*HEADER    METAL BINDING PROTEIN                   22-DEC-06   2ODD              
*TITLE     SOLUTION STRUCTURE OF THE MYND DOMAIN FROM AML1-ETO                   
*TITLE    2 COMPLEXED WITH SMRT, A COREPRESSOR                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SMRT;                                                      
*COMPND   3 CHAIN: B;                                                            
*COMPND   4 FRAGMENT: SMRT (RESIDUES 1101-1113);                                 
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: PROTEIN CBFA2T1;                                           
*COMPND   8 CHAIN: A;                                                            
*COMPND   9 FRAGMENT: MYND DOMAIN (AML1-ETO, RESIDUES 658-707);                  
*COMPND  10 SYNONYM: PROTEIN MTG8, PROTEIN ETO, EIGHT TWENTY ONE                 
*COMPND  11 PROTEIN, CYCLIN-D-RELATED PROTEIN, ZINC FINGER MYND DOMAIN-          
*COMPND  12 CONTAINING PROTEIN 2;                                                
*COMPND  13 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: SMRT;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL-21;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX4T3;                                  
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  13 GENE: AML1-ETO;                                                      
*SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  15 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  16 EXPRESSION_SYSTEM_STRAIN: BL-21;                                     
*SOURCE  17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PGEX4T3                                   
*KEYWDS    MYND ZINC FINGER, CROSS-BRACED TOPOLOGY, POLY-PROLINE,                
*KEYWDS   2 PROLINE-TRYPTOPHAN INTERACTION                                       
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    Y.Z.LIU, W.CHEN, J.GAUDET, M.D.CHENEY, L.ROUDAIA,                     
*AUTHOR   2 T.CIERPICKI, R.C.KLET, K.HARTMAN, T.M.LAUE, N.A.SPECK,               
*AUTHOR   3 J.H.BUSHWELLER                                                       
*REVDAT   1   19-JUN-07 2ODD    0                                                


DISnDIH_restraints/0000775000076400007640000000000010542343160013124 5ustar  oubaoubaDISnDIH_restraints/noe.tbl0000664000076400007640000056111310542342464014425 0ustar  oubaoubaassign ((segid B and residue 18 and name HD#)) ((segid B and residue 17 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 18 and name HD#)) ((segid B and residue 17 and name HD#)) 6 4.2 0 
assign ((segid B and residue 18 and name HD#)) ((segid B and residue 18 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 18 and name HD#)) ((segid B and residue 18 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 18 and name HD#)) ((segid B and residue 18 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 18 and name HD#)) ((segid B and residue 18 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 27 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 28 and name HE1)) 2.7 0.9 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 28 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 44 and name HB#)) 6 4.2 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HD1)) ((segid A and residue 45 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 28 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 28 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 43 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 44 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 62 and name HD1#)) 4 2.2 0 
! assign ((segid A and residue 28 and name HE3)) ((segid A and residue 62 and name HG2#)) 6.5 4.2 0 !+0
assign ((segid A and residue 28 and name HH2)) ((segid A and residue 43 and name HG2#)) 3.2 1.4 0 
assign ((segid A and residue 28 and name HH2)) ((segid A and residue 44 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HH2)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 28 and name HH2)) ((segid A and residue 62 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 28 and name HH2)) ((segid A and residue 62 and name HG2#)) 5.5 4.2 0 !+2
assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 28 and name HE1)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 43 and name HG2#)) 3.2 1.4 0 
assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 44 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 44 and name HB#)) 5.5 4.2 0 !+2
assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 62 and name HD1#)) 6 4.2 0 
! assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 62 and name HG2#)) 6.5 4.2 0 !+0
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 28 and name HE3)) 2.7 0.9 0 
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 43 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 44 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 62 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 46 and name HD#)) ((segid B and residue 9 and name HD#)) 3.2 1.4 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HE#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 46 and name HD#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 29 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HE#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 47 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 53 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 38 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 38 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 38 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 44 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 29 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 44 and name HB#)) 6 4.2 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 52 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 53 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 55 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 55 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 55 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid A and residue 53 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid A and residue 53 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid A and residue 53 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid A and residue 56 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HE1)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HE1)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HE1)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HE1)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HE1)) ((segid A and residue 53 and name HA)) 6 4.2 0 !+0.5
assign ((segid A and residue 56 and name HD1)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid A and residue 53 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid A and residue 56 and name HE1)) 2.7 0.9 0 
assign ((segid A and residue 56 and name HD1)) ((segid A and residue 56 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid A and residue 56 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid A and residue 57 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE3)) ((segid A and residue 56 and name HZ3)) 2.7 0.9 0 
assign ((segid A and residue 56 and name HH2)) ((segid B and residue 6 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HH2)) ((segid B and residue 7 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HH2)) ((segid A and residue 60 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HH2)) ((segid A and residue 60 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid B and residue 4 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid B and residue 6 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid B and residue 7 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid A and residue 56 and name HE1)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 56 and name HZ2)) ((segid A and residue 60 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid A and residue 60 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ3)) ((segid A and residue 56 and name HE3)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HZ3)) ((segid A and residue 63 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ3)) ((segid A and residue 63 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 28 and name HH2)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 28 and name HZ3)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 44 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 44 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 44 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 62 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 62 and name HG2#)) 5.5 4.2 0 !+2
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 63 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 56 and name HZ2)) 5.5 3.7 0 !+2
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 57 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 57 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 60 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 60 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 60 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 60 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HE1)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 60 and name HE1)) ((segid A and residue 57 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 60 and name HE1)) ((segid A and residue 57 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HE1)) ((segid A and residue 57 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HE1)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 58 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 58 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 58 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 58 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 61 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 61 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 61 and name HN)) 5.5 3.7 0 
! assign ((segid A and residue 61 and name HD2)) ((segid A and residue 62 and name HG2#)) 6.5 4.2 0 !+0
assign ((segid A and residue 61 and name HE1)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HA)) ((segid B and residue 3 and name HG1#)) 3.5 1.7 0 
assign ((segid B and residue 3 and name HA)) ((segid B and residue 3 and name HG1#)) 3.5 1.7 0 
assign ((segid B and residue 3 and name HA)) ((segid B and residue 3 and name HG2#)) 3.2 1.4 0 
assign ((segid B and residue 3 and name HA)) ((segid B and residue 4 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 3 and name HA)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HG1#)) ((segid B and residue 3 and name HB)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HG1#)) ((segid B and residue 3 and name HB)) 3.5 1.7 0 
assign ((segid B and residue 3 and name HG1#)) ((segid B and residue 3 and name HD1#)) 3.2 1.4 0 
assign ((segid B and residue 4 and name HA)) ((segid B and residue 3 and name HG2#)) 6 4.2 0 
assign ((segid B and residue 4 and name HA)) ((segid B and residue 4 and name HN)) 3.5 1.7 0 !+0.8
assign ((segid B and residue 4 and name HB#)) ((segid B and residue 4 and name HN)) 2.7 0.9 0 
assign ((segid B and residue 4 and name HB#)) ((segid A and residue 56 and name HE1)) 3.5 1.7 0 
assign ((segid B and residue 4 and name HB#)) ((segid A and residue 56 and name HZ2)) 3.5 1.7 0 
assign ((segid B and residue 5 and name HA)) ((segid B and residue 5 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 5 and name HA)) ((segid B and residue 5 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 5 and name HA)) ((segid B and residue 6 and name HD#)) 2.7 0.9 0 
assign ((segid B and residue 5 and name HA)) ((segid B and residue 6 and name HD#)) 2.7 0.9 0 
assign ((segid B and residue 5 and name HA)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HA)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HA)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HA)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid B and residue 5 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid B and residue 5 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid B and residue 5 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid B and residue 5 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid B and residue 6 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid B and residue 6 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid B and residue 6 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HA)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HA)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HA)) ((segid B and residue 7 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HA)) ((segid A and residue 56 and name HH2)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HB#)) ((segid B and residue 7 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HB#)) ((segid B and residue 7 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HB#)) ((segid A and residue 56 and name HZ3)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HB#)) ((segid A and residue 56 and name HZ3)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 5 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 5 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 5 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 5 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 5 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 5 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 6 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 6 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 6 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid B and residue 6 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid B and residue 6 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid B and residue 6 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid A and residue 53 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HA)) ((segid B and residue 7 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HA)) ((segid B and residue 7 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HA)) ((segid B and residue 7 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HA)) ((segid B and residue 8 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HA)) ((segid B and residue 8 and name HD#)) 2.7 0.9 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 7 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 7 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 7 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 7 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 8 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 8 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 8 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid B and residue 8 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid A and residue 40 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid A and residue 40 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 6 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 6 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 6 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 7 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 7 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid B and residue 7 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid A and residue 56 and name HH2)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HD#)) ((segid A and residue 56 and name HH2)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid B and residue 7 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid B and residue 7 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid B and residue 7 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid B and residue 7 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid A and residue 40 and name HA#)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid A and residue 40 and name HA#)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid A and residue 40 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid A and residue 40 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid A and residue 41 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HG#)) ((segid A and residue 56 and name HH2)) 5.5 3.7 0 !+2
assign ((segid B and residue 7 and name HG#)) ((segid A and residue 56 and name HH2)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HA)) ((segid B and residue 8 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HA)) ((segid B and residue 8 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HA)) ((segid B and residue 9 and name HN)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid B and residue 8 and name HA)) ((segid A and residue 52 and name HE21)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 7 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 7 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HD#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HG#)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 8 and name HG#)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 9 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid B and residue 9 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 7 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 7 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 7 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 7 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 7 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 7 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid B and residue 8 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HG#)) ((segid B and residue 7 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HG#)) ((segid B and residue 8 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 8 and name HG#)) ((segid B and residue 8 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HG#)) ((segid B and residue 8 and name HD#)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HG#)) ((segid B and residue 8 and name HD#)) 2.7 0.9 0 
assign ((segid B and residue 8 and name HG#)) ((segid B and residue 9 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HG#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HG#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HG#)) ((segid A and residue 40 and name HA#)) 5.5 3.7 0 !+2
assign ((segid B and residue 9 and name HA)) ((segid B and residue 9 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 9 and name HA)) ((segid B and residue 9 and name HD#)) 3.2 1.4 0 
assign ((segid B and residue 9 and name HA)) ((segid B and residue 10 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 9 and name HB#)) ((segid B and residue 9 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 9 and name HB#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid B and residue 9 and name HB#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid B and residue 9 and name HB#)) ((segid B and residue 10 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 9 and name HD#)) ((segid B and residue 9 and name HA)) 3.2 1.4 0 
assign ((segid B and residue 9 and name HD#)) ((segid B and residue 9 and name HB#)) 3.2 1.4 0 
assign ((segid B and residue 9 and name HD#)) ((segid B and residue 9 and name HG)) 3.2 1.4 0 
assign ((segid B and residue 9 and name HD#)) ((segid B and residue 10 and name HN)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 36 and name HB#)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 36 and name HB#)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 36 and name HG#)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 37 and name HA)) 6 4.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 37 and name HN)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 38 and name HA)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 39 and name HN)) 6 4.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 46 and name HB#)) 6 4.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 46 and name HD#)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 46 and name HE#)) 6 4.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 48 and name HN)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 52 and name HE22)) 6 4.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 53 and name HN)) 6 4.2 0 
assign ((segid B and residue 9 and name HG)) ((segid B and residue 9 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 9 and name HG)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid B and residue 10 and name HA)) ((segid B and residue 10 and name HB)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HA)) ((segid B and residue 10 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HA)) ((segid B and residue 11 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HB)) ((segid B and residue 10 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HB)) ((segid B and residue 10 and name HG1#)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HB)) ((segid B and residue 10 and name HG1#)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HB)) ((segid B and residue 10 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HB)) ((segid B and residue 10 and name HD1#)) 4 2.2 0 
assign ((segid B and residue 10 and name HB)) ((segid B and residue 10 and name HG2#)) 3.2 1.4 0 
assign ((segid B and residue 10 and name HB)) ((segid B and residue 11 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HB)) ((segid A and residue 37 and name HB)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HB)) ((segid A and residue 37 and name HN)) 5.5 3.7 0 !+2
assign ((segid B and residue 10 and name HD1#)) ((segid B and residue 10 and name HA)) 5.5 4.2 0 !+2
assign ((segid B and residue 10 and name HD1#)) ((segid B and residue 10 and name HB)) 3.2 1.4 0 
assign ((segid B and residue 10 and name HD1#)) ((segid B and residue 10 and name HG1#)) 3.2 1.4 0 
assign ((segid B and residue 10 and name HD1#)) ((segid B and residue 10 and name HN)) 4 2.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid B and residue 11 and name HN)) 6 4.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid B and residue 12 and name HN)) 6 4.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 37 and name HB)) 4 2.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 39 and name HA)) 3.2 1.4 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 39 and name HB#)) 4 2.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 39 and name HB#)) 4 2.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 39 and name HN)) 4 2.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 42 and name HD2#)) 6 4.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 42 and name HD2#)) 6 4.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 42 and name HN)) 6 4.2 0 
assign ((segid B and residue 10 and name HG1#)) ((segid B and residue 10 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HG1#)) ((segid B and residue 10 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HG1#)) ((segid A and residue 37 and name HB)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HG1#)) ((segid A and residue 39 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HG1#)) ((segid A and residue 39 and name HB#)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HG2#)) ((segid B and residue 10 and name HA)) 3.2 1.4 0 
assign ((segid B and residue 10 and name HG2#)) ((segid B and residue 10 and name HB)) 3.2 1.4 0 
assign ((segid B and residue 10 and name HG2#)) ((segid B and residue 10 and name HN)) 4 2.2 0 
assign ((segid B and residue 10 and name HG2#)) ((segid B and residue 11 and name HN)) 4 2.2 0 
assign ((segid B and residue 10 and name HG2#)) ((segid A and residue 37 and name HB)) 5.5 4.2 0 !+2
assign ((segid B and residue 10 and name HG2#)) ((segid A and residue 39 and name HA)) 4 2.2 0 
assign ((segid B and residue 10 and name HG2#)) ((segid A and residue 39 and name HB#)) 3.2 1.4 0 
assign ((segid B and residue 10 and name HG2#)) ((segid A and residue 39 and name HB#)) 4 2.2 0 
assign ((segid B and residue 10 and name HG2#)) ((segid A and residue 39 and name HG)) 6 4.2 0 
assign ((segid B and residue 10 and name HG2#)) ((segid A and residue 39 and name HN)) 4 2.2 0 
assign ((segid B and residue 11 and name HA)) ((segid B and residue 11 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 11 and name HA)) ((segid B and residue 12 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 11 and name HB#)) ((segid B and residue 10 and name HB)) 5.5 3.7 0 
assign ((segid B and residue 11 and name HB#)) ((segid B and residue 10 and name HG2#)) 6 4.2 0 
assign ((segid B and residue 11 and name HB#)) ((segid B and residue 11 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 11 and name HB#)) ((segid B and residue 12 and name HN)) 5.5 3.7 0 !+2
assign ((segid B and residue 11 and name HB#)) ((segid B and residue 13 and name HB#)) 4 2.2 0 
assign ((segid B and residue 11 and name HB#)) ((segid A and residue 35 and name HA)) 5.5 3.7 0 !+2
assign ((segid B and residue 11 and name HB#)) ((segid A and residue 36 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 11 and name HB#)) ((segid A and residue 36 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 11 and name HB#)) ((segid A and residue 37 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 12 and name HA)) ((segid B and residue 12 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 12 and name HA)) ((segid B and residue 12 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 12 and name HA)) ((segid B and residue 13 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 12 and name HB#)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid B and residue 12 and name HB#)) ((segid B and residue 10 and name HG2#)) 5.5 4.2 0 !+2
assign ((segid B and residue 12 and name HB#)) ((segid B and residue 12 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 12 and name HB#)) ((segid B and residue 12 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 12 and name HB#)) ((segid B and residue 13 and name HB#)) 6 4.2 0 
assign ((segid B and residue 13 and name HA)) ((segid B and residue 13 and name HB#)) 3.2 1.4 0 
assign ((segid B and residue 13 and name HA)) ((segid B and residue 14 and name HN)) 2.7 0.9 0 
assign ((segid B and residue 13 and name HB#)) ((segid B and residue 11 and name HB#)) 6 4.2 0 
assign ((segid B and residue 13 and name HB#)) ((segid B and residue 12 and name HB#)) 6 4.2 0 
assign ((segid B and residue 13 and name HB#)) ((segid B and residue 13 and name HA)) 3.2 1.4 0 
assign ((segid B and residue 13 and name HB#)) ((segid B and residue 13 and name HN)) 4 2.2 0 
assign ((segid B and residue 14 and name HA)) ((segid B and residue 14 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 14 and name HA)) ((segid B and residue 14 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HA)) ((segid B and residue 14 and name HG#)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HA)) ((segid B and residue 15 and name HN)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HB#)) ((segid B and residue 13 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 14 and name HB#)) ((segid B and residue 14 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 14 and name HB#)) ((segid B and residue 14 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 14 and name HB#)) ((segid B and residue 14 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 14 and name HB#)) ((segid B and residue 14 and name HG#)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HB#)) ((segid B and residue 14 and name HG#)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HD#)) ((segid B and residue 14 and name HE#)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HE#)) ((segid B and residue 14 and name HG#)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HG#)) ((segid B and residue 14 and name HE#)) 2.7 0.9 0 
assign ((segid B and residue 16 and name HA)) ((segid B and residue 16 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 16 and name HA)) ((segid B and residue 16 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 16 and name HA)) ((segid B and residue 16 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 16 and name HA)) ((segid B and residue 17 and name HN)) 2.7 0.9 0 
assign ((segid B and residue 16 and name HB#)) ((segid B and residue 16 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 16 and name HB#)) ((segid B and residue 16 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 16 and name HB#)) ((segid B and residue 16 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 16 and name HB#)) ((segid B and residue 16 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 16 and name HB#)) ((segid B and residue 17 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 17 and name HA)) ((segid B and residue 17 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 17 and name HA)) ((segid B and residue 17 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 17 and name HA)) ((segid B and residue 17 and name HD#)) 3.2 1.4 0 
assign ((segid B and residue 17 and name HA)) ((segid B and residue 18 and name HN)) 2.7 0.9 0 
assign ((segid B and residue 17 and name HB#)) ((segid B and residue 17 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 17 and name HB#)) ((segid B and residue 17 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 17 and name HB#)) ((segid B and residue 17 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 17 and name HB#)) ((segid B and residue 17 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 17 and name HD1#)) ((segid B and residue 17 and name HA)) 3.2 1.4 0 
assign ((segid B and residue 17 and name HD1#)) ((segid B and residue 17 and name HB#)) 3.2 1.4 0 
assign ((segid B and residue 17 and name HD1#)) ((segid B and residue 17 and name HN)) 4 2.2 0 
assign ((segid B and residue 18 and name HA)) ((segid B and residue 18 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 18 and name HA)) ((segid B and residue 18 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 18 and name HA)) ((segid B and residue 18 and name HN)) 3.5 1.7 0 !+0.8
assign ((segid B and residue 18 and name HB#)) ((segid B and residue 18 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 18 and name HB#)) ((segid B and residue 18 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 18 and name HB#)) ((segid B and residue 18 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 18 and name HB#)) ((segid B and residue 18 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 19 and name HA)) ((segid B and residue 19 and name HN)) 3.5 1.7 0 
assign ((segid B and residue 19 and name HA)) ((segid B and residue 19 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 19 and name HA)) ((segid B and residue 19 and name HD#)) 3.5 1.7 0 
assign ((segid B and residue 19 and name HA)) ((segid B and residue 20 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 21 and name HA#)) ((segid A and residue 21 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 21 and name HA#)) ((segid A and residue 21 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 21 and name HA#)) ((segid A and residue 22 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 22 and name HA)) ((segid A and residue 22 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 22 and name HA)) ((segid A and residue 22 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 22 and name HA)) ((segid A and residue 23 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 22 and name HB#)) ((segid A and residue 22 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 22 and name HB#)) ((segid A and residue 22 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 24 and name HA)) ((segid A and residue 24 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 24 and name HA)) ((segid A and residue 24 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 24 and name HA)) ((segid A and residue 25 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 25 and name HA)) ((segid A and residue 26 and name HN)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 25 and name HA)) ((segid A and residue 45 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 25 and name HA)) ((segid A and residue 45 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 25 and name HG#)) ((segid A and residue 25 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 25 and name HG#)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 26 and name HA)) ((segid A and residue 26 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 26 and name HA)) ((segid A and residue 27 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 26 and name HA)) ((segid A and residue 34 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HA)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 26 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 26 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 31 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 33 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 34 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 27 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 27 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 28 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 46 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 47 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 27 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 31 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 31 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 34 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 34 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 47 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HB#)) ((segid A and residue 47 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 28 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 28 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 28 and name HD1)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 28 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 28 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 29 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 29 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 29 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 29 and name HD21)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 29 and name HD22)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 29 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 30 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 54 and name HE#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 54 and name HE#)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HA)) ((segid A and residue 29 and name HD21)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HA)) ((segid A and residue 29 and name HD22)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HA)) ((segid A and residue 30 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HA)) ((segid A and residue 30 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HA)) ((segid A and residue 30 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 50 and name HE#) OR (segid A and residue 50 and name HD#) OR (segid A and residue 50 and name HZ#)) ((segid A and residue 30 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 30 and name HB#)) ((segid A and residue 29 and name HD21)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HB#)) ((segid A and residue 29 and name HD21)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HB#)) ((segid A and residue 29 and name HD22)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HB#)) ((segid A and residue 30 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HB#)) ((segid A and residue 30 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HB#)) ((segid A and residue 30 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HB#)) ((segid A and residue 30 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 31 and name HA#)) ((segid A and residue 31 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HA)) ((segid A and residue 26 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HA)) ((segid A and residue 26 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 33 and name HA)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HA)) ((segid A and residue 33 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HA)) ((segid A and residue 33 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HA)) ((segid A and residue 34 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 33 and name HA)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 33 and name HD#)) ((segid A and residue 33 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HD#)) ((segid A and residue 33 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 33 and name HD#)) ((segid A and residue 34 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HE#)) ((segid A and residue 33 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 33 and name HE#)) ((segid A and residue 33 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 33 and name HE#)) ((segid A and residue 34 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 33 and name HG#)) ((segid A and residue 33 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HG#)) ((segid A and residue 33 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HG#)) ((segid A and residue 33 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HG#)) ((segid A and residue 33 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HG#)) ((segid A and residue 34 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 33 and name HG#)) ((segid A and residue 34 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 34 and name HA)) ((segid A and residue 34 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 34 and name HA)) ((segid A and residue 34 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 34 and name HA)) ((segid A and residue 35 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 34 and name HA)) ((segid A and residue 36 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HA)) ((segid A and residue 47 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 34 and name HA)) ((segid A and residue 47 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HA)) ((segid A and residue 47 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 26 and name HA)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 26 and name HB#)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 27 and name HA)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 27 and name HB#)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 27 and name HB#)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 27 and name HN)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 28 and name HN)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 34 and name HA)) 3.2 1.4 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 34 and name HN)) 3.2 1.4 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 36 and name HN)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 45 and name HA)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 45 and name HB#)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 45 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 45 and name HE)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 46 and name HA)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 47 and name HA)) 4 2.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 47 and name HB#)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 47 and name HN)) 6 4.2 0 
assign ((segid A and residue 35 and name HA)) ((segid B and residue 11 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 35 and name HA)) ((segid A and residue 35 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 35 and name HA)) ((segid A and residue 35 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 35 and name HA)) ((segid A and residue 36 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 35 and name HB#)) ((segid A and residue 35 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 35 and name HB#)) ((segid A and residue 35 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 35 and name HB#)) ((segid A and residue 35 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 35 and name HB#)) ((segid A and residue 35 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 35 and name HB#)) ((segid A and residue 36 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 35 and name HB#)) ((segid A and residue 36 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 36 and name HA)) ((segid B and residue 11 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HA)) ((segid B and residue 11 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HA)) ((segid B and residue 12 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HA)) ((segid A and residue 36 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 36 and name HA)) ((segid A and residue 36 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 36 and name HA)) ((segid A and residue 36 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HA)) ((segid A and residue 37 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HB#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 36 and name HB#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 36 and name HB#)) ((segid A and residue 36 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HB#)) ((segid A and residue 36 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 36 and name HG#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 36 and name HG#)) ((segid B and residue 12 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid B and residue 12 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 36 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 36 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 36 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 36 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 37 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 37 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 48 and name HA#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 48 and name HA#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HG#)) ((segid A and residue 48 and name HA#)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 37 and name HB)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 37 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 38 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 45 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 45 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 45 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HB)) ((segid B and residue 10 and name HB)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HB)) ((segid B and residue 10 and name HG1#)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HB)) ((segid B and residue 10 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 37 and name HB)) ((segid A and residue 37 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HB)) ((segid A and residue 37 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HB)) ((segid A and residue 37 and name HG2#)) 3.2 1.4 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 37 and name HA)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 37 and name HB)) 3.2 1.4 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 37 and name HN)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 38 and name HA)) 6 4.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 38 and name HB#)) 6 4.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 38 and name HN)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 39 and name HA)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 41 and name HN)) 6 4.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 42 and name HA)) 3.2 1.4 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 42 and name HB#)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 42 and name HB#)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 42 and name HD2#)) 6 4.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 42 and name HD2#)) 6 4.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 42 and name HN)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 43 and name HN)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 44 and name HN)) 6 4.2 0 
! assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 44 and name HB#)) 6.5 4.7 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 45 and name HA)) 4 2.2 0 
assign ((segid A and residue 37 and name HG2#)) ((segid A and residue 45 and name HD#)) 4 2.2 0 
assign ((segid A and residue 38 and name HA)) ((segid B and residue 9 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HA)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 38 and name HA)) ((segid A and residue 38 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HA)) ((segid A and residue 38 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HA)) ((segid A and residue 38 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HA)) ((segid A and residue 39 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HA)) ((segid A and residue 44 and name HB#)) 6 4.2 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 37 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 37 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 38 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 38 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 44 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 44 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HA)) ((segid B and residue 10 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 39 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 39 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 39 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 40 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 41 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 42 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HB#)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 39 and name HB#)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 39 and name HB#)) ((segid B and residue 10 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 39 and name HB#)) ((segid B and residue 10 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 39 and name HB#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HB#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HB#)) ((segid A and residue 39 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid B and residue 7 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid B and residue 7 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid B and residue 7 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid B and residue 8 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid B and residue 8 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid A and residue 40 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid A and residue 40 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid A and residue 41 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HA#)) ((segid A and residue 41 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HA)) ((segid A and residue 41 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HA)) ((segid A and residue 41 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 41 and name HA)) ((segid A and residue 41 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HA)) ((segid A and residue 42 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HA)) ((segid A and residue 64 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 41 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 41 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 41 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 41 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 64 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 64 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HA)) ((segid B and residue 10 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 42 and name HA)) ((segid A and residue 41 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HA)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HA)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HA)) ((segid A and residue 42 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 42 and name HA)) ((segid A and residue 43 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 42 and name HB#)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HD2#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HD2#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HD2#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HD2#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HA)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 43 and name HA)) ((segid A and residue 42 and name HD2#)) 6 4.2 0 !+0.5
assign ((segid A and residue 43 and name HA)) ((segid A and residue 43 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HA)) ((segid A and residue 43 and name HG2#)) 3.2 1.4 0 
assign ((segid A and residue 43 and name HA)) ((segid A and residue 44 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HA)) ((segid A and residue 44 and name HB#)) 6 4.2 0 
assign ((segid A and residue 43 and name HB)) ((segid A and residue 43 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HB)) ((segid A and residue 44 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 28 and name HE1)) 6 4.2 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 28 and name HH2)) 3.2 1.4 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 28 and name HZ2)) 3.2 1.4 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 41 and name HB#)) 5.5 4.2 0 !+2
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 43 and name HA)) 3.2 1.4 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 43 and name HB)) 3.2 1.4 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 43 and name HN)) 4 2.2 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 44 and name HN)) 4 2.2 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 44 and name HB#)) 4.5 2.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 28 and name HE1)) 3.5 1.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 28 and name HH2)) 5.5 3.7 0 !+2
assign ((segid A and residue 44 and name HA)) ((segid A and residue 28 and name HZ2)) 3.5 1.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 44 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 44 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 45 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HB#)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HB#)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HE1)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HE3)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HH2)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HZ2)) 6 4.2 0 
! assign ((segid A and residue 44 and name HB#)) ((segid A and residue 37 and name HG2#)) 6.5 4.7 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 38 and name HA)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 38 and name HB#)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 38 and name HB#)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 38 and name HN)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 43 and name HG2#)) 4.5 2.7 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 44 and name HA)) 3.2 1.4 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 44 and name HN)) 3.2 1.4 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 45 and name HN)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 46 and name HD#)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 46 and name HE#)) 4 2.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 59 and name HE1)) 4 2.2 0 
assign ((segid A and residue 45 and name HA)) ((segid A and residue 37 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HA)) ((segid A and residue 46 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 28 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 28 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 45 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 45 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 45 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 45 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 45 and name HD#)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 46 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 46 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 25 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 25 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 37 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 37 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HE)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 45 and name HE)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 46 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HD#)) ((segid A and residue 46 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 25 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 28 and name HE1)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 37 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 45 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 45 and name HE)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 45 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 45 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 45 and name HG#)) ((segid A and residue 46 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 27 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 27 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 28 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 46 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 46 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 46 and name HD#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 46 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 47 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 48 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 46 and name HB#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 48 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 48 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HA)) ((segid A and residue 34 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HA)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 47 and name HA)) ((segid A and residue 47 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HA)) ((segid A and residue 47 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HA)) ((segid A and residue 47 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 27 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 34 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 34 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 47 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 47 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 47 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HB#)) ((segid A and residue 47 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HA#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 48 and name HA#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 48 and name HA#)) ((segid A and residue 36 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HA#)) ((segid A and residue 48 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HA#)) ((segid A and residue 48 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 49 and name HA)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 49 and name HA)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 49 and name HA)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 49 and name HA)) ((segid A and residue 52 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 49 and name HB#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 50 and name HA)) ((segid A and residue 50 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 50 and name HA)) ((segid A and residue 50 and name HD#)) 5.5 3.7 0 !+2
assign ((segid A and residue 50 and name HA)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 50 and name HA)) ((segid A and residue 53 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 50 and name HB#)) ((segid A and residue 50 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 50 and name HB#)) ((segid A and residue 50 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 50 and name HB#)) ((segid A and residue 50 and name HD#)) 3.5 1.7 0 
assign ((segid A and residue 50 and name HB#)) ((segid A and residue 50 and name HD#)) 3.5 1.7 0 
assign ((segid A and residue 50 and name HB#)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 50 and name HB#)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 29 and name HD21)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 29 and name HD22)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 50 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 51 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 51 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 52 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 54 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 54 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 54 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 54 and name HG#)) 5.5 3.7 0 !+2
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 46 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 48 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 48 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 51 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 51 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 52 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 52 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 52 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 52 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 52 and name HE22)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 52 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 53 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 55 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HB#)) ((segid A and residue 52 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HG#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HG#)) ((segid A and residue 52 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HG#)) ((segid A and residue 52 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HG#)) ((segid A and residue 52 and name HE22)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HA)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 53 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 53 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 54 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 56 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 56 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HB#)) ((segid A and residue 50 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HB#)) ((segid A and residue 53 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HB#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HB#)) ((segid A and residue 53 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HB#)) ((segid A and residue 54 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HA)) ((segid A and residue 54 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 54 and name HA)) ((segid A and residue 54 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 54 and name HA)) ((segid A and residue 54 and name HE#)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HA)) ((segid A and residue 54 and name HE#)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HA)) ((segid A and residue 54 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HA)) ((segid A and residue 54 and name HG#)) 2.7 0.9 0 
assign ((segid A and residue 54 and name HA)) ((segid A and residue 55 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 29 and name HD22)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 29 and name HD22)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 51 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 54 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 54 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 54 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 54 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 54 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 55 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 55 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HD#)) ((segid A and residue 54 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HD#)) ((segid A and residue 54 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HG#)) ((segid A and residue 54 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HG#)) ((segid A and residue 54 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HA)) ((segid A and residue 55 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HA)) ((segid A and residue 55 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HA)) ((segid A and residue 55 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 55 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 55 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 55 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HA)) ((segid A and residue 56 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HA)) ((segid A and residue 56 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HA)) ((segid A and residue 59 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HB#)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HB#)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HB#)) ((segid A and residue 56 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HA)) ((segid B and residue 3 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 57 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 57 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 57 and name HG#)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 57 and name HA)) ((segid A and residue 58 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 57 and name HA)) ((segid A and residue 60 and name HD2)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HB#)) ((segid A and residue 57 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HB#)) ((segid A and residue 57 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 57 and name HB#)) ((segid A and residue 58 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 57 and name HA)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 57 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 58 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 58 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 58 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 58 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 58 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 58 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 58 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 59 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 61 and name HD2)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HB#)) ((segid A and residue 58 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HB#)) ((segid A and residue 58 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HB#)) ((segid A and residue 58 and name HE#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HB#)) ((segid A and residue 58 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HB#)) ((segid A and residue 58 and name HG#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HB#)) ((segid A and residue 59 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HD#)) ((segid A and residue 58 and name HE#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HD#)) ((segid A and residue 58 and name HG#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 55 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 57 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 57 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 58 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 58 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 58 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 58 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HE#)) ((segid A and residue 58 and name HG#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 57 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 57 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HE#)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 58 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 59 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 59 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 59 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 60 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 59 and name HA)) ((segid A and residue 62 and name HB)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 62 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 62 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 62 and name HG1#)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 59 and name HB#)) ((segid A and residue 56 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HB#)) ((segid A and residue 56 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HB#)) ((segid A and residue 59 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HB#)) ((segid A and residue 59 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 56 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 56 and name HH2)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 60 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 60 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 60 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 63 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 63 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 56 and name HZ2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 60 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 60 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 60 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 60 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HA)) ((segid A and residue 61 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 61 and name HA)) ((segid A and residue 61 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 61 and name HA)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HA)) ((segid A and residue 61 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HA)) ((segid A and residue 62 and name HN)) 3.5 1.7 0 
! assign ((segid A and residue 61 and name HA)) ((segid A and residue 62 and name HG2#)) 6.5 4.2 0 !+0
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 61 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 61 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 61 and name HD2)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 61 and name HD2)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 61 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 61 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 62 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 62 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 62 and name HA)) ((segid A and residue 62 and name HB)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 62 and name HA)) ((segid A and residue 62 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HA)) ((segid A and residue 62 and name HD1#)) 4 2.2 0 
assign ((segid A and residue 62 and name HA)) ((segid A and residue 62 and name HG1#)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HA)) ((segid A and residue 62 and name HG2#)) 3.2 1.4 0 
assign ((segid A and residue 62 and name HB)) ((segid A and residue 62 and name HA)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 62 and name HB)) ((segid A and residue 62 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 62 and name HB)) ((segid A and residue 62 and name HD1#)) 3.2 1.4 0 
assign ((segid A and residue 62 and name HB)) ((segid A and residue 62 and name HD1#)) 3.2 1.4 0 
assign ((segid A and residue 62 and name HB)) ((segid A and residue 62 and name HG1#)) 2.7 0.9 0 
assign ((segid A and residue 62 and name HB)) ((segid A and residue 62 and name HG2#)) 3.2 1.4 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 28 and name HE3)) 4 2.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 28 and name HH2)) 4 2.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 28 and name HZ2)) 6 4.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 28 and name HZ3)) 4 2.2 0 
! assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 44 and name HB#)) 6.5 4.7 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 59 and name HA)) 4 2.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 59 and name HE1)) 4 2.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 60 and name HA)) 6 4.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 62 and name HA)) 4 2.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 62 and name HB)) 3.2 1.4 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 62 and name HN)) 6 4.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 63 and name HA)) 6 4.2 0 
assign ((segid A and residue 62 and name HG1#)) ((segid A and residue 59 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HG1#)) ((segid A and residue 59 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HG1#)) ((segid A and residue 62 and name HB)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HG1#)) ((segid A and residue 62 and name HB)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HG1#)) ((segid A and residue 62 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HG1#)) ((segid A and residue 62 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 59 and name HE1)) 6 4.2 0 
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 61 and name HB#)) 5.5 4.2 0 !+2
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 61 and name HB#)) 5.5 4.2 0 !+2
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 61 and name HN)) 6 4.2 0 
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 62 and name HA)) 3.2 1.4 0 
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 62 and name HB)) 3.2 1.4 0 
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 62 and name HN)) 6 4.2 0 
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 63 and name HN)) 5.5 4.2 0 !+2
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 64 and name HN)) 6 4.2 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 41 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 41 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 56 and name HZ3)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 60 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 62 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 63 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 63 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 63 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 64 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 56 and name HZ3)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 56 and name HZ3)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 60 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 60 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 63 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 63 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 63 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 63 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 64 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 64 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 41 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 41 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 41 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 41 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 41 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 41 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 64 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 64 and name HA#)) ((segid A and residue 64 and name HN)) 2.7 0.9 0 
assign ((segid B and residue 3 and name HN)) ((segid B and residue 3 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 3 and name HN)) ((segid B and residue 3 and name HB)) 3.5 1.7 0 
assign ((segid B and residue 3 and name HN)) ((segid B and residue 3 and name HG1#)) 3.5 1.7 0 
assign ((segid B and residue 3 and name HN)) ((segid B and residue 3 and name HG1#)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HN)) ((segid B and residue 3 and name HG2#)) 4 2.2 0 
assign ((segid B and residue 4 and name HN)) ((segid B and residue 3 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 4 and name HN)) ((segid B and residue 3 and name HB)) 3.5 1.7 0 
assign ((segid B and residue 4 and name HN)) ((segid B and residue 4 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 4 and name HN)) ((segid B and residue 4 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 8 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 8 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 8 and name HG#)) 5.5 3.7 0 !+2
assign ((segid B and residue 9 and name HN)) ((segid B and residue 9 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 9 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 9 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 10 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 9 and name HN)) ((segid A and residue 49 and name HB#)) 6 4.2 0 !+0.5
assign ((segid B and residue 10 and name HN)) ((segid B and residue 9 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 9 and name HB#)) 3.5 1.7 0 !+0.8
assign ((segid B and residue 10 and name HN)) ((segid B and residue 9 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 10 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 10 and name HB)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 10 and name HG1#)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 10 and name HG1#)) 3.5 1.7 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 10 and name HG2#)) 4 2.2 0 
assign ((segid B and residue 10 and name HN)) ((segid A and residue 37 and name HB)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HN)) ((segid A and residue 38 and name HA)) 5.5 3.7 0 
assign ((segid B and residue 10 and name HN)) ((segid A and residue 39 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 11 and name HN)) ((segid B and residue 10 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 11 and name HN)) ((segid B and residue 10 and name HB)) 3.5 1.7 0 
assign ((segid B and residue 11 and name HN)) ((segid B and residue 10 and name HG1#)) 5.5 3.7 0 
assign ((segid B and residue 11 and name HN)) ((segid B and residue 10 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 11 and name HN)) ((segid B and residue 10 and name HG2#)) 4 2.2 0 
assign ((segid B and residue 11 and name HN)) ((segid B and residue 11 and name HB#)) 3.5 1.7 0 
! assign ((segid B and residue 12 and name HN)) ((segid B and residue 10 and name HG2#)) 6.5 4.2 0 !+0
assign ((segid B and residue 12 and name HN)) ((segid B and residue 11 and name HN)) 5.5 3.7 0 !+2
assign ((segid B and residue 12 and name HN)) ((segid B and residue 11 and name HB#)) 5.5 3.7 0 !+2
assign ((segid B and residue 12 and name HN)) ((segid B and residue 12 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 12 and name HN)) ((segid B and residue 12 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 12 and name HN)) ((segid B and residue 13 and name HB#)) 6 4.2 0 
assign ((segid B and residue 12 and name HN)) ((segid A and residue 36 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 12 and name HN)) ((segid A and residue 36 and name HG#)) 5.5 3.7 0 
assign ((segid B and residue 12 and name HN)) ((segid A and residue 37 and name HN)) 5.5 3.7 0 
assign ((segid B and residue 13 and name HN)) ((segid B and residue 12 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 13 and name HN)) ((segid B and residue 12 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 13 and name HN)) ((segid B and residue 13 and name HB#)) 4 2.2 0 
assign ((segid B and residue 14 and name HN)) ((segid B and residue 13 and name HB#)) 4 2.2 0 
assign ((segid B and residue 14 and name HN)) ((segid B and residue 14 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 14 and name HN)) ((segid B and residue 14 and name HG#)) 3.5 1.7 0 
assign ((segid B and residue 15 and name HN)) ((segid B and residue 14 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 16 and name HN)) ((segid B and residue 16 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 16 and name HN)) ((segid B and residue 16 and name HB#)) 3.5 1.7 0 
assign ((segid B and residue 16 and name HN)) ((segid B and residue 17 and name HN)) 5.5 3.7 0 !+2
assign ((segid B and residue 17 and name HN)) ((segid B and residue 16 and name HB#)) 5.5 3.7 0 !+2
assign ((segid B and residue 17 and name HN)) ((segid B and residue 17 and name HA)) 3.5 1.7 0 
assign ((segid B and residue 17 and name HN)) ((segid B and residue 17 and name HD#)) 4 2.2 0 
assign ((segid B and residue 18 and name HN)) ((segid B and residue 17 and name HA)) 2.7 0.9 0 
assign ((segid B and residue 18 and name HN)) ((segid B and residue 17 and name HD#)) 6 4.2 0 
assign ((segid B and residue 18 and name HN)) ((segid B and residue 18 and name HA)) 3.5 1.7 0 !+0.8
assign ((segid B and residue 18 and name HN)) ((segid B and residue 18 and name HB#)) 2.7 0.9 0 
assign ((segid B and residue 18 and name HN)) ((segid B and residue 18 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 21 and name HN)) ((segid A and residue 21 and name HA#)) 2.7 0.9 0 
assign ((segid A and residue 21 and name HN)) ((segid A and residue 22 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 22 and name HN)) ((segid A and residue 22 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 23 and name HN)) ((segid A and residue 22 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 23 and name HN)) ((segid A and residue 23 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 24 and name HN)) ((segid A and residue 24 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 24 and name HN)) ((segid A and residue 24 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 25 and name HN)) ((segid A and residue 24 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 25 and name HN)) ((segid A and residue 25 and name HB#)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 25 and name HN)) ((segid A and residue 25 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 25 and name HN)) ((segid A and residue 26 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 26 and name HN)) ((segid A and residue 25 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 25 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 26 and name HN)) ((segid A and residue 25 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 26 and name HN)) ((segid A and residue 25 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 26 and name HN)) ((segid A and residue 26 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 26 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 27 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 28 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 34 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 45 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 26 and name HN)) ((segid A and residue 45 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 26 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 26 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 26 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 27 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 27 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 27 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 31 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 32 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 34 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 27 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 27 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 28 and name HN)) ((segid A and residue 27 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 28 and name HN)) ((segid A and residue 28 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 28 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 28 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 28 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 29 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 30 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 45 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 46 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 44 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 44 and name HB#)) 6 4.2 0 
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 45 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 45 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 27 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 28 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 28 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 28 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 28 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 29 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 29 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 29 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 29 and name HD22)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 30 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 31 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 46 and name HD#)) 3.5 1.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD21)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD21)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
! assign ((segid A and residue 29 and name HD22)) ((segid A and residue 29 and name HD21)) 6.5 4.2 0 !+2.5
! assign ((segid A and residue 29 and name HD21)) ((segid A and residue 29 and name HD22)) 6.5 4.2 0 !+2.5
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 29 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD21)) ((segid A and residue 30 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 30 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 30 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 30 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 30 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD21)) ((segid A and residue 51 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 51 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD21)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD21)) ((segid A and residue 54 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 54 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD21)) ((segid A and residue 54 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 28 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 30 and name HN)) ((segid A and residue 29 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 29 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 29 and name HD21)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 29 and name HD22)) 5.5 3.7 0 !+2
assign ((segid A and residue 30 and name HN)) ((segid A and residue 29 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 30 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 30 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 30 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 31 and name HN)) ((segid A and residue 27 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 31 and name HN)) ((segid A and residue 27 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 31 and name HN)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 31 and name HN)) ((segid A and residue 29 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 31 and name HN)) ((segid A and residue 30 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 31 and name HN)) ((segid A and residue 31 and name HA#)) 2.7 0.9 0 
assign ((segid A and residue 32 and name HN)) ((segid A and residue 27 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 32 and name HN)) ((segid A and residue 27 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 32 and name HN)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 32 and name HN)) ((segid A and residue 31 and name HA#)) 5.5 3.7 0 
assign ((segid A and residue 33 and name HN)) ((segid A and residue 33 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 33 and name HN)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 25 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 25 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 26 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 26 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 26 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 27 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 27 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 27 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 33 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 33 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 33 and name HG#)) 5.5 3.7 0 !+2
assign ((segid A and residue 34 and name HN)) ((segid A and residue 34 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 34 and name HN)) ((segid A and residue 34 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 35 and name HN)) ((segid A and residue 34 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 35 and name HN)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 35 and name HN)) ((segid A and residue 35 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 35 and name HN)) ((segid A and residue 35 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 35 and name HN)) ((segid A and residue 35 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 35 and name HN)) ((segid A and residue 36 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 35 and name HN)) ((segid A and residue 47 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 36 and name HN)) ((segid B and residue 11 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 34 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 36 and name HN)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 35 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 35 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 35 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 35 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 36 and name S11HN)) ((segid A and residue 36 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 36 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 36 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 36 and name HB#)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 36 and name HN)) ((segid A and residue 37 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 45 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 46 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 36 and name HN)) ((segid A and residue 47 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HN)) ((segid B and residue 9 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 37 and name HN)) ((segid B and residue 10 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HN)) ((segid B and residue 10 and name HG1#)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HN)) ((segid B and residue 11 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 36 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 36 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 36 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 36 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 37 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 37 and name HB)) 3.5 1.7 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 37 and name HN)) ((segid A and residue 38 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 37 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 37 and name HB)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 37 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 38 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 38 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 38 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 43 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 44 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 45 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HN)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 39 and name HN)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 39 and name HN)) ((segid B and residue 10 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 39 and name HN)) ((segid A and residue 38 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HN)) ((segid A and residue 38 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HN)) ((segid A and residue 39 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 39 and name HN)) ((segid A and residue 39 and name HG)) 3.5 1.7 0 
assign ((segid A and residue 39 and name HN)) ((segid A and residue 40 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 39 and name HN)) ((segid A and residue 41 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HN)) ((segid B and residue 7 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HN)) ((segid B and residue 7 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HN)) ((segid B and residue 7 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HN)) ((segid B and residue 7 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 37 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 38 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 38 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 39 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 39 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 40 and name HA#)) 2.7 0.9 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 40 and name HA#)) 2.7 0.9 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 41 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 41 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 42 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HN)) ((segid B and residue 7 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HN)) ((segid B and residue 7 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 37 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 38 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 40 and name HA#)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 40 and name HA#)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 40 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 41 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 41 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 41 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 42 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 42 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 43 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 41 and name HN)) ((segid A and residue 44 and name HB#)) 6 4.2 0 
assign ((segid A and residue 41 and name HN)) ((segid A and residue 64 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 39 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 40 and name HA#)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 40 and name HA#)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 40 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 41 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 41 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 42 and name HN)) ((segid A and residue 41 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 41 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 42 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 42 and name HD2#)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 42 and name HD2#)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 43 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 44 and name HB#)) 6 4.2 0 
assign ((segid A and residue 42 and name HD2#)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 42 and name HD2#)) ((segid B and residue 10 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 42 and name HD2#)) ((segid A and residue 37 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 42 and name HD2#)) ((segid A and residue 42 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HD2#)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HD2#)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HD2#)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 42 and name HD2#)) ((segid A and residue 42 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 41 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 41 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 42 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 43 and name HN)) ((segid A and residue 42 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 42 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 43 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 44 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 44 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 43 and name HN)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 37 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 38 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 38 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 38 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 41 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 42 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 43 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 43 and name HB)) 2.7 0.9 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 43 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 43 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 44 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 44 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 45 and name HN)) ((segid A and residue 28 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HN)) ((segid A and residue 44 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HN)) ((segid A and residue 44 and name HB#)) 4 2.2 0 
assign ((segid A and residue 45 and name HN)) ((segid A and residue 45 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HN)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HE)) ((segid A and residue 25 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HE)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 45 and name HE)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 45 and name HE)) ((segid A and residue 45 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 45 and name HE)) ((segid A and residue 45 and name HD#)) 2.7 0.9 0 
assign ((segid A and residue 45 and name HE)) ((segid A and residue 46 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 27 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 36 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 36 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 37 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 37 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 45 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 45 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 45 and name HD#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 45 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 46 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 46 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 46 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 47 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 27 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 28 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 34 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 34 and name HB#)) 4 2.2 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 35 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 46 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 46 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 47 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 47 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 47 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 48 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 48 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 34 and name HB#)) 6 4.2 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 48 and name HN)) ((segid A and residue 46 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 46 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 47 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 47 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 48 and name HA#)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 48 and name HA#)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 51 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 52 and name HA)) 6 4.2 0 !+0.5
assign ((segid A and residue 49 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 49 and name HN)) ((segid A and residue 48 and name HA#)) 5.5 3.7 0 
assign ((segid A and residue 49 and name HN)) ((segid A and residue 49 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 29 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 47 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 48 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 51 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 51 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 51 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 52 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 52 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 53 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 46 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 49 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 49 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 51 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 51 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 51 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 51 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 52 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 52 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 52 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 53 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 52 and name HN)) ((segid A and residue 54 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE21)) ((segid B and residue 7 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE22)) ((segid B and residue 7 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE21)) ((segid B and residue 9 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE22)) ((segid B and residue 9 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE21)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HE22)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HE22)) ((segid A and residue 52 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE21)) ((segid A and residue 52 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE22)) ((segid A and residue 52 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE21)) ((segid A and residue 52 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE22)) ((segid A and residue 52 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE21)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE22)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 49 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 51 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 51 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 52 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 52 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 52 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 52 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 52 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 52 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 53 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 53 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 54 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 55 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 29 and name HD21)) 5.5 3.7 0 
! assign ((segid A and residue 54 and name HN)) ((segid A and residue 46 and name HH)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 54 and name HN)) ((segid A and residue 52 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 53 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 53 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 53 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 54 and name HA)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 54 and name HN)) ((segid A and residue 54 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 54 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 54 and name HG#)) 5.5 3.7 0 !+2
assign ((segid A and residue 54 and name HN)) ((segid A and residue 55 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 55 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HN)) ((segid A and residue 55 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 53 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 54 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 55 and name HN)) ((segid A and residue 54 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 54 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 54 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 55 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 55 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 55 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 55 and name HN)) ((segid A and residue 56 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid B and residue 6 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 53 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 53 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 54 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 55 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 55 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 56 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 56 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 57 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 57 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN)) ((segid A and residue 57 and name HG#)) 6 4.2 0 !+0.5
assign ((segid A and residue 56 and name HE1)) ((segid B and residue 4 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid B and residue 5 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid B and residue 6 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid B and residue 6 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 56 and name HD1)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 56 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 60 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 60 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 54 and name HD#)) 6 4.2 0 !+0.5
assign ((segid A and residue 57 and name HN)) ((segid A and residue 56 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 56 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 57 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 57 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 57 and name HG#)) 5.5 3.7 0 !+2
assign ((segid A and residue 57 and name HN)) ((segid A and residue 58 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 59 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 55 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 58 and name HN)) ((segid A and residue 57 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 58 and name HN)) ((segid A and residue 57 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 57 and name HG#)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 58 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 58 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 58 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 58 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 58 and name HG#)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 59 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 58 and name HN)) ((segid A and residue 59 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 58 and name HN)) ((segid A and residue 59 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 60 and name HN)) 5.5 3.7 0 !+2
assign ((segid A and residue 59 and name HN)) ((segid A and residue 56 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 58 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 58 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 58 and name HB#)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 59 and name HN)) ((segid A and residue 58 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 58 and name HG#)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 59 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 59 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 59 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 60 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 56 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 56 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 57 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 58 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 59 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 59 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 59 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 60 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 60 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 60 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 61 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 62 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 58 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 58 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 60 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 60 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 60 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 61 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 61 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 61 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 62 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 63 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 59 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 60 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 61 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 61 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 61 and name HB#)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 61 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 62 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 62 and name HB)) 5.5 3.7 0 !+2
assign ((segid A and residue 62 and name HN)) ((segid A and residue 62 and name HG1#)) 3.5 1.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 62 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 62 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 63 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HN)) ((segid A and residue 63 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 62 and name HN)) ((segid A and residue 63 and name HB#)) 5.5 3.7 0 
! assign ((segid A and residue 62 and name HN)) ((segid A and residue 64 and name HN)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 63 and name HN)) ((segid A and residue 60 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 61 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 61 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 62 and name HA)) 5.5 3.7 0 !+2
assign ((segid A and residue 63 and name HN)) ((segid A and residue 62 and name HB)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 62 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 62 and name HG1#)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 63 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 63 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 63 and name HB#)) 2.7 0.9 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 64 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HN)) ((segid A and residue 41 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 64 and name HN)) ((segid A and residue 41 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 64 and name HN)) ((segid A and residue 41 and name HB#)) 3.5 1.7 0 
! assign ((segid A and residue 64 and name HN)) ((segid A and residue 60 and name HA)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 64 and name HN)) ((segid A and residue 62 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 64 and name HN)) ((segid A and residue 63 and name HA)) 2.7 0.9 0 
assign ((segid A and residue 64 and name HN)) ((segid A and residue 63 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 64 and name HN)) ((segid A and residue 63 and name HB#)) 5.5 3.7 0 !+2
assign ((segid A and residue 64 and name HN)) ((segid A and residue 63 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 64 and name HN)) ((segid A and residue 64 and name HA#)) 2.7 0.9 0 
assign ((segid A and residue 64 and name HN)) ((segid A and residue 64 and name HA#)) 2.7 0.9 0 
assign ((segid A and residue 65 and name HN)) ((segid A and residue 63 and name HA)) 3.5 1.7 0 
assign ((segid A and residue 65 and name HN)) ((segid A and residue 64 and name HA#)) 3.5 1.7 0 
assign ((segid A and residue 65 and name HN)) ((segid A and residue 64 and name HA#)) 3.5 1.7 0 
assign ((segid A and residue 65 and name HN)) ((segid A and residue 65 and name HA)) 3.5 1.7 0 !+0.8
assign ((segid A and residue 65 and name HN)) ((segid A and residue 65 and name HB#)) 3.5 1.7 0 
assign ((segid A and residue 66 and name HN)) ((segid A and residue 66 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 67 and name HN)) ((segid A and residue 66 and name HG2#)) 4 2.2 0 
assign ((segid A and residue 69 and name HN)) ((segid A and residue 69 and name HB#)) 3.2 1.4 0 
assign ((segid A and residue 70 and name HN)) ((segid A and residue 69 and name HB#)) 4 2.2 0 
assign ((segid B and residue 3 and name HA)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
assign ((segid B and residue 3 and name HA)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HB)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
assign ((segid B and residue 3 and name HB)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HG1#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HG1#)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HG1#)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HG1#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 3 and name HD1#)) ((segid A and residue 56 and name HD1)) 6 4.2 0 
assign ((segid B and residue 3 and name HD1#)) ((segid A and residue 56 and name HE1)) 6 4.2 0 
assign ((segid B and residue 3 and name HD1#)) ((segid A and residue 56 and name HZ2)) 6 4.2 0 
assign ((segid B and residue 3 and name HD1#)) ((segid A and residue 60 and name HD2)) 6 4.2 0 
assign ((segid B and residue 3 and name HD1#)) ((segid A and residue 60 and name HE1)) 6 4.2 0 
assign ((segid B and residue 3 and name HG2#)) ((segid A and residue 56 and name HD1)) 6 4.2 0 
assign ((segid B and residue 3 and name HG2#)) ((segid A and residue 56 and name HZ2)) 6 4.2 0 
assign ((segid B and residue 3 and name HG2#)) ((segid A and residue 60 and name HE1)) 6 4.2 0 
assign ((segid B and residue 4 and name HB#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HA)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HA)) ((segid A and residue 53 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HA)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HA)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 5 and name HB#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HA)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HB#)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HB#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HB#)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid A and residue 53 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HD#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid A and residue 53 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid A and residue 53 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid B and residue 6 and name HG#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HA)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 7 and name HB#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid B and residue 8 and name HB#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HB#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HD#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 8 and name HG#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid B and residue 9 and name HA)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid B and residue 9 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 46 and name HD#)) 4 2.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 46 and name HD#)) 6 4.2 0 
assign ((segid B and residue 9 and name HD#)) ((segid A and residue 46 and name HE#)) 6 4.2 0 
assign ((segid B and residue 10 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid B and residue 10 and name HD1#)) ((segid A and residue 39 and name HG)) 6 4.2 0 
assign ((segid B and residue 10 and name HG2#)) ((segid A and residue 39 and name HG)) 6 4.2 0 
assign ((segid A and residue 26 and name HB#)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HA)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 26 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 27 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HA)) ((segid A and residue 46 and name HD#)) 6 4.2 0 !+0.5
assign ((segid A and residue 28 and name HA)) ((segid A and residue 46 and name HH)) 6 4.2 0 !+0.5
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HB#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
! assign ((segid A and residue 28 and name HD1)) ((segid A and residue 46 and name HH)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 28 and name HD1)) 3.5 1.7 0 
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 28 and name HH2)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE1)) ((segid A and residue 28 and name HZ2)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 28 and name HZ2)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 28 and name HZ3)) 2.7 0.9 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HE3)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 28 and name HE3)) 6 4.2 0 !+0.5
assign ((segid A and residue 28 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HN)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HZ2)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 28 and name HE3)) 2.7 0.9 0 
assign ((segid A and residue 28 and name HZ3)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HA)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HB#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HD22)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
! assign ((segid A and residue 29 and name HN)) ((segid A and residue 28 and name HE3)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 29 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 29 and name HN)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 30 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 28 and name HD1)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 46 and name HA)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 46 and name HD#)) 6 4.2 0 
assign ((segid A and residue 34 and name HB#)) ((segid A and residue 46 and name HD#)) 6 4.2 0 
assign ((segid A and residue 36 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 36 and name HB#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 36 and name HG#)) ((segid B and residue 9 and name HD#)) 4 2.2 0 
assign ((segid A and residue 36 and name HG#)) ((segid B and residue 9 and name HD#)) 3.2 1.4 0 
assign ((segid A and residue 36 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 37 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 37 and name HA)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 38 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
! assign ((segid A and residue 38 and name HN)) ((segid A and residue 46 and name HA)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 38 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 38 and name HN)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HA)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HB#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HB#)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 39 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 39 and name HN)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 40 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 40 and name HN)) ((segid A and residue 39 and name HG)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HA)) ((segid A and residue 64 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 41 and name HB#)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HB#)) ((segid A and residue 42 and name HD2#)) 5.5 3.7 0 
assign ((segid A and residue 42 and name HN)) ((segid A and residue 42 and name HD2#)) 5.5 3.7 0 
assign ((segid A and residue 43 and name HA)) ((segid A and residue 28 and name HH2)) 5.5 3.7 0 
assign ((segid A and residue 43 and name HA)) ((segid A and residue 28 and name HZ2)) 5.5 3.7 0 
! assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 28 and name HD1)) 6.5 4.2 0 !+0
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 28 and name HE3)) 6 4.2 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 28 and name HH2)) 3.2 1.4 0 
assign ((segid A and residue 43 and name HG2#)) ((segid A and residue 28 and name HZ2)) 3.2 1.4 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 28 and name HH2)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 28 and name HZ2)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HN)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HD1)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HE3)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HZ2)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 28 and name HZ3)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 46 and name HD#)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 46 and name HE#)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 46 and name HE#)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 46 and name HH)) 6 4.2 0 
assign ((segid A and residue 44 and name HB#)) ((segid A and residue 59 and name HE1)) 4 2.2 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
! assign ((segid A and residue 45 and name HB#)) ((segid A and residue 28 and name HE3)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 28 and name HZ2)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HB#)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HN)) ((segid A and residue 28 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 45 and name HN)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HA)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HA)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 46 and name HD#)) 3.5 1.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HD#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HE#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HH)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HH)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HH)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HH)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HH)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 46 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 47 and name HN)) ((segid A and residue 48 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 48 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 51 and name HN)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HA)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HB#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HB#)) ((segid A and residue 46 and name HA)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HB#)) ((segid A and residue 46 and name HD#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HE22)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HG#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HG#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HG#)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 52 and name HG#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 52 and name HN)) ((segid B and residue 9 and name HD#)) 6 4.2 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HA)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HD2)) ((segid A and residue 53 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HE1)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HN)) ((segid A and residue 54 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HB#)) ((segid A and residue 53 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 53 and name HB#)) ((segid A and residue 54 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 54 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 54 and name HB#)) ((segid A and residue 54 and name HN)) 2.7 0.9 0 
assign ((segid A and residue 54 and name HG#)) ((segid A and residue 54 and name HN)) 5.5 3.7 0 
! assign ((segid A and residue 54 and name HN)) ((segid A and residue 46 and name HH)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 55 and name HN) OR (segid A and residue 56 and name HN)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HA)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HA)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 46 and name HE#)) 2.7 0.9 0 
assign ((segid A and residue 55 and name HB#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HH2) OR (segid A and residue 56 and name HZ3)) ((segid B and residue 3 and name HG2#)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HN) OR (segid A and residue 58 and name HN)) ((segid A and residue 56 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HA)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HA)) ((segid A and residue 56 and name HE3)) 6 4.2 0 !+0.5
assign ((segid A and residue 56 and name HA)) ((segid A and residue 56 and name HZ3)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 56 and name HD1)) ((segid B and residue 3 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 56 and name HD1)) ((segid A and residue 56 and name HE1)) 3.5 1.7 0 
assign ((segid A and residue 56 and name HD1)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 56 and name HD1)) 2.7 0.9 0 
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 56 and name HH2)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HE1)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HH2)) ((segid A and residue 60 and name HD2)) 6 4.2 0 !+0.5
assign ((segid A and residue 56 and name HN)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid B and residue 3 and name HG2#)) 6 4.2 0 
assign ((segid A and residue 56 and name HZ2)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ2)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 56 and name HZ3)) ((segid A and residue 56 and name HE3)) 2.7 0.9 0 
assign ((segid A and residue 57 and name HA)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HA)) ((segid A and residue 61 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HB#)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HB#)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HB#)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 56 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HN)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
! assign ((segid A and residue 57 and name HG#)) ((segid A and residue 56 and name HD1)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 57 and name HG#)) ((segid A and residue 61 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HA)) ((segid A and residue 61 and name HD2)) 3.5 1.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HG#)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HN)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HB#)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 58 and name HD#)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HA)) ((segid A and residue 59 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HB#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HB#)) ((segid A and residue 46 and name HH)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 28 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 28 and name HZ2)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 28 and name HZ3)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 46 and name HE#)) 5.5 3.7 0 
! assign ((segid A and residue 59 and name HE1)) ((segid A and residue 46 and name HH)) 6.5 4.2 0 !+0.5
assign ((segid A and residue 59 and name HE1)) ((segid A and residue 59 and name HD1)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 46 and name HH)) 6 4.2 0 !+0.5
assign ((segid A and residue 59 and name HN)) ((segid A and residue 56 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 56 and name HZ3)) 6 4.2 0 !+0.5
assign ((segid A and residue 59 and name HN)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 59 and name HN)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 56 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HA)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HB#)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 56 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HD2)) ((segid A and residue 61 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HE1)) ((segid B and residue 3 and name HD1#)) 6 4.2 0 
assign ((segid A and residue 60 and name HE1)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HE1)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 56 and name HE3)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 60 and name HN)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HA)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HB#)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 60 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HD2)) ((segid A and residue 61 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HE1)) ((segid A and residue 60 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 61 and name HD2)) 5.5 3.7 0 
assign ((segid A and residue 61 and name HN)) ((segid A and residue 62 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HG1#)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 28 and name HE3)) 6 4.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 28 and name HZ3)) 6 4.2 0 
assign ((segid A and residue 62 and name HD1#)) ((segid A and residue 59 and name HE1)) 6 4.2 0 
! assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 28 and name HZ2)) 6.5 4.2 0 !+0
assign ((segid A and residue 62 and name HG2#)) ((segid A and residue 59 and name HE1)) 6 4.2 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HA)) ((segid A and residue 64 and name HN)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 56 and name HZ3)) 3.5 1.7 0 
assign ((segid A and residue 63 and name HB#)) ((segid A and residue 64 and name HN)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 59 and name HE1)) 5.5 3.7 0 
assign ((segid A and residue 63 and name HN)) ((segid A and residue 64 and name HN)) 5.5 3.7 0 
DISnDIH_restraints/Zn.tbl0000644000076400007640000000341610542342523014222 0ustar  oubaoubaassign (residue 27 and name ZN) (residue 30 and name SG) 2.3 0.02 0.02
assign (residue 27 and name ZN) (residue 47 and name SG) 2.3 0.02 0.02
assign (residue 27 and name ZN) (residue 51 and name SG) 2.3 0.02 0.02
assign (residue 27 and name ZN) (residue 30 and name CB) 3.35 0.20 0.20
assign (residue 27 and name ZN) (residue 47 and name CB) 3.35 0.20 0.22 !
assign (residue 27 and name ZN) (residue 51 and name CB) 3.35 0.20 0.20

assign (residue 27 and name SG) (residue 30 and name SG) 3.7 0.25 0.25
assign (residue 27 and name SG) (residue 47 and name SG) 3.7 0.25 0.27 ! 
assign (residue 27 and name SG) (residue 51 and name SG) 3.7 0.25 0.25
assign (residue 30 and name SG) (residue 47 and name SG) 3.7 0.25 0.25
assign (residue 30 and name SG) (residue 51 and name SG) 3.7 0.25 0.25
assign (residue 47 and name SG) (residue 51 and name SG) 3.7 0.27 0.25  ! 

assign (residue 38 and name ZN) (residue 41 and name SG)  2.3 0.02 0.02
assign (residue 38 and name ZN) (residue 63 and name SG)  2.3 0.02 0.02
assign (residue 38 and name ZN) (residue 59 and name NE2) 2.0 0.02 0.02 
assign (residue 38 and name ZN) (residue 41 and name CB) 3.35 0.20 0.20
assign (residue 38 and name ZN) (residue 63 and name CB) 3.35 0.20 0.20
assign (residue 38 and name ZN) (residue 59 and name CD2) 3.07 0.2 0.2
assign (residue 38 and name ZN) (residue 59 and name CE1) 2.95 0.2 0.2

assign (residue 41 and name SG) (residue 38 and name SG) 3.7 0.25 0.25
assign (residue 41 and name SG) (residue 63 and name SG) 3.7 0.25 0.25
assign (residue 38 and name SG) (residue 63 and name SG) 3.7 0.25 0.25
assign (residue 59 and name NE2) (residue 63 and name SG) 3.60 0.25 0.25 
assign (residue 59 and name NE2) (residue 38 and name SG) 3.60 0.25 0.25
assign (residue 59 and name NE2) (residue 41 and name SG) 3.60 0.27 0.25 !

DISnDIH_restraints/dihedral.tbl0000664000076400007640000002165010542343023015405 0ustar  oubaoubaassign (segid B and resid 8 and name c) (segid B and resid 9 and name n)
       (segid B and resid 9 and name ca) (segid B and resid 9 and name c)  1.0 -94.08 22.05 2
assign (segid B and resid 9 and name n) (segid B and resid 9 and name ca)
       (segid B and resid 9 and name c) (segid B and resid 10 and name n) 1.0 135.1 27.97 2
assign (segid B and resid 9 and name c) (segid B and resid 10 and name n)
       (segid B and resid 10 and name ca) (segid B and resid 10 and name c)  1.0 -118.29 11.35 2
assign (segid B and resid 10 and name n) (segid B and resid 10 and name ca)
       (segid B and resid 10 and name c) (segid B and resid 11 and name n) 1.0 139.67 16.34 2
assign (segid B and resid 10 and name c) (segid B and resid 11 and name n)
       (segid B and resid 11 and name ca) (segid B and resid 11 and name c)  1.0 -84.38 16.17 2
assign (segid B and resid 11 and name n) (segid B and resid 11 and name ca)
       (segid B and resid 11 and name c) (segid B and resid 12 and name n) 1.0 135.49 7.70999999999999 2
assign (segid A and resid 35 and name c) (segid A and resid 36 and name n)
       (segid A and resid 36 and name ca) (segid A and resid 36 and name c)  1.0 -132.54 22.59 2
assign (segid A and resid 36 and name n) (segid A and resid 36 and name ca)
       (segid A and resid 36 and name c) (segid A and resid 37 and name n) 1.0 152.68 15.24 2
assign (segid A and resid 36 and name c) (segid A and resid 37 and name n)
       (segid A and resid 37 and name ca) (segid A and resid 37 and name c)  1.0 -125.54 12.66 2
assign (segid A and resid 37 and name n) (segid A and resid 37 and name ca)
       (segid A and resid 37 and name c) (segid A and resid 38 and name n) 1.0 121 17.58 2
assign (segid A and resid 44 and name c) (segid A and resid 45 and name n)
       (segid A and resid 45 and name ca) (segid A and resid 45 and name c)  1.0 -119.31 18.84 2
assign (segid A and resid 45 and name n) (segid A and resid 45 and name ca)
       (segid A and resid 45 and name c) (segid A and resid 46 and name n) 1.0 155.05 12.7 2
assign (segid A and resid 45 and name c) (segid A and resid 46 and name n)
       (segid A and resid 46 and name ca) (segid A and resid 46 and name c)  1.0 -134.13 17.82 2
assign (segid A and resid 46 and name n) (segid A and resid 46 and name ca)
       (segid A and resid 46 and name c) (segid A and resid 47 and name n) 1.0 152.22 9.16 2
{
assign (segid A and resid 49 and name c) (segid A and resid 50 and name n)
       (segid A and resid 50 and name ca) (segid A and resid 50 and name c)  1.0 -64.92 10.00 2 !released
assign (segid A and resid 50 and name n) (segid A and resid 50 and name ca)
       (segid A and resid 50 and name c) (segid A and resid 51 and name n) 1.0 -43.14 10.00 2 !released
}

assign (segid A and resid 50 and name c) (segid A and resid 51 and name n)
       (segid A and resid 51 and name ca) (segid A and resid 51 and name c)  1.0 -63.33 3.96 2
assign (segid A and resid 51 and name n) (segid A and resid 51 and name ca)
       (segid A and resid 51 and name c) (segid A and resid 52 and name n) 1.0 -43.84 5.37 2
assign (segid A and resid 51 and name c) (segid A and resid 52 and name n)
       (segid A and resid 52 and name ca) (segid A and resid 52 and name c)  1.0 -66.49 4.47 2
assign (segid A and resid 52 and name n) (segid A and resid 52 and name ca)
       (segid A and resid 52 and name c) (segid A and resid 53 and name n) 1.0 -38.5 6.75 2
assign (segid A and resid 52 and name c) (segid A and resid 53 and name n)
       (segid A and resid 53 and name ca) (segid A and resid 53 and name c)  1.0 -65.44 4.71 2
assign (segid A and resid 53 and name n) (segid A and resid 53 and name ca)
       (segid A and resid 53 and name c) (segid A and resid 54 and name n) 1.0 -41.92 4.48 2
assign (segid A and resid 53 and name c) (segid A and resid 54 and name n)
       (segid A and resid 54 and name ca) (segid A and resid 54 and name c)  1.0 -64.74 7.41 2
assign (segid A and resid 54 and name n) (segid A and resid 54 and name ca)
       (segid A and resid 54 and name c) (segid A and resid 55 and name n) 1.0 -37.49 14.18 2
assign (segid A and resid 54 and name c) (segid A and resid 55 and name n)
       (segid A and resid 55 and name ca) (segid A and resid 55 and name c)  1.0 -99.07 13.82 2
assign (segid A and resid 55 and name n) (segid A and resid 55 and name ca)
       (segid A and resid 55 and name c) (segid A and resid 56 and name n) 1.0 -5.44 13.51 2
assign (segid A and resid 56 and name c) (segid A and resid 57 and name n)
       (segid A and resid 57 and name ca) (segid A and resid 57 and name c)  1.0 -62.98 9.79 2
assign (segid A and resid 57 and name n) (segid A and resid 57 and name ca)
       (segid A and resid 57 and name c) (segid A and resid 58 and name n) 1.0 -40.78 12.92 2
assign (segid A and resid 57 and name c) (segid A and resid 58 and name n)
       (segid A and resid 58 and name ca) (segid A and resid 58 and name c)  1.0 -71.31 15.17 2
assign (segid A and resid 58 and name n) (segid A and resid 58 and name ca)
       (segid A and resid 58 and name c) (segid A and resid 59 and name n) 1.0 -42.18 9.14 2
assign (segid A and resid 58 and name c) (segid A and resid 59 and name n)
       (segid A and resid 59 and name ca) (segid A and resid 59 and name c)  1.0 -65.07 7.6 2
assign (segid A and resid 59 and name n) (segid A and resid 59 and name ca)
       (segid A and resid 59 and name c) (segid A and resid 60 and name n) 1.0 -43.1 9.09 2
assign (segid A and resid 59 and name c) (segid A and resid 60 and name n)
       (segid A and resid 60 and name ca) (segid A and resid 60 and name c)  1.0 -62.52 7.27 2
assign (segid A and resid 60 and name n) (segid A and resid 60 and name ca)
       (segid A and resid 60 and name c) (segid A and resid 61 and name n) 1.0 -41.24 8.23 2
assign (segid A and resid 60 and name c) (segid A and resid 61 and name n)
       (segid A and resid 61 and name ca) (segid A and resid 61 and name c)  1.0 -65.43 13.64 2
assign (segid A and resid 61 and name n) (segid A and resid 61 and name ca)
       (segid A and resid 61 and name c) (segid A and resid 62 and name n) 1.0 -34.18 8.77 2

assign (segid A and resid 27 and name n)   (segid A and resid 27 and name ca)
       (segid A and resid 27 and name cb)  (segid A and resid 27 and name sg)   1.0 180  30.0 2

assign (segid A and resid 28 and name n)   (segid A and resid 28 and name ca)
       (segid A and resid 28 and name cb)  (segid A and resid 28 and name cg)   1.0 -60  30.0 2

assign (segid A and resid 29 and name n)   (segid A and resid 29 and name ca)
       (segid A and resid 29 and name cb)  (segid A and resid 29 and name cg)   1.0 180  30.0 2

assign (segid A and resid 30 and name n)   (segid A and resid 30 and name ca)
       (segid A and resid 30 and name cb)  (segid A and resid 30 and name sg)   1.0 -60  30.0 2

assign (segid A and resid 36 and name n)   (segid A and resid 36 and name ca)
       (segid A and resid 36 and name cb)  (segid A and resid 36 and name cg)   1.0 -60  30.0 2

assign (segid A and resid 38 and name n)   (segid A and resid 38 and name ca)
       (segid A and resid 38 and name cb)  (segid A and resid 38 and name sg)   1.0 180  30.0 2

assign (segid A and resid 41 and name n)   (segid A and resid 41 and name ca)
       (segid A and resid 41 and name cb)  (segid A and resid 41 and name sg)   1.0 60  30.0 2

{
assign (segid A and resid 42 and name n)   (segid A and resid 42 and name ca)
       (segid A and resid 42 and name cb)  (segid A and resid 42 and name cg)   1.0 -60  40.0 2
}

assign (segid A and resid 46 and name n)   (segid A and resid 46 and name ca)
       (segid A and resid 46 and name cb)  (segid A and resid 46 and name cg)   1.0 -60  30.0 2

assign (segid A and resid 47 and name n)   (segid A and resid 47 and name ca)
       (segid A and resid 47 and name cb)  (segid A and resid 47 and name sg)   1.0 60  30.0 2

assign (segid A and resid 51 and name n)   (segid A and resid 51 and name ca)
       (segid A and resid 51 and name cb)  (segid A and resid 51 and name sg)   1.0 -60  30.0 2

assign (segid A and resid 55 and name n)   (segid A and resid 55 and name ca)
       (segid A and resid 55 and name cb)  (segid A and resid 55 and name cg)   1.0 -60  30.0 2

assign (segid A and resid 56 and name n)   (segid A and resid 56 and name ca)
       (segid A and resid 56 and name cb)  (segid A and resid 56 and name cg)   1.0 180  30.0 2

assign (segid A and resid 59 and name n)   (segid A and resid 59 and name ca)
       (segid A and resid 59 and name cb)  (segid A and resid 59 and name cg)   1.0 180  30.0 2

assign (segid A and resid 60 and name n)   (segid A and resid 60 and name ca)
       (segid A and resid 60 and name cb)  (segid A and resid 60 and name cg)   1.0 60  30.0 2

assign (segid A and resid 61 and name n)   (segid A and resid 61 and name ca)
       (segid A and resid 61 and name cb)  (segid A and resid 61 and name cg)   1.0 -60  30.0 2

assign (segid A and resid 63 and name n)   (segid A and resid 63 and name ca)
       (segid A and resid 63 and name cb)  (segid A and resid 63 and name sg)   1.0 180  30.0 2






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    THR1101           H        THR1101  -6.507  12.611   6.042
    2    HA   THR1101           HA       THR1101  -8.500  11.527   7.017
    3    HB   THR1101           HB       THR1101  -8.571  13.651   5.845
    4    HG1  THR1101           1HG      THR1101 -10.609  13.141   6.187
    5   1HG2  THR1101          1HG2      THR1101  -9.418  12.997   3.260
    6   2HG2  THR1101          2HG2      THR1101  -7.932  12.088   3.538
    7   3HG2  THR1101          3HG2      THR1101  -7.944  13.840   3.738
    8    H    ILE1102           H        ILE1102  -7.639   9.145   6.511
    9    HA   ILE1102           HA       ILE1102  -9.659   7.976   4.732
   10    HB   ILE1102           HB       ILE1102  -6.827   6.946   4.838
   11   1HG1  ILE1102          2HG1      ILE1102  -8.072   8.465   2.548
   12   2HG1  ILE1102          1HG1      ILE1102  -7.096   9.255   3.783
   13   1HG2  ILE1102          1HG2      ILE1102  -8.313   5.209   4.256
   14   2HG2  ILE1102          2HG2      ILE1102  -7.611   5.771   2.738
   15   3HG2  ILE1102          3HG2      ILE1102  -9.244   6.260   3.190
   16   1HD1  ILE1102          1HD1      ILE1102  -6.206   8.070   1.435
   17   2HD1  ILE1102          2HD1      ILE1102  -5.737   6.953   2.718
   18   3HD1  ILE1102          3HD1      ILE1102  -5.221   8.639   2.783
   19    H    SER1103           H        SER1103 -10.078   5.685   5.189
   20    HA   SER1103           HA       SER1103 -10.568   5.189   7.875
   21   1HB   SER1103          2HB       SER1103 -11.330   3.997   5.567
   22   2HB   SER1103          1HB       SER1103 -10.181   2.802   6.167
   23    HG   SER1103           HG       SER1103 -11.489   2.330   7.767
   24    H    ASN1104           H        ASN1104  -9.748   2.765   8.651
   25    HA   ASN1104           HA       ASN1104  -6.861   3.143   9.010
   26   1HB   ASN1104          2HB       ASN1104  -9.046   2.153  10.727
   27   2HB   ASN1104          1HB       ASN1104  -7.533   1.262  10.855
   28   1HD2  ASN1104          1HD2      ASN1104  -8.565   2.674  12.974
   29   2HD2  ASN1104          2HD2      ASN1104  -7.544   4.025  13.313
   30    HA   PRO1105           HA       PRO1105  -6.502  -0.443   6.293
   31   1HB   PRO1105          2HB       PRO1105  -3.782  -0.480   6.246
   32   2HB   PRO1105          1HB       PRO1105  -4.749   0.623   5.260
   33   1HG   PRO1105          2HG       PRO1105  -3.358   1.130   7.862
   34   2HG   PRO1105          1HG       PRO1105  -3.432   2.153   6.415
   35   1HD   PRO1105          2HD       PRO1105  -4.984   2.603   8.577
   36   2HD   PRO1105          1HD       PRO1105  -5.542   2.941   6.927
   37    HA   PRO1106           HA       PRO1106  -6.010  -3.874   9.021
   38   1HB   PRO1106          2HB       PRO1106  -4.238  -5.029   6.920
   39   2HB   PRO1106          1HB       PRO1106  -5.648  -5.738   7.717
   40   1HG   PRO1106          2HG       PRO1106  -5.827  -4.819   5.228
   41   2HG   PRO1106          1HG       PRO1106  -7.151  -4.577   6.382
   42   1HD   PRO1106          2HD       PRO1106  -5.110  -2.633   5.399
   43   2HD   PRO1106          1HD       PRO1106  -6.818  -2.370   5.805
   44    HA   PRO1107           HA       PRO1107  -2.136  -3.597  11.117
   45   1HB   PRO1107          2HB       PRO1107  -1.684  -6.131  11.972
   46   2HB   PRO1107          1HB       PRO1107  -2.936  -5.094  12.665
   47   1HG   PRO1107          2HG       PRO1107  -3.193  -7.266  10.620
   48   2HG   PRO1107          1HG       PRO1107  -4.227  -6.917  12.019
   49   1HD   PRO1107          2HD       PRO1107  -4.884  -6.173   9.500
   50   2HD   PRO1107          1HD       PRO1107  -5.347  -5.225  10.927
   51    H    LEU1108           H        LEU1108   0.111  -4.100  11.054
   52    HA   LEU1108           HA       LEU1108   0.962  -5.152   8.459
   53   1HB   LEU1108          2HB       LEU1108   2.113  -3.263  10.448
   54   2HB   LEU1108          1HB       LEU1108   3.232  -4.183   9.460
   55    HG   LEU1108           HG       LEU1108   1.023  -2.502   8.287
   56   1HD1  LEU1108          1HD1      LEU1108   2.708  -1.223   9.709
   57   2HD1  LEU1108          2HD1      LEU1108   2.501  -0.699   8.039
   58   3HD1  LEU1108          3HD1      LEU1108   3.901  -1.672   8.491
   59   1HD2  LEU1108          1HD2      LEU1108   3.445  -3.900   7.194
   60   2HD2  LEU1108          2HD2      LEU1108   2.655  -2.584   6.326
   61   3HD2  LEU1108          3HD2      LEU1108   1.760  -4.058   6.696
   62    H    ILE1109           H        ILE1109   2.510  -6.769   8.247
   63    HA   ILE1109           HA       ILE1109   2.998  -8.348  10.687
   64    HB   ILE1109           HB       ILE1109   3.455 -10.187   8.817
   65   1HG1  ILE1109          2HG1      ILE1109   1.232  -8.582   7.559
   66   2HG1  ILE1109          1HG1      ILE1109   2.903  -8.490   7.015
   67   1HG2  ILE1109          1HG2      ILE1109   1.692  -9.955  10.744
   68   2HG2  ILE1109          2HG2      ILE1109   1.495 -11.173   9.484
   69   3HG2  ILE1109          3HG2      ILE1109   0.583  -9.665   9.403
   70   1HD1  ILE1109          1HD1      ILE1109   2.877 -10.608   6.139
   71   2HD1  ILE1109          2HD1      ILE1109   1.222 -10.082   5.838
   72   3HD1  ILE1109          3HD1      ILE1109   1.575 -11.146   7.200
   73    H    SER1110           H        SER1110   5.045  -8.470  11.340
   74    HA   SER1110           HA       SER1110   7.156  -7.611   9.519
   75   1HB   SER1110          2HB       SER1110   8.476  -8.037  11.822
   76   2HB   SER1110          1HB       SER1110   7.616  -6.535  11.479
   77    HG   SER1110           HG       SER1110   7.218  -8.026  13.519
   78    H    SER1111           H        SER1111   8.516  -8.966   8.562
   79    HA   SER1111           HA       SER1111   8.565 -11.761   9.489
   80   1HB   SER1111          2HB       SER1111   7.605 -11.602   7.270
   81   2HB   SER1111          1HB       SER1111   8.974 -10.643   6.707
   82    HG   SER1111           HG       SER1111  10.296 -12.436   6.961
   83    H    ALA1112           H        ALA1112  10.531 -12.823   9.636
   84    HA   ALA1112           HA       ALA1112  13.008 -11.772   8.813
   85   1HB   ALA1112          1HB       ALA1112  12.035 -10.380  10.971
   86   2HB   ALA1112          2HB       ALA1112  13.729 -10.477  10.486
   87   3HB   ALA1112          3HB       ALA1112  13.101 -11.570  11.721
   88    H    LYS1113           H        LYS1113  14.474 -13.367   8.827
   89    HA   LYS1113           HA       LYS1113  14.028 -15.648  10.635
   90   1HB   LYS1113          2HB       LYS1113  14.587 -15.628   7.685
   91   2HB   LYS1113          1HB       LYS1113  15.059 -17.004   8.672
   92   1HG   LYS1113          2HG       LYS1113  12.253 -15.931   8.584
   93   2HG   LYS1113          1HG       LYS1113  12.844 -17.202   7.512
   94   1HD   LYS1113          2HD       LYS1113  13.048 -17.396  10.506
   95   2HD   LYS1113          1HD       LYS1113  11.626 -17.949   9.619
   96   1HE   LYS1113          2HE       LYS1113  14.424 -18.887   9.022
   97   2HE   LYS1113          1HE       LYS1113  13.340 -19.719  10.137
   98   1HZ   LYS1113          1HZ       LYS1113  11.774 -19.501   8.003
   99   2HZ   LYS1113          2HZ       LYS1113  12.783 -20.830   8.278
  100   3HZ   LYS1113          3HZ       LYS1113  13.280 -19.594   7.235
  101    H    ASP 658           H        ASP 658  17.716  -5.878  -6.279
  102    HA   ASP 658           HA       ASP 658  16.143  -5.885  -3.787
  103   1HB   ASP 658          2HB       ASP 658  17.836  -3.983  -4.038
  104   2HB   ASP 658          1HB       ASP 658  16.808  -3.385  -5.336
  105    H    SER 659           H        SER 659  14.007  -6.003  -4.045
  106    HA   SER 659           HA       SER 659  12.578  -4.790  -6.164
  107   1HB   SER 659          2HB       SER 659  13.414  -7.619  -6.507
  108   2HB   SER 659          1HB       SER 659  11.745  -7.232  -6.923
  109    HG   SER 659           HG       SER 659  13.965  -5.763  -7.891
  110    H    SER 660           H        SER 660  12.605  -7.438  -3.814
  111    HA   SER 660           HA       SER 660   9.768  -6.981  -3.256
  112   1HB   SER 660          2HB       SER 660   9.735  -9.090  -2.196
  113   2HB   SER 660          1HB       SER 660  10.785  -9.319  -3.593
  114    HG   SER 660           HG       SER 660  12.531  -9.354  -2.297
  115    H    GLU 661           H        GLU 661  12.943  -6.676  -1.823
  116    HA   GLU 661           HA       GLU 661  11.816  -5.878   0.746
  117   1HB   GLU 661          2HB       GLU 661  14.394  -6.866  -0.198
  118   2HB   GLU 661          1HB       GLU 661  14.559  -5.493   0.887
  119   1HG   GLU 661          2HG       GLU 661  13.303  -6.638   2.596
  120   2HG   GLU 661          1HG       GLU 661  12.995  -7.988   1.505
  121    H    SER 662           H        SER 662  10.848  -3.907   0.296
  122    HA   SER 662           HA       SER 662  12.485  -1.626   0.475
  123   1HB   SER 662          2HB       SER 662  11.438  -0.776  -1.876
  124   2HB   SER 662          1HB       SER 662  13.052  -1.470  -1.718
  125    HG   SER 662           HG       SER 662  11.292  -2.349  -3.301
  126    H    CYS 663           H        CYS 663  11.336   0.018   1.312
  127    HA   CYS 663           HA       CYS 663   8.632  -0.370   2.030
  128   1HB   CYS 663          2HB       CYS 663  10.462   1.048   3.176
  129   2HB   CYS 663          1HB       CYS 663  10.008   2.299   2.030
  130    H    TRP 664           H        TRP 664   6.821   0.047   0.946
  131    HA   TRP 664           HA       TRP 664   6.826   0.983  -1.708
  132   1HB   TRP 664          2HB       TRP 664   4.611   0.572   0.295
  133   2HB   TRP 664          1HB       TRP 664   4.300   1.130  -1.345
  134    HD1  TRP 664           HD       TRP 664   6.895  -1.589  -0.538
  135    HE1  TRP 664           1HE      TRP 664   6.128  -3.793  -1.630
  136    HE3  TRP 664           3HE      TRP 664   2.282  -0.120  -2.215
  137    HZ2  TRP 664           2HZ      TRP 664   3.877  -4.776  -3.014
  138    HZ3  TRP 664           3HZ      TRP 664   0.892  -1.758  -3.410
  139    HH2  TRP 664           HH       TRP 664   1.672  -4.032  -3.801
  140    H    ASN 665           H        ASN 665   6.734   2.653   1.295
  141    HA   ASN 665           HA       ASN 665   5.769   5.120   0.037
  142   1HB   ASN 665          2HB       ASN 665   4.603   4.737   2.041
  143   2HB   ASN 665          1HB       ASN 665   6.050   4.209   2.891
  144   1HD2  ASN 665          1HD2      ASN 665   6.849   5.599   4.271
  145   2HD2  ASN 665          2HD2      ASN 665   6.662   7.316   4.221
  146    H    CYS 666           H        CYS 666   8.297   4.272   2.418
  147    HA   CYS 666           HA       CYS 666   9.809   6.576   2.141
  148   1HB   CYS 666          2HB       CYS 666  10.588   3.783   2.954
  149   2HB   CYS 666          1HB       CYS 666  11.733   5.117   2.973
  150    H    GLY 667           H        GLY 667  10.607   3.400   0.658
  151   1HA   GLY 667          2HA       GLY 667  11.181   3.209  -1.658
  152   2HA   GLY 667          1HA       GLY 667  11.703   4.887  -1.630
  153    H    ARG 668           H        ARG 668  12.598   2.795   0.981
  154    HA   ARG 668           HA       ARG 668  15.303   2.536  -0.148
  155   1HB   ARG 668          2HB       ARG 668  14.432   3.815   2.343
  156   2HB   ARG 668          1HB       ARG 668  15.728   2.648   2.567
  157   1HG   ARG 668          2HG       ARG 668  16.936   3.861   0.690
  158   2HG   ARG 668          1HG       ARG 668  15.729   5.132   0.887
  159   1HD   ARG 668          2HD       ARG 668  17.688   5.687   2.176
  160   2HD   ARG 668          1HD       ARG 668  16.357   5.309   3.269
  161    HE   ARG 668           HE       ARG 668  17.651   2.946   3.028
  162   1HH1  ARG 668          1HH1      ARG 668  18.702   6.173   3.841
  163   2HH1  ARG 668          2HH1      ARG 668  19.995   5.631   4.857
  164   1HH2  ARG 668          1HH2      ARG 668  19.351   2.231   4.365
  165   2HH2  ARG 668          2HH2      ARG 668  20.364   3.393   5.155
  166    H    LYS 669           H        LYS 669  13.515   1.435   2.742
  167    HA   LYS 669           HA       LYS 669  13.712  -1.314   1.905
  168   1HB   LYS 669          2HB       LYS 669  15.117  -2.130   3.620
  169   2HB   LYS 669          1HB       LYS 669  15.956  -0.741   2.947
  170   1HG   LYS 669          2HG       LYS 669  16.238  -0.370   5.183
  171   2HG   LYS 669          1HG       LYS 669  14.754   0.541   4.890
  172   1HD   LYS 669          2HD       LYS 669  13.856  -0.651   6.552
  173   2HD   LYS 669          1HD       LYS 669  13.849  -2.014   5.431
  174   1HE   LYS 669          2HE       LYS 669  16.436  -1.979   6.405
  175   2HE   LYS 669          1HE       LYS 669  15.457  -1.561   7.812
  176   1HZ   LYS 669          1HZ       LYS 669  15.616  -4.057   6.339
  177   2HZ   LYS 669          2HZ       LYS 669  14.061  -3.597   6.819
  178   3HZ   LYS 669          3HZ       LYS 669  15.281  -3.783   7.975
  179    H    ALA 670           H        ALA 670  12.460  -2.739   3.176
  180    HA   ALA 670           HA       ALA 670  10.834  -1.554   5.299
  181   1HB   ALA 670          1HB       ALA 670   9.877  -1.924   2.677
  182   2HB   ALA 670          2HB       ALA 670   8.962  -1.464   4.112
  183   3HB   ALA 670          3HB       ALA 670   9.120  -3.165   3.675
  184    H    SER 671           H        SER 671  10.127  -2.992   6.847
  185    HA   SER 671           HA       SER 671  11.021  -5.780   6.516
  186   1HB   SER 671          2HB       SER 671  11.292  -5.749   9.043
  187   2HB   SER 671          1HB       SER 671  12.454  -4.786   8.132
  188    HG   SER 671           HG       SER 671  11.528  -3.694   9.968
  189    H    GLU 672           H        GLU 672   8.322  -3.845   6.851
  190    HA   GLU 672           HA       GLU 672   6.805  -5.989   8.180
  191   1HB   GLU 672          2HB       GLU 672   5.679  -3.247   7.729
  192   2HB   GLU 672          1HB       GLU 672   5.264  -4.428   8.960
  193   1HG   GLU 672          2HG       GLU 672   7.995  -3.258   9.000
  194   2HG   GLU 672          1HG       GLU 672   6.642  -2.261   9.530
  195    H    THR 673           H        THR 673   4.673  -6.466   7.335
  196    HA   THR 673           HA       THR 673   4.370  -5.845   4.479
  197    HB   THR 673           HB       THR 673   4.213  -8.570   5.779
  198    HG1  THR 673           1HG      THR 673   6.257  -8.237   5.184
  199   1HG2  THR 673          1HG2      THR 673   3.563  -9.511   3.689
  200   2HG2  THR 673          2HG2      THR 673   3.618  -7.936   2.899
  201   3HG2  THR 673          3HG2      THR 673   2.386  -8.269   4.116
  202    H    CYS 674           H        CYS 674   2.323  -5.535   3.754
  203    HA   CYS 674           HA       CYS 674   0.300  -4.947   5.658
  204   1HB   CYS 674          2HB       CYS 674   0.434  -3.705   3.581
  205   2HB   CYS 674          1HB       CYS 674   0.211  -5.177   2.643
  206    H    SER 675           H        SER 675  -0.602  -6.559   6.789
  207    HA   SER 675           HA       SER 675  -0.902  -9.208   5.869
  208   1HB   SER 675          2HB       SER 675  -1.941  -9.663   7.937
  209   2HB   SER 675          1HB       SER 675  -0.808  -8.357   8.287
  210    HG   SER 675           HG       SER 675  -2.684  -6.930   7.924
  211    H    GLY 676           H        GLY 676  -2.697  -6.468   5.077
  212   1HA   GLY 676          2HA       GLY 676  -5.283  -7.697   4.885
  213   2HA   GLY 676          1HA       GLY 676  -4.810  -6.151   4.198
  214    H    CYS 677           H        CYS 677  -2.835  -6.757   2.467
  215    HA   CYS 677           HA       CYS 677  -4.179  -8.546   0.560
  216   1HB   CYS 677          2HB       CYS 677  -2.982  -7.259  -1.197
  217   2HB   CYS 677          1HB       CYS 677  -4.079  -6.267  -0.245
  218    H    ASN 678           H        ASN 678  -1.452  -8.262   2.530
  219    HA   ASN 678           HA       ASN 678   0.461  -9.463   2.755
  220   1HB   ASN 678          2HB       ASN 678  -1.450 -11.261   1.493
  221   2HB   ASN 678          1HB       ASN 678   0.212 -11.671   1.079
  222   1HD2  ASN 678          1HD2      ASN 678   1.729 -11.659   3.005
  223   2HD2  ASN 678          2HD2      ASN 678   1.139 -12.411   4.444
  224    H    THR 679           H        THR 679   0.081  -7.530   0.482
  225    HA   THR 679           HA       THR 679   2.278  -8.512  -1.215
  226    HB   THR 679           HB       THR 679  -0.034  -6.729  -1.985
  227    HG1  THR 679           1HG      THR 679  -0.425  -9.029  -1.824
  228   1HG2  THR 679          1HG2      THR 679   1.089  -7.485  -4.325
  229   2HG2  THR 679          2HG2      THR 679   2.519  -7.241  -3.322
  230   3HG2  THR 679          3HG2      THR 679   1.360  -5.930  -3.537
  231    H    ALA 680           H        ALA 680   0.849  -5.723   0.375
  232    HA   ALA 680           HA       ALA 680   2.860  -3.881  -0.456
  233   1HB   ALA 680          1HB       ALA 680   0.394  -3.775   0.962
  234   2HB   ALA 680          2HB       ALA 680   1.311  -2.458   0.231
  235   3HB   ALA 680          3HB       ALA 680   1.629  -2.933   1.898
  236    H    ARG 681           H        ARG 681   4.400  -2.821   0.890
  237    HA   ARG 681           HA       ARG 681   5.210  -4.261   3.310
  238   1HB   ARG 681          2HB       ARG 681   6.996  -3.618   0.959
  239   2HB   ARG 681          1HB       ARG 681   7.600  -4.091   2.542
  240   1HG   ARG 681          2HG       ARG 681   5.607  -5.886   1.309
  241   2HG   ARG 681          1HG       ARG 681   7.196  -5.818   0.543
  242   1HD   ARG 681          2HD       ARG 681   6.995  -6.132   3.504
  243   2HD   ARG 681          1HD       ARG 681   6.722  -7.528   2.464
  244    HE   ARG 681           HE       ARG 681   9.230  -6.198   2.977
  245   1HH1  ARG 681          1HH1      ARG 681   7.471  -8.306   0.822
  246   2HH1  ARG 681          2HH1      ARG 681   8.898  -9.032   0.165
  247   1HH2  ARG 681          1HH2      ARG 681  11.108  -7.153   2.114
  248   2HH2  ARG 681          2HH2      ARG 681  10.963  -8.377   0.899
  249    H    TYR 682           H        TYR 682   6.128  -2.974   4.884
  250    HA   TYR 682           HA       TYR 682   6.899  -0.249   4.274
  251   1HB   TYR 682          2HB       TYR 682   4.536  -0.893   6.046
  252   2HB   TYR 682          1HB       TYR 682   5.357   0.664   6.048
  253    HD1  TYR 682           1HD      TYR 682   5.367   2.029   3.924
  254    HD2  TYR 682           2HD      TYR 682   2.905  -1.406   4.419
  255    HE1  TYR 682           1HE      TYR 682   3.953   2.780   2.058
  256    HE2  TYR 682           2HE      TYR 682   1.484  -0.664   2.554
  257    HH   TYR 682           HH       TYR 682   2.383   1.661   0.370
  258    H    CYS 683           H        CYS 683   8.171   0.701   5.908
  259    HA   CYS 683           HA       CYS 683   9.286  -1.248   7.760
  260   1HB   CYS 683          2HB       CYS 683  11.174   0.222   7.973
  261   2HB   CYS 683          1HB       CYS 683  10.785   0.074   6.265
  262    H    GLY 684           H        GLY 684   7.148   1.448   7.805
  263   1HA   GLY 684          2HA       GLY 684   7.027   1.233  10.713
  264   2HA   GLY 684          1HA       GLY 684   7.427   2.815  10.062
  265    H    SER 685           H        SER 685   5.122   1.965  11.645
  266    HA   SER 685           HA       SER 685   2.775   1.595  10.275
  267   1HB   SER 685          2HB       SER 685   1.859   3.199  12.201
  268   2HB   SER 685          1HB       SER 685   2.416   1.560  12.538
  269    HG   SER 685           HG       SER 685   3.959   3.932  12.782
  270    H    PHE 686           H        PHE 686   4.655   4.542  10.552
  271    HA   PHE 686           HA       PHE 686   2.618   6.262   9.534
  272   1HB   PHE 686          2HB       PHE 686   4.372   7.943   9.356
  273   2HB   PHE 686          1HB       PHE 686   4.487   7.111  10.901
  274    HD1  PHE 686           1HD      PHE 686   6.272   5.411  11.247
  275    HD2  PHE 686           2HD      PHE 686   6.142   7.904   7.800
  276    HE1  PHE 686           1HE      PHE 686   8.637   4.907  10.799
  277    HE2  PHE 686           2HE      PHE 686   8.507   7.404   7.345
  278    HZ   PHE 686           HZ       PHE 686   9.759   5.903   8.845
  279    H    CYS 687           H        CYS 687   5.230   4.392   8.114
  280    HA   CYS 687           HA       CYS 687   5.189   5.534   5.547
  281   1HB   CYS 687          2HB       CYS 687   5.865   2.674   6.242
  282   2HB   CYS 687          1HB       CYS 687   6.400   3.575   4.827
  283    H    GLN 688           H        GLN 688   3.392   2.803   6.908
  284    HA   GLN 688           HA       GLN 688   2.154   2.045   4.488
  285   1HB   GLN 688          2HB       GLN 688   0.687   0.691   5.805
  286   2HB   GLN 688          1HB       GLN 688   2.303   0.589   6.482
  287   1HG   GLN 688          2HG       GLN 688   1.569   1.243   8.458
  288   2HG   GLN 688          1HG       GLN 688   0.864   2.699   7.765
  289   1HE2  GLN 688          1HE2      GLN 688  -0.002  -0.621   7.012
  290   2HE2  GLN 688          2HE2      GLN 688  -1.615  -0.525   7.608
  291    H    HIS 689           H        HIS 689   1.250   4.344   7.001
  292    HA   HIS 689           HA       HIS 689  -1.353   4.867   5.992
  293   1HB   HIS 689          2HB       HIS 689   0.434   6.054   8.037
  294   2HB   HIS 689          1HB       HIS 689  -0.814   7.107   7.379
  295    HD1  HIS 689           1HD      HIS 689  -1.620   6.907   9.996
  296    HD2  HIS 689           2HD      HIS 689  -2.143   3.576   7.568
  297    HE1  HIS 689           1HE      HIS 689  -3.320   5.476  11.175
  298    HE2  HIS 689           2HE      HIS 689  -3.558   3.427   9.729
  299    H    LYS 690           H        LYS 690   1.810   6.320   5.467
  300    HA   LYS 690           HA       LYS 690   1.042   8.635   4.121
  301   1HB   LYS 690          2HB       LYS 690   3.399   7.689   4.878
  302   2HB   LYS 690          1HB       LYS 690   3.465   7.159   3.204
  303   1HG   LYS 690          2HG       LYS 690   3.141   9.981   4.197
  304   2HG   LYS 690          1HG       LYS 690   4.556   9.284   3.406
  305   1HD   LYS 690          2HD       LYS 690   1.830   9.646   2.162
  306   2HD   LYS 690          1HD       LYS 690   3.247  10.650   1.855
  307   1HE   LYS 690          2HE       LYS 690   4.409   8.825   0.842
  308   2HE   LYS 690          1HE       LYS 690   3.167   7.682   1.344
  309   1HZ   LYS 690          1HZ       LYS 690   2.837   9.876  -0.630
  310   2HZ   LYS 690          2HZ       LYS 690   1.596   8.851  -0.108
  311   3HZ   LYS 690          3HZ       LYS 690   2.906   8.220  -0.973
  312    H    ASP 691           H        ASP 691   1.901   5.468   2.756
  313    HA   ASP 691           HA       ASP 691   0.998   6.282   0.127
  314   1HB   ASP 691          2HB       ASP 691   2.410   3.925   1.266
  315   2HB   ASP 691          1HB       ASP 691   1.479   3.672  -0.207
  316    H    TRP 692           H        TRP 692  -0.454   5.038   2.895
  317    HA   TRP 692           HA       TRP 692  -2.216   3.121   2.142
  318   1HB   TRP 692          2HB       TRP 692  -2.087   3.997   4.420
  319   2HB   TRP 692          1HB       TRP 692  -2.829   5.505   3.898
  320    HD1  TRP 692           HD       TRP 692  -5.106   5.461   5.110
  321    HE1  TRP 692           1HE      TRP 692  -7.103   3.835   5.179
  322    HE3  TRP 692           3HE      TRP 692  -3.063   1.530   2.544
  323    HZ2  TRP 692           2HZ      TRP 692  -7.732   1.247   4.268
  324    HZ3  TRP 692           3HZ      TRP 692  -4.432  -0.479   2.186
  325    HH2  TRP 692           HH       TRP 692  -6.718  -0.617   3.033
  326    H    GLU 693           H        GLU 693  -2.644   6.618   1.595
  327    HA   GLU 693           HA       GLU 693  -5.197   6.597   0.564
  328   1HB   GLU 693          2HB       GLU 693  -4.812   8.764   0.191
  329   2HB   GLU 693          1HB       GLU 693  -3.213   8.481   0.863
  330   1HG   GLU 693          2HG       GLU 693  -2.388   8.035  -1.436
  331   2HG   GLU 693          1HG       GLU 693  -3.982   8.479  -2.047
  332    H    LYS 694           H        LYS 694  -2.156   5.909  -1.110
  333    HA   LYS 694           HA       LYS 694  -3.535   5.480  -3.621
  334   1HB   LYS 694          2HB       LYS 694  -0.647   5.331  -2.785
  335   2HB   LYS 694          1HB       LYS 694  -1.185   4.820  -4.379
  336   1HG   LYS 694          2HG       LYS 694  -2.002   7.042  -4.858
  337   2HG   LYS 694          1HG       LYS 694  -1.587   7.573  -3.227
  338   1HD   LYS 694          2HD       LYS 694   0.486   6.423  -5.066
  339   2HD   LYS 694          1HD       LYS 694   0.039   8.129  -5.143
  340   1HE   LYS 694          2HE       LYS 694   0.418   7.698  -2.449
  341   2HE   LYS 694          1HE       LYS 694   1.669   6.702  -3.191
  342   1HZ   LYS 694          1HZ       LYS 694   2.218   8.759  -4.543
  343   2HZ   LYS 694          2HZ       LYS 694   2.638   8.792  -2.906
  344   3HZ   LYS 694          3HZ       LYS 694   1.265   9.621  -3.442
  345    H    HIS 695           H        HIS 695  -1.663   3.545  -1.300
  346    HA   HIS 695           HA       HIS 695  -1.827   1.108  -2.626
  347   1HB   HIS 695          2HB       HIS 695  -0.309   1.491  -0.753
  348   2HB   HIS 695          1HB       HIS 695  -1.678   1.609   0.351
  349    HD1  HIS 695           1HD      HIS 695  -0.550  -1.016  -2.198
  350    HD2  HIS 695           2HD      HIS 695  -1.957  -0.677   1.696
  351    HE1  HIS 695           1HE      HIS 695  -0.699  -3.371  -1.293
  352    H    HIS 696           H        HIS 696  -4.091   2.502  -0.256
  353    HA   HIS 696           HA       HIS 696  -5.664   0.274   0.132
  354   1HB   HIS 696          2HB       HIS 696  -7.355   1.678   1.005
  355   2HB   HIS 696          1HB       HIS 696  -5.814   2.410   1.419
  356    HD1  HIS 696           1HD      HIS 696  -8.230   2.803  -1.521
  357    HD2  HIS 696           2HD      HIS 696  -6.010   5.049   1.171
  358    HE1  HIS 696           1HE      HIS 696  -8.732   5.206  -2.067
  359    HE2  HIS 696           2HE      HIS 696  -7.297   6.545  -0.496
  360    H    HIS 697           H        HIS 697  -5.585   2.359  -2.690
  361    HA   HIS 697           HA       HIS 697  -8.110   1.671  -3.755
  362   1HB   HIS 697          2HB       HIS 697  -5.563   2.232  -5.294
  363   2HB   HIS 697          1HB       HIS 697  -7.204   2.339  -5.914
  364    HD1  HIS 697           1HD      HIS 697  -8.638   4.140  -4.082
  365    HD2  HIS 697           2HD      HIS 697  -4.633   4.722  -5.018
  366    HE1  HIS 697           1HE      HIS 697  -8.190   6.577  -3.646
  367    HE2  HIS 697           2HE      HIS 697  -5.786   6.924  -4.309
  368    H    ILE 698           H        ILE 698  -5.023   0.041  -3.610
  369    HA   ILE 698           HA       ILE 698  -5.893  -2.055  -5.438
  370    HB   ILE 698           HB       ILE 698  -3.302  -2.164  -3.947
  371   1HG1  ILE 698          2HG1      ILE 698  -3.578  -0.624  -6.524
  372   2HG1  ILE 698          1HG1      ILE 698  -3.668   0.174  -4.958
  373   1HG2  ILE 698          1HG2      ILE 698  -3.366  -4.024  -5.221
  374   2HG2  ILE 698          2HG2      ILE 698  -2.770  -2.922  -6.463
  375   3HG2  ILE 698          3HG2      ILE 698  -4.487  -3.319  -6.387
  376   1HD1  ILE 698          1HD1      ILE 698  -1.434  -0.511  -4.419
  377   2HD1  ILE 698          2HD1      ILE 698  -1.433   0.276  -5.997
  378   3HD1  ILE 698          3HD1      ILE 698  -1.338  -1.482  -5.888
  379    H    CYS 699           H        CYS 699  -4.629  -1.837  -2.115
  380    HA   CYS 699           HA       CYS 699  -4.691  -4.346  -1.205
  381   1HB   CYS 699          2HB       CYS 699  -4.317  -2.128   0.062
  382   2HB   CYS 699          1HB       CYS 699  -6.035  -2.216   0.432
  383    H    GLY 700           H        GLY 700  -6.128  -5.785  -0.236
  384   1HA   GLY 700          2HA       GLY 700  -8.224  -6.636   0.358
  385   2HA   GLY 700          1HA       GLY 700  -8.985  -5.257  -0.418
  386    H    GLN 701           H        GLN 701  -7.153  -5.861  -2.823
  387    HA   GLN 701           HA       GLN 701  -7.332  -6.944  -4.814
  388   1HB   GLN 701          2HB       GLN 701  -8.432  -9.224  -3.160
  389   2HB   GLN 701          1HB       GLN 701  -7.789  -9.338  -4.792
  390   1HG   GLN 701          2HG       GLN 701  -5.586  -8.683  -3.974
  391   2HG   GLN 701          1HG       GLN 701  -6.229  -8.563  -2.338
  392   1HE2  GLN 701          1HE2      GLN 701  -7.730 -10.742  -2.038
  393   2HE2  GLN 701          2HE2      GLN 701  -6.789 -12.179  -2.214
  394    H    THR 702           H        THR 702  -8.941  -7.981  -6.341
  395    HA   THR 702           HA       THR 702 -10.935  -7.882  -7.429
  396    HB   THR 702           HB       THR 702 -12.319  -7.760  -4.763
  397    HG1  THR 702           1HG      THR 702 -10.972  -9.958  -5.923
  398   1HG2  THR 702          1HG2      THR 702 -13.322  -8.026  -7.284
  399   2HG2  THR 702          2HG2      THR 702 -14.123  -8.545  -5.801
  400   3HG2  THR 702          3HG2      THR 702 -13.190  -9.702  -6.751
  401    H    LEU 703           H        LEU 703 -10.846  -5.898  -8.387
  402    HA   LEU 703           HA       LEU 703 -11.185  -3.435  -7.062
  403   1HB   LEU 703          2HB       LEU 703 -11.738  -4.046  -9.965
  404   2HB   LEU 703          1HB       LEU 703 -11.419  -2.467  -9.272
  405    HG   LEU 703           HG       LEU 703  -9.204  -4.039  -8.570
  406   1HD1  LEU 703          1HD1      LEU 703  -9.327  -5.716 -10.087
  407   2HD1  LEU 703          2HD1      LEU 703  -8.581  -4.496 -11.120
  408   3HD1  LEU 703          3HD1      LEU 703 -10.319  -4.782 -11.208
  409   1HD2  LEU 703          1HD2      LEU 703  -9.304  -1.619  -9.147
  410   2HD2  LEU 703          2HD2      LEU 703  -9.432  -2.077 -10.846
  411   3HD2  LEU 703          3HD2      LEU 703  -7.983  -2.489  -9.928
  412    H    GLN 704           H        GLN 704 -12.948  -2.024  -6.965
  413    HA   GLN 704           HA       GLN 704 -15.484  -3.302  -6.625
  414   1HB   GLN 704          2HB       GLN 704 -14.586  -1.363  -5.257
  415   2HB   GLN 704          1HB       GLN 704 -14.944  -0.333  -6.637
  416   1HG   GLN 704          2HG       GLN 704 -17.242  -0.621  -6.413
  417   2HG   GLN 704          1HG       GLN 704 -17.058  -2.064  -5.417
  418   1HE2  GLN 704          1HE2      GLN 704 -18.692  -0.667  -4.214
  419   2HE2  GLN 704          2HE2      GLN 704 -18.048   0.375  -2.996
  420    H    ALA 705           H        ALA 705 -16.386  -4.013  -8.490
  421    HA   ALA 705           HA       ALA 705 -17.132  -1.957 -10.446
  422   1HB   ALA 705          1HB       ALA 705 -15.550  -4.401 -10.940
  423   2HB   ALA 705          2HB       ALA 705 -15.551  -2.855 -11.790
  424   3HB   ALA 705          3HB       ALA 705 -16.819  -4.038 -12.110
  425    H    GLN 706           H        GLN 706 -17.587  -5.451  -9.862
  426    HA   GLN 706           HA       GLN 706 -20.409  -5.174 -10.540
  427   1HB   GLN 706          2HB       GLN 706 -18.859  -7.677  -9.856
  428   2HB   GLN 706          1HB       GLN 706 -20.465  -7.597 -10.568
  429   1HG   GLN 706          2HG       GLN 706 -19.667  -7.303 -12.628
  430   2HG   GLN 706          1HG       GLN 706 -18.436  -6.161 -12.094
  431   1HE2  GLN 706          1HE2      GLN 706 -18.884  -9.065 -13.506
  432   2HE2  GLN 706          2HE2      GLN 706 -17.386  -9.828 -13.111
  433    H    GLN 707           H        GLN 707 -21.857  -4.786  -9.013
  434    HA   GLN 707           HA       GLN 707 -22.934  -4.717  -7.012
  435   1HB   GLN 707          2HB       GLN 707 -21.835  -7.354  -7.236
  436   2HB   GLN 707          1HB       GLN 707 -21.763  -6.848  -5.554
  437   1HG   GLN 707          2HG       GLN 707 -24.281  -6.086  -6.258
  438   2HG   GLN 707          1HG       GLN 707 -24.061  -7.551  -7.212
  439   1HE2  GLN 707          1HE2      GLN 707 -24.737  -9.310  -6.243
  440   2HE2  GLN 707          2HE2      GLN 707 -24.739  -9.608  -4.542
  Start of MODEL    2
    1    H    THR1101           H        THR1101  -8.486  13.420   4.685
    2    HA   THR1101           HA       THR1101  -8.651  11.583   6.054
    3    HB   THR1101           HB       THR1101 -10.561  13.140   6.029
    4    HG1  THR1101           1HG      THR1101 -10.728  11.475   7.489
    5   1HG2  THR1101          1HG2      THR1101 -12.557  11.591   4.791
    6   2HG2  THR1101          2HG2      THR1101 -11.254  11.796   3.621
    7   3HG2  THR1101          3HG2      THR1101 -12.004  13.210   4.362
    8    H    ILE1102           H        ILE1102  -8.736   9.415   6.326
    9    HA   ILE1102           HA       ILE1102  -9.962   7.730   4.291
   10    HB   ILE1102           HB       ILE1102  -7.095   7.251   5.087
   11   1HG1  ILE1102          2HG1      ILE1102  -8.147   8.490   2.533
   12   2HG1  ILE1102          1HG1      ILE1102  -7.265   9.345   3.795
   13   1HG2  ILE1102          1HG2      ILE1102  -8.926   6.030   3.036
   14   2HG2  ILE1102          2HG2      ILE1102  -8.177   5.244   4.425
   15   3HG2  ILE1102          3HG2      ILE1102  -7.183   5.764   3.064
   16   1HD1  ILE1102          1HD1      ILE1102  -6.227   8.028   1.554
   17   2HD1  ILE1102          2HD1      ILE1102  -5.766   7.060   2.955
   18   3HD1  ILE1102          3HD1      ILE1102  -5.337   8.769   2.885
   19    H    SER1103           H        SER1103 -10.108   5.467   4.957
   20    HA   SER1103           HA       SER1103 -10.859   5.234   7.689
   21   1HB   SER1103          2HB       SER1103 -11.774   3.968   5.605
   22   2HB   SER1103          1HB       SER1103 -10.431   2.861   5.894
   23    HG   SER1103           HG       SER1103 -12.265   3.587   7.923
   24    H    ASN1104           H        ASN1104 -10.068   2.838   8.606
   25    HA   ASN1104           HA       ASN1104  -7.213   3.270   9.092
   26   1HB   ASN1104          2HB       ASN1104  -9.324   1.742  10.615
   27   2HB   ASN1104          1HB       ASN1104  -7.612   1.676  11.021
   28   1HD2  ASN1104          1HD2      ASN1104 -10.199   2.846  12.232
   29   2HD2  ASN1104          2HD2      ASN1104  -9.705   4.418  12.751
   30    HA   PRO1105           HA       PRO1105  -6.534  -0.253   6.369
   31   1HB   PRO1105          2HB       PRO1105  -3.819  -0.280   6.631
   32   2HB   PRO1105          1HB       PRO1105  -4.681   0.818   5.550
   33   1HG   PRO1105          2HG       PRO1105  -3.591   1.325   8.290
   34   2HG   PRO1105          1HG       PRO1105  -3.527   2.360   6.851
   35   1HD   PRO1105          2HD       PRO1105  -5.302   2.775   8.835
   36   2HD   PRO1105          1HD       PRO1105  -5.696   3.105   7.135
   37    HA   PRO1106           HA       PRO1106  -5.899  -3.671   9.089
   38   1HB   PRO1106          2HB       PRO1106  -4.477  -5.428   7.612
   39   2HB   PRO1106          1HB       PRO1106  -6.159  -5.029   7.244
   40   1HG   PRO1106          2HG       PRO1106  -3.649  -3.998   5.982
   41   2HG   PRO1106          1HG       PRO1106  -5.162  -4.505   5.210
   42   1HD   PRO1106          2HD       PRO1106  -4.525  -1.898   5.660
   43   2HD   PRO1106          1HD       PRO1106  -6.195  -2.497   5.628
   44    HA   PRO1107           HA       PRO1107  -2.021  -3.591  11.197
   45   1HB   PRO1107          2HB       PRO1107  -1.642  -6.159  11.977
   46   2HB   PRO1107          1HB       PRO1107  -2.876  -5.115  12.692
   47   1HG   PRO1107          2HG       PRO1107  -3.165  -7.214  10.576
   48   2HG   PRO1107          1HG       PRO1107  -4.204  -6.887  11.977
   49   1HD   PRO1107          2HD       PRO1107  -4.817  -6.047   9.475
   50   2HD   PRO1107          1HD       PRO1107  -5.278  -5.139  10.930
   51    H    LEU1108           H        LEU1108   0.208  -4.093  11.087
   52    HA   LEU1108           HA       LEU1108   1.030  -5.129   8.478
   53   1HB   LEU1108          2HB       LEU1108   2.264  -3.330  10.514
   54   2HB   LEU1108          1HB       LEU1108   3.319  -4.217   9.431
   55    HG   LEU1108           HG       LEU1108   1.104  -2.409   8.473
   56   1HD1  LEU1108          1HD1      LEU1108   2.422  -0.783   9.320
   57   2HD1  LEU1108          2HD1      LEU1108   3.350  -1.078   7.849
   58   3HD1  LEU1108          3HD1      LEU1108   3.851  -1.814   9.370
   59   1HD2  LEU1108          1HD2      LEU1108   3.530  -3.290   6.951
   60   2HD2  LEU1108          2HD2      LEU1108   1.998  -2.666   6.340
   61   3HD2  LEU1108          3HD2      LEU1108   2.080  -4.292   7.016
   62    H    ILE1109           H        ILE1109   2.541  -6.775   8.230
   63    HA   ILE1109           HA       ILE1109   3.036  -8.387  10.648
   64    HB   ILE1109           HB       ILE1109   3.371 -10.239   8.775
   65   1HG1  ILE1109          2HG1      ILE1109   1.181  -8.567   7.551
   66   2HG1  ILE1109          1HG1      ILE1109   2.846  -8.507   6.986
   67   1HG2  ILE1109          1HG2      ILE1109   1.657  -9.937  10.734
   68   2HG2  ILE1109          2HG2      ILE1109   1.377 -11.141   9.476
   69   3HG2  ILE1109          3HG2      ILE1109   0.533  -9.592   9.419
   70   1HD1  ILE1109          1HD1      ILE1109   1.489 -11.143   7.180
   71   2HD1  ILE1109          2HD1      ILE1109   2.760 -10.604   6.082
   72   3HD1  ILE1109          3HD1      ILE1109   1.098 -10.065   5.840
   73    H    SER1110           H        SER1110   5.089  -8.577  11.240
   74    HA   SER1110           HA       SER1110   7.186  -7.699   9.430
   75   1HB   SER1110          2HB       SER1110   8.547  -8.334  11.650
   76   2HB   SER1110          1HB       SER1110   7.693  -6.801  11.473
   77    HG   SER1110           HG       SER1110   6.806  -9.138  12.808
   78    H    SER1111           H        SER1111   8.488  -9.011   8.332
   79    HA   SER1111           HA       SER1111   8.592 -11.851   9.111
   80   1HB   SER1111          2HB       SER1111   8.904 -12.317   6.638
   81   2HB   SER1111          1HB       SER1111   7.298 -11.758   7.104
   82    HG   SER1111           HG       SER1111   7.980  -9.640   6.450
   83    H    ALA1112           H        ALA1112  10.551 -12.383   9.788
   84    HA   ALA1112           HA       ALA1112  12.887 -11.770   8.241
   85   1HB   ALA1112          1HB       ALA1112  13.207  -9.771   9.253
   86   2HB   ALA1112          2HB       ALA1112  13.927 -10.787  10.502
   87   3HB   ALA1112          3HB       ALA1112  12.268 -10.216  10.677
   88    H    LYS1113           H        LYS1113  13.121 -14.011   8.191
   89    HA   LYS1113           HA       LYS1113  13.526 -15.391  10.741
   90   1HB   LYS1113          2HB       LYS1113  13.342 -16.487   7.928
   91   2HB   LYS1113          1HB       LYS1113  13.494 -17.453   9.389
   92   1HG   LYS1113          2HG       LYS1113  11.282 -15.679   9.688
   93   2HG   LYS1113          1HG       LYS1113  11.143 -16.518   8.142
   94   1HD   LYS1113          2HD       LYS1113  11.561 -18.664   9.390
   95   2HD   LYS1113          1HD       LYS1113  11.405 -17.738  10.885
   96   1HE   LYS1113          2HE       LYS1113   9.285 -18.716  10.452
   97   2HE   LYS1113          1HE       LYS1113   9.147 -17.000  10.073
   98   1HZ   LYS1113          1HZ       LYS1113   8.233 -17.803   8.196
   99   2HZ   LYS1113          2HZ       LYS1113   9.003 -19.304   8.312
  100   3HZ   LYS1113          3HZ       LYS1113   9.843 -17.970   7.700
  101    H    ASP 658           H        ASP 658   8.549 -12.813  -5.809
  102    HA   ASP 658           HA       ASP 658  11.434 -12.565  -6.302
  103   1HB   ASP 658          2HB       ASP 658   9.670 -11.391  -7.974
  104   2HB   ASP 658          1HB       ASP 658   9.804 -10.132  -6.751
  105    H    SER 659           H        SER 659  11.743 -12.869  -4.063
  106    HA   SER 659           HA       SER 659  10.449 -11.312  -2.083
  107   1HB   SER 659          2HB       SER 659  12.141 -12.180  -0.556
  108   2HB   SER 659          1HB       SER 659  11.571 -13.473  -1.611
  109    HG   SER 659           HG       SER 659  13.466 -12.940  -2.941
  110    H    SER 660           H        SER 660  10.597  -9.168  -2.938
  111    HA   SER 660           HA       SER 660  13.270  -7.956  -2.781
  112   1HB   SER 660          2HB       SER 660  12.259  -6.060  -4.036
  113   2HB   SER 660          1HB       SER 660  12.161  -7.587  -4.913
  114    HG   SER 660           HG       SER 660  10.014  -7.724  -4.436
  115    H    GLU 661           H        GLU 661  13.759  -6.750  -1.078
  116    HA   GLU 661           HA       GLU 661  11.611  -5.925   0.731
  117   1HB   GLU 661          2HB       GLU 661  14.449  -6.642   1.036
  118   2HB   GLU 661          1HB       GLU 661  13.937  -5.274   2.013
  119   1HG   GLU 661          2HG       GLU 661  12.978  -6.621   3.476
  120   2HG   GLU 661          1HG       GLU 661  11.986  -7.346   2.213
  121    H    SER 662           H        SER 662  10.823  -3.954   0.430
  122    HA   SER 662           HA       SER 662  12.470  -1.649   0.515
  123   1HB   SER 662          2HB       SER 662  11.400  -0.939  -1.866
  124   2HB   SER 662          1HB       SER 662  13.011  -1.635  -1.692
  125    HG   SER 662           HG       SER 662  12.201  -3.031  -3.066
  126    H    CYS 663           H        CYS 663  11.324   0.021   1.297
  127    HA   CYS 663           HA       CYS 663   8.607  -0.338   2.011
  128   1HB   CYS 663          2HB       CYS 663  10.451   1.071   3.155
  129   2HB   CYS 663          1HB       CYS 663  10.013   2.314   1.992
  130    H    TRP 664           H        TRP 664   6.818   0.082   0.894
  131    HA   TRP 664           HA       TRP 664   6.867   0.986  -1.769
  132   1HB   TRP 664          2HB       TRP 664   4.623   0.619   0.212
  133   2HB   TRP 664          1HB       TRP 664   4.337   1.165  -1.437
  134    HD1  TRP 664           HD       TRP 664   6.927  -1.550  -0.645
  135    HE1  TRP 664           1HE      TRP 664   6.139  -3.764  -1.700
  136    HE3  TRP 664           3HE      TRP 664   2.274  -0.104  -2.226
  137    HZ2  TRP 664           2HZ      TRP 664   3.861  -4.763  -3.023
  138    HZ3  TRP 664           3HZ      TRP 664   0.860  -1.756  -3.375
  139    HH2  TRP 664           HH       TRP 664   1.636  -4.033  -3.765
  140    H    ASN 665           H        ASN 665   6.778   2.704   1.202
  141    HA   ASN 665           HA       ASN 665   5.852   5.161  -0.108
  142   1HB   ASN 665          2HB       ASN 665   4.636   4.930   1.857
  143   2HB   ASN 665          1HB       ASN 665   5.993   4.237   2.738
  144   1HD2  ASN 665          1HD2      ASN 665   6.632   5.513   4.300
  145   2HD2  ASN 665          2HD2      ASN 665   6.710   7.237   4.253
  146    H    CYS 666           H        CYS 666   8.339   4.297   2.311
  147    HA   CYS 666           HA       CYS 666   9.877   6.588   2.041
  148   1HB   CYS 666          2HB       CYS 666  10.620   3.795   2.887
  149   2HB   CYS 666          1HB       CYS 666  11.771   5.124   2.920
  150    H    GLY 667           H        GLY 667  10.629   3.392   0.578
  151   1HA   GLY 667          2HA       GLY 667  11.248   3.177  -1.720
  152   2HA   GLY 667          1HA       GLY 667  11.790   4.849  -1.697
  153    H    ARG 668           H        ARG 668  12.661   2.911   1.005
  154    HA   ARG 668           HA       ARG 668  15.373   2.584  -0.099
  155   1HB   ARG 668          2HB       ARG 668  14.452   3.587   2.563
  156   2HB   ARG 668          1HB       ARG 668  15.985   2.736   2.455
  157   1HG   ARG 668          2HG       ARG 668  16.249   5.169   2.325
  158   2HG   ARG 668          1HG       ARG 668  16.817   4.353   0.866
  159   1HD   ARG 668          2HD       ARG 668  15.017   5.089  -0.399
  160   2HD   ARG 668          1HD       ARG 668  14.017   5.397   1.020
  161    HE   ARG 668           HE       ARG 668  16.251   7.101   1.074
  162   1HH1  ARG 668          1HH1      ARG 668  13.289   6.612  -0.706
  163   2HH1  ARG 668          2HH1      ARG 668  13.125   8.281  -1.137
  164   1HH2  ARG 668          1HH2      ARG 668  16.038   9.297   0.507
  165   2HH2  ARG 668          2HH2      ARG 668  14.686   9.805  -0.450
  166    H    LYS 669           H        LYS 669  13.540   1.464   2.753
  167    HA   LYS 669           HA       LYS 669  13.734  -1.280   1.902
  168   1HB   LYS 669          2HB       LYS 669  15.131  -2.115   3.610
  169   2HB   LYS 669          1HB       LYS 669  15.975  -0.718   2.958
  170   1HG   LYS 669          2HG       LYS 669  16.246  -0.344   5.187
  171   2HG   LYS 669          1HG       LYS 669  14.735   0.529   4.918
  172   1HD   LYS 669          2HD       LYS 669  13.835  -1.995   5.431
  173   2HD   LYS 669          1HD       LYS 669  15.260  -1.906   6.468
  174   1HE   LYS 669          2HE       LYS 669  12.982   0.071   6.422
  175   2HE   LYS 669          1HE       LYS 669  13.239  -1.175   7.643
  176   1HZ   LYS 669          1HZ       LYS 669  14.276   0.503   8.696
  177   2HZ   LYS 669          2HZ       LYS 669  14.588   1.371   7.279
  178   3HZ   LYS 669          3HZ       LYS 669  15.584   0.075   7.713
  179    H    ALA 670           H        ALA 670  12.478  -2.715   3.170
  180    HA   ALA 670           HA       ALA 670  10.845  -1.535   5.290
  181   1HB   ALA 670          1HB       ALA 670   9.240  -1.169   3.737
  182   2HB   ALA 670          2HB       ALA 670   8.899  -2.874   4.032
  183   3HB   ALA 670          3HB       ALA 670   9.869  -2.398   2.638
  184    H    SER 671           H        SER 671  10.122  -2.985   6.821
  185    HA   SER 671           HA       SER 671  10.991  -5.777   6.463
  186   1HB   SER 671          2HB       SER 671  11.304  -3.902   8.765
  187   2HB   SER 671          1HB       SER 671  11.091  -5.619   9.105
  188    HG   SER 671           HG       SER 671  13.297  -5.048   8.873
  189    H    GLU 672           H        GLU 672   8.312  -3.832   6.802
  190    HA   GLU 672           HA       GLU 672   6.785  -5.954   8.158
  191   1HB   GLU 672          2HB       GLU 672   5.686  -3.203   7.678
  192   2HB   GLU 672          1HB       GLU 672   5.246  -4.371   8.914
  193   1HG   GLU 672          2HG       GLU 672   8.010  -3.356   9.036
  194   2HG   GLU 672          1HG       GLU 672   6.737  -2.186   9.376
  195    H    THR 673           H        THR 673   4.676  -6.468   7.315
  196    HA   THR 673           HA       THR 673   4.353  -5.856   4.458
  197    HB   THR 673           HB       THR 673   4.180  -8.572   5.776
  198    HG1  THR 673           1HG      THR 673   5.797  -9.040   4.217
  199   1HG2  THR 673          1HG2      THR 673   3.548  -7.871   2.917
  200   2HG2  THR 673          2HG2      THR 673   2.377  -8.371   4.137
  201   3HG2  THR 673          3HG2      THR 673   3.629  -9.493   3.605
  202    H    CYS 674           H        CYS 674   2.306  -5.549   3.737
  203    HA   CYS 674           HA       CYS 674   0.285  -4.955   5.646
  204   1HB   CYS 674          2HB       CYS 674   0.418  -3.709   3.571
  205   2HB   CYS 674          1HB       CYS 674   0.192  -5.179   2.630
  206    H    SER 675           H        SER 675  -0.669  -6.540   6.762
  207    HA   SER 675           HA       SER 675  -0.954  -9.199   5.844
  208   1HB   SER 675          2HB       SER 675  -2.171  -9.602   7.889
  209   2HB   SER 675          1HB       SER 675  -0.828  -8.515   8.245
  210    HG   SER 675           HG       SER 675  -3.539  -7.773   7.840
  211    H    GLY 676           H        GLY 676  -2.733  -6.454   5.040
  212   1HA   GLY 676          2HA       GLY 676  -5.321  -7.685   4.831
  213   2HA   GLY 676          1HA       GLY 676  -4.848  -6.132   4.161
  214    H    CYS 677           H        CYS 677  -2.828  -6.764   2.458
  215    HA   CYS 677           HA       CYS 677  -4.172  -8.522   0.520
  216   1HB   CYS 677          2HB       CYS 677  -2.989  -7.223  -1.227
  217   2HB   CYS 677          1HB       CYS 677  -4.069  -6.229  -0.256
  218    H    ASN 678           H        ASN 678  -1.448  -8.237   2.498
  219    HA   ASN 678           HA       ASN 678   0.464  -9.439   2.726
  220   1HB   ASN 678          2HB       ASN 678  -1.344 -11.254   1.227
  221   2HB   ASN 678          1HB       ASN 678   0.365 -11.680   1.240
  222   1HD2  ASN 678          1HD2      ASN 678   1.304 -11.241   3.595
  223   2HD2  ASN 678          2HD2      ASN 678   0.414 -12.036   4.844
  224    H    THR 679           H        THR 679   0.098  -7.496   0.462
  225    HA   THR 679           HA       THR 679   2.301  -8.476  -1.230
  226    HB   THR 679           HB       THR 679  -0.014  -6.699  -2.007
  227    HG1  THR 679           1HG      THR 679  -0.884  -8.480  -2.640
  228   1HG2  THR 679          1HG2      THR 679   2.562  -6.951  -3.226
  229   2HG2  THR 679          2HG2      THR 679   1.190  -5.948  -3.698
  230   3HG2  THR 679          3HG2      THR 679   1.319  -7.604  -4.293
  231    H    ALA 680           H        ALA 680   0.861  -5.690   0.356
  232    HA   ALA 680           HA       ALA 680   2.863  -3.837  -0.468
  233   1HB   ALA 680          1HB       ALA 680   0.406  -3.756   0.974
  234   2HB   ALA 680          2HB       ALA 680   1.306  -2.430   0.238
  235   3HB   ALA 680          3HB       ALA 680   1.645  -2.908   1.901
  236    H    ARG 681           H        ARG 681   4.406  -2.779   0.872
  237    HA   ARG 681           HA       ARG 681   5.245  -4.233   3.276
  238   1HB   ARG 681          2HB       ARG 681   6.983  -3.591   0.890
  239   2HB   ARG 681          1HB       ARG 681   7.637  -3.999   2.470
  240   1HG   ARG 681          2HG       ARG 681   5.684  -5.848   1.193
  241   2HG   ARG 681          1HG       ARG 681   7.355  -5.825   0.626
  242   1HD   ARG 681          2HD       ARG 681   6.502  -6.228   3.490
  243   2HD   ARG 681          1HD       ARG 681   6.948  -7.522   2.378
  244    HE   ARG 681           HE       ARG 681   8.965  -5.494   2.667
  245   1HH1  ARG 681          1HH1      ARG 681   7.688  -8.466   3.974
  246   2HH1  ARG 681          2HH1      ARG 681   9.179  -8.921   4.728
  247   1HH2  ARG 681          1HH2      ARG 681  10.928  -6.091   3.657
  248   2HH2  ARG 681          2HH2      ARG 681  11.018  -7.574   4.548
  249    H    TYR 682           H        TYR 682   6.172  -2.953   4.851
  250    HA   TYR 682           HA       TYR 682   6.921  -0.219   4.251
  251   1HB   TYR 682          2HB       TYR 682   4.582  -0.884   6.047
  252   2HB   TYR 682          1HB       TYR 682   5.392   0.680   6.039
  253    HD1  TYR 682           1HD      TYR 682   5.383   2.030   3.896
  254    HD2  TYR 682           2HD      TYR 682   2.918  -1.392   4.462
  255    HE1  TYR 682           1HE      TYR 682   3.940   2.772   2.048
  256    HE2  TYR 682           2HE      TYR 682   1.469  -0.661   2.614
  257    HH   TYR 682           HH       TYR 682   2.230   1.311   0.347
  258    H    CYS 683           H        CYS 683   8.208   0.728   5.866
  259    HA   CYS 683           HA       CYS 683   9.360  -1.215   7.703
  260   1HB   CYS 683          2HB       CYS 683  11.226   0.286   7.911
  261   2HB   CYS 683          1HB       CYS 683  10.830   0.131   6.205
  262    H    GLY 684           H        GLY 684   7.209   1.476   7.773
  263   1HA   GLY 684          2HA       GLY 684   7.108   1.247  10.684
  264   2HA   GLY 684          1HA       GLY 684   7.469   2.835  10.026
  265    H    SER 685           H        SER 685   5.181   1.894  11.622
  266    HA   SER 685           HA       SER 685   2.844   1.499  10.242
  267   1HB   SER 685          2HB       SER 685   2.676   1.409  12.578
  268   2HB   SER 685          1HB       SER 685   3.434   2.988  12.788
  269    HG   SER 685           HG       SER 685   0.942   2.668  11.490
  270    H    PHE 686           H        PHE 686   4.647   4.490  10.611
  271    HA   PHE 686           HA       PHE 686   2.595   6.190   9.604
  272   1HB   PHE 686          2HB       PHE 686   4.317   7.899   9.462
  273   2HB   PHE 686          1HB       PHE 686   4.470   7.028  10.983
  274    HD1  PHE 686           1HD      PHE 686   6.066   7.942   7.888
  275    HD2  PHE 686           2HD      PHE 686   6.287   5.343  11.251
  276    HE1  PHE 686           1HE      PHE 686   8.433   7.498   7.383
  277    HE2  PHE 686           2HE      PHE 686   8.654   4.894  10.752
  278    HZ   PHE 686           HZ       PHE 686   9.730   5.972   8.817
  279    H    CYS 687           H        CYS 687   5.223   4.368   8.155
  280    HA   CYS 687           HA       CYS 687   5.170   5.547   5.606
  281   1HB   CYS 687          2HB       CYS 687   5.899   2.701   6.313
  282   2HB   CYS 687          1HB       CYS 687   6.367   3.567   4.853
  283    H    GLN 688           H        GLN 688   3.390   2.797   6.940
  284    HA   GLN 688           HA       GLN 688   2.169   2.040   4.512
  285   1HB   GLN 688          2HB       GLN 688   0.727   0.653   5.806
  286   2HB   GLN 688          1HB       GLN 688   2.324   0.597   6.532
  287   1HG   GLN 688          2HG       GLN 688   1.518   1.255   8.480
  288   2HG   GLN 688          1HG       GLN 688   0.783   2.678   7.752
  289   1HE2  GLN 688          1HE2      GLN 688   0.063  -0.683   7.023
  290   2HE2  GLN 688          2HE2      GLN 688  -1.571  -0.640   7.569
  291    H    HIS 689           H        HIS 689   1.254   4.336   7.018
  292    HA   HIS 689           HA       HIS 689  -1.355   4.847   6.017
  293   1HB   HIS 689          2HB       HIS 689   0.444   6.071   8.038
  294   2HB   HIS 689          1HB       HIS 689  -0.848   7.083   7.400
  295    HD1  HIS 689           1HD      HIS 689  -1.528   6.827  10.076
  296    HD2  HIS 689           2HD      HIS 689  -2.133   3.556   7.587
  297    HE1  HIS 689           1HE      HIS 689  -3.177   5.361  11.283
  298    HE2  HIS 689           2HE      HIS 689  -3.475   3.352   9.791
  299    H    LYS 690           H        LYS 690   1.801   6.305   5.470
  300    HA   LYS 690           HA       LYS 690   1.025   8.623   4.136
  301   1HB   LYS 690          2HB       LYS 690   3.380   7.731   4.878
  302   2HB   LYS 690          1HB       LYS 690   3.439   7.091   3.243
  303   1HG   LYS 690          2HG       LYS 690   3.178   9.971   4.072
  304   2HG   LYS 690          1HG       LYS 690   4.545   9.201   3.264
  305   1HD   LYS 690          2HD       LYS 690   1.783   9.591   2.111
  306   2HD   LYS 690          1HD       LYS 690   3.225  10.514   1.690
  307   1HE   LYS 690          2HE       LYS 690   3.746   7.701   1.418
  308   2HE   LYS 690          1HE       LYS 690   2.296   8.136   0.515
  309   1HZ   LYS 690          1HZ       LYS 690   4.322   8.350  -0.811
  310   2HZ   LYS 690          2HZ       LYS 690   4.921   9.502   0.273
  311   3HZ   LYS 690          3HZ       LYS 690   3.533   9.837  -0.634
  312    H    ASP 691           H        ASP 691   1.874   5.459   2.753
  313    HA   ASP 691           HA       ASP 691   0.948   6.278   0.134
  314   1HB   ASP 691          2HB       ASP 691   2.374   3.922   1.257
  315   2HB   ASP 691          1HB       ASP 691   1.436   3.671  -0.212
  316    H    TRP 692           H        TRP 692  -0.480   5.020   2.908
  317    HA   TRP 692           HA       TRP 692  -2.243   3.100   2.158
  318   1HB   TRP 692          2HB       TRP 692  -2.097   3.971   4.440
  319   2HB   TRP 692          1HB       TRP 692  -2.855   5.473   3.928
  320    HD1  TRP 692           HD       TRP 692  -5.125   5.411   5.148
  321    HE1  TRP 692           1HE      TRP 692  -7.108   3.767   5.226
  322    HE3  TRP 692           3HE      TRP 692  -3.063   1.500   2.567
  323    HZ2  TRP 692           2HZ      TRP 692  -7.719   1.174   4.316
  324    HZ3  TRP 692           3HZ      TRP 692  -4.416  -0.521   2.215
  325    HH2  TRP 692           HH       TRP 692  -6.695  -0.681   3.073
  326    H    GLU 693           H        GLU 693  -2.694   6.599   1.642
  327    HA   GLU 693           HA       GLU 693  -5.254   6.552   0.627
  328   1HB   GLU 693          2HB       GLU 693  -4.922   8.731   0.209
  329   2HB   GLU 693          1HB       GLU 693  -3.382   8.481   1.010
  330   1HG   GLU 693          2HG       GLU 693  -3.590   8.079  -1.941
  331   2HG   GLU 693          1HG       GLU 693  -3.505   9.707  -1.277
  332    H    LYS 694           H        LYS 694  -2.217   5.899  -1.065
  333    HA   LYS 694           HA       LYS 694  -3.601   5.485  -3.576
  334   1HB   LYS 694          2HB       LYS 694  -0.713   5.340  -2.743
  335   2HB   LYS 694          1HB       LYS 694  -1.249   4.820  -4.335
  336   1HG   LYS 694          2HG       LYS 694  -1.989   7.008  -4.892
  337   2HG   LYS 694          1HG       LYS 694  -1.770   7.565  -3.232
  338   1HD   LYS 694          2HD       LYS 694   0.547   6.472  -4.783
  339   2HD   LYS 694          1HD       LYS 694   0.026   8.142  -5.016
  340   1HE   LYS 694          2HE       LYS 694   0.230   8.469  -2.549
  341   2HE   LYS 694          1HE       LYS 694   0.929   6.854  -2.445
  342   1HZ   LYS 694          1HZ       LYS 694   2.363   9.078  -2.765
  343   2HZ   LYS 694          2HZ       LYS 694   2.163   8.622  -4.382
  344   3HZ   LYS 694          3HZ       LYS 694   2.876   7.551  -3.286
  345    H    HIS 695           H        HIS 695  -1.710   3.543  -1.281
  346    HA   HIS 695           HA       HIS 695  -1.868   1.109  -2.605
  347   1HB   HIS 695          2HB       HIS 695  -0.356   1.498  -0.731
  348   2HB   HIS 695          1HB       HIS 695  -1.726   1.615   0.370
  349    HD1  HIS 695           1HD      HIS 695  -0.588  -1.017  -2.166
  350    HD2  HIS 695           2HD      HIS 695  -1.992  -0.664   1.728
  351    HE1  HIS 695           1HE      HIS 695  -0.723  -3.368  -1.247
  352    H    HIS 696           H        HIS 696  -4.154   2.495  -0.253
  353    HA   HIS 696           HA       HIS 696  -5.706   0.253   0.139
  354   1HB   HIS 696          2HB       HIS 696  -7.434   1.653   0.974
  355   2HB   HIS 696          1HB       HIS 696  -5.895   2.360   1.436
  356    HD1  HIS 696           1HD      HIS 696  -8.195   2.826  -1.586
  357    HD2  HIS 696           2HD      HIS 696  -6.089   5.005   1.250
  358    HE1  HIS 696           1HE      HIS 696  -8.663   5.243  -2.103
  359    HE2  HIS 696           2HE      HIS 696  -7.301   6.541  -0.436
  360    H    HIS 697           H        HIS 697  -5.654   2.319  -2.706
  361    HA   HIS 697           HA       HIS 697  -8.175   1.586  -3.748
  362   1HB   HIS 697          2HB       HIS 697  -5.682   2.109  -5.377
  363   2HB   HIS 697          1HB       HIS 697  -7.351   2.299  -5.891
  364    HD1  HIS 697           1HD      HIS 697  -8.622   4.188  -4.114
  365    HD2  HIS 697           2HD      HIS 697  -4.573   4.502  -4.979
  366    HE1  HIS 697           1HE      HIS 697  -8.018   6.588  -3.657
  367    HE2  HIS 697           2HE      HIS 697  -5.586   6.775  -4.281
  368    H    ILE 698           H        ILE 698  -5.051   0.014  -3.645
  369    HA   ILE 698           HA       ILE 698  -5.891  -2.103  -5.451
  370    HB   ILE 698           HB       ILE 698  -3.321  -2.180  -3.919
  371   1HG1  ILE 698          2HG1      ILE 698  -3.595  -0.660  -6.511
  372   2HG1  ILE 698          1HG1      ILE 698  -3.686   0.143  -4.947
  373   1HG2  ILE 698          1HG2      ILE 698  -3.512  -2.838  -6.790
  374   2HG2  ILE 698          2HG2      ILE 698  -4.388  -3.890  -5.677
  375   3HG2  ILE 698          3HG2      ILE 698  -2.650  -3.659  -5.488
  376   1HD1  ILE 698          1HD1      ILE 698  -1.445  -0.573  -4.408
  377   2HD1  ILE 698          2HD1      ILE 698  -1.457   0.276  -5.954
  378   3HD1  ILE 698          3HD1      ILE 698  -1.349  -1.483  -5.916
  379    H    CYS 699           H        CYS 699  -4.658  -1.891  -2.114
  380    HA   CYS 699           HA       CYS 699  -4.729  -4.400  -1.209
  381   1HB   CYS 699          2HB       CYS 699  -4.394  -2.162   0.059
  382   2HB   CYS 699          1HB       CYS 699  -6.108  -2.303   0.435
  383    H    GLY 700           H        GLY 700  -6.222  -5.745  -0.068
  384   1HA   GLY 700          2HA       GLY 700  -8.192  -6.887   0.165
  385   2HA   GLY 700          1HA       GLY 700  -9.000  -5.334   0.010
  386    H    GLN 701           H        GLN 701  -6.937  -6.792  -2.439
  387    HA   GLN 701           HA       GLN 701  -9.324  -7.222  -4.111
  388   1HB   GLN 701          2HB       GLN 701  -7.974  -5.200  -4.756
  389   2HB   GLN 701          1HB       GLN 701  -6.636  -6.283  -5.118
  390   1HG   GLN 701          2HG       GLN 701  -7.524  -6.081  -7.193
  391   2HG   GLN 701          1HG       GLN 701  -8.457  -7.462  -6.618
  392   1HE2  GLN 701          1HE2      GLN 701  -8.592  -3.916  -6.463
  393   2HE2  GLN 701          2HE2      GLN 701 -10.281  -3.796  -6.813
  394    H    THR 702           H        THR 702  -9.569  -9.318  -4.487
  395    HA   THR 702           HA       THR 702  -7.183 -10.923  -5.100
  396    HB   THR 702           HB       THR 702  -7.772 -11.512  -2.847
  397    HG1  THR 702           1HG      THR 702  -8.249 -13.698  -3.146
  398   1HG2  THR 702          1HG2      THR 702 -10.146 -12.685  -2.665
  399   2HG2  THR 702          2HG2      THR 702 -10.544 -11.452  -3.861
  400   3HG2  THR 702          3HG2      THR 702  -9.894 -10.980  -2.291
  401    H    LEU 703           H        LEU 703  -8.002 -13.176  -5.973
  402    HA   LEU 703           HA       LEU 703  -9.843 -12.539  -8.161
  403   1HB   LEU 703          2HB       LEU 703  -8.036 -14.936  -7.872
  404   2HB   LEU 703          1HB       LEU 703  -8.895 -14.433  -9.316
  405    HG   LEU 703           HG       LEU 703  -7.026 -12.439  -8.200
  406   1HD1  LEU 703          1HD1      LEU 703  -6.175 -15.165  -8.932
  407   2HD1  LEU 703          2HD1      LEU 703  -5.400 -13.970  -7.893
  408   3HD1  LEU 703          3HD1      LEU 703  -5.252 -13.843  -9.645
  409   1HD2  LEU 703          1HD2      LEU 703  -7.966 -11.802 -10.213
  410   2HD2  LEU 703          2HD2      LEU 703  -7.905 -13.434 -10.877
  411   3HD2  LEU 703          3HD2      LEU 703  -6.425 -12.488 -10.727
  412    H    GLN 704           H        GLN 704 -11.215 -14.418  -8.933
  413    HA   GLN 704           HA       GLN 704 -12.639 -15.495  -6.620
  414   1HB   GLN 704          2HB       GLN 704 -14.433 -16.003  -8.256
  415   2HB   GLN 704          1HB       GLN 704 -13.999 -14.299  -8.220
  416   1HG   GLN 704          2HG       GLN 704 -13.349 -14.298 -10.351
  417   2HG   GLN 704          1HG       GLN 704 -12.493 -15.831 -10.188
  418   1HE2  GLN 704          1HE2      GLN 704 -15.586 -14.328 -10.810
  419   2HE2  GLN 704          2HE2      GLN 704 -16.321 -15.700 -11.559
  420    H    ALA 705           H        ALA 705 -10.792 -16.511  -9.401
  421    HA   ALA 705           HA       ALA 705 -10.463 -19.140  -8.299
  422   1HB   ALA 705          1HB       ALA 705 -11.518 -19.332 -11.044
  423   2HB   ALA 705          2HB       ALA 705 -12.693 -18.934  -9.791
  424   3HB   ALA 705          3HB       ALA 705 -11.735 -20.408  -9.665
  425    H    GLN 706           H        GLN 706  -8.819 -20.354  -9.353
  426    HA   GLN 706           HA       GLN 706  -7.452 -19.248 -11.636
  427   1HB   GLN 706          2HB       GLN 706  -6.702 -18.127  -9.308
  428   2HB   GLN 706          1HB       GLN 706  -5.651 -19.536  -9.298
  429   1HG   GLN 706          2HG       GLN 706  -4.406 -17.816 -10.289
  430   2HG   GLN 706          1HG       GLN 706  -4.925 -18.854 -11.617
  431   1HE2  GLN 706          1HE2      GLN 706  -6.501 -18.112 -13.046
  432   2HE2  GLN 706          2HE2      GLN 706  -6.909 -16.438 -13.170
  433    H    GLN 707           H        GLN 707  -5.615 -20.602 -12.312
  434    HA   GLN 707           HA       GLN 707  -5.470 -23.245 -11.100
  435   1HB   GLN 707          2HB       GLN 707  -7.194 -22.839 -13.215
  436   2HB   GLN 707          1HB       GLN 707  -5.740 -23.429 -14.009
  437   1HG   GLN 707          2HG       GLN 707  -6.825 -24.867 -11.629
  438   2HG   GLN 707          1HG       GLN 707  -7.557 -25.099 -13.216
  439   1HE2  GLN 707          1HE2      GLN 707  -5.871 -26.794 -11.339
  440   2HE2  GLN 707          2HE2      GLN 707  -4.640 -27.443 -12.363
  Start of MODEL    3
    1    H    THR1101           H        THR1101  -7.143  11.906   8.071
    2    HA   THR1101           HA       THR1101  -9.073  11.877   6.880
    3    HB   THR1101           HB       THR1101  -8.119  11.689   4.427
    4    HG1  THR1101           1HG      THR1101  -5.875  11.760   4.394
    5   1HG2  THR1101          1HG2      THR1101  -7.218  13.666   6.491
    6   2HG2  THR1101          2HG2      THR1101  -8.473  13.845   5.264
    7   3HG2  THR1101          3HG2      THR1101  -6.775  13.804   4.789
    8    H    ILE1102           H        ILE1102  -7.154   9.277   5.365
    9    HA   ILE1102           HA       ILE1102  -9.480   7.922   4.418
   10    HB   ILE1102           HB       ILE1102  -6.713   6.749   4.657
   11   1HG1  ILE1102          2HG1      ILE1102  -7.450   7.852   2.051
   12   2HG1  ILE1102          1HG1      ILE1102  -7.328   9.086   3.301
   13   1HG2  ILE1102          1HG2      ILE1102  -8.306   5.091   4.093
   14   2HG2  ILE1102          2HG2      ILE1102  -7.479   5.521   2.597
   15   3HG2  ILE1102          3HG2      ILE1102  -9.095   6.149   2.922
   16   1HD1  ILE1102          1HD1      ILE1102  -5.066   8.299   3.828
   17   2HD1  ILE1102          2HD1      ILE1102  -5.224   8.837   2.157
   18   3HD1  ILE1102          3HD1      ILE1102  -5.194   7.113   2.529
   19    H    SER1103           H        SER1103 -10.032   5.682   4.959
   20    HA   SER1103           HA       SER1103 -10.609   5.327   7.652
   21   1HB   SER1103          2HB       SER1103 -11.692   4.170   5.667
   22   2HB   SER1103          1HB       SER1103 -10.319   3.063   5.674
   23    HG   SER1103           HG       SER1103 -12.501   3.116   7.283
   24    H    ASN1104           H        ASN1104  -9.950   2.983   8.640
   25    HA   ASN1104           HA       ASN1104  -7.089   3.242   9.132
   26   1HB   ASN1104          2HB       ASN1104  -9.253   1.665  10.528
   27   2HB   ASN1104          1HB       ASN1104  -7.555   1.616  10.991
   28   1HD2  ASN1104          1HD2      ASN1104  -9.281   2.347  12.867
   29   2HD2  ASN1104          2HD2      ASN1104  -9.195   4.045  13.178
   30    HA   PRO1105           HA       PRO1105  -6.546  -0.170   6.206
   31   1HB   PRO1105          2HB       PRO1105  -3.811  -0.184   6.386
   32   2HB   PRO1105          1HB       PRO1105  -4.725   0.883   5.320
   33   1HG   PRO1105          2HG       PRO1105  -3.517   1.452   7.990
   34   2HG   PRO1105          1HG       PRO1105  -3.579   2.477   6.545
   35   1HD   PRO1105          2HD       PRO1105  -5.236   2.838   8.647
   36   2HD   PRO1105          1HD       PRO1105  -5.735   3.173   6.977
   37    HA   PRO1106           HA       PRO1106  -5.764  -3.661   8.788
   38   1HB   PRO1106          2HB       PRO1106  -4.290  -5.314   7.235
   39   2HB   PRO1106          1HB       PRO1106  -5.997  -4.984   6.915
   40   1HG   PRO1106          2HG       PRO1106  -3.567  -3.801   5.629
   41   2HG   PRO1106          1HG       PRO1106  -5.073  -4.356   4.876
   42   1HD   PRO1106          2HD       PRO1106  -4.554  -1.741   5.375
   43   2HD   PRO1106          1HD       PRO1106  -6.195  -2.418   5.391
   44    HA   PRO1107           HA       PRO1107  -1.877  -3.337  10.850
   45   1HB   PRO1107          2HB       PRO1107  -1.490  -5.852  11.802
   46   2HB   PRO1107          1HB       PRO1107  -2.697  -4.746  12.470
   47   1HG   PRO1107          2HG       PRO1107  -3.056  -6.990  10.522
   48   2HG   PRO1107          1HG       PRO1107  -4.061  -6.545  11.915
   49   1HD   PRO1107          2HD       PRO1107  -4.721  -5.888   9.371
   50   2HD   PRO1107          1HD       PRO1107  -5.137  -4.865  10.762
   51    H    LEU1108           H        LEU1108   0.357  -3.997  10.843
   52    HA   LEU1108           HA       LEU1108   1.140  -5.134   8.258
   53   1HB   LEU1108          2HB       LEU1108   2.625  -3.444  10.262
   54   2HB   LEU1108          1HB       LEU1108   3.399  -4.174   8.869
   55    HG   LEU1108           HG       LEU1108   1.006  -2.459   8.408
   56   1HD1  LEU1108          1HD1      LEU1108   1.972  -0.810   9.604
   57   2HD1  LEU1108          2HD1      LEU1108   2.963  -0.637   8.155
   58   3HD1  LEU1108          3HD1      LEU1108   3.572  -1.549   9.536
   59   1HD2  LEU1108          1HD2      LEU1108   3.595  -2.738   6.893
   60   2HD2  LEU1108          2HD2      LEU1108   2.095  -1.997   6.334
   61   3HD2  LEU1108          3HD2      LEU1108   2.171  -3.739   6.605
   62    H    ILE1109           H        ILE1109   2.692  -6.767   8.086
   63    HA   ILE1109           HA       ILE1109   3.120  -8.319  10.554
   64    HB   ILE1109           HB       ILE1109   3.522 -10.195   8.680
   65   1HG1  ILE1109          2HG1      ILE1109   1.255  -8.598   7.500
   66   2HG1  ILE1109          1HG1      ILE1109   2.906  -8.471   6.905
   67   1HG2  ILE1109          1HG2      ILE1109   1.847  -9.949  10.674
   68   2HG2  ILE1109          2HG2      ILE1109   1.558 -11.147   9.411
   69   3HG2  ILE1109          3HG2      ILE1109   0.683  -9.614   9.390
   70   1HD1  ILE1109          1HD1      ILE1109   2.502 -10.189   5.580
   71   2HD1  ILE1109          2HD1      ILE1109   0.914 -10.427   6.311
   72   3HD1  ILE1109          3HD1      ILE1109   2.332 -11.208   7.010
   73    H    SER1110           H        SER1110   5.159  -8.496  11.206
   74    HA   SER1110           HA       SER1110   7.304  -7.577   9.502
   75   1HB   SER1110          2HB       SER1110   7.954  -8.795  12.121
   76   2HB   SER1110          1HB       SER1110   8.498  -7.272  11.416
   77    HG   SER1110           HG       SER1110   7.081  -7.031  13.247
   78    H    SER1111           H        SER1111   8.681  -8.798   8.382
   79    HA   SER1111           HA       SER1111   8.748 -11.692   8.935
   80   1HB   SER1111          2HB       SER1111   9.075 -12.020   6.468
   81   2HB   SER1111          1HB       SER1111   7.488 -11.384   6.900
   82    HG   SER1111           HG       SER1111   9.685  -9.802   6.050
   83    H    ALA1112           H        ALA1112  10.680 -12.109   9.783
   84    HA   ALA1112           HA       ALA1112  13.063 -11.622   8.291
   85   1HB   ALA1112          1HB       ALA1112  12.340  -9.770  10.454
   86   2HB   ALA1112          2HB       ALA1112  13.439  -9.555   9.091
   87   3HB   ALA1112          3HB       ALA1112  13.982 -10.410  10.535
   88    H    LYS1113           H        LYS1113  14.981 -12.537   9.350
   89    HA   LYS1113           HA       LYS1113  15.935 -14.439  10.188
   90   1HB   LYS1113          2HB       LYS1113  15.297 -12.606  12.156
   91   2HB   LYS1113          1HB       LYS1113  14.747 -14.133  12.831
   92   1HG   LYS1113          2HG       LYS1113  17.484 -13.864  11.651
   93   2HG   LYS1113          1HG       LYS1113  17.149 -13.367  13.310
   94   1HD   LYS1113          2HD       LYS1113  16.187 -15.674  13.676
   95   2HD   LYS1113          1HD       LYS1113  16.857 -16.111  12.103
   96   1HE   LYS1113          2HE       LYS1113  18.999 -14.943  13.325
   97   2HE   LYS1113          1HE       LYS1113  18.191 -15.725  14.683
   98   1HZ   LYS1113          1HZ       LYS1113  18.125 -17.673  12.871
   99   2HZ   LYS1113          2HZ       LYS1113  19.378 -17.486  13.993
  100   3HZ   LYS1113          3HZ       LYS1113  19.562 -16.904  12.415
  101    H    ASP 658           H        ASP 658  13.579  -1.935  -7.718
  102    HA   ASP 658           HA       ASP 658  13.488  -4.858  -8.050
  103   1HB   ASP 658          2HB       ASP 658  14.586  -3.178  -5.786
  104   2HB   ASP 658          1HB       ASP 658  14.490  -4.936  -5.762
  105    H    SER 659           H        SER 659  11.656  -5.828  -7.524
  106    HA   SER 659           HA       SER 659   9.729  -4.415  -5.832
  107   1HB   SER 659          2HB       SER 659   9.531  -6.475  -7.968
  108   2HB   SER 659          1HB       SER 659   8.324  -6.534  -6.683
  109    HG   SER 659           HG       SER 659   7.889  -4.310  -7.147
  110    H    SER 660           H        SER 660  12.051  -5.674  -4.669
  111    HA   SER 660           HA       SER 660  10.664  -7.459  -2.819
  112   1HB   SER 660          2HB       SER 660  12.921  -8.219  -4.590
  113   2HB   SER 660          1HB       SER 660  13.016  -8.771  -2.918
  114    HG   SER 660           HG       SER 660  11.668 -10.264  -3.487
  115    H    GLU 661           H        GLU 661  11.051  -6.871  -0.794
  116    HA   GLU 661           HA       GLU 661  11.989  -5.911   1.040
  117   1HB   GLU 661          2HB       GLU 661  14.570  -6.299  -0.487
  118   2HB   GLU 661          1HB       GLU 661  14.444  -5.928   1.227
  119   1HG   GLU 661          2HG       GLU 661  12.929  -8.123   1.163
  120   2HG   GLU 661          1HG       GLU 661  13.983  -8.468  -0.207
  121    H    SER 662           H        SER 662  10.883  -3.942   0.466
  122    HA   SER 662           HA       SER 662  12.529  -1.679   0.539
  123   1HB   SER 662          2HB       SER 662  11.470  -0.886  -1.832
  124   2HB   SER 662          1HB       SER 662  13.087  -1.568  -1.655
  125    HG   SER 662           HG       SER 662  11.532  -2.518  -3.275
  126    H    CYS 663           H        CYS 663  11.397   0.024   1.298
  127    HA   CYS 663           HA       CYS 663   8.684  -0.342   2.035
  128   1HB   CYS 663          2HB       CYS 663  10.528   1.045   3.189
  129   2HB   CYS 663          1HB       CYS 663  10.107   2.302   2.035
  130    H    TRP 664           H        TRP 664   6.881   0.116   0.963
  131    HA   TRP 664           HA       TRP 664   6.886   1.014  -1.700
  132   1HB   TRP 664          2HB       TRP 664   4.693   0.667   0.336
  133   2HB   TRP 664          1HB       TRP 664   4.363   1.251  -1.292
  134    HD1  TRP 664           HD       TRP 664   6.907  -1.538  -0.584
  135    HE1  TRP 664           1HE      TRP 664   6.062  -3.709  -1.675
  136    HE3  TRP 664           3HE      TRP 664   2.291   0.059  -2.105
  137    HZ2  TRP 664           2HZ      TRP 664   3.745  -4.623  -3.010
  138    HZ3  TRP 664           3HZ      TRP 664   0.824  -1.528  -3.281
  139    HH2  TRP 664           HH       TRP 664   1.534  -3.815  -3.724
  140    H    ASN 665           H        ASN 665   6.688   2.728   1.311
  141    HA   ASN 665           HA       ASN 665   5.851   5.200  -0.013
  142   1HB   ASN 665          2HB       ASN 665   4.653   5.015   1.961
  143   2HB   ASN 665          1HB       ASN 665   5.991   4.269   2.828
  144   1HD2  ASN 665          1HD2      ASN 665   6.909   5.498   4.292
  145   2HD2  ASN 665          2HD2      ASN 665   6.958   7.225   4.296
  146    H    CYS 666           H        CYS 666   8.347   4.319   2.388
  147    HA   CYS 666           HA       CYS 666   9.908   6.590   2.107
  148   1HB   CYS 666          2HB       CYS 666  10.622   3.785   2.932
  149   2HB   CYS 666          1HB       CYS 666  11.803   5.087   2.937
  150    H    GLY 667           H        GLY 667  10.619   3.395   0.614
  151   1HA   GLY 667          2HA       GLY 667  11.190   3.199  -1.702
  152   2HA   GLY 667          1HA       GLY 667  11.757   4.862  -1.667
  153    H    ARG 668           H        ARG 668  12.604   2.775   0.953
  154    HA   ARG 668           HA       ARG 668  15.296   2.429  -0.185
  155   1HB   ARG 668          2HB       ARG 668  15.302   4.227   1.494
  156   2HB   ARG 668          1HB       ARG 668  14.623   3.123   2.680
  157   1HG   ARG 668          2HG       ARG 668  16.705   2.666   3.287
  158   2HG   ARG 668          1HG       ARG 668  16.876   1.808   1.756
  159   1HD   ARG 668          2HD       ARG 668  18.689   3.324   1.885
  160   2HD   ARG 668          1HD       ARG 668  17.549   4.007   0.730
  161    HE   ARG 668           HE       ARG 668  18.094   4.992   3.434
  162   1HH1  ARG 668          1HH1      ARG 668  16.448   5.382   0.372
  163   2HH1  ARG 668          2HH1      ARG 668  16.011   7.027   0.681
  164   1HH2  ARG 668          1HH2      ARG 668  17.514   7.153   3.831
  165   2HH2  ARG 668          2HH2      ARG 668  16.614   8.032   2.641
  166    H    LYS 669           H        LYS 669  13.685   1.405   2.826
  167    HA   LYS 669           HA       LYS 669  13.764  -1.365   1.965
  168   1HB   LYS 669          2HB       LYS 669  15.463  -0.252   4.169
  169   2HB   LYS 669          1HB       LYS 669  14.889  -1.912   4.249
  170   1HG   LYS 669          2HG       LYS 669  16.412  -0.808   1.907
  171   2HG   LYS 669          1HG       LYS 669  17.182  -1.598   3.285
  172   1HD   LYS 669          2HD       LYS 669  16.459  -3.661   2.679
  173   2HD   LYS 669          1HD       LYS 669  14.939  -3.051   2.022
  174   1HE   LYS 669          2HE       LYS 669  15.786  -2.824  -0.050
  175   2HE   LYS 669          1HE       LYS 669  17.334  -2.222   0.541
  176   1HZ   LYS 669          1HZ       LYS 669  17.522  -4.744   1.291
  177   2HZ   LYS 669          2HZ       LYS 669  18.012  -4.215  -0.240
  178   3HZ   LYS 669          3HZ       LYS 669  16.502  -4.952  -0.044
  179    H    ALA 670           H        ALA 670  12.463  -2.749   3.183
  180    HA   ALA 670           HA       ALA 670  10.871  -1.576   5.343
  181   1HB   ALA 670          1HB       ALA 670   9.156  -3.149   3.647
  182   2HB   ALA 670          2HB       ALA 670   9.882  -1.822   2.740
  183   3HB   ALA 670          3HB       ALA 670   8.962  -1.488   4.206
  184    H    SER 671           H        SER 671  10.150  -3.038   6.867
  185    HA   SER 671           HA       SER 671  11.026  -5.825   6.477
  186   1HB   SER 671          2HB       SER 671  12.445  -4.842   8.125
  187   2HB   SER 671          1HB       SER 671  11.076  -4.108   8.960
  188    HG   SER 671           HG       SER 671  11.436  -6.906   8.681
  189    H    GLU 672           H        GLU 672   8.328  -3.891   6.833
  190    HA   GLU 672           HA       GLU 672   6.797  -6.060   8.104
  191   1HB   GLU 672          2HB       GLU 672   5.619  -3.345   7.709
  192   2HB   GLU 672          1HB       GLU 672   5.307  -4.527   8.970
  193   1HG   GLU 672          2HG       GLU 672   7.921  -3.072   8.781
  194   2HG   GLU 672          1HG       GLU 672   6.529  -2.395   9.625
  195    H    THR 673           H        THR 673   4.627  -6.454   7.252
  196    HA   THR 673           HA       THR 673   4.344  -5.787   4.406
  197    HB   THR 673           HB       THR 673   4.171  -8.549   5.627
  198    HG1  THR 673           1HG      THR 673   5.845  -8.977   4.198
  199   1HG2  THR 673          1HG2      THR 673   3.556  -9.424   3.503
  200   2HG2  THR 673          2HG2      THR 673   3.654  -7.831   2.751
  201   3HG2  THR 673          3HG2      THR 673   2.385  -8.175   3.927
  202    H    CYS 674           H        CYS 674   2.288  -5.468   3.684
  203    HA   CYS 674           HA       CYS 674   0.266  -4.915   5.593
  204   1HB   CYS 674          2HB       CYS 674   0.451  -3.737   3.431
  205   2HB   CYS 674          1HB       CYS 674   0.035  -5.225   2.591
  206    H    SER 675           H        SER 675  -0.562  -6.557   6.750
  207    HA   SER 675           HA       SER 675  -0.858  -9.203   5.815
  208   1HB   SER 675          2HB       SER 675  -2.111  -9.586   7.899
  209   2HB   SER 675          1HB       SER 675  -0.629  -8.676   8.193
  210    HG   SER 675           HG       SER 675  -1.779  -7.046   8.854
  211    H    GLY 676           H        GLY 676  -2.722  -6.485   5.106
  212   1HA   GLY 676          2HA       GLY 676  -5.280  -7.810   4.977
  213   2HA   GLY 676          1HA       GLY 676  -4.905  -6.204   4.371
  214    H    CYS 677           H        CYS 677  -2.866  -6.754   2.596
  215    HA   CYS 677           HA       CYS 677  -4.275  -8.357   0.571
  216   1HB   CYS 677          2HB       CYS 677  -2.982  -6.980  -1.080
  217   2HB   CYS 677          1HB       CYS 677  -4.138  -6.070  -0.113
  218    H    ASN 678           H        ASN 678  -1.486  -8.200   2.502
  219    HA   ASN 678           HA       ASN 678   0.400  -9.456   2.644
  220   1HB   ASN 678          2HB       ASN 678  -1.441 -11.184   1.058
  221   2HB   ASN 678          1HB       ASN 678   0.254 -11.651   1.148
  222   1HD2  ASN 678          1HD2      ASN 678   1.010 -11.092   3.622
  223   2HD2  ASN 678          2HD2      ASN 678   0.071 -11.959   4.785
  224    H    THR 679           H        THR 679  -0.017  -7.444   0.416
  225    HA   THR 679           HA       THR 679   2.150  -8.402  -1.333
  226    HB   THR 679           HB       THR 679  -0.184  -6.613  -2.013
  227    HG1  THR 679           1HG      THR 679  -0.452  -8.965  -1.954
  228   1HG2  THR 679          1HG2      THR 679   2.380  -6.911  -3.347
  229   2HG2  THR 679          2HG2      THR 679   1.102  -5.718  -3.588
  230   3HG2  THR 679          3HG2      THR 679   1.005  -7.288  -4.385
  231    H    ALA 680           H        ALA 680   0.762  -5.643   0.340
  232    HA   ALA 680           HA       ALA 680   2.777  -3.793  -0.469
  233   1HB   ALA 680          1HB       ALA 680   1.576  -2.891   1.916
  234   2HB   ALA 680          2HB       ALA 680   0.327  -3.714   0.984
  235   3HB   ALA 680          3HB       ALA 680   1.234  -2.385   0.262
  236    H    ARG 681           H        ARG 681   4.326  -2.768   0.880
  237    HA   ARG 681           HA       ARG 681   5.160  -4.253   3.263
  238   1HB   ARG 681          2HB       ARG 681   6.937  -3.546   0.919
  239   2HB   ARG 681          1HB       ARG 681   7.536  -4.094   2.480
  240   1HG   ARG 681          2HG       ARG 681   5.535  -5.778   1.068
  241   2HG   ARG 681          1HG       ARG 681   7.195  -5.756   0.470
  242   1HD   ARG 681          2HD       ARG 681   6.647  -6.171   3.379
  243   2HD   ARG 681          1HD       ARG 681   6.486  -7.515   2.251
  244    HE   ARG 681           HE       ARG 681   8.929  -6.256   3.127
  245   1HH1  ARG 681          1HH1      ARG 681   7.420  -8.244   0.685
  246   2HH1  ARG 681          2HH1      ARG 681   8.910  -8.964   0.174
  247   1HH2  ARG 681          1HH2      ARG 681  10.887  -7.201   2.453
  248   2HH2  ARG 681          2HH2      ARG 681  10.878  -8.372   1.178
  249    H    TYR 682           H        TYR 682   6.081  -2.981   4.856
  250    HA   TYR 682           HA       TYR 682   6.847  -0.249   4.274
  251   1HB   TYR 682          2HB       TYR 682   4.500  -0.904   6.066
  252   2HB   TYR 682          1HB       TYR 682   5.309   0.661   6.039
  253    HD1  TYR 682           1HD      TYR 682   2.879  -1.468   4.439
  254    HD2  TYR 682           2HD      TYR 682   5.250   2.028   3.932
  255    HE1  TYR 682           1HE      TYR 682   1.423  -0.756   2.590
  256    HE2  TYR 682           2HE      TYR 682   3.799   2.750   2.083
  257    HH   TYR 682           HH       TYR 682   2.250   1.729   0.450
  258    H    CYS 683           H        CYS 683   8.135   0.681   5.897
  259    HA   CYS 683           HA       CYS 683   9.251  -1.271   7.746
  260   1HB   CYS 683          2HB       CYS 683  11.126   0.202   7.977
  261   2HB   CYS 683          1HB       CYS 683  10.734   0.105   6.265
  262    H    GLY 684           H        GLY 684   7.125   1.443   7.785
  263   1HA   GLY 684          2HA       GLY 684   6.883   1.162  10.674
  264   2HA   GLY 684          1HA       GLY 684   7.372   2.747  10.097
  265    H    SER 685           H        SER 685   4.974   2.018  11.555
  266    HA   SER 685           HA       SER 685   2.672   1.745  10.086
  267   1HB   SER 685          2HB       SER 685   1.494   2.786  11.918
  268   2HB   SER 685          1HB       SER 685   2.820   1.831  12.581
  269    HG   SER 685           HG       SER 685   4.018   3.914  12.511
  270    H    PHE 686           H        PHE 686   4.662   4.608  10.462
  271    HA   PHE 686           HA       PHE 686   2.820   6.482   9.422
  272   1HB   PHE 686          2HB       PHE 686   4.780   7.226  10.646
  273   2HB   PHE 686          1HB       PHE 686   5.847   6.496   9.450
  274    HD1  PHE 686           1HD      PHE 686   6.244   7.556   7.325
  275    HD2  PHE 686           2HD      PHE 686   3.589   9.287  10.165
  276    HE1  PHE 686           1HE      PHE 686   6.278   9.667   6.063
  277    HE2  PHE 686           2HE      PHE 686   3.618  11.401   8.908
  278    HZ   PHE 686           HZ       PHE 686   4.963  11.594   6.854
  279    H    CYS 687           H        CYS 687   5.286   4.447   7.932
  280    HA   CYS 687           HA       CYS 687   5.102   5.488   5.329
  281   1HB   CYS 687          2HB       CYS 687   5.818   2.650   6.060
  282   2HB   CYS 687          1HB       CYS 687   6.330   3.553   4.637
  283    H    GLN 688           H        GLN 688   3.433   2.750   6.862
  284    HA   GLN 688           HA       GLN 688   2.057   1.901   4.565
  285   1HB   GLN 688          2HB       GLN 688   0.856   0.479   5.940
  286   2HB   GLN 688          1HB       GLN 688   2.355   0.707   6.819
  287   1HG   GLN 688          2HG       GLN 688   1.350   2.021   8.445
  288   2HG   GLN 688          1HG       GLN 688  -0.045   2.386   7.431
  289   1HE2  GLN 688          1HE2      GLN 688  -0.832  -0.020   6.556
  290   2HE2  GLN 688          2HE2      GLN 688  -1.306  -1.024   7.867
  291    H    HIS 689           H        HIS 689   1.183   4.221   7.088
  292    HA   HIS 689           HA       HIS 689  -1.411   4.768   6.066
  293   1HB   HIS 689          2HB       HIS 689   0.385   6.021   8.094
  294   2HB   HIS 689          1HB       HIS 689  -0.997   6.941   7.507
  295    HD1  HIS 689           1HD      HIS 689  -1.381   6.486  10.290
  296    HD2  HIS 689           2HD      HIS 689  -2.213   3.445   7.585
  297    HE1  HIS 689           1HE      HIS 689  -2.930   4.917  11.500
  298    HE2  HIS 689           2HE      HIS 689  -3.491   3.131   9.813
  299    H    LYS 690           H        LYS 690   1.760   6.218   5.582
  300    HA   LYS 690           HA       LYS 690   1.014   8.573   4.297
  301   1HB   LYS 690          2HB       LYS 690   3.354   7.644   5.042
  302   2HB   LYS 690          1HB       LYS 690   3.426   7.046   3.391
  303   1HG   LYS 690          2HG       LYS 690   3.181   9.905   4.293
  304   2HG   LYS 690          1HG       LYS 690   4.547   9.145   3.477
  305   1HD   LYS 690          2HD       LYS 690   1.799   9.583   2.310
  306   2HD   LYS 690          1HD       LYS 690   3.247  10.512   1.929
  307   1HE   LYS 690          2HE       LYS 690   3.732   7.690   1.588
  308   2HE   LYS 690          1HE       LYS 690   2.325   8.196   0.656
  309   1HZ   LYS 690          1HZ       LYS 690   4.432   8.393  -0.572
  310   2HZ   LYS 690          2HZ       LYS 690   4.974   9.534   0.553
  311   3HZ   LYS 690          3HZ       LYS 690   3.631   9.876  -0.417
  312    H    ASP 691           H        ASP 691   1.857   5.440   2.825
  313    HA   ASP 691           HA       ASP 691   0.959   6.354   0.227
  314   1HB   ASP 691          2HB       ASP 691   2.356   3.948   1.280
  315   2HB   ASP 691          1HB       ASP 691   1.426   3.754  -0.202
  316    H    TRP 692           H        TRP 692  -0.519   5.078   2.942
  317    HA   TRP 692           HA       TRP 692  -2.283   3.176   2.154
  318   1HB   TRP 692          2HB       TRP 692  -2.155   4.022   4.442
  319   2HB   TRP 692          1HB       TRP 692  -2.884   5.543   3.937
  320    HD1  TRP 692           HD       TRP 692  -5.153   5.496   5.163
  321    HE1  TRP 692           1HE      TRP 692  -7.168   3.892   5.203
  322    HE3  TRP 692           3HE      TRP 692  -3.161   1.602   2.503
  323    HZ2  TRP 692           2HZ      TRP 692  -7.827   1.333   4.231
  324    HZ3  TRP 692           3HZ      TRP 692  -4.553  -0.383   2.104
  325    HH2  TRP 692           HH       TRP 692  -6.838  -0.515   2.952
  326    H    GLU 693           H        GLU 693  -2.685   6.680   1.627
  327    HA   GLU 693           HA       GLU 693  -5.240   6.674   0.593
  328   1HB   GLU 693          2HB       GLU 693  -4.856   8.838   0.186
  329   2HB   GLU 693          1HB       GLU 693  -3.288   8.561   0.928
  330   1HG   GLU 693          2HG       GLU 693  -2.330   8.151  -1.298
  331   2HG   GLU 693          1HG       GLU 693  -3.905   8.482  -2.019
  332    H    LYS 694           H        LYS 694  -2.197   5.997  -1.091
  333    HA   LYS 694           HA       LYS 694  -3.592   5.562  -3.596
  334   1HB   LYS 694          2HB       LYS 694  -0.683   5.336  -2.817
  335   2HB   LYS 694          1HB       LYS 694  -1.290   4.995  -4.432
  336   1HG   LYS 694          2HG       LYS 694  -2.143   7.315  -4.553
  337   2HG   LYS 694          1HG       LYS 694  -1.398   7.633  -2.985
  338   1HD   LYS 694          2HD       LYS 694   0.212   6.546  -5.269
  339   2HD   LYS 694          1HD       LYS 694  -0.104   8.276  -5.125
  340   1HE   LYS 694          2HE       LYS 694   0.806   7.056  -2.636
  341   2HE   LYS 694          1HE       LYS 694   1.974   6.912  -3.950
  342   1HZ   LYS 694          1HZ       LYS 694   2.047   8.985  -2.474
  343   2HZ   LYS 694          2HZ       LYS 694   0.692   9.501  -3.347
  344   3HZ   LYS 694          3HZ       LYS 694   2.150   9.200  -4.149
  345    H    HIS 695           H        HIS 695  -1.682   3.660  -1.281
  346    HA   HIS 695           HA       HIS 695  -1.823   1.215  -2.582
  347   1HB   HIS 695          2HB       HIS 695  -0.301   1.619  -0.731
  348   2HB   HIS 695          1HB       HIS 695  -1.659   1.767   0.382
  349    HD1  HIS 695           1HD      HIS 695  -0.726  -0.921  -2.167
  350    HD2  HIS 695           2HD      HIS 695  -1.778  -0.475   1.826
  351    HE1  HIS 695           1HE      HIS 695  -0.858  -3.254  -1.208
  352    H    HIS 696           H        HIS 696  -4.127   2.624  -0.267
  353    HA   HIS 696           HA       HIS 696  -5.643   0.373   0.195
  354   1HB   HIS 696          2HB       HIS 696  -7.411   1.770   0.957
  355   2HB   HIS 696          1HB       HIS 696  -5.890   2.513   1.419
  356    HD1  HIS 696           1HD      HIS 696  -8.165   2.859  -1.637
  357    HD2  HIS 696           2HD      HIS 696  -6.110   5.146   1.150
  358    HE1  HIS 696           1HE      HIS 696  -8.669   5.255  -2.220
  359    HE2  HIS 696           2HE      HIS 696  -7.476   6.615  -0.478
  360    H    HIS 697           H        HIS 697  -5.590   2.322  -2.720
  361    HA   HIS 697           HA       HIS 697  -8.089   1.552  -3.762
  362   1HB   HIS 697          2HB       HIS 697  -5.563   2.028  -5.354
  363   2HB   HIS 697          1HB       HIS 697  -7.219   2.171  -5.924
  364    HD1  HIS 697           1HD      HIS 697  -8.567   4.089  -4.214
  365    HD2  HIS 697           2HD      HIS 697  -4.515   4.470  -5.053
  366    HE1  HIS 697           1HE      HIS 697  -8.022   6.515  -3.828
  367    HE2  HIS 697           2HE      HIS 697  -5.552   6.706  -4.274
  368    H    ILE 698           H        ILE 698  -4.973  -0.067  -3.597
  369    HA   ILE 698           HA       ILE 698  -6.037  -2.294  -5.187
  370    HB   ILE 698           HB       ILE 698  -3.751  -3.052  -5.458
  371   1HG1  ILE 698          2HG1      ILE 698  -2.514  -0.625  -4.341
  372   2HG1  ILE 698          1HG1      ILE 698  -3.204  -1.710  -3.138
  373   1HG2  ILE 698          1HG2      ILE 698  -4.350  -0.197  -6.126
  374   2HG2  ILE 698          2HG2      ILE 698  -4.405  -1.619  -7.169
  375   3HG2  ILE 698          3HG2      ILE 698  -2.852  -0.972  -6.642
  376   1HD1  ILE 698          1HD1      ILE 698  -1.894  -3.545  -4.393
  377   2HD1  ILE 698          2HD1      ILE 698  -1.029  -2.450  -3.314
  378   3HD1  ILE 698          3HD1      ILE 698  -0.975  -2.194  -5.058
  379    H    CYS 699           H        CYS 699  -5.689  -1.509  -1.957
  380    HA   CYS 699           HA       CYS 699  -4.597  -3.857  -0.884
  381   1HB   CYS 699          2HB       CYS 699  -5.259  -1.548   0.221
  382   2HB   CYS 699          1HB       CYS 699  -6.744  -2.413   0.601
  383    H    GLY 700           H        GLY 700  -5.334  -5.774  -1.564
  384   1HA   GLY 700          2HA       GLY 700  -7.849  -6.513  -2.370
  385   2HA   GLY 700          1HA       GLY 700  -6.711  -7.612  -1.606
  386    H    GLN 701           H        GLN 701  -6.769  -5.961   0.892
  387    HA   GLN 701           HA       GLN 701  -8.628  -7.425   2.341
  388   1HB   GLN 701          2HB       GLN 701  -6.619  -5.872   3.072
  389   2HB   GLN 701          1HB       GLN 701  -7.897  -4.680   3.264
  390   1HG   GLN 701          2HG       GLN 701  -8.938  -6.861   4.543
  391   2HG   GLN 701          1HG       GLN 701  -7.218  -6.991   4.906
  392   1HE2  GLN 701          1HE2      GLN 701  -8.198  -6.641   7.102
  393   2HE2  GLN 701          2HE2      GLN 701  -8.332  -5.007   7.648
  394    H    THR 702           H        THR 702 -10.718  -7.454   1.718
  395    HA   THR 702           HA       THR 702 -12.185  -4.916   1.889
  396    HB   THR 702           HB       THR 702 -12.610  -7.020  -0.241
  397    HG1  THR 702           1HG      THR 702 -10.774  -5.645  -0.559
  398   1HG2  THR 702          1HG2      THR 702 -14.710  -5.973   0.328
  399   2HG2  THR 702          2HG2      THR 702 -14.153  -5.412  -1.249
  400   3HG2  THR 702          3HG2      THR 702 -13.982  -4.375   0.167
  401    H    LEU 703           H        LEU 703 -13.495  -5.133   3.576
  402    HA   LEU 703           HA       LEU 703 -14.805  -7.733   4.016
  403   1HB   LEU 703          2HB       LEU 703 -13.235  -6.342   5.761
  404   2HB   LEU 703          1HB       LEU 703 -14.832  -5.781   6.216
  405    HG   LEU 703           HG       LEU 703 -14.238  -7.645   7.610
  406   1HD1  LEU 703          1HD1      LEU 703 -16.585  -7.439   6.795
  407   2HD1  LEU 703          2HD1      LEU 703 -16.116  -9.075   7.257
  408   3HD1  LEU 703          3HD1      LEU 703 -16.203  -8.631   5.552
  409   1HD2  LEU 703          1HD2      LEU 703 -13.541  -8.937   5.006
  410   2HD2  LEU 703          2HD2      LEU 703 -14.004  -9.925   6.392
  411   3HD2  LEU 703          3HD2      LEU 703 -12.608  -8.852   6.501
  412    H    GLN 704           H        GLN 704 -15.270  -4.254   3.851
  413    HA   GLN 704           HA       GLN 704 -18.116  -4.464   4.342
  414   1HB   GLN 704          2HB       GLN 704 -16.349  -2.480   4.818
  415   2HB   GLN 704          1HB       GLN 704 -16.985  -1.947   3.269
  416   1HG   GLN 704          2HG       GLN 704 -19.269  -2.093   4.208
  417   2HG   GLN 704          1HG       GLN 704 -18.562  -2.497   5.771
  418   1HE2  GLN 704          1HE2      GLN 704 -19.561  -0.025   3.732
  419   2HE2  GLN 704          2HE2      GLN 704 -18.894   1.310   4.602
  420    H    ALA 705           H        ALA 705 -17.858  -6.068   2.332
  421    HA   ALA 705           HA       ALA 705 -19.078  -4.643   0.110
  422   1HB   ALA 705          1HB       ALA 705 -17.000  -6.569  -0.733
  423   2HB   ALA 705          2HB       ALA 705 -16.435  -5.023  -0.097
  424   3HB   ALA 705          3HB       ALA 705 -17.524  -5.061  -1.484
  425    H    GLN 706           H        GLN 706 -20.562  -5.850  -0.987
  426    HA   GLN 706           HA       GLN 706 -20.968  -8.595  -0.012
  427   1HB   GLN 706          2HB       GLN 706 -22.730  -6.577   0.119
  428   2HB   GLN 706          1HB       GLN 706 -23.128  -7.184  -1.482
  429   1HG   GLN 706          2HG       GLN 706 -24.534  -8.153   0.277
  430   2HG   GLN 706          1HG       GLN 706 -23.596  -9.370  -0.589
  431   1HE2  GLN 706          1HE2      GLN 706 -21.987 -10.481   0.472
  432   2HE2  GLN 706          2HE2      GLN 706 -21.786 -10.430   2.187
  433    H    GLN 707           H        GLN 707 -21.841  -6.777  -2.955
  434    HA   GLN 707           HA       GLN 707 -20.291  -8.310  -4.722
  435   1HB   GLN 707          2HB       GLN 707 -22.234  -9.899  -3.828
  436   2HB   GLN 707          1HB       GLN 707 -23.143  -9.083  -5.092
  437   1HG   GLN 707          2HG       GLN 707 -22.352 -10.769  -6.349
  438   2HG   GLN 707          1HG       GLN 707 -20.941  -9.720  -6.475
  439   1HE2  GLN 707          1HE2      GLN 707 -22.176 -12.694  -5.349
  440   2HE2  GLN 707          2HE2      GLN 707 -20.721 -13.298  -4.642
  Start of MODEL    4
    1    H    THR1101           H        THR1101  -8.084  12.152   4.001
    2    HA   THR1101           HA       THR1101  -9.827  11.269   6.182
    3    HB   THR1101           HB       THR1101 -10.295  12.291   3.371
    4    HG1  THR1101           1HG      THR1101  -9.571  13.893   4.833
    5   1HG2  THR1101          1HG2      THR1101 -12.086  11.045   5.283
    6   2HG2  THR1101          2HG2      THR1101 -12.323  11.414   3.575
    7   3HG2  THR1101          3HG2      THR1101 -12.612  12.655   4.793
    8    H    ILE1102           H        ILE1102  -8.867   9.121   6.193
    9    HA   ILE1102           HA       ILE1102 -10.089   7.426   4.161
   10    HB   ILE1102           HB       ILE1102  -7.199   7.003   4.898
   11   1HG1  ILE1102          2HG1      ILE1102  -8.302   8.321   2.405
   12   2HG1  ILE1102          1HG1      ILE1102  -7.427   9.145   3.693
   13   1HG2  ILE1102          1HG2      ILE1102  -7.263   5.578   2.850
   14   2HG2  ILE1102          2HG2      ILE1102  -9.005   5.843   2.786
   15   3HG2  ILE1102          3HG2      ILE1102  -8.290   5.008   4.165
   16   1HD1  ILE1102          1HD1      ILE1102  -5.924   6.902   2.695
   17   2HD1  ILE1102          2HD1      ILE1102  -5.476   8.605   2.799
   18   3HD1  ILE1102          3HD1      ILE1102  -6.364   8.010   1.395
   19    H    SER1103           H        SER1103 -10.175   5.160   4.793
   20    HA   SER1103           HA       SER1103 -10.818   4.866   7.553
   21   1HB   SER1103          2HB       SER1103 -10.702   2.929   5.242
   22   2HB   SER1103          1HB       SER1103 -11.123   2.418   6.876
   23    HG   SER1103           HG       SER1103 -12.897   3.778   6.818
   24    H    ASN1104           H        ASN1104  -9.994   2.763   8.687
   25    HA   ASN1104           HA       ASN1104  -7.126   3.076   8.939
   26   1HB   ASN1104          2HB       ASN1104  -9.297   1.885  10.572
   27   2HB   ASN1104          1HB       ASN1104  -7.695   1.177  10.752
   28   1HD2  ASN1104          1HD2      ASN1104  -9.698   3.311  12.081
   29   2HD2  ASN1104          2HD2      ASN1104  -8.571   4.435  12.754
   30    HA   PRO1105           HA       PRO1105  -6.484  -0.585   6.443
   31   1HB   PRO1105          2HB       PRO1105  -3.666  -0.353   6.688
   32   2HB   PRO1105          1HB       PRO1105  -4.674   0.219   5.360
   33   1HG   PRO1105          2HG       PRO1105  -3.251   1.820   7.156
   34   2HG   PRO1105          1HG       PRO1105  -4.530   2.363   6.062
   35   1HD   PRO1105          2HD       PRO1105  -4.651   1.762   8.972
   36   2HD   PRO1105          1HD       PRO1105  -5.566   2.947   8.017
   37    HA   PRO1106           HA       PRO1106  -5.917  -3.933   9.271
   38   1HB   PRO1106          2HB       PRO1106  -4.230  -5.136   7.125
   39   2HB   PRO1106          1HB       PRO1106  -5.603  -5.828   7.998
   40   1HG   PRO1106          2HG       PRO1106  -5.891  -4.972   5.498
   41   2HG   PRO1106          1HG       PRO1106  -7.165  -4.701   6.700
   42   1HD   PRO1106          2HD       PRO1106  -5.167  -2.783   5.585
   43   2HD   PRO1106          1HD       PRO1106  -6.860  -2.510   6.050
   44    HA   PRO1107           HA       PRO1107  -1.966  -3.580  11.198
   45   1HB   PRO1107          2HB       PRO1107  -1.451  -6.097  12.080
   46   2HB   PRO1107          1HB       PRO1107  -2.673  -5.051  12.813
   47   1HG   PRO1107          2HG       PRO1107  -3.018  -7.267  10.831
   48   2HG   PRO1107          1HG       PRO1107  -3.987  -6.890  12.268
   49   1HD   PRO1107          2HD       PRO1107  -4.767  -6.207   9.768
   50   2HD   PRO1107          1HD       PRO1107  -5.163  -5.224  11.193
   51    H    LEU1108           H        LEU1108   0.289  -4.133  11.098
   52    HA   LEU1108           HA       LEU1108   1.045  -5.171   8.466
   53   1HB   LEU1108          2HB       LEU1108   2.352  -3.373  10.466
   54   2HB   LEU1108          1HB       LEU1108   3.347  -4.227   9.302
   55    HG   LEU1108           HG       LEU1108   1.058  -2.429   8.513
   56   1HD1  LEU1108          1HD1      LEU1108   2.519  -0.937   9.534
   57   2HD1  LEU1108          2HD1      LEU1108   3.010  -0.895   7.840
   58   3HD1  LEU1108          3HD1      LEU1108   3.950  -1.825   9.007
   59   1HD2  LEU1108          1HD2      LEU1108   1.918  -4.239   6.943
   60   2HD2  LEU1108          2HD2      LEU1108   3.411  -3.304   6.865
   61   3HD2  LEU1108          3HD2      LEU1108   1.893  -2.589   6.324
   62    H    ILE1109           H        ILE1109   2.596  -6.787   8.195
   63    HA   ILE1109           HA       ILE1109   3.122  -8.402  10.605
   64    HB   ILE1109           HB       ILE1109   3.517 -10.219   8.688
   65   1HG1  ILE1109          2HG1      ILE1109   1.236  -8.620   7.541
   66   2HG1  ILE1109          1HG1      ILE1109   2.886  -8.454   6.956
   67   1HG2  ILE1109          1HG2      ILE1109   1.836 -10.027  10.684
   68   2HG2  ILE1109          2HG2      ILE1109   1.568 -11.206   9.400
   69   3HG2  ILE1109          3HG2      ILE1109   0.673  -9.686   9.403
   70   1HD1  ILE1109          1HD1      ILE1109   2.928 -10.610   6.095
   71   2HD1  ILE1109          2HD1      ILE1109   1.307 -10.032   5.712
   72   3HD1  ILE1109          3HD1      ILE1109   1.554 -11.127   7.073
   73    H    SER1110           H        SER1110   5.175  -8.552  11.213
   74    HA   SER1110           HA       SER1110   7.269  -7.555   9.484
   75   1HB   SER1110          2HB       SER1110   8.704  -8.166  11.549
   76   2HB   SER1110          1HB       SER1110   7.541  -6.850  11.708
   77    HG   SER1110           HG       SER1110   6.322  -8.055  12.987
   78    H    SER1111           H        SER1111   8.748  -8.727   8.409
   79    HA   SER1111           HA       SER1111   8.804 -11.635   8.869
   80   1HB   SER1111          2HB       SER1111   8.853 -12.078   6.536
   81   2HB   SER1111          1HB       SER1111   7.557 -10.904   6.765
   82    HG   SER1111           HG       SER1111   9.702 -10.697   5.220
   83    H    ALA1112           H        ALA1112  10.750 -12.340   9.411
   84    HA   ALA1112           HA       ALA1112  13.127 -11.532   8.070
   85   1HB   ALA1112          1HB       ALA1112  14.062 -10.800  10.497
   86   2HB   ALA1112          2HB       ALA1112  12.409 -10.188  10.589
   87   3HB   ALA1112          3HB       ALA1112  13.472  -9.665   9.282
   88    H    LYS1113           H        LYS1113  14.985 -12.745   8.736
   89    HA   LYS1113           HA       LYS1113  14.421 -14.953  10.593
   90   1HB   LYS1113          2HB       LYS1113  15.499 -15.137   7.787
   91   2HB   LYS1113          1HB       LYS1113  15.769 -16.409   8.970
   92   1HG   LYS1113          2HG       LYS1113  13.608 -17.104   8.928
   93   2HG   LYS1113          1HG       LYS1113  12.981 -15.494   8.563
   94   1HD   LYS1113          2HD       LYS1113  14.466 -16.100   6.327
   95   2HD   LYS1113          1HD       LYS1113  13.760 -17.656   6.764
   96   1HE   LYS1113          2HE       LYS1113  12.143 -16.750   5.379
   97   2HE   LYS1113          1HE       LYS1113  11.555 -16.314   6.983
   98   1HZ   LYS1113          1HZ       LYS1113  11.417 -14.288   6.053
   99   2HZ   LYS1113          2HZ       LYS1113  12.566 -14.618   4.858
  100   3HZ   LYS1113          3HZ       LYS1113  13.067 -14.200   6.418
  101    H    ASP 658           H        ASP 658   9.213 -13.048  -0.540
  102    HA   ASP 658           HA       ASP 658  11.053 -11.601   1.094
  103   1HB   ASP 658          2HB       ASP 658  12.254 -13.798   1.217
  104   2HB   ASP 658          1HB       ASP 658  10.556 -13.882   1.672
  105    H    SER 659           H        SER 659  11.020 -12.700  -2.219
  106    HA   SER 659           HA       SER 659  13.752 -12.556  -2.801
  107   1HB   SER 659          2HB       SER 659  11.237 -12.464  -4.381
  108   2HB   SER 659          1HB       SER 659  12.690 -11.856  -5.171
  109    HG   SER 659           HG       SER 659  13.676 -13.901  -4.522
  110    H    SER 660           H        SER 660  11.284 -10.061  -2.638
  111    HA   SER 660           HA       SER 660  13.347  -8.043  -3.239
  112   1HB   SER 660          2HB       SER 660  11.136  -8.303  -4.662
  113   2HB   SER 660          1HB       SER 660  10.429  -7.387  -3.333
  114    HG   SER 660           HG       SER 660  11.324  -5.671  -4.124
  115    H    GLU 661           H        GLU 661  13.188  -6.009  -2.051
  116    HA   GLU 661           HA       GLU 661  11.639  -5.945   0.377
  117   1HB   GLU 661          2HB       GLU 661  13.793  -7.367   0.762
  118   2HB   GLU 661          1HB       GLU 661  14.609  -5.810   0.764
  119   1HG   GLU 661          2HG       GLU 661  12.958  -5.106   2.550
  120   2HG   GLU 661          1HG       GLU 661  12.507  -6.807   2.658
  121    H    SER 662           H        SER 662  10.902  -3.932   0.313
  122    HA   SER 662           HA       SER 662  12.567  -1.688   0.577
  123   1HB   SER 662          2HB       SER 662  12.532  -0.648  -1.517
  124   2HB   SER 662          1HB       SER 662  12.845  -2.336  -1.919
  125    HG   SER 662           HG       SER 662  10.499  -2.496  -2.210
  126    H    CYS 663           H        CYS 663  11.427   0.036   1.319
  127    HA   CYS 663           HA       CYS 663   8.710  -0.358   2.030
  128   1HB   CYS 663          2HB       CYS 663  10.501   1.012   3.249
  129   2HB   CYS 663          1HB       CYS 663  10.149   2.282   2.086
  130    H    TRP 664           H        TRP 664   6.909   0.122   0.963
  131    HA   TRP 664           HA       TRP 664   6.928   1.031  -1.695
  132   1HB   TRP 664          2HB       TRP 664   4.719   0.697   0.326
  133   2HB   TRP 664          1HB       TRP 664   4.408   1.261  -1.312
  134    HD1  TRP 664           HD       TRP 664   6.944  -1.521  -0.550
  135    HE1  TRP 664           1HE      TRP 664   6.105  -3.704  -1.626
  136    HE3  TRP 664           3HE      TRP 664   2.340   0.060  -2.124
  137    HZ2  TRP 664           2HZ      TRP 664   3.801  -4.633  -2.964
  138    HZ3  TRP 664           3HZ      TRP 664   0.882  -1.542  -3.292
  139    HH2  TRP 664           HH       TRP 664   1.597  -3.836  -3.702
  140    H    ASN 665           H        ASN 665   6.707   2.735   1.322
  141    HA   ASN 665           HA       ASN 665   5.880   5.209  -0.002
  142   1HB   ASN 665          2HB       ASN 665   4.675   4.952   1.979
  143   2HB   ASN 665          1HB       ASN 665   6.058   4.312   2.858
  144   1HD2  ASN 665          1HD2      ASN 665   6.761   5.636   4.351
  145   2HD2  ASN 665          2HD2      ASN 665   6.768   7.361   4.275
  146    H    CYS 666           H        CYS 666   8.371   4.326   2.405
  147    HA   CYS 666           HA       CYS 666   9.927   6.601   2.128
  148   1HB   CYS 666          2HB       CYS 666  10.667   3.798   2.946
  149   2HB   CYS 666          1HB       CYS 666  11.817   5.128   2.987
  150    H    GLY 667           H        GLY 667  10.644   3.405   0.642
  151   1HA   GLY 667          2HA       GLY 667  11.223   3.204  -1.669
  152   2HA   GLY 667          1HA       GLY 667  11.778   4.870  -1.641
  153    H    ARG 668           H        ARG 668  12.630   2.731   0.954
  154    HA   ARG 668           HA       ARG 668  15.321   2.412  -0.187
  155   1HB   ARG 668          2HB       ARG 668  14.811   4.165   1.813
  156   2HB   ARG 668          1HB       ARG 668  15.143   2.715   2.748
  157   1HG   ARG 668          2HG       ARG 668  17.333   2.765   2.285
  158   2HG   ARG 668          1HG       ARG 668  17.071   3.244   0.608
  159   1HD   ARG 668          2HD       ARG 668  16.677   5.151   2.896
  160   2HD   ARG 668          1HD       ARG 668  18.250   4.913   2.137
  161    HE   ARG 668           HE       ARG 668  16.147   5.515   0.273
  162   1HH1  ARG 668          1HH1      ARG 668  18.536   6.870   2.425
  163   2HH1  ARG 668          2HH1      ARG 668  18.621   8.380   1.582
  164   1HH2  ARG 668          1HH2      ARG 668  16.258   7.500  -0.838
  165   2HH2  ARG 668          2HH2      ARG 668  17.328   8.738  -0.271
  166    H    LYS 669           H        LYS 669  13.683   1.414   2.823
  167    HA   LYS 669           HA       LYS 669  13.802  -1.366   1.999
  168   1HB   LYS 669          2HB       LYS 669  15.466  -0.218   4.216
  169   2HB   LYS 669          1HB       LYS 669  14.914  -1.887   4.292
  170   1HG   LYS 669          2HG       LYS 669  16.474  -0.746   1.990
  171   2HG   LYS 669          1HG       LYS 669  17.205  -1.579   3.364
  172   1HD   LYS 669          2HD       LYS 669  16.606  -3.601   2.599
  173   2HD   LYS 669          1HD       LYS 669  14.993  -3.049   2.141
  174   1HE   LYS 669          2HE       LYS 669  16.257  -3.787   0.190
  175   2HE   LYS 669          1HE       LYS 669  15.906  -2.063   0.102
  176   1HZ   LYS 669          1HZ       LYS 669  18.090  -1.992  -0.409
  177   2HZ   LYS 669          2HZ       LYS 669  18.462  -3.424   0.412
  178   3HZ   LYS 669          3HZ       LYS 669  18.270  -1.981   1.274
  179    H    ALA 670           H        ALA 670  12.484  -2.740   3.201
  180    HA   ALA 670           HA       ALA 670  10.871  -1.562   5.341
  181   1HB   ALA 670          1HB       ALA 670   8.987  -1.460   4.169
  182   2HB   ALA 670          2HB       ALA 670   9.161  -3.140   3.662
  183   3HB   ALA 670          3HB       ALA 670   9.914  -1.853   2.722
  184    H    SER 671           H        SER 671  10.148  -3.014   6.868
  185    HA   SER 671           HA       SER 671  11.007  -5.808   6.495
  186   1HB   SER 671          2HB       SER 671  11.209  -3.990   8.877
  187   2HB   SER 671          1HB       SER 671  11.160  -5.740   9.092
  188    HG   SER 671           HG       SER 671  12.994  -4.404   7.391
  189    H    GLU 672           H        GLU 672   8.331  -3.854   6.837
  190    HA   GLU 672           HA       GLU 672   6.783  -5.988   8.148
  191   1HB   GLU 672          2HB       GLU 672   5.640  -3.262   7.703
  192   2HB   GLU 672          1HB       GLU 672   5.301  -4.420   8.980
  193   1HG   GLU 672          2HG       GLU 672   7.941  -3.013   8.788
  194   2HG   GLU 672          1HG       GLU 672   6.555  -2.296   9.608
  195    H    THR 673           H        THR 673   4.623  -6.397   7.299
  196    HA   THR 673           HA       THR 673   4.323  -5.746   4.453
  197    HB   THR 673           HB       THR 673   4.147  -8.511   5.669
  198    HG1  THR 673           1HG      THR 673   6.251  -7.721   5.126
  199   1HG2  THR 673          1HG2      THR 673   2.713  -7.550   3.457
  200   2HG2  THR 673          2HG2      THR 673   2.930  -9.224   3.968
  201   3HG2  THR 673          3HG2      THR 673   4.051  -8.501   2.813
  202    H    CYS 674           H        CYS 674   2.265  -5.444   3.745
  203    HA   CYS 674           HA       CYS 674   0.248  -4.898   5.658
  204   1HB   CYS 674          2HB       CYS 674   0.346  -3.692   3.546
  205   2HB   CYS 674          1HB       CYS 674   0.101  -5.185   2.648
  206    H    SER 675           H        SER 675  -0.533  -6.556   6.834
  207    HA   SER 675           HA       SER 675  -0.814  -9.206   5.925
  208   1HB   SER 675          2HB       SER 675  -1.930  -9.639   8.014
  209   2HB   SER 675          1HB       SER 675  -0.622  -8.497   8.319
  210    HG   SER 675           HG       SER 675  -3.377  -7.880   8.019
  211    H    GLY 676           H        GLY 676  -2.702  -6.509   5.191
  212   1HA   GLY 676          2HA       GLY 676  -5.249  -7.846   5.059
  213   2HA   GLY 676          1HA       GLY 676  -4.873  -6.250   4.429
  214    H    CYS 677           H        CYS 677  -2.794  -6.863   2.690
  215    HA   CYS 677           HA       CYS 677  -4.194  -8.523   0.698
  216   1HB   CYS 677          2HB       CYS 677  -3.020  -7.151  -1.014
  217   2HB   CYS 677          1HB       CYS 677  -4.125  -6.220  -0.009
  218    H    ASN 678           H        ASN 678  -1.393  -8.257   2.593
  219    HA   ASN 678           HA       ASN 678   0.534  -9.451   2.725
  220   1HB   ASN 678          2HB       ASN 678  -1.402 -11.239   1.468
  221   2HB   ASN 678          1HB       ASN 678   0.259 -11.629   1.030
  222   1HD2  ASN 678          1HD2      ASN 678   1.739 -11.290   3.126
  223   2HD2  ASN 678          2HD2      ASN 678   1.194 -12.202   4.489
  224    H    THR 679           H        THR 679   0.058  -7.471   0.503
  225    HA   THR 679           HA       THR 679   2.204  -8.403  -1.286
  226    HB   THR 679           HB       THR 679  -0.168  -6.650  -1.930
  227    HG1  THR 679           1HG      THR 679  -0.650  -8.847  -1.936
  228   1HG2  THR 679          1HG2      THR 679   1.111  -5.735  -3.506
  229   2HG2  THR 679          2HG2      THR 679   0.958  -7.290  -4.325
  230   3HG2  THR 679          3HG2      THR 679   2.373  -6.955  -3.327
  231    H    ALA 680           H        ALA 680   0.805  -5.654   0.397
  232    HA   ALA 680           HA       ALA 680   2.807  -3.796  -0.447
  233   1HB   ALA 680          1HB       ALA 680   1.634  -2.798   1.879
  234   2HB   ALA 680          2HB       ALA 680   0.369  -3.727   1.078
  235   3HB   ALA 680          3HB       ALA 680   1.190  -2.429   0.213
  236    H    ARG 681           H        ARG 681   4.353  -2.751   0.895
  237    HA   ARG 681           HA       ARG 681   5.177  -4.207   3.300
  238   1HB   ARG 681          2HB       ARG 681   6.970  -3.531   0.960
  239   2HB   ARG 681          1HB       ARG 681   7.555  -4.065   2.531
  240   1HG   ARG 681          2HG       ARG 681   5.540  -5.786   1.233
  241   2HG   ARG 681          1HG       ARG 681   7.133  -5.718   0.473
  242   1HD   ARG 681          2HD       ARG 681   7.062  -6.052   3.412
  243   2HD   ARG 681          1HD       ARG 681   6.523  -7.423   2.442
  244    HE   ARG 681           HE       ARG 681   9.054  -6.275   1.646
  245   1HH1  ARG 681          1HH1      ARG 681   7.448  -8.678   3.605
  246   2HH1  ARG 681          2HH1      ARG 681   8.841  -9.699   3.714
  247   1HH2  ARG 681          1HH2      ARG 681  10.886  -7.619   1.791
  248   2HH2  ARG 681          2HH2      ARG 681  10.793  -9.098   2.686
  249    H    TYR 682           H        TYR 682   6.110  -2.934   4.873
  250    HA   TYR 682           HA       TYR 682   6.877  -0.205   4.277
  251   1HB   TYR 682          2HB       TYR 682   4.533  -0.853   6.073
  252   2HB   TYR 682          1HB       TYR 682   5.347   0.708   6.052
  253    HD1  TYR 682           1HD      TYR 682   5.362   2.022   3.874
  254    HD2  TYR 682           2HD      TYR 682   2.845  -1.348   4.516
  255    HE1  TYR 682           1HE      TYR 682   3.921   2.752   2.020
  256    HE2  TYR 682           2HE      TYR 682   1.397  -0.627   2.664
  257    HH   TYR 682           HH       TYR 682   2.304   1.713   0.424
  258    H    CYS 683           H        CYS 683   8.169   0.730   5.896
  259    HA   CYS 683           HA       CYS 683   9.298  -1.228   7.732
  260   1HB   CYS 683          2HB       CYS 683  11.185   0.240   7.937
  261   2HB   CYS 683          1HB       CYS 683  10.778   0.114   6.232
  262    H    GLY 684           H        GLY 684   7.162   1.469   7.808
  263   1HA   GLY 684          2HA       GLY 684   7.060   1.236  10.716
  264   2HA   GLY 684          1HA       GLY 684   7.458   2.821  10.072
  265    H    SER 685           H        SER 685   5.180   1.992  11.679
  266    HA   SER 685           HA       SER 685   2.812   1.638  10.329
  267   1HB   SER 685          2HB       SER 685   1.761   2.889  12.270
  268   2HB   SER 685          1HB       SER 685   2.801   1.532  12.705
  269    HG   SER 685           HG       SER 685   4.416   2.969  13.248
  270    H    PHE 686           H        PHE 686   4.798   4.476  10.374
  271    HA   PHE 686           HA       PHE 686   2.674   6.238   9.535
  272   1HB   PHE 686          2HB       PHE 686   4.505   7.905   9.217
  273   2HB   PHE 686          1HB       PHE 686   4.440   7.224  10.836
  274    HD1  PHE 686           1HD      PHE 686   6.144   5.601  11.565
  275    HD2  PHE 686           2HD      PHE 686   6.389   7.583   7.808
  276    HE1  PHE 686           1HE      PHE 686   8.525   5.000  11.409
  277    HE2  PHE 686           2HE      PHE 686   8.769   6.982   7.642
  278    HZ   PHE 686           HZ       PHE 686   9.840   5.690   9.445
  279    H    CYS 687           H        CYS 687   5.246   4.392   8.038
  280    HA   CYS 687           HA       CYS 687   5.132   5.559   5.478
  281   1HB   CYS 687          2HB       CYS 687   5.844   2.687   6.061
  282   2HB   CYS 687          1HB       CYS 687   6.404   3.685   4.724
  283    H    GLN 688           H        GLN 688   3.442   2.777   6.866
  284    HA   GLN 688           HA       GLN 688   2.136   1.965   4.518
  285   1HB   GLN 688          2HB       GLN 688   0.480   0.904   6.105
  286   2HB   GLN 688          1HB       GLN 688   2.159   0.420   6.291
  287   1HG   GLN 688          2HG       GLN 688   1.880   0.840   8.451
  288   2HG   GLN 688          1HG       GLN 688   1.954   2.545   8.008
  289   1HE2  GLN 688          1HE2      GLN 688  -0.588   0.173   7.410
  290   2HE2  GLN 688          2HE2      GLN 688  -1.817   1.015   8.274
  291    H    HIS 689           H        HIS 689   1.180   4.244   7.044
  292    HA   HIS 689           HA       HIS 689  -1.393   4.771   5.983
  293   1HB   HIS 689          2HB       HIS 689   0.316   5.866   8.113
  294   2HB   HIS 689          1HB       HIS 689  -0.803   7.026   7.400
  295    HD1  HIS 689           1HD      HIS 689  -1.975   6.966   9.805
  296    HD2  HIS 689           2HD      HIS 689  -2.218   3.476   7.562
  297    HE1  HIS 689           1HE      HIS 689  -3.811   5.614  10.868
  298    HE2  HIS 689           2HE      HIS 689  -3.876   3.466   9.553
  299    H    LYS 690           H        LYS 690   1.766   6.245   5.497
  300    HA   LYS 690           HA       LYS 690   0.998   8.575   4.178
  301   1HB   LYS 690          2HB       LYS 690   3.348   7.675   4.933
  302   2HB   LYS 690          1HB       LYS 690   3.423   7.062   3.289
  303   1HG   LYS 690          2HG       LYS 690   3.161   9.926   4.166
  304   2HG   LYS 690          1HG       LYS 690   4.522   9.168   3.340
  305   1HD   LYS 690          2HD       LYS 690   1.757   9.570   2.200
  306   2HD   LYS 690          1HD       LYS 690   3.187  10.522   1.803
  307   1HE   LYS 690          2HE       LYS 690   3.681   7.690   1.470
  308   2HE   LYS 690          1HE       LYS 690   2.292   8.215   0.520
  309   1HZ   LYS 690          1HZ       LYS 690   3.594   9.788  -0.615
  310   2HZ   LYS 690          2HZ       LYS 690   4.527   8.378  -0.591
  311   3HZ   LYS 690          3HZ       LYS 690   4.885   9.646   0.470
  312    H    ASP 691           H        ASP 691   1.867   5.426   2.766
  313    HA   ASP 691           HA       ASP 691   0.955   6.275   0.149
  314   1HB   ASP 691          2HB       ASP 691   2.389   3.913   1.252
  315   2HB   ASP 691          1HB       ASP 691   1.461   3.674  -0.225
  316    H    TRP 692           H        TRP 692  -0.480   4.969   2.899
  317    HA   TRP 692           HA       TRP 692  -2.225   3.051   2.106
  318   1HB   TRP 692          2HB       TRP 692  -2.107   3.861   4.404
  319   2HB   TRP 692          1HB       TRP 692  -2.849   5.384   3.925
  320    HD1  TRP 692           HD       TRP 692  -5.150   5.325   5.081
  321    HE1  TRP 692           1HE      TRP 692  -7.141   3.689   5.106
  322    HE3  TRP 692           3HE      TRP 692  -3.047   1.431   2.515
  323    HZ2  TRP 692           2HZ      TRP 692  -7.740   1.103   4.162
  324    HZ3  TRP 692           3HZ      TRP 692  -4.397  -0.583   2.116
  325    HH2  TRP 692           HH       TRP 692  -6.695  -0.744   2.925
  326    H    GLU 693           H        GLU 693  -2.673   6.552   1.617
  327    HA   GLU 693           HA       GLU 693  -5.240   6.538   0.619
  328   1HB   GLU 693          2HB       GLU 693  -4.866   8.708   0.259
  329   2HB   GLU 693          1HB       GLU 693  -3.262   8.424   0.917
  330   1HG   GLU 693          2HG       GLU 693  -2.441   8.015  -1.382
  331   2HG   GLU 693          1HG       GLU 693  -4.044   8.429  -1.990
  332    H    LYS 694           H        LYS 694  -2.223   5.885  -1.116
  333    HA   LYS 694           HA       LYS 694  -3.648   5.470  -3.603
  334   1HB   LYS 694          2HB       LYS 694  -0.737   5.307  -2.840
  335   2HB   LYS 694          1HB       LYS 694  -1.325   4.863  -4.436
  336   1HG   LYS 694          2HG       LYS 694  -1.983   7.060  -4.927
  337   2HG   LYS 694          1HG       LYS 694  -1.871   7.557  -3.237
  338   1HD   LYS 694          2HD       LYS 694   0.465   6.713  -4.950
  339   2HD   LYS 694          1HD       LYS 694   0.009   8.385  -4.619
  340   1HE   LYS 694          2HE       LYS 694   0.188   6.948  -2.153
  341   2HE   LYS 694          1HE       LYS 694   1.663   6.688  -3.084
  342   1HZ   LYS 694          1HZ       LYS 694   0.523   9.239  -2.125
  343   2HZ   LYS 694          2HZ       LYS 694   1.647   9.201  -3.388
  344   3HZ   LYS 694          3HZ       LYS 694   2.071   8.609  -1.862
  345    H    HIS 695           H        HIS 695  -1.713   3.539  -1.334
  346    HA   HIS 695           HA       HIS 695  -1.853   1.107  -2.653
  347   1HB   HIS 695          2HB       HIS 695  -0.349   1.495  -0.782
  348   2HB   HIS 695          1HB       HIS 695  -1.717   1.636   0.318
  349    HD1  HIS 695           1HD      HIS 695  -0.796  -1.051  -2.241
  350    HD2  HIS 695           2HD      HIS 695  -1.797  -0.603   1.766
  351    HE1  HIS 695           1HE      HIS 695  -0.904  -3.384  -1.275
  352    H    HIS 696           H        HIS 696  -4.133   2.454  -0.275
  353    HA   HIS 696           HA       HIS 696  -5.696   0.211   0.079
  354   1HB   HIS 696          2HB       HIS 696  -7.389   1.593   0.980
  355   2HB   HIS 696          1HB       HIS 696  -5.850   2.323   1.404
  356    HD1  HIS 696           1HD      HIS 696  -8.288   2.762  -1.510
  357    HD2  HIS 696           2HD      HIS 696  -6.045   4.968   1.195
  358    HE1  HIS 696           1HE      HIS 696  -8.802   5.173  -2.010
  359    HE2  HIS 696           2HE      HIS 696  -7.499   6.483  -0.307
  360    H    HIS 697           H        HIS 697  -5.614   2.326  -2.709
  361    HA   HIS 697           HA       HIS 697  -8.139   1.680  -3.790
  362   1HB   HIS 697          2HB       HIS 697  -5.571   2.281  -5.277
  363   2HB   HIS 697          1HB       HIS 697  -7.194   2.357  -5.944
  364    HD1  HIS 697           1HD      HIS 697  -8.686   4.078  -4.010
  365    HD2  HIS 697           2HD      HIS 697  -4.742   4.819  -5.079
  366    HE1  HIS 697           1HE      HIS 697  -8.318   6.528  -3.572
  367    HE2  HIS 697           2HE      HIS 697  -5.897   6.930  -4.134
  368    H    ILE 698           H        ILE 698  -5.157  -0.089  -3.529
  369    HA   ILE 698           HA       ILE 698  -6.217  -2.165  -5.328
  370    HB   ILE 698           HB       ILE 698  -3.479  -2.677  -4.701
  371   1HG1  ILE 698          2HG1      ILE 698  -3.095  -0.381  -6.304
  372   2HG1  ILE 698          1HG1      ILE 698  -4.037   0.135  -4.913
  373   1HG2  ILE 698          1HG2      ILE 698  -4.249  -1.717  -7.384
  374   2HG2  ILE 698          2HG2      ILE 698  -5.111  -3.121  -6.755
  375   3HG2  ILE 698          3HG2      ILE 698  -3.355  -3.158  -6.899
  376   1HD1  ILE 698          1HD1      ILE 698  -1.414  -1.325  -4.824
  377   2HD1  ILE 698          2HD1      ILE 698  -2.363  -0.825  -3.424
  378   3HD1  ILE 698          3HD1      ILE 698  -1.670   0.390  -4.499
  379    H    CYS 699           H        CYS 699  -5.790  -1.474  -2.108
  380    HA   CYS 699           HA       CYS 699  -4.896  -3.992  -1.135
  381   1HB   CYS 699          2HB       CYS 699  -5.062  -1.642   0.045
  382   2HB   CYS 699          1HB       CYS 699  -6.655  -2.223   0.514
  383    H    GLY 700           H        GLY 700  -5.970  -5.823  -0.668
  384   1HA   GLY 700          2HA       GLY 700  -7.682  -7.349  -0.556
  385   2HA   GLY 700          1HA       GLY 700  -8.717  -6.009  -0.086
  386    H    GLN 701           H        GLN 701  -7.013  -5.955  -3.118
  387    HA   GLN 701           HA       GLN 701  -9.078  -7.119  -4.693
  388   1HB   GLN 701          2HB       GLN 701 -10.211  -5.023  -4.035
  389   2HB   GLN 701          1HB       GLN 701  -8.883  -4.101  -4.728
  390   1HG   GLN 701          2HG       GLN 701  -9.661  -5.753  -6.792
  391   2HG   GLN 701          1HG       GLN 701 -11.182  -5.319  -6.013
  392   1HE2  GLN 701          1HE2      GLN 701 -11.791  -3.137  -5.922
  393   2HE2  GLN 701          2HE2      GLN 701 -11.107  -1.962  -6.987
  394    H    THR 702           H        THR 702  -7.314  -8.183  -5.614
  395    HA   THR 702           HA       THR 702  -5.455  -6.510  -7.160
  396    HB   THR 702           HB       THR 702  -5.003  -9.437  -6.813
  397    HG1  THR 702           1HG      THR 702  -4.485  -7.528  -4.782
  398   1HG2  THR 702          1HG2      THR 702  -3.416  -7.075  -7.425
  399   2HG2  THR 702          2HG2      THR 702  -3.120  -8.775  -7.791
  400   3HG2  THR 702          3HG2      THR 702  -2.687  -8.125  -6.209
  401    H    LEU 703           H        LEU 703  -4.636  -7.794  -9.192
  402    HA   LEU 703           HA       LEU 703  -6.619  -9.397 -10.517
  403   1HB   LEU 703          2HB       LEU 703  -7.073  -6.726 -10.686
  404   2HB   LEU 703          1HB       LEU 703  -6.044  -6.967 -12.086
  405    HG   LEU 703           HG       LEU 703  -7.630  -8.762 -12.842
  406   1HD1  LEU 703          1HD1      LEU 703  -9.868  -8.787 -11.867
  407   2HD1  LEU 703          2HD1      LEU 703  -9.347  -7.638 -10.635
  408   3HD1  LEU 703          3HD1      LEU 703  -8.648  -9.257 -10.685
  409   1HD2  LEU 703          1HD2      LEU 703  -9.535  -6.911 -13.191
  410   2HD2  LEU 703          2HD2      LEU 703  -8.016  -6.915 -14.088
  411   3HD2  LEU 703          3HD2      LEU 703  -8.206  -5.871 -12.679
  412    H    GLN 704           H        GLN 704  -3.756  -7.343 -10.932
  413    HA   GLN 704           HA       GLN 704  -2.508  -9.526 -12.445
  414   1HB   GLN 704          2HB       GLN 704  -2.415  -6.602 -13.211
  415   2HB   GLN 704          1HB       GLN 704  -1.499  -7.885 -13.990
  416   1HG   GLN 704          2HG       GLN 704  -4.377  -8.375 -13.870
  417   2HG   GLN 704          1HG       GLN 704  -3.919  -6.956 -14.810
  418   1HE2  GLN 704          1HE2      GLN 704  -2.616 -10.226 -14.325
  419   2HE2  GLN 704          2HE2      GLN 704  -2.448 -10.593 -16.005
  420    H    ALA 705           H        ALA 705  -0.251  -9.668 -12.263
  421    HA   ALA 705           HA       ALA 705   0.822  -8.284  -9.910
  422   1HB   ALA 705          1HB       ALA 705   0.786 -10.834 -10.121
  423   2HB   ALA 705          2HB       ALA 705   2.296 -10.077  -9.611
  424   3HB   ALA 705          3HB       ALA 705   2.104 -10.628 -11.275
  425    H    GLN 706           H        GLN 706   2.152  -6.632 -10.206
  426    HA   GLN 706           HA       GLN 706   3.853  -6.602 -12.610
  427   1HB   GLN 706          2HB       GLN 706   1.805  -4.775 -11.941
  428   2HB   GLN 706          1HB       GLN 706   3.326  -3.936 -11.668
  429   1HG   GLN 706          2HG       GLN 706   3.356  -5.393 -14.161
  430   2HG   GLN 706          1HG       GLN 706   2.004  -4.263 -14.081
  431   1HE2  GLN 706          1HE2      GLN 706   2.378  -2.153 -14.366
  432   2HE2  GLN 706          2HE2      GLN 706   3.942  -1.441 -14.553
  433    H    GLN 707           H        GLN 707   3.438  -5.399  -9.300
  434    HA   GLN 707           HA       GLN 707   6.375  -5.293  -9.065
  435   1HB   GLN 707          2HB       GLN 707   4.311  -3.548  -7.710
  436   2HB   GLN 707          1HB       GLN 707   6.027  -3.536  -7.330
  437   1HG   GLN 707          2HG       GLN 707   6.557  -2.774  -9.556
  438   2HG   GLN 707          1HG       GLN 707   4.863  -2.892 -10.030
  439   1HE2  GLN 707          1HE2      GLN 707   4.323  -0.842 -10.420
  440   2HE2  GLN 707          2HE2      GLN 707   4.470   0.457  -9.292
  Start of MODEL    5
    1    H    THR1101           H        THR1101  -7.433  11.825   4.709
    2    HA   THR1101           HA       THR1101  -8.805  11.338   6.474
    3    HB   THR1101           HB       THR1101 -11.335  11.640   6.131
    4    HG1  THR1101           1HG      THR1101 -11.229  12.067   3.887
    5   1HG2  THR1101          1HG2      THR1101  -9.347  13.645   6.814
    6   2HG2  THR1101          2HG2      THR1101 -10.864  13.227   7.611
    7   3HG2  THR1101          3HG2      THR1101 -10.866  14.334   6.238
    8    H    ILE1102           H        ILE1102  -8.482   9.206   6.299
    9    HA   ILE1102           HA       ILE1102 -10.206   7.703   4.470
   10    HB   ILE1102           HB       ILE1102  -7.285   7.022   4.775
   11   1HG1  ILE1102          2HG1      ILE1102  -8.608   8.397   2.426
   12   2HG1  ILE1102          1HG1      ILE1102  -7.613   9.220   3.623
   13   1HG2  ILE1102          1HG2      ILE1102  -8.549   5.113   4.191
   14   2HG2  ILE1102          2HG2      ILE1102  -7.802   5.680   2.698
   15   3HG2  ILE1102          3HG2      ILE1102  -9.505   6.015   3.014
   16   1HD1  ILE1102          1HD1      ILE1102  -5.858   8.781   2.355
   17   2HD1  ILE1102          2HD1      ILE1102  -6.826   7.768   1.283
   18   3HD1  ILE1102          3HD1      ILE1102  -6.078   7.069   2.719
   19    H    SER1103           H        SER1103 -10.389   5.418   5.043
   20    HA   SER1103           HA       SER1103 -10.822   5.047   7.799
   21   1HB   SER1103          2HB       SER1103 -11.867   3.825   5.742
   22   2HB   SER1103          1HB       SER1103 -10.492   2.732   5.914
   23    HG   SER1103           HG       SER1103 -11.242   2.057   7.824
   24    H    ASN1104           H        ASN1104  -9.905   3.031   8.950
   25    HA   ASN1104           HA       ASN1104  -7.024   3.361   9.028
   26   1HB   ASN1104          2HB       ASN1104  -9.107   2.362  10.856
   27   2HB   ASN1104          1HB       ASN1104  -7.578   1.490  10.939
   28   1HD2  ASN1104          1HD2      ASN1104  -9.121   4.605  11.294
   29   2HD2  ASN1104          2HD2      ASN1104  -7.877   5.328  12.248
   30    HA   PRO1105           HA       PRO1105  -6.517  -0.242   6.391
   31   1HB   PRO1105          2HB       PRO1105  -3.793  -0.333   6.554
   32   2HB   PRO1105          1HB       PRO1105  -4.669   0.768   5.485
   33   1HG   PRO1105          2HG       PRO1105  -3.472   1.294   8.177
   34   2HG   PRO1105          1HG       PRO1105  -3.427   2.299   6.717
   35   1HD   PRO1105          2HD       PRO1105  -5.125   2.807   8.744
   36   2HD   PRO1105          1HD       PRO1105  -5.573   3.098   7.050
   37    HA   PRO1106           HA       PRO1106  -5.877  -3.651   9.119
   38   1HB   PRO1106          2HB       PRO1106  -4.457  -5.423   7.647
   39   2HB   PRO1106          1HB       PRO1106  -6.148  -5.044   7.306
   40   1HG   PRO1106          2HG       PRO1106  -3.673  -4.009   5.981
   41   2HG   PRO1106          1HG       PRO1106  -5.197  -4.537   5.246
   42   1HD   PRO1106          2HD       PRO1106  -4.577  -1.924   5.637
   43   2HD   PRO1106          1HD       PRO1106  -6.244  -2.535   5.674
   44    HA   PRO1107           HA       PRO1107  -1.987  -3.571  11.205
   45   1HB   PRO1107          2HB       PRO1107  -1.604  -6.136  11.993
   46   2HB   PRO1107          1HB       PRO1107  -2.833  -5.088  12.712
   47   1HG   PRO1107          2HG       PRO1107  -3.137  -7.197  10.608
   48   2HG   PRO1107          1HG       PRO1107  -4.166  -6.862  12.013
   49   1HD   PRO1107          2HD       PRO1107  -4.793  -6.032   9.510
   50   2HD   PRO1107          1HD       PRO1107  -5.246  -5.118  10.962
   51    H    LEU1108           H        LEU1108   0.242  -4.083  11.092
   52    HA   LEU1108           HA       LEU1108   1.053  -5.120   8.480
   53   1HB   LEU1108          2HB       LEU1108   2.355  -3.375  10.538
   54   2HB   LEU1108          1HB       LEU1108   3.337  -4.197   9.341
   55    HG   LEU1108           HG       LEU1108   1.037  -2.427   8.548
   56   1HD1  LEU1108          1HD1      LEU1108   3.201  -0.895   8.065
   57   2HD1  LEU1108          2HD1      LEU1108   3.699  -1.681   9.562
   58   3HD1  LEU1108          3HD1      LEU1108   2.200  -0.755   9.510
   59   1HD2  LEU1108          1HD2      LEU1108   1.759  -2.699   6.433
   60   2HD2  LEU1108          2HD2      LEU1108   2.491  -4.168   7.081
   61   3HD2  LEU1108          3HD2      LEU1108   3.460  -2.705   6.901
   62    H    ILE1109           H        ILE1109   2.567  -6.764   8.228
   63    HA   ILE1109           HA       ILE1109   3.078  -8.370  10.647
   64    HB   ILE1109           HB       ILE1109   3.387 -10.232   8.775
   65   1HG1  ILE1109          2HG1      ILE1109   1.177  -8.565   7.581
   66   2HG1  ILE1109          1HG1      ILE1109   2.832  -8.500   6.992
   67   1HG2  ILE1109          1HG2      ILE1109   1.701  -9.917  10.760
   68   2HG2  ILE1109          2HG2      ILE1109   1.408 -11.131   9.513
   69   3HG2  ILE1109          3HG2      ILE1109   0.559  -9.585   9.457
   70   1HD1  ILE1109          1HD1      ILE1109   2.768 -10.701   6.223
   71   2HD1  ILE1109          2HD1      ILE1109   1.204 -10.021   5.773
   72   3HD1  ILE1109          3HD1      ILE1109   1.333 -11.082   7.176
   73    H    SER1110           H        SER1110   5.140  -8.561  11.216
   74    HA   SER1110           HA       SER1110   7.223  -7.601   9.464
   75   1HB   SER1110          2HB       SER1110   8.717  -8.136  11.415
   76   2HB   SER1110          1HB       SER1110   7.406  -7.020  11.792
   77    HG   SER1110           HG       SER1110   6.403  -8.551  12.941
   78    H    SER1111           H        SER1111   8.541  -8.780   8.233
   79    HA   SER1111           HA       SER1111   8.626 -11.693   8.662
   80   1HB   SER1111          2HB       SER1111   8.750 -11.959   6.184
   81   2HB   SER1111          1HB       SER1111   7.217 -11.283   6.731
   82    HG   SER1111           HG       SER1111   9.393  -9.933   5.528
   83    H    ALA1112           H        ALA1112  10.613 -12.192   9.295
   84    HA   ALA1112           HA       ALA1112  12.882 -11.047   7.823
   85   1HB   ALA1112          1HB       ALA1112  13.944 -10.262   9.652
   86   2HB   ALA1112          2HB       ALA1112  13.351 -11.561  10.686
   87   3HB   ALA1112          3HB       ALA1112  12.310 -10.187  10.311
   88    H    LYS1113           H        LYS1113  12.960 -13.023   6.665
   89    HA   LYS1113           HA       LYS1113  13.354 -15.504   8.085
   90   1HB   LYS1113          2HB       LYS1113  13.156 -14.683   5.225
   91   2HB   LYS1113          1HB       LYS1113  13.960 -16.203   5.595
   92   1HG   LYS1113          2HG       LYS1113  11.862 -16.760   6.955
   93   2HG   LYS1113          1HG       LYS1113  11.112 -15.419   6.086
   94   1HD   LYS1113          2HD       LYS1113  12.427 -17.818   4.810
   95   2HD   LYS1113          1HD       LYS1113  10.688 -17.583   4.997
   96   1HE   LYS1113          2HE       LYS1113  11.359 -15.276   3.773
   97   2HE   LYS1113          1HE       LYS1113  12.581 -16.353   3.099
   98   1HZ   LYS1113          1HZ       LYS1113  10.445 -17.865   2.791
   99   2HZ   LYS1113          2HZ       LYS1113  10.926 -16.735   1.629
  100   3HZ   LYS1113          3HZ       LYS1113   9.691 -16.352   2.718
  101    H    ASP 658           H        ASP 658  16.405  -8.308  -8.089
  102    HA   ASP 658           HA       ASP 658  18.253  -6.787  -6.479
  103   1HB   ASP 658          2HB       ASP 658  16.833  -6.120  -9.066
  104   2HB   ASP 658          1HB       ASP 658  18.053  -5.103  -8.305
  105    H    SER 659           H        SER 659  14.827  -6.768  -7.194
  106    HA   SER 659           HA       SER 659  14.466  -4.310  -5.645
  107   1HB   SER 659          2HB       SER 659  12.836  -5.772  -7.667
  108   2HB   SER 659          1HB       SER 659  11.976  -4.841  -6.441
  109    HG   SER 659           HG       SER 659  13.132  -3.010  -7.094
  110    H    SER 660           H        SER 660  15.263  -6.678  -4.280
  111    HA   SER 660           HA       SER 660  12.892  -7.730  -2.983
  112   1HB   SER 660          2HB       SER 660  15.828  -8.252  -2.452
  113   2HB   SER 660          1HB       SER 660  14.486  -9.121  -1.707
  114    HG   SER 660           HG       SER 660  15.665  -9.763  -3.907
  115    H    GLU 661           H        GLU 661  12.069  -7.054  -1.102
  116    HA   GLU 661           HA       GLU 661  11.741  -5.842   0.793
  117   1HB   GLU 661          2HB       GLU 661  14.629  -6.482   0.838
  118   2HB   GLU 661          1HB       GLU 661  14.121  -5.169   1.890
  119   1HG   GLU 661          2HG       GLU 661  12.411  -6.699   2.855
  120   2HG   GLU 661          1HG       GLU 661  13.119  -8.003   1.903
  121    H    SER 662           H        SER 662  10.913  -3.881   0.489
  122    HA   SER 662           HA       SER 662  12.511  -1.562   0.454
  123   1HB   SER 662          2HB       SER 662  11.423  -0.913  -1.929
  124   2HB   SER 662          1HB       SER 662  13.037  -1.602  -1.756
  125    HG   SER 662           HG       SER 662  10.907  -2.628  -3.005
  126    H    CYS 663           H        CYS 663  11.354   0.026   1.326
  127    HA   CYS 663           HA       CYS 663   8.638  -0.328   2.009
  128   1HB   CYS 663          2HB       CYS 663  10.472   1.087   3.160
  129   2HB   CYS 663          1HB       CYS 663  10.030   2.332   2.002
  130    H    TRP 664           H        TRP 664   6.844   0.097   0.900
  131    HA   TRP 664           HA       TRP 664   6.883   0.999  -1.763
  132   1HB   TRP 664          2HB       TRP 664   4.643   0.657   0.227
  133   2HB   TRP 664          1HB       TRP 664   4.358   1.186  -1.427
  134    HD1  TRP 664           HD       TRP 664   6.918  -1.546  -0.568
  135    HE1  TRP 664           1HE      TRP 664   6.123  -3.763  -1.610
  136    HE3  TRP 664           3HE      TRP 664   2.310  -0.066  -2.250
  137    HZ2  TRP 664           2HZ      TRP 664   3.858  -4.752  -2.961
  138    HZ3  TRP 664           3HZ      TRP 664   0.898  -1.717  -3.405
  139    HH2  TRP 664           HH       TRP 664   1.655  -4.006  -3.752
  140    H    ASN 665           H        ASN 665   6.823   2.725   1.204
  141    HA   ASN 665           HA       ASN 665   5.911   5.185  -0.115
  142   1HB   ASN 665          2HB       ASN 665   4.679   4.954   1.843
  143   2HB   ASN 665          1HB       ASN 665   6.032   4.271   2.737
  144   1HD2  ASN 665          1HD2      ASN 665   6.657   5.560   4.294
  145   2HD2  ASN 665          2HD2      ASN 665   6.731   7.285   4.233
  146    H    CYS 666           H        CYS 666   8.371   4.316   2.328
  147    HA   CYS 666           HA       CYS 666   9.920   6.599   2.070
  148   1HB   CYS 666          2HB       CYS 666  10.658   3.802   2.912
  149   2HB   CYS 666          1HB       CYS 666  11.803   5.135   2.966
  150    H    GLY 667           H        GLY 667  10.684   3.404   0.610
  151   1HA   GLY 667          2HA       GLY 667  11.327   3.179  -1.677
  152   2HA   GLY 667          1HA       GLY 667  11.844   4.858  -1.663
  153    H    ARG 668           H        ARG 668  12.694   2.820   1.001
  154    HA   ARG 668           HA       ARG 668  15.430   2.570  -0.061
  155   1HB   ARG 668          2HB       ARG 668  14.491   3.512   2.628
  156   2HB   ARG 668          1HB       ARG 668  16.069   2.755   2.459
  157   1HG   ARG 668          2HG       ARG 668  15.658   4.799   0.458
  158   2HG   ARG 668          1HG       ARG 668  15.451   5.434   2.091
  159   1HD   ARG 668          2HD       ARG 668  17.650   5.440   2.399
  160   2HD   ARG 668          1HD       ARG 668  17.733   3.716   2.042
  161    HE   ARG 668           HE       ARG 668  18.426   5.883   0.293
  162   1HH1  ARG 668          1HH1      ARG 668  17.365   2.561   0.429
  163   2HH1  ARG 668          2HH1      ARG 668  18.002   2.163  -1.131
  164   1HH2  ARG 668          1HH2      ARG 668  19.263   5.362  -1.759
  165   2HH2  ARG 668          2HH2      ARG 668  19.079   3.753  -2.374
  166    H    LYS 669           H        LYS 669  13.461   1.417   2.689
  167    HA   LYS 669           HA       LYS 669  13.704  -1.312   1.869
  168   1HB   LYS 669          2HB       LYS 669  15.100  -2.161   3.584
  169   2HB   LYS 669          1HB       LYS 669  15.957  -0.789   2.895
  170   1HG   LYS 669          2HG       LYS 669  16.269  -0.410   5.124
  171   2HG   LYS 669          1HG       LYS 669  14.797   0.522   4.843
  172   1HD   LYS 669          2HD       LYS 669  13.893  -0.648   6.517
  173   2HD   LYS 669          1HD       LYS 669  13.864  -2.021   5.408
  174   1HE   LYS 669          2HE       LYS 669  15.992  -2.788   6.217
  175   2HE   LYS 669          1HE       LYS 669  16.190  -1.339   7.200
  176   1HZ   LYS 669          1HZ       LYS 669  15.449  -2.867   8.726
  177   2HZ   LYS 669          2HZ       LYS 669  14.419  -3.645   7.634
  178   3HZ   LYS 669          3HZ       LYS 669  13.990  -2.139   8.272
  179    H    ALA 670           H        ALA 670  12.467  -2.753   3.162
  180    HA   ALA 670           HA       ALA 670  10.859  -1.572   5.300
  181   1HB   ALA 670          1HB       ALA 670   9.118  -3.150   3.668
  182   2HB   ALA 670          2HB       ALA 670   9.878  -1.901   2.681
  183   3HB   ALA 670          3HB       ALA 670   8.977  -1.454   4.130
  184    H    SER 671           H        SER 671  10.128  -3.026   6.826
  185    HA   SER 671           HA       SER 671  10.996  -5.820   6.462
  186   1HB   SER 671          2HB       SER 671  11.084  -4.090   8.937
  187   2HB   SER 671          1HB       SER 671  11.321  -5.838   8.966
  188    HG   SER 671           HG       SER 671  13.088  -5.522   7.525
  189    H    GLU 672           H        GLU 672   8.321  -3.871   6.798
  190    HA   GLU 672           HA       GLU 672   6.784  -5.987   8.150
  191   1HB   GLU 672          2HB       GLU 672   5.658  -3.256   7.668
  192   2HB   GLU 672          1HB       GLU 672   5.286  -4.405   8.944
  193   1HG   GLU 672          2HG       GLU 672   7.957  -3.060   8.794
  194   2HG   GLU 672          1HG       GLU 672   6.572  -2.280   9.557
  195    H    THR 673           H        THR 673   4.645  -6.447   7.313
  196    HA   THR 673           HA       THR 673   4.333  -5.848   4.455
  197    HB   THR 673           HB       THR 673   4.147  -8.569   5.762
  198    HG1  THR 673           1HG      THR 673   6.152  -8.525   5.160
  199   1HG2  THR 673          1HG2      THR 673   3.650  -7.950   2.862
  200   2HG2  THR 673          2HG2      THR 673   2.367  -8.220   4.041
  201   3HG2  THR 673          3HG2      THR 673   3.515  -9.508   3.678
  202    H    CYS 674           H        CYS 674   2.281  -5.538   3.741
  203    HA   CYS 674           HA       CYS 674   0.266  -4.951   5.659
  204   1HB   CYS 674          2HB       CYS 674   0.379  -3.701   3.589
  205   2HB   CYS 674          1HB       CYS 674   0.172  -5.170   2.642
  206    H    SER 675           H        SER 675  -0.654  -6.553   6.783
  207    HA   SER 675           HA       SER 675  -0.939  -9.209   5.864
  208   1HB   SER 675          2HB       SER 675  -2.157  -9.612   7.914
  209   2HB   SER 675          1HB       SER 675  -0.799  -8.542   8.261
  210    HG   SER 675           HG       SER 675  -3.516  -7.800   7.922
  211    H    GLY 676           H        GLY 676  -2.742  -6.474   5.069
  212   1HA   GLY 676          2HA       GLY 676  -5.322  -7.724   4.880
  213   2HA   GLY 676          1HA       GLY 676  -4.866  -6.167   4.207
  214    H    CYS 677           H        CYS 677  -2.844  -6.794   2.495
  215    HA   CYS 677           HA       CYS 677  -4.193  -8.552   0.561
  216   1HB   CYS 677          2HB       CYS 677  -3.017  -7.244  -1.190
  217   2HB   CYS 677          1HB       CYS 677  -4.107  -6.262  -0.217
  218    H    ASN 678           H        ASN 678  -1.454  -8.256   2.520
  219    HA   ASN 678           HA       ASN 678   0.466  -9.449   2.731
  220   1HB   ASN 678          2HB       ASN 678  -1.419 -11.258   1.405
  221   2HB   ASN 678          1HB       ASN 678   0.267 -11.663   1.100
  222   1HD2  ASN 678          1HD2      ASN 678   0.606 -13.375   2.353
  223   2HD2  ASN 678          2HD2      ASN 678   0.340 -13.431   4.059
  224    H    THR 679           H        THR 679   0.067  -7.506   0.472
  225    HA   THR 679           HA       THR 679   2.259  -8.468  -1.243
  226    HB   THR 679           HB       THR 679  -0.067  -6.693  -1.990
  227    HG1  THR 679           1HG      THR 679  -0.546  -8.455  -3.382
  228   1HG2  THR 679          1HG2      THR 679   2.500  -6.997  -3.259
  229   2HG2  THR 679          2HG2      THR 679   1.167  -5.910  -3.650
  230   3HG2  THR 679          3HG2      THR 679   1.194  -7.547  -4.308
  231    H    ALA 680           H        ALA 680   0.823  -5.697   0.372
  232    HA   ALA 680           HA       ALA 680   2.819  -3.835  -0.454
  233   1HB   ALA 680          1HB       ALA 680   1.594  -2.923   1.921
  234   2HB   ALA 680          2HB       ALA 680   0.360  -3.757   0.977
  235   3HB   ALA 680          3HB       ALA 680   1.268  -2.427   0.261
  236    H    ARG 681           H        ARG 681   4.372  -2.791   0.877
  237    HA   ARG 681           HA       ARG 681   5.202  -4.241   3.285
  238   1HB   ARG 681          2HB       ARG 681   7.014  -3.541   0.965
  239   2HB   ARG 681          1HB       ARG 681   7.566  -4.141   2.524
  240   1HG   ARG 681          2HG       ARG 681   5.588  -5.710   0.928
  241   2HG   ARG 681          1HG       ARG 681   7.309  -5.779   0.540
  242   1HD   ARG 681          2HD       ARG 681   6.382  -6.186   3.354
  243   2HD   ARG 681          1HD       ARG 681   6.286  -7.507   2.190
  244    HE   ARG 681           HE       ARG 681   8.858  -6.175   2.434
  245   1HH1  ARG 681          1HH1      ARG 681   6.857  -8.893   3.339
  246   2HH1  ARG 681          2HH1      ARG 681   8.199  -9.878   3.814
  247   1HH2  ARG 681          1HH2      ARG 681  10.616  -7.473   3.060
  248   2HH2  ARG 681          2HH2      ARG 681  10.331  -9.072   3.658
  249    H    TYR 682           H        TYR 682   6.136  -2.964   4.855
  250    HA   TYR 682           HA       TYR 682   6.905  -0.237   4.248
  251   1HB   TYR 682          2HB       TYR 682   4.559  -0.880   6.042
  252   2HB   TYR 682          1HB       TYR 682   5.378   0.679   6.029
  253    HD1  TYR 682           1HD      TYR 682   2.901  -1.388   4.448
  254    HD2  TYR 682           2HD      TYR 682   5.378   2.025   3.887
  255    HE1  TYR 682           1HE      TYR 682   1.461  -0.655   2.594
  256    HE2  TYR 682           2HE      TYR 682   3.945   2.769   2.033
  257    HH   TYR 682           HH       TYR 682   2.245   1.323   0.327
  258    H    CYS 683           H        CYS 683   8.185   0.714   5.871
  259    HA   CYS 683           HA       CYS 683   9.328  -1.230   7.711
  260   1HB   CYS 683          2HB       CYS 683  11.204   0.254   7.914
  261   2HB   CYS 683          1HB       CYS 683  10.799   0.117   6.208
  262    H    GLY 684           H        GLY 684   7.180   1.461   7.773
  263   1HA   GLY 684          2HA       GLY 684   7.071   1.236  10.683
  264   2HA   GLY 684          1HA       GLY 684   7.448   2.823  10.029
  265    H    SER 685           H        SER 685   5.156   1.921  11.622
  266    HA   SER 685           HA       SER 685   2.815   1.540  10.238
  267   1HB   SER 685          2HB       SER 685   2.659   1.441  12.578
  268   2HB   SER 685          1HB       SER 685   3.409   3.023  12.787
  269    HG   SER 685           HG       SER 685   0.801   2.424  11.868
  270    H    PHE 686           H        PHE 686   4.680   4.487  10.535
  271    HA   PHE 686           HA       PHE 686   2.616   6.211   9.568
  272   1HB   PHE 686          2HB       PHE 686   4.345   7.913   9.417
  273   2HB   PHE 686          1HB       PHE 686   4.494   7.044  10.941
  274    HD1  PHE 686           1HD      PHE 686   6.307   5.358  11.217
  275    HD2  PHE 686           2HD      PHE 686   6.094   7.939   7.839
  276    HE1  PHE 686           1HE      PHE 686   8.673   4.900  10.722
  277    HE2  PHE 686           2HE      PHE 686   8.459   7.485   7.339
  278    HZ   PHE 686           HZ       PHE 686   9.751   5.964   8.781
  279    H    CYS 687           H        CYS 687   5.233   4.381   8.109
  280    HA   CYS 687           HA       CYS 687   5.165   5.561   5.559
  281   1HB   CYS 687          2HB       CYS 687   5.888   2.704   6.225
  282   2HB   CYS 687          1HB       CYS 687   6.386   3.615   4.803
  283    H    GLN 688           H        GLN 688   3.399   2.807   6.905
  284    HA   GLN 688           HA       GLN 688   2.163   2.047   4.487
  285   1HB   GLN 688          2HB       GLN 688   0.709   0.676   5.802
  286   2HB   GLN 688          1HB       GLN 688   2.327   0.588   6.478
  287   1HG   GLN 688          2HG       GLN 688   1.584   1.229   8.455
  288   2HG   GLN 688          1HG       GLN 688   0.871   2.683   7.765
  289   1HE2  GLN 688          1HE2      GLN 688   0.032  -0.644   7.010
  290   2HE2  GLN 688          2HE2      GLN 688  -1.584  -0.561   7.602
  291    H    HIS 689           H        HIS 689   1.250   4.337   7.001
  292    HA   HIS 689           HA       HIS 689  -1.362   4.842   6.005
  293   1HB   HIS 689          2HB       HIS 689   0.432   6.051   8.036
  294   2HB   HIS 689          1HB       HIS 689  -0.838   7.084   7.388
  295    HD1  HIS 689           1HD      HIS 689  -1.592   6.862  10.029
  296    HD2  HIS 689           2HD      HIS 689  -2.136   3.551   7.579
  297    HE1  HIS 689           1HE      HIS 689  -3.264   5.412  11.223
  298    HE2  HIS 689           2HE      HIS 689  -3.508   3.370   9.767
  299    H    LYS 690           H        LYS 690   1.788   6.310   5.457
  300    HA   LYS 690           HA       LYS 690   1.006   8.629   4.129
  301   1HB   LYS 690          2HB       LYS 690   3.362   7.747   4.868
  302   2HB   LYS 690          1HB       LYS 690   3.421   7.100   3.235
  303   1HG   LYS 690          2HG       LYS 690   3.142   9.984   4.043
  304   2HG   LYS 690          1HG       LYS 690   4.525   9.217   3.262
  305   1HD   LYS 690          2HD       LYS 690   1.777   9.585   2.071
  306   2HD   LYS 690          1HD       LYS 690   3.224  10.499   1.652
  307   1HE   LYS 690          2HE       LYS 690   3.778   7.701   1.417
  308   2HE   LYS 690          1HE       LYS 690   2.304   8.080   0.527
  309   1HZ   LYS 690          1HZ       LYS 690   4.265   8.323  -0.859
  310   2HZ   LYS 690          2HZ       LYS 690   4.914   9.461   0.211
  311   3HZ   LYS 690          3HZ       LYS 690   3.500   9.818  -0.647
  312    H    ASP 691           H        ASP 691   1.861   5.470   2.739
  313    HA   ASP 691           HA       ASP 691   0.925   6.292   0.124
  314   1HB   ASP 691          2HB       ASP 691   2.366   3.939   1.237
  315   2HB   ASP 691          1HB       ASP 691   1.423   3.687  -0.230
  316    H    TRP 692           H        TRP 692  -0.489   5.026   2.900
  317    HA   TRP 692           HA       TRP 692  -2.247   3.099   2.153
  318   1HB   TRP 692          2HB       TRP 692  -2.101   3.961   4.435
  319   2HB   TRP 692          1HB       TRP 692  -2.856   5.468   3.930
  320    HD1  TRP 692           HD       TRP 692  -5.128   5.412   5.144
  321    HE1  TRP 692           1HE      TRP 692  -7.115   3.773   5.220
  322    HE3  TRP 692           3HE      TRP 692  -3.072   1.497   2.565
  323    HZ2  TRP 692           2HZ      TRP 692  -7.730   1.180   4.310
  324    HZ3  TRP 692           3HZ      TRP 692  -4.428  -0.521   2.213
  325    HH2  TRP 692           HH       TRP 692  -6.709  -0.675   3.068
  326    H    GLU 693           H        GLU 693  -2.704   6.597   1.635
  327    HA   GLU 693           HA       GLU 693  -5.265   6.562   0.625
  328   1HB   GLU 693          2HB       GLU 693  -4.902   8.736   0.263
  329   2HB   GLU 693          1HB       GLU 693  -3.299   8.461   0.928
  330   1HG   GLU 693          2HG       GLU 693  -2.460   8.062  -1.361
  331   2HG   GLU 693          1HG       GLU 693  -4.066   8.445  -1.984
  332    H    LYS 694           H        LYS 694  -2.234   5.902  -1.073
  333    HA   LYS 694           HA       LYS 694  -3.623   5.488  -3.580
  334   1HB   LYS 694          2HB       LYS 694  -0.727   5.326  -2.770
  335   2HB   LYS 694          1HB       LYS 694  -1.285   4.861  -4.371
  336   1HG   LYS 694          2HG       LYS 694  -1.993   7.065  -4.865
  337   2HG   LYS 694          1HG       LYS 694  -1.798   7.575  -3.186
  338   1HD   LYS 694          2HD       LYS 694   0.430   6.707  -5.029
  339   2HD   LYS 694          1HD       LYS 694   0.039   8.375  -4.606
  340   1HE   LYS 694          2HE       LYS 694   0.388   7.695  -2.190
  341   2HE   LYS 694          1HE       LYS 694   1.077   6.196  -2.810
  342   1HZ   LYS 694          1HZ       LYS 694   2.125   8.937  -3.006
  343   2HZ   LYS 694          2HZ       LYS 694   2.551   7.799  -4.183
  344   3HZ   LYS 694          3HZ       LYS 694   2.924   7.513  -2.557
  345    H    HIS 695           H        HIS 695  -1.725   3.542  -1.290
  346    HA   HIS 695           HA       HIS 695  -1.888   1.115  -2.634
  347   1HB   HIS 695          2HB       HIS 695  -0.346   1.477  -0.790
  348   2HB   HIS 695          1HB       HIS 695  -1.691   1.617   0.337
  349    HD1  HIS 695           1HD      HIS 695  -0.567  -1.037  -2.183
  350    HD2  HIS 695           2HD      HIS 695  -2.034  -0.659   1.685
  351    HE1  HIS 695           1HE      HIS 695  -0.741  -3.383  -1.260
  352    H    HIS 696           H        HIS 696  -4.140   2.487  -0.241
  353    HA   HIS 696           HA       HIS 696  -5.688   0.242   0.162
  354   1HB   HIS 696          2HB       HIS 696  -7.387   1.630   1.048
  355   2HB   HIS 696          1HB       HIS 696  -5.848   2.370   1.455
  356    HD1  HIS 696           1HD      HIS 696  -8.279   2.762  -1.472
  357    HD2  HIS 696           2HD      HIS 696  -6.070   5.008   1.230
  358    HE1  HIS 696           1HE      HIS 696  -8.803   5.165  -2.000
  359    HE2  HIS 696           2HE      HIS 696  -7.535   6.499  -0.288
  360    H    HIS 697           H        HIS 697  -5.662   2.323  -2.666
  361    HA   HIS 697           HA       HIS 697  -8.192   1.597  -3.696
  362   1HB   HIS 697          2HB       HIS 697  -5.691   2.179  -5.298
  363   2HB   HIS 697          1HB       HIS 697  -7.352   2.304  -5.854
  364    HD1  HIS 697           1HD      HIS 697  -8.731   4.124  -4.055
  365    HD2  HIS 697           2HD      HIS 697  -4.702   4.630  -4.925
  366    HE1  HIS 697           1HE      HIS 697  -8.240   6.547  -3.588
  367    HE2  HIS 697           2HE      HIS 697  -5.774   6.805  -4.028
  368    H    ILE 698           H        ILE 698  -5.065   0.033  -3.618
  369    HA   ILE 698           HA       ILE 698  -5.900  -2.071  -5.441
  370    HB   ILE 698           HB       ILE 698  -3.334  -2.156  -3.904
  371   1HG1  ILE 698          2HG1      ILE 698  -3.589  -0.626  -6.491
  372   2HG1  ILE 698          1HG1      ILE 698  -3.706   0.173  -4.928
  373   1HG2  ILE 698          1HG2      ILE 698  -2.546  -3.434  -5.692
  374   2HG2  ILE 698          2HG2      ILE 698  -3.813  -2.864  -6.777
  375   3HG2  ILE 698          3HG2      ILE 698  -4.208  -3.977  -5.468
  376   1HD1  ILE 698          1HD1      ILE 698  -1.348  -1.462  -5.826
  377   2HD1  ILE 698          2HD1      ILE 698  -1.471  -0.486  -4.361
  378   3HD1  ILE 698          3HD1      ILE 698  -1.461   0.295  -5.943
  379    H    CYS 699           H        CYS 699  -4.667  -1.880  -2.106
  380    HA   CYS 699           HA       CYS 699  -4.728  -4.386  -1.205
  381   1HB   CYS 699          2HB       CYS 699  -4.421  -2.151   0.073
  382   2HB   CYS 699          1HB       CYS 699  -6.136  -2.304   0.435
  383    H    GLY 700           H        GLY 700  -6.205  -5.766  -0.104
  384   1HA   GLY 700          2HA       GLY 700  -8.180  -6.895   0.164
  385   2HA   GLY 700          1HA       GLY 700  -9.003  -5.362  -0.082
  386    H    GLN 701           H        GLN 701  -6.845  -6.907  -2.394
  387    HA   GLN 701           HA       GLN 701  -8.985  -8.004  -3.964
  388   1HB   GLN 701          2HB       GLN 701  -7.644  -5.438  -4.759
  389   2HB   GLN 701          1HB       GLN 701  -8.249  -6.543  -5.984
  390   1HG   GLN 701          2HG       GLN 701 -10.475  -6.431  -4.775
  391   2HG   GLN 701          1HG       GLN 701  -9.799  -5.069  -3.884
  392   1HE2  GLN 701          1HE2      GLN 701 -12.060  -4.919  -5.536
  393   2HE2  GLN 701          2HE2      GLN 701 -11.691  -3.881  -6.868
  394    H    THR 702           H        THR 702  -7.698  -9.874  -3.689
  395    HA   THR 702           HA       THR 702  -4.992 -10.093  -4.374
  396    HB   THR 702           HB       THR 702  -5.667 -12.576  -4.767
  397    HG1  THR 702           1HG      THR 702  -7.942 -11.935  -5.021
  398   1HG2  THR 702          1HG2      THR 702  -4.685 -11.636  -2.657
  399   2HG2  THR 702          2HG2      THR 702  -5.710 -13.058  -2.461
  400   3HG2  THR 702          3HG2      THR 702  -6.337 -11.457  -2.065
  401    H    LEU 703           H        LEU 703  -3.966 -10.945  -6.229
  402    HA   LEU 703           HA       LEU 703  -5.407 -10.347  -8.708
  403   1HB   LEU 703          2HB       LEU 703  -2.461 -10.894  -8.446
  404   2HB   LEU 703          1HB       LEU 703  -3.298 -10.075  -9.751
  405    HG   LEU 703           HG       LEU 703  -3.910  -8.423  -7.702
  406   1HD1  LEU 703          1HD1      LEU 703  -2.187 -10.062  -6.438
  407   2HD1  LEU 703          2HD1      LEU 703  -2.410  -8.362  -6.027
  408   3HD1  LEU 703          3HD1      LEU 703  -1.069  -8.850  -7.063
  409   1HD2  LEU 703          1HD2      LEU 703  -1.542  -8.443  -9.552
  410   2HD2  LEU 703          2HD2      LEU 703  -1.899  -7.080  -8.491
  411   3HD2  LEU 703          3HD2      LEU 703  -3.064  -7.568  -9.723
  412    H    GLN 704           H        GLN 704  -5.689 -11.820 -10.327
  413    HA   GLN 704           HA       GLN 704  -5.946 -13.850 -11.319
  414   1HB   GLN 704          2HB       GLN 704  -3.451 -14.640  -9.810
  415   2HB   GLN 704          1HB       GLN 704  -4.089 -15.394 -11.264
  416   1HG   GLN 704          2HG       GLN 704  -2.842 -14.044 -12.485
  417   2HG   GLN 704          1HG       GLN 704  -3.742 -12.666 -11.856
  418   1HE2  GLN 704          1HE2      GLN 704  -1.093 -14.853 -10.987
  419   2HE2  GLN 704          2HE2      GLN 704  -0.125 -13.651 -10.210
  420    H    ALA 705           H        ALA 705  -6.171 -16.277 -10.832
  421    HA   ALA 705           HA       ALA 705  -6.989 -16.730  -8.049
  422   1HB   ALA 705          1HB       ALA 705  -8.700 -16.856 -10.474
  423   2HB   ALA 705          2HB       ALA 705  -9.094 -16.340  -8.834
  424   3HB   ALA 705          3HB       ALA 705  -8.960 -18.058  -9.210
  425    H    GLN 706           H        GLN 706  -6.525 -18.237 -11.239
  426    HA   GLN 706           HA       GLN 706  -4.953 -20.343 -10.028
  427   1HB   GLN 706          2HB       GLN 706  -7.699 -20.775 -11.086
  428   2HB   GLN 706          1HB       GLN 706  -6.486 -21.988 -11.476
  429   1HG   GLN 706          2HG       GLN 706  -6.592 -22.865  -9.445
  430   2HG   GLN 706          1HG       GLN 706  -6.394 -21.289  -8.681
  431   1HE2  GLN 706          1HE2      GLN 706  -7.903 -21.377  -7.127
  432   2HE2  GLN 706          2HE2      GLN 706  -9.593 -21.597  -7.407
  433    H    GLN 707           H        GLN 707  -3.454 -19.075 -11.380
  434    HA   GLN 707           HA       GLN 707  -2.138 -18.838 -13.220
  435   1HB   GLN 707          2HB       GLN 707  -3.354 -21.514 -13.518
  436   2HB   GLN 707          1HB       GLN 707  -2.682 -20.824 -14.989
  437   1HG   GLN 707          2HG       GLN 707  -0.527 -20.580 -13.945
  438   2HG   GLN 707          1HG       GLN 707  -1.178 -21.123 -12.399
  439   1HE2  GLN 707          1HE2      GLN 707  -0.401 -23.057 -11.973
  440   2HE2  GLN 707          2HE2      GLN 707  -0.284 -24.376 -13.082
  Start of MODEL    6
    1    H    THR1101           H        THR1101  -9.647  12.534   5.210
    2    HA   THR1101           HA       THR1101  -7.941  11.330   6.152
    3    HB   THR1101           HB       THR1101  -9.866  10.767   8.420
    4    HG1  THR1101           1HG      THR1101  -9.159  12.697   8.934
    5   1HG2  THR1101          1HG2      THR1101  -7.790   9.931   9.563
    6   2HG2  THR1101          2HG2      THR1101  -7.028   9.905   7.972
    7   3HG2  THR1101          3HG2      THR1101  -8.440   8.898   8.290
    8    H    ILE1102           H        ILE1102  -7.622   9.041   5.936
    9    HA   ILE1102           HA       ILE1102  -9.812   7.766   4.482
   10    HB   ILE1102           HB       ILE1102  -6.992   6.740   4.782
   11   1HG1  ILE1102          2HG1      ILE1102  -7.751   8.039   2.247
   12   2HG1  ILE1102          1HG1      ILE1102  -7.594   9.136   3.615
   13   1HG2  ILE1102          1HG2      ILE1102  -8.381   5.018   4.010
   14   2HG2  ILE1102          2HG2      ILE1102  -7.618   5.668   2.558
   15   3HG2  ILE1102          3HG2      ILE1102  -9.282   6.103   2.951
   16   1HD1  ILE1102          1HD1      ILE1102  -5.428   7.164   3.154
   17   2HD1  ILE1102          2HD1      ILE1102  -5.352   8.803   3.798
   18   3HD1  ILE1102          3HD1      ILE1102  -5.554   8.544   2.065
   19    H    SER1103           H        SER1103 -10.251   5.464   4.837
   20    HA   SER1103           HA       SER1103 -10.900   4.884   7.482
   21   1HB   SER1103          2HB       SER1103 -11.833   3.838   5.332
   22   2HB   SER1103          1HB       SER1103 -10.443   2.754   5.397
   23    HG   SER1103           HG       SER1103 -12.195   3.099   7.590
   24    H    ASN1104           H        ASN1104 -10.114   3.102   8.831
   25    HA   ASN1104           HA       ASN1104  -7.274   3.245   9.141
   26   1HB   ASN1104          2HB       ASN1104  -9.523   1.966  10.628
   27   2HB   ASN1104          1HB       ASN1104  -7.883   1.407  10.941
   28   1HD2  ASN1104          1HD2      ASN1104  -9.612   4.480  10.526
   29   2HD2  ASN1104          2HD2      ASN1104  -8.854   5.279  11.857
   30    HA   PRO1105           HA       PRO1105  -6.591  -0.229   6.340
   31   1HB   PRO1105          2HB       PRO1105  -3.869  -0.249   6.633
   32   2HB   PRO1105          1HB       PRO1105  -4.731   0.827   5.530
   33   1HG   PRO1105          2HG       PRO1105  -3.652   1.382   8.261
   34   2HG   PRO1105          1HG       PRO1105  -3.617   2.405   6.813
   35   1HD   PRO1105          2HD       PRO1105  -5.386   2.802   8.809
   36   2HD   PRO1105          1HD       PRO1105  -5.793   3.118   7.110
   37    HA   PRO1106           HA       PRO1106  -5.937  -3.669   9.027
   38   1HB   PRO1106          2HB       PRO1106  -4.513  -5.408   7.539
   39   2HB   PRO1106          1HB       PRO1106  -6.190  -5.000   7.160
   40   1HG   PRO1106          2HG       PRO1106  -3.665  -3.962   5.932
   41   2HG   PRO1106          1HG       PRO1106  -5.173  -4.455   5.141
   42   1HD   PRO1106          2HD       PRO1106  -4.526  -1.856   5.635
   43   2HD   PRO1106          1HD       PRO1106  -6.198  -2.446   5.563
   44    HA   PRO1107           HA       PRO1107  -2.055  -3.577  11.132
   45   1HB   PRO1107          2HB       PRO1107  -1.686  -6.138  11.933
   46   2HB   PRO1107          1HB       PRO1107  -2.923  -5.089  12.635
   47   1HG   PRO1107          2HG       PRO1107  -3.203  -7.202  10.533
   48   2HG   PRO1107          1HG       PRO1107  -4.247  -6.866  11.927
   49   1HD   PRO1107          2HD       PRO1107  -4.848  -6.040   9.415
   50   2HD   PRO1107          1HD       PRO1107  -5.322  -5.128  10.862
   51    H    LEU1108           H        LEU1108   0.175  -4.099  11.026
   52    HA   LEU1108           HA       LEU1108   0.981  -5.146   8.417
   53   1HB   LEU1108          2HB       LEU1108   2.346  -3.451  10.486
   54   2HB   LEU1108          1HB       LEU1108   3.256  -4.219   9.199
   55    HG   LEU1108           HG       LEU1108   0.957  -2.324   8.720
   56   1HD1  LEU1108          1HD1      LEU1108   2.421  -0.811   9.546
   57   2HD1  LEU1108          2HD1      LEU1108   3.099  -0.940   7.923
   58   3HD1  LEU1108          3HD1      LEU1108   3.824  -1.841   9.254
   59   1HD2  LEU1108          1HD2      LEU1108   1.990  -4.144   7.018
   60   2HD2  LEU1108          2HD2      LEU1108   3.057  -2.775   6.707
   61   3HD2  LEU1108          3HD2      LEU1108   1.313  -2.596   6.513
   62    H    ILE1109           H        ILE1109   2.485  -6.795   8.164
   63    HA   ILE1109           HA       ILE1109   2.984  -8.410  10.579
   64    HB   ILE1109           HB       ILE1109   3.305 -10.253   8.674
   65   1HG1  ILE1109          2HG1      ILE1109   1.096  -8.535   7.542
   66   2HG1  ILE1109          1HG1      ILE1109   2.733  -8.558   6.898
   67   1HG2  ILE1109          1HG2      ILE1109   0.483  -9.646   9.410
   68   2HG2  ILE1109          2HG2      ILE1109   1.647  -9.984  10.690
   69   3HG2  ILE1109          3HG2      ILE1109   1.349 -11.183   9.432
   70   1HD1  ILE1109          1HD1      ILE1109   0.791 -10.075   5.926
   71   2HD1  ILE1109          2HD1      ILE1109   1.368 -11.161   7.192
   72   3HD1  ILE1109          3HD1      ILE1109   2.477 -10.591   5.945
   73    H    SER1110           H        SER1110   5.041  -8.612  11.158
   74    HA   SER1110           HA       SER1110   7.137  -7.676   9.400
   75   1HB   SER1110          2HB       SER1110   8.616  -8.052  11.348
   76   2HB   SER1110          1HB       SER1110   7.215  -7.065  11.763
   77    HG   SER1110           HG       SER1110   6.322  -8.765  12.821
   78    H    SER1111           H        SER1111   8.426  -8.894   8.185
   79    HA   SER1111           HA       SER1111   8.463 -11.801   8.674
   80   1HB   SER1111          2HB       SER1111   8.715 -12.092   6.214
   81   2HB   SER1111          1HB       SER1111   7.178 -11.350   6.661
   82    HG   SER1111           HG       SER1111   9.448  -9.828   5.929
   83    H    ALA1112           H        ALA1112  10.401 -12.474   9.286
   84    HA   ALA1112           HA       ALA1112  12.772 -11.671   7.862
   85   1HB   ALA1112          1HB       ALA1112  13.828 -10.398   9.410
   86   2HB   ALA1112          2HB       ALA1112  13.062 -11.219  10.770
   87   3HB   ALA1112          3HB       ALA1112  12.171  -9.999   9.861
   88    H    LYS1113           H        LYS1113  12.164 -14.075   7.618
   89    HA   LYS1113           HA       LYS1113  13.279 -15.661   9.825
   90   1HB   LYS1113          2HB       LYS1113  11.583 -16.479   7.461
   91   2HB   LYS1113          1HB       LYS1113  12.246 -17.602   8.640
   92   1HG   LYS1113          2HG       LYS1113  11.008 -16.133  10.375
   93   2HG   LYS1113          1HG       LYS1113  10.090 -15.564   8.979
   94   1HD   LYS1113          2HD       LYS1113  10.429 -18.495   9.295
   95   2HD   LYS1113          1HD       LYS1113   9.338 -17.675  10.414
   96   1HE   LYS1113          2HE       LYS1113   9.184 -17.379   7.421
   97   2HE   LYS1113          1HE       LYS1113   8.268 -18.584   8.325
   98   1HZ   LYS1113          1HZ       LYS1113   7.200 -16.815   9.559
   99   2HZ   LYS1113          2HZ       LYS1113   6.969 -16.583   7.899
  100   3HZ   LYS1113          3HZ       LYS1113   8.104 -15.646   8.733
  101    H    ASP 658           H        ASP 658   9.242 -13.271   0.849
  102    HA   ASP 658           HA       ASP 658   8.711 -12.691  -1.987
  103   1HB   ASP 658          2HB       ASP 658   8.257 -11.172   0.361
  104   2HB   ASP 658          1HB       ASP 658   9.546 -10.364  -0.526
  105    H    SER 659           H        SER 659  10.336 -11.877  -3.304
  106    HA   SER 659           HA       SER 659  13.062 -12.302  -2.283
  107   1HB   SER 659          2HB       SER 659  11.885 -12.524  -5.052
  108   2HB   SER 659          1HB       SER 659  13.625 -12.442  -4.780
  109    HG   SER 659           HG       SER 659  13.606 -14.406  -3.966
  110    H    SER 660           H        SER 660  11.536  -9.858  -1.895
  111    HA   SER 660           HA       SER 660  13.520  -7.998  -2.833
  112   1HB   SER 660          2HB       SER 660  11.422  -6.536  -3.686
  113   2HB   SER 660          1HB       SER 660  12.368  -7.570  -4.755
  114    HG   SER 660           HG       SER 660  10.558  -8.558  -5.114
  115    H    GLU 661           H        GLU 661  13.731  -6.306  -1.466
  116    HA   GLU 661           HA       GLU 661  11.600  -5.871   0.518
  117   1HB   GLU 661          2HB       GLU 661  14.491  -6.431   0.935
  118   2HB   GLU 661          1HB       GLU 661  13.741  -5.243   1.993
  119   1HG   GLU 661          2HG       GLU 661  12.247  -6.811   2.880
  120   2HG   GLU 661          1HG       GLU 661  12.548  -7.962   1.578
  121    H    SER 662           H        SER 662  10.847  -3.871   0.359
  122    HA   SER 662           HA       SER 662  12.501  -1.585   0.456
  123   1HB   SER 662          2HB       SER 662  11.441  -0.826  -1.914
  124   2HB   SER 662          1HB       SER 662  13.047  -1.532  -1.746
  125    HG   SER 662           HG       SER 662  12.022  -2.708  -3.297
  126    H    CYS 663           H        CYS 663  11.373   0.031   1.326
  127    HA   CYS 663           HA       CYS 663   8.665  -0.292   2.035
  128   1HB   CYS 663          2HB       CYS 663  10.541   1.113   3.143
  129   2HB   CYS 663          1HB       CYS 663  10.062   2.361   2.003
  130    H    TRP 664           H        TRP 664   6.863   0.141   0.948
  131    HA   TRP 664           HA       TRP 664   6.861   1.038  -1.712
  132   1HB   TRP 664          2HB       TRP 664   4.668   0.720   0.329
  133   2HB   TRP 664          1HB       TRP 664   4.343   1.280  -1.308
  134    HD1  TRP 664           HD       TRP 664   6.875  -1.508  -0.557
  135    HE1  TRP 664           1HE      TRP 664   6.022  -3.691  -1.616
  136    HE3  TRP 664           3HE      TRP 664   2.268   0.086  -2.104
  137    HZ2  TRP 664           2HZ      TRP 664   3.701  -4.616  -2.940
  138    HZ3  TRP 664           3HZ      TRP 664   0.795  -1.511  -3.256
  139    HH2  TRP 664           HH       TRP 664   1.493  -3.809  -3.664
  140    H    ASN 665           H        ASN 665   6.860   2.784   1.252
  141    HA   ASN 665           HA       ASN 665   5.985   5.251  -0.083
  142   1HB   ASN 665          2HB       ASN 665   4.744   5.040   1.875
  143   2HB   ASN 665          1HB       ASN 665   6.094   4.365   2.779
  144   1HD2  ASN 665          1HD2      ASN 665   6.807   5.670   4.285
  145   2HD2  ASN 665          2HD2      ASN 665   6.858   7.395   4.210
  146    H    CYS 666           H        CYS 666   8.430   4.342   2.363
  147    HA   CYS 666           HA       CYS 666  10.010   6.603   2.130
  148   1HB   CYS 666          2HB       CYS 666  10.681   3.786   2.946
  149   2HB   CYS 666          1HB       CYS 666  11.887   5.065   2.962
  150    H    GLY 667           H        GLY 667  10.753   3.423   0.632
  151   1HA   GLY 667          2HA       GLY 667  11.373   3.227  -1.669
  152   2HA   GLY 667          1HA       GLY 667  11.919   4.896  -1.628
  153    H    ARG 668           H        ARG 668  12.733   2.782   0.993
  154    HA   ARG 668           HA       ARG 668  15.457   2.491  -0.083
  155   1HB   ARG 668          2HB       ARG 668  14.865   4.199   1.929
  156   2HB   ARG 668          1HB       ARG 668  15.173   2.734   2.851
  157   1HG   ARG 668          2HG       ARG 668  17.301   2.725   1.188
  158   2HG   ARG 668          1HG       ARG 668  17.026   4.460   1.364
  159   1HD   ARG 668          2HD       ARG 668  17.721   4.472   3.495
  160   2HD   ARG 668          1HD       ARG 668  16.869   2.976   3.878
  161    HE   ARG 668           HE       ARG 668  19.622   3.246   3.281
  162   1HH1  ARG 668          1HH1      ARG 668  16.903   1.119   2.769
  163   2HH1  ARG 668          2HH1      ARG 668  17.883  -0.301   2.611
  164   1HH2  ARG 668          1HH2      ARG 668  20.912   1.381   3.073
  165   2HH2  ARG 668          2HH2      ARG 668  20.159  -0.152   2.784
  166    H    LYS 669           H        LYS 669  13.516   1.390   2.710
  167    HA   LYS 669           HA       LYS 669  13.703  -1.349   1.884
  168   1HB   LYS 669          2HB       LYS 669  15.089  -2.211   3.594
  169   2HB   LYS 669          1HB       LYS 669  15.959  -0.838   2.924
  170   1HG   LYS 669          2HG       LYS 669  16.257  -0.479   5.159
  171   2HG   LYS 669          1HG       LYS 669  14.790   0.461   4.877
  172   1HD   LYS 669          2HD       LYS 669  13.824  -2.064   5.409
  173   2HD   LYS 669          1HD       LYS 669  15.202  -1.923   6.503
  174   1HE   LYS 669          2HE       LYS 669  13.997   0.511   6.791
  175   2HE   LYS 669          1HE       LYS 669  12.613  -0.552   6.542
  176   1HZ   LYS 669          1HZ       LYS 669  12.992  -0.527   8.839
  177   2HZ   LYS 669          2HZ       LYS 669  14.666  -0.697   8.668
  178   3HZ   LYS 669          3HZ       LYS 669  13.644  -1.999   8.318
  179    H    ALA 670           H        ALA 670  12.439  -2.767   3.160
  180    HA   ALA 670           HA       ALA 670  10.837  -1.578   5.299
  181   1HB   ALA 670          1HB       ALA 670   9.826  -2.392   2.645
  182   2HB   ALA 670          2HB       ALA 670   9.224  -1.170   3.764
  183   3HB   ALA 670          3HB       ALA 670   8.860  -2.874   4.039
  184    H    SER 671           H        SER 671  10.079  -3.042   6.811
  185    HA   SER 671           HA       SER 671  10.928  -5.837   6.417
  186   1HB   SER 671          2HB       SER 671  10.751  -4.581   9.137
  187   2HB   SER 671          1HB       SER 671  11.703  -5.970   8.613
  188    HG   SER 671           HG       SER 671  12.151  -3.259   7.895
  189    H    GLU 672           H        GLU 672   8.253  -3.885   6.774
  190    HA   GLU 672           HA       GLU 672   6.717  -6.023   8.094
  191   1HB   GLU 672          2HB       GLU 672   5.601  -3.277   7.659
  192   2HB   GLU 672          1HB       GLU 672   5.203  -4.457   8.899
  193   1HG   GLU 672          2HG       GLU 672   7.907  -3.188   8.843
  194   2HG   GLU 672          1HG       GLU 672   6.529  -2.332   9.532
  195    H    THR 673           H        THR 673   4.568  -6.461   7.260
  196    HA   THR 673           HA       THR 673   4.249  -5.823   4.411
  197    HB   THR 673           HB       THR 673   4.051  -8.569   5.668
  198    HG1  THR 673           1HG      THR 673   6.161  -7.755   5.084
  199   1HG2  THR 673          1HG2      THR 673   3.499  -7.771   2.816
  200   2HG2  THR 673          2HG2      THR 673   2.306  -8.335   3.986
  201   3HG2  THR 673          3HG2      THR 673   3.585  -9.419   3.437
  202    H    CYS 674           H        CYS 674   2.190  -5.511   3.708
  203    HA   CYS 674           HA       CYS 674   0.182  -4.954   5.638
  204   1HB   CYS 674          2HB       CYS 674   0.307  -3.715   3.540
  205   2HB   CYS 674          1HB       CYS 674   0.019  -5.189   2.624
  206    H    SER 675           H        SER 675  -0.709  -6.575   6.764
  207    HA   SER 675           HA       SER 675  -0.990  -9.223   5.817
  208   1HB   SER 675          2HB       SER 675  -2.152  -9.666   7.889
  209   2HB   SER 675          1HB       SER 675  -0.799  -8.584   8.219
  210    HG   SER 675           HG       SER 675  -2.153  -7.074   8.792
  211    H    GLY 676           H        GLY 676  -2.827  -6.499   5.088
  212   1HA   GLY 676          2HA       GLY 676  -5.393  -7.805   4.925
  213   2HA   GLY 676          1HA       GLY 676  -4.996  -6.204   4.320
  214    H    CYS 677           H        CYS 677  -2.929  -6.782   2.582
  215    HA   CYS 677           HA       CYS 677  -4.313  -8.399   0.549
  216   1HB   CYS 677          2HB       CYS 677  -3.058  -7.013  -1.108
  217   2HB   CYS 677          1HB       CYS 677  -4.195  -6.096  -0.124
  218    H    ASN 678           H        ASN 678  -1.535  -8.195   2.497
  219    HA   ASN 678           HA       ASN 678   0.365  -9.427   2.652
  220   1HB   ASN 678          2HB       ASN 678  -1.480 -11.177   1.120
  221   2HB   ASN 678          1HB       ASN 678   0.225 -11.618   1.106
  222   1HD2  ASN 678          1HD2      ASN 678   1.112 -12.531   2.868
  223   2HD2  ASN 678          2HD2      ASN 678   0.255 -12.864   4.331
  224    H    THR 679           H        THR 679  -0.052  -7.418   0.435
  225    HA   THR 679           HA       THR 679   2.120  -8.357  -1.320
  226    HB   THR 679           HB       THR 679  -0.209  -6.558  -1.992
  227    HG1  THR 679           1HG      THR 679   0.504  -9.189  -2.735
  228   1HG2  THR 679          1HG2      THR 679   2.350  -6.781  -3.282
  229   2HG2  THR 679          2HG2      THR 679   0.996  -5.709  -3.639
  230   3HG2  THR 679          3HG2      THR 679   1.052  -7.324  -4.347
  231    H    ALA 680           H        ALA 680   0.726  -5.614   0.375
  232    HA   ALA 680           HA       ALA 680   2.728  -3.749  -0.427
  233   1HB   ALA 680          1HB       ALA 680   0.295  -3.706   1.077
  234   2HB   ALA 680          2HB       ALA 680   1.151  -2.375   0.298
  235   3HB   ALA 680          3HB       ALA 680   1.557  -2.837   1.951
  236    H    ARG 681           H        ARG 681   4.301  -2.745   0.896
  237    HA   ARG 681           HA       ARG 681   5.140  -4.223   3.284
  238   1HB   ARG 681          2HB       ARG 681   6.938  -3.510   0.958
  239   2HB   ARG 681          1HB       ARG 681   7.499  -4.131   2.505
  240   1HG   ARG 681          2HG       ARG 681   5.483  -5.692   0.966
  241   2HG   ARG 681          1HG       ARG 681   7.173  -5.722   0.460
  242   1HD   ARG 681          2HD       ARG 681   6.587  -6.139   3.338
  243   2HD   ARG 681          1HD       ARG 681   6.182  -7.445   2.226
  244    HE   ARG 681           HE       ARG 681   8.856  -6.392   1.939
  245   1HH1  ARG 681          1HH1      ARG 681   6.833  -8.769   3.504
  246   2HH1  ARG 681          2HH1      ARG 681   8.145  -9.849   3.835
  247   1HH2  ARG 681          1HH2      ARG 681  10.581  -7.812   2.376
  248   2HH2  ARG 681          2HH2      ARG 681  10.272  -9.306   3.196
  249    H    TYR 682           H        TYR 682   6.075  -2.955   4.861
  250    HA   TYR 682           HA       TYR 682   6.880  -0.240   4.265
  251   1HB   TYR 682          2HB       TYR 682   4.503  -0.844   6.031
  252   2HB   TYR 682          1HB       TYR 682   5.351   0.700   6.034
  253    HD1  TYR 682           1HD      TYR 682   2.870  -1.328   4.400
  254    HD2  TYR 682           2HD      TYR 682   5.395   2.062   3.907
  255    HE1  TYR 682           1HE      TYR 682   1.472  -0.567   2.525
  256    HE2  TYR 682           2HE      TYR 682   4.002   2.833   2.032
  257    HH   TYR 682           HH       TYR 682   2.238   1.280   0.290
  258    H    CYS 683           H        CYS 683   8.153   0.699   5.906
  259    HA   CYS 683           HA       CYS 683   9.264  -1.265   7.746
  260   1HB   CYS 683          2HB       CYS 683  11.142   0.203   7.982
  261   2HB   CYS 683          1HB       CYS 683  10.749   0.111   6.269
  262    H    GLY 684           H        GLY 684   7.126   1.430   7.803
  263   1HA   GLY 684          2HA       GLY 684   6.922   1.161  10.699
  264   2HA   GLY 684          1HA       GLY 684   7.379   2.748  10.103
  265    H    SER 685           H        SER 685   5.017   1.987  11.602
  266    HA   SER 685           HA       SER 685   2.705   1.705  10.118
  267   1HB   SER 685          2HB       SER 685   2.398   1.545  12.420
  268   2HB   SER 685          1HB       SER 685   3.292   3.029  12.745
  269    HG   SER 685           HG       SER 685   1.560   4.217  12.028
  270    H    PHE 686           H        PHE 686   4.788   4.453  10.315
  271    HA   PHE 686           HA       PHE 686   2.839   6.386   9.478
  272   1HB   PHE 686          2HB       PHE 686   4.748   7.179  10.712
  273   2HB   PHE 686          1HB       PHE 686   5.863   6.437   9.570
  274    HD1  PHE 686           1HD      PHE 686   6.187   7.412   7.342
  275    HD2  PHE 686           2HD      PHE 686   3.739   9.295  10.270
  276    HE1  PHE 686           1HE      PHE 686   6.275   9.510   6.060
  277    HE2  PHE 686           2HE      PHE 686   3.822  11.396   8.993
  278    HZ   PHE 686           HZ       PHE 686   5.090  11.506   6.885
  279    H    CYS 687           H        CYS 687   5.344   4.454   7.920
  280    HA   CYS 687           HA       CYS 687   5.151   5.574   5.353
  281   1HB   CYS 687          2HB       CYS 687   5.895   2.717   5.977
  282   2HB   CYS 687          1HB       CYS 687   6.413   3.688   4.601
  283    H    GLN 688           H        GLN 688   3.510   2.774   6.786
  284    HA   GLN 688           HA       GLN 688   2.151   1.976   4.459
  285   1HB   GLN 688          2HB       GLN 688   0.545   0.880   6.070
  286   2HB   GLN 688          1HB       GLN 688   2.231   0.411   6.216
  287   1HG   GLN 688          2HG       GLN 688   2.004   0.811   8.385
  288   2HG   GLN 688          1HG       GLN 688   2.028   2.519   7.959
  289   1HE2  GLN 688          1HE2      GLN 688  -0.485   0.118   7.367
  290   2HE2  GLN 688          2HE2      GLN 688  -1.706   0.917   8.282
  291    H    HIS 689           H        HIS 689   1.250   4.223   7.036
  292    HA   HIS 689           HA       HIS 689  -1.350   4.757   6.035
  293   1HB   HIS 689          2HB       HIS 689   0.405   5.841   8.141
  294   2HB   HIS 689          1HB       HIS 689  -0.755   6.987   7.474
  295    HD1  HIS 689           1HD      HIS 689  -1.821   6.856   9.940
  296    HD2  HIS 689           2HD      HIS 689  -2.136   3.433   7.608
  297    HE1  HIS 689           1HE      HIS 689  -3.607   5.465  11.033
  298    HE2  HIS 689           2HE      HIS 689  -3.691   3.342   9.677
  299    H    LYS 690           H        LYS 690   1.802   6.233   5.524
  300    HA   LYS 690           HA       LYS 690   1.027   8.582   4.246
  301   1HB   LYS 690          2HB       LYS 690   3.378   7.682   4.968
  302   2HB   LYS 690          1HB       LYS 690   3.438   7.058   3.327
  303   1HG   LYS 690          2HG       LYS 690   3.167   9.932   4.174
  304   2HG   LYS 690          1HG       LYS 690   4.552   9.170   3.390
  305   1HD   LYS 690          2HD       LYS 690   1.812   9.571   2.189
  306   2HD   LYS 690          1HD       LYS 690   3.270  10.476   1.788
  307   1HE   LYS 690          2HE       LYS 690   3.793   7.672   1.524
  308   2HE   LYS 690          1HE       LYS 690   2.332   8.082   0.628
  309   1HZ   LYS 690          1HZ       LYS 690   4.564   9.906   0.296
  310   2HZ   LYS 690          2HZ       LYS 690   3.479   9.301  -0.852
  311   3HZ   LYS 690          3HZ       LYS 690   4.789   8.357  -0.349
  312    H    ASP 691           H        ASP 691   1.872   5.450   2.779
  313    HA   ASP 691           HA       ASP 691   0.936   6.341   0.185
  314   1HB   ASP 691          2HB       ASP 691   2.368   3.955   1.235
  315   2HB   ASP 691          1HB       ASP 691   1.420   3.742  -0.234
  316    H    TRP 692           H        TRP 692  -0.493   5.046   2.926
  317    HA   TRP 692           HA       TRP 692  -2.251   3.131   2.158
  318   1HB   TRP 692          2HB       TRP 692  -2.103   3.975   4.445
  319   2HB   TRP 692          1HB       TRP 692  -2.853   5.488   3.952
  320    HD1  TRP 692           HD       TRP 692  -5.113   5.420   5.196
  321    HE1  TRP 692           1HE      TRP 692  -7.108   3.791   5.262
  322    HE3  TRP 692           3HE      TRP 692  -3.100   1.540   2.531
  323    HZ2  TRP 692           2HZ      TRP 692  -7.745   1.220   4.310
  324    HZ3  TRP 692           3HZ      TRP 692  -4.471  -0.463   2.154
  325    HH2  TRP 692           HH       TRP 692  -6.746  -0.621   3.026
  326    H    GLU 693           H        GLU 693  -2.684   6.632   1.641
  327    HA   GLU 693           HA       GLU 693  -5.251   6.619   0.642
  328   1HB   GLU 693          2HB       GLU 693  -4.875   8.784   0.227
  329   2HB   GLU 693          1HB       GLU 693  -3.296   8.509   0.946
  330   1HG   GLU 693          2HG       GLU 693  -2.380   8.081  -1.302
  331   2HG   GLU 693          1HG       GLU 693  -3.964   8.441  -1.988
  332    H    LYS 694           H        LYS 694  -2.230   5.959  -1.090
  333    HA   LYS 694           HA       LYS 694  -3.660   5.518  -3.571
  334   1HB   LYS 694          2HB       LYS 694  -0.744   5.364  -2.819
  335   2HB   LYS 694          1HB       LYS 694  -1.343   4.934  -4.415
  336   1HG   LYS 694          2HG       LYS 694  -2.005   7.135  -4.882
  337   2HG   LYS 694          1HG       LYS 694  -1.882   7.617  -3.188
  338   1HD   LYS 694          2HD       LYS 694   0.510   6.671  -4.737
  339   2HD   LYS 694          1HD       LYS 694  -0.014   8.355  -4.779
  340   1HE   LYS 694          2HE       LYS 694   0.377   6.976  -2.156
  341   2HE   LYS 694          1HE       LYS 694   1.773   7.586  -3.043
  342   1HZ   LYS 694          1HZ       LYS 694   0.336   9.040  -1.324
  343   2HZ   LYS 694          2HZ       LYS 694  -0.429   9.449  -2.776
  344   3HZ   LYS 694          3HZ       LYS 694   1.234   9.703  -2.596
  345    H    HIS 695           H        HIS 695  -1.713   3.616  -1.285
  346    HA   HIS 695           HA       HIS 695  -1.861   1.179  -2.608
  347   1HB   HIS 695          2HB       HIS 695  -0.299   1.541  -0.799
  348   2HB   HIS 695          1HB       HIS 695  -1.620   1.736   0.349
  349    HD1  HIS 695           1HD      HIS 695  -0.806  -1.012  -2.181
  350    HD2  HIS 695           2HD      HIS 695  -1.765  -0.482   1.826
  351    HE1  HIS 695           1HE      HIS 695  -0.957  -3.326  -1.180
  352    H    HIS 696           H        HIS 696  -4.132   2.565  -0.245
  353    HA   HIS 696           HA       HIS 696  -5.630   0.304   0.227
  354   1HB   HIS 696          2HB       HIS 696  -7.390   1.688   1.028
  355   2HB   HIS 696          1HB       HIS 696  -5.864   2.434   1.470
  356    HD1  HIS 696           1HD      HIS 696  -8.193   2.790  -1.545
  357    HD2  HIS 696           2HD      HIS 696  -6.100   5.069   1.222
  358    HE1  HIS 696           1HE      HIS 696  -8.718   5.187  -2.103
  359    HE2  HIS 696           2HE      HIS 696  -7.363   6.546  -0.481
  360    H    HIS 697           H        HIS 697  -5.634   2.274  -2.674
  361    HA   HIS 697           HA       HIS 697  -8.142   1.490  -3.685
  362   1HB   HIS 697          2HB       HIS 697  -5.645   1.996  -5.313
  363   2HB   HIS 697          1HB       HIS 697  -7.310   2.133  -5.856
  364    HD1  HIS 697           1HD      HIS 697  -8.643   4.031  -4.112
  365    HD2  HIS 697           2HD      HIS 697  -4.607   4.443  -5.005
  366    HE1  HIS 697           1HE      HIS 697  -8.106   6.457  -3.714
  367    HE2  HIS 697           2HE      HIS 697  -5.684   6.699  -4.354
  368    H    ILE 698           H        ILE 698  -5.011  -0.099  -3.574
  369    HA   ILE 698           HA       ILE 698  -6.056  -2.323  -5.176
  370    HB   ILE 698           HB       ILE 698  -3.756  -3.070  -5.414
  371   1HG1  ILE 698          2HG1      ILE 698  -2.609  -0.592  -4.283
  372   2HG1  ILE 698          1HG1      ILE 698  -3.235  -1.742  -3.106
  373   1HG2  ILE 698          1HG2      ILE 698  -2.884  -0.987  -6.616
  374   2HG2  ILE 698          2HG2      ILE 698  -4.401  -0.236  -6.125
  375   3HG2  ILE 698          3HG2      ILE 698  -4.419  -1.671  -7.149
  376   1HD1  ILE 698          1HD1      ILE 698  -0.855  -1.876  -4.784
  377   2HD1  ILE 698          2HD1      ILE 698  -1.806  -3.361  -4.751
  378   3HD1  ILE 698          3HD1      ILE 698  -1.212  -2.661  -3.245
  379    H    CYS 699           H        CYS 699  -5.732  -1.556  -1.941
  380    HA   CYS 699           HA       CYS 699  -4.648  -3.917  -0.879
  381   1HB   CYS 699          2HB       CYS 699  -5.288  -1.607   0.236
  382   2HB   CYS 699          1HB       CYS 699  -6.781  -2.459   0.613
  383    H    GLY 700           H        GLY 700  -5.406  -5.824  -1.572
  384   1HA   GLY 700          2HA       GLY 700  -7.917  -6.548  -2.380
  385   2HA   GLY 700          1HA       GLY 700  -6.801  -7.652  -1.590
  386    H    GLN 701           H        GLN 701  -6.856  -5.992   0.890
  387    HA   GLN 701           HA       GLN 701  -7.984  -5.887   2.861
  388   1HB   GLN 701          2HB       GLN 701  -9.672  -4.726   1.288
  389   2HB   GLN 701          1HB       GLN 701 -10.570  -6.235   1.366
  390   1HG   GLN 701          2HG       GLN 701 -11.559  -5.421   3.171
  391   2HG   GLN 701          1HG       GLN 701 -10.027  -5.657   4.011
  392   1HE2  GLN 701          1HE2      GLN 701 -10.882  -3.878   5.329
  393   2HE2  GLN 701          2HE2      GLN 701 -10.585  -2.255   4.813
  394    H    THR 702           H        THR 702  -7.830  -7.537   4.211
  395    HA   THR 702           HA       THR 702  -8.049  -9.590   5.162
  396    HB   THR 702           HB       THR 702 -10.513 -10.072   3.520
  397    HG1  THR 702           1HG      THR 702 -11.032  -8.097   4.135
  398   1HG2  THR 702          1HG2      THR 702  -9.717 -10.683   6.346
  399   2HG2  THR 702          2HG2      THR 702 -10.102 -11.815   5.050
  400   3HG2  THR 702          3HG2      THR 702 -11.374 -10.821   5.758
  401    H    LEU 703           H        LEU 703  -7.963 -11.921   4.748
  402    HA   LEU 703           HA       LEU 703  -6.756 -12.443   2.132
  403   1HB   LEU 703          2HB       LEU 703  -5.896 -14.511   3.222
  404   2HB   LEU 703          1HB       LEU 703  -5.340 -13.020   3.960
  405    HG   LEU 703           HG       LEU 703  -7.705 -13.828   5.323
  406   1HD1  LEU 703          1HD1      LEU 703  -5.886 -16.042   4.581
  407   2HD1  LEU 703          2HD1      LEU 703  -7.615 -16.058   4.925
  408   3HD1  LEU 703          3HD1      LEU 703  -6.453 -15.983   6.249
  409   1HD2  LEU 703          1HD2      LEU 703  -4.821 -13.914   6.201
  410   2HD2  LEU 703          2HD2      LEU 703  -6.242 -13.846   7.245
  411   3HD2  LEU 703          3HD2      LEU 703  -5.842 -12.475   6.211
  412    H    GLN 704           H        GLN 704  -7.023 -15.021   1.679
  413    HA   GLN 704           HA       GLN 704  -8.398 -16.646   0.881
  414   1HB   GLN 704          2HB       GLN 704  -9.148 -16.461   3.392
  415   2HB   GLN 704          1HB       GLN 704 -10.606 -15.762   2.700
  416   1HG   GLN 704          2HG       GLN 704 -11.115 -17.739   1.523
  417   2HG   GLN 704          1HG       GLN 704  -9.516 -18.418   1.824
  418   1HE2  GLN 704          1HE2      GLN 704 -12.198 -19.462   2.422
  419   2HE2  GLN 704          2HE2      GLN 704 -12.208 -19.778   4.121
  420    H    ALA 705           H        ALA 705 -10.447 -17.010  -0.320
  421    HA   ALA 705           HA       ALA 705 -10.964 -14.810  -2.050
  422   1HB   ALA 705          1HB       ALA 705 -11.923 -16.326  -3.419
  423   2HB   ALA 705          2HB       ALA 705 -12.826 -17.094  -2.112
  424   3HB   ALA 705          3HB       ALA 705 -11.122 -17.479  -2.352
  425    H    GLN 706           H        GLN 706 -13.043 -13.856  -2.492
  426    HA   GLN 706           HA       GLN 706 -15.303 -14.159  -0.861
  427   1HB   GLN 706          2HB       GLN 706 -13.513 -13.082   0.710
  428   2HB   GLN 706          1HB       GLN 706 -13.894 -11.607  -0.168
  429   1HG   GLN 706          2HG       GLN 706 -15.175 -11.756   1.883
  430   2HG   GLN 706          1HG       GLN 706 -16.233 -11.815   0.473
  431   1HE2  GLN 706          1HE2      GLN 706 -17.914 -12.952   1.223
  432   2HE2  GLN 706          2HE2      GLN 706 -17.816 -14.554   1.863
  433    H    GLN 707           H        GLN 707 -16.981 -12.614  -1.341
  434    HA   GLN 707           HA       GLN 707 -16.943 -11.770  -4.044
  435   1HB   GLN 707          2HB       GLN 707 -18.974 -12.474  -2.721
  436   2HB   GLN 707          1HB       GLN 707 -18.908 -10.912  -1.917
  437   1HG   GLN 707          2HG       GLN 707 -18.976 -11.017  -4.893
  438   2HG   GLN 707          1HG       GLN 707 -20.459 -11.288  -3.979
  439   1HE2  GLN 707          1HE2      GLN 707 -19.003  -9.031  -5.654
  440   2HE2  GLN 707          2HE2      GLN 707 -19.438  -7.609  -4.773
  Start of MODEL    7
    1    H    THR1101           H        THR1101  -6.199  10.187   7.940
    2    HA   THR1101           HA       THR1101  -6.491  10.000   5.603
    3    HB   THR1101           HB       THR1101  -4.834   7.950   5.384
    4    HG1  THR1101           1HG      THR1101  -4.753   8.461   8.169
    5   1HG2  THR1101          1HG2      THR1101  -3.700  10.030   7.150
    6   2HG2  THR1101          2HG2      THR1101  -4.388  10.553   5.612
    7   3HG2  THR1101          3HG2      THR1101  -3.088   9.361   5.638
    8    H    ILE1102           H        ILE1102  -8.547   9.457   4.853
    9    HA   ILE1102           HA       ILE1102 -10.128   8.189   3.846
   10    HB   ILE1102           HB       ILE1102  -7.866   6.206   3.660
   11   1HG1  ILE1102          2HG1      ILE1102  -8.186   7.123   1.165
   12   2HG1  ILE1102          1HG1      ILE1102  -8.756   8.537   2.046
   13   1HG2  ILE1102          1HG2      ILE1102  -9.542   4.783   3.146
   14   2HG2  ILE1102          2HG2      ILE1102  -9.470   5.599   1.584
   15   3HG2  ILE1102          3HG2      ILE1102 -10.674   6.085   2.776
   16   1HD1  ILE1102          1HD1      ILE1102  -6.410   8.752   1.538
   17   2HD1  ILE1102          2HD1      ILE1102  -6.069   7.217   2.336
   18   3HD1  ILE1102          3HD1      ILE1102  -6.636   8.595   3.280
   19    H    SER1103           H        SER1103  -8.457   5.443   5.297
   20    HA   SER1103           HA       SER1103 -10.457   5.200   7.382
   21   1HB   SER1103          2HB       SER1103 -10.408   3.500   4.957
   22   2HB   SER1103          1HB       SER1103 -10.588   2.647   6.489
   23    HG   SER1103           HG       SER1103 -12.183   4.868   5.751
   24    H    ASN1104           H        ASN1104 -10.003   2.799   8.396
   25    HA   ASN1104           HA       ASN1104  -7.178   2.919   9.137
   26   1HB   ASN1104          2HB       ASN1104  -9.392   1.328  10.437
   27   2HB   ASN1104          1HB       ASN1104  -7.788   1.645  11.092
   28   1HD2  ASN1104          1HD2      ASN1104  -7.446   4.281  10.660
   29   2HD2  ASN1104          2HD2      ASN1104  -8.625   5.196  11.530
   30    HA   PRO1105           HA       PRO1105  -6.797  -0.686   6.407
   31   1HB   PRO1105          2HB       PRO1105  -4.089  -0.672   6.323
   32   2HB   PRO1105          1HB       PRO1105  -5.079   0.410   5.340
   33   1HG   PRO1105          2HG       PRO1105  -3.658   0.962   7.916
   34   2HG   PRO1105          1HG       PRO1105  -3.769   1.968   6.460
   35   1HD   PRO1105          2HD       PRO1105  -5.299   2.398   8.655
   36   2HD   PRO1105          1HD       PRO1105  -5.860   2.757   7.010
   37    HA   PRO1106           HA       PRO1106  -6.117  -4.017   9.214
   38   1HB   PRO1106          2HB       PRO1106  -4.345  -5.225   7.151
   39   2HB   PRO1106          1HB       PRO1106  -5.771  -5.901   7.946
   40   1HG   PRO1106          2HG       PRO1106  -5.899  -5.061   5.425
   41   2HG   PRO1106          1HG       PRO1106  -7.246  -4.787   6.545
   42   1HD   PRO1106          2HD       PRO1106  -5.163  -2.872   5.575
   43   2HD   PRO1106          1HD       PRO1106  -6.892  -2.602   5.880
   44    HA   PRO1107           HA       PRO1107  -2.179  -3.647  11.178
   45   1HB   PRO1107          2HB       PRO1107  -1.632  -6.128  12.084
   46   2HB   PRO1107          1HB       PRO1107  -2.951  -5.154  12.745
   47   1HG   PRO1107          2HG       PRO1107  -3.058  -7.360  10.721
   48   2HG   PRO1107          1HG       PRO1107  -4.121  -7.065  12.110
   49   1HD   PRO1107          2HD       PRO1107  -4.785  -6.372   9.570
   50   2HD   PRO1107          1HD       PRO1107  -5.348  -5.472  10.993
   51    H    LEU1108           H        LEU1108   0.087  -4.134  11.111
   52    HA   LEU1108           HA       LEU1108   0.935  -5.131   8.496
   53   1HB   LEU1108          2HB       LEU1108   1.984  -3.211  10.469
   54   2HB   LEU1108          1HB       LEU1108   3.204  -4.200   9.689
   55    HG   LEU1108           HG       LEU1108   1.197  -2.459   8.252
   56   1HD1  LEU1108          1HD1      LEU1108   4.162  -2.062   8.633
   57   2HD1  LEU1108          2HD1      LEU1108   2.906  -1.196   9.516
   58   3HD1  LEU1108          3HD1      LEU1108   3.052  -0.997   7.771
   59   1HD2  LEU1108          1HD2      LEU1108   2.686  -2.928   6.297
   60   2HD2  LEU1108          2HD2      LEU1108   1.766  -4.318   6.871
   61   3HD2  LEU1108          3HD2      LEU1108   3.476  -4.167   7.271
   62    H    ILE1109           H        ILE1109   2.449  -6.770   8.234
   63    HA   ILE1109           HA       ILE1109   2.964  -8.393  10.641
   64    HB   ILE1109           HB       ILE1109   3.329 -10.223   8.748
   65   1HG1  ILE1109          2HG1      ILE1109   1.167  -8.489   7.544
   66   2HG1  ILE1109          1HG1      ILE1109   2.818  -8.554   6.942
   67   1HG2  ILE1109          1HG2      ILE1109   1.342 -11.158   9.430
   68   2HG2  ILE1109          2HG2      ILE1109   0.484  -9.616   9.405
   69   3HG2  ILE1109          3HG2      ILE1109   1.616  -9.975  10.709
   70   1HD1  ILE1109          1HD1      ILE1109   1.014  -9.988   5.806
   71   2HD1  ILE1109          2HD1      ILE1109   1.201 -11.049   7.202
   72   3HD1  ILE1109          3HD1      ILE1109   2.581 -10.716   6.157
   73    H    SER1110           H        SER1110   5.019  -8.556  11.242
   74    HA   SER1110           HA       SER1110   7.109  -7.659   9.424
   75   1HB   SER1110          2HB       SER1110   8.575  -7.841  11.445
   76   2HB   SER1110          1HB       SER1110   7.199  -6.759  11.665
   77    HG   SER1110           HG       SER1110   7.847  -8.734  13.203
   78    H    SER1111           H        SER1111   8.490  -8.955   8.399
   79    HA   SER1111           HA       SER1111   8.602 -11.788   9.204
   80   1HB   SER1111          2HB       SER1111   8.762 -12.426   6.862
   81   2HB   SER1111          1HB       SER1111   7.304 -11.463   7.106
   82    HG   SER1111           HG       SER1111   8.159 -10.471   5.417
   83    H    ALA1112           H        ALA1112  10.560 -12.367   9.846
   84    HA   ALA1112           HA       ALA1112  12.912 -11.635   8.367
   85   1HB   ALA1112          1HB       ALA1112  12.215  -9.794  10.219
   86   2HB   ALA1112          2HB       ALA1112  13.876 -10.116   9.720
   87   3HB   ALA1112          3HB       ALA1112  13.236 -10.858  11.187
   88    H    LYS1113           H        LYS1113  13.230 -13.844   8.160
   89    HA   LYS1113           HA       LYS1113  13.194 -15.659  10.338
   90   1HB   LYS1113          2HB       LYS1113  14.585 -15.931   7.666
   91   2HB   LYS1113          1HB       LYS1113  14.232 -17.241   8.784
   92   1HG   LYS1113          2HG       LYS1113  12.300 -17.544   7.755
   93   2HG   LYS1113          1HG       LYS1113  11.787 -15.950   8.313
   94   1HD   LYS1113          2HD       LYS1113  12.512 -14.910   6.319
   95   2HD   LYS1113          1HD       LYS1113  13.432 -16.333   5.823
   96   1HE   LYS1113          2HE       LYS1113  10.433 -16.272   6.114
   97   2HE   LYS1113          1HE       LYS1113  11.283 -16.006   4.592
   98   1HZ   LYS1113          1HZ       LYS1113  10.844 -18.471   6.063
   99   2HZ   LYS1113          2HZ       LYS1113  12.376 -18.298   5.369
  100   3HZ   LYS1113          3HZ       LYS1113  10.995 -18.214   4.398
  101    H    ASP 658           H        ASP 658  12.431  -7.014  -9.824
  102    HA   ASP 658           HA       ASP 658  11.314  -8.867  -7.825
  103   1HB   ASP 658          2HB       ASP 658  13.344  -9.596  -9.394
  104   2HB   ASP 658          1HB       ASP 658  14.269  -8.717  -8.179
  105    H    SER 659           H        SER 659  10.630  -7.259  -6.436
  106    HA   SER 659           HA       SER 659  12.736  -5.996  -4.887
  107   1HB   SER 659          2HB       SER 659  10.490  -4.237  -5.840
  108   2HB   SER 659          1HB       SER 659  12.046  -3.771  -5.155
  109    HG   SER 659           HG       SER 659  11.858  -3.503  -7.473
  110    H    SER 660           H        SER 660  11.916  -7.594  -3.387
  111    HA   SER 660           HA       SER 660   9.242  -7.099  -2.320
  112   1HB   SER 660          2HB       SER 660  11.182  -9.345  -2.200
  113   2HB   SER 660          1HB       SER 660  10.145  -9.117  -0.792
  114    HG   SER 660           HG       SER 660   9.461 -10.423  -2.838
  115    H    GLU 661           H        GLU 661  12.614  -6.730  -1.500
  116    HA   GLU 661           HA       GLU 661  11.943  -5.873   1.214
  117   1HB   GLU 661          2HB       GLU 661  14.534  -6.513  -0.178
  118   2HB   GLU 661          1HB       GLU 661  14.506  -5.677   1.368
  119   1HG   GLU 661          2HG       GLU 661  13.673  -7.515   2.497
  120   2HG   GLU 661          1HG       GLU 661  13.043  -8.257   1.028
  121    H    SER 662           H        SER 662  10.824  -3.957   0.399
  122    HA   SER 662           HA       SER 662  12.482  -1.661   0.515
  123   1HB   SER 662          2HB       SER 662  11.434  -0.931  -1.869
  124   2HB   SER 662          1HB       SER 662  13.039  -1.638  -1.688
  125    HG   SER 662           HG       SER 662  11.315  -2.577  -3.232
  126    H    CYS 663           H        CYS 663  11.339  -0.001   1.313
  127    HA   CYS 663           HA       CYS 663   8.614  -0.345   1.998
  128   1HB   CYS 663          2HB       CYS 663  10.450   1.034   3.177
  129   2HB   CYS 663          1HB       CYS 663  10.055   2.291   2.016
  130    H    TRP 664           H        TRP 664   6.836   0.104   0.874
  131    HA   TRP 664           HA       TRP 664   6.911   1.025  -1.783
  132   1HB   TRP 664          2HB       TRP 664   4.639   0.700   0.177
  133   2HB   TRP 664          1HB       TRP 664   4.389   1.217  -1.487
  134    HD1  TRP 664           HD       TRP 664   6.941  -1.507  -0.625
  135    HE1  TRP 664           1HE      TRP 664   6.138  -3.733  -1.642
  136    HE3  TRP 664           3HE      TRP 664   2.305  -0.052  -2.251
  137    HZ2  TRP 664           2HZ      TRP 664   3.858  -4.738  -2.955
  138    HZ3  TRP 664           3HZ      TRP 664   0.882  -1.712  -3.374
  139    HH2  TRP 664           HH       TRP 664   1.641  -4.002  -3.718
  140    H    ASN 665           H        ASN 665   6.831   2.732   1.195
  141    HA   ASN 665           HA       ASN 665   5.939   5.205  -0.109
  142   1HB   ASN 665          2HB       ASN 665   4.710   4.947   1.854
  143   2HB   ASN 665          1HB       ASN 665   6.077   4.286   2.743
  144   1HD2  ASN 665          1HD2      ASN 665   6.678   5.589   4.298
  145   2HD2  ASN 665          2HD2      ASN 665   6.737   7.314   4.227
  146    H    CYS 666           H        CYS 666   8.394   4.310   2.328
  147    HA   CYS 666           HA       CYS 666   9.959   6.584   2.083
  148   1HB   CYS 666          2HB       CYS 666  10.659   3.778   2.922
  149   2HB   CYS 666          1HB       CYS 666  11.833   5.087   2.963
  150    H    GLY 667           H        GLY 667  10.720   3.390   0.619
  151   1HA   GLY 667          2HA       GLY 667  11.371   3.160  -1.663
  152   2HA   GLY 667          1HA       GLY 667  11.876   4.844  -1.656
  153    H    ARG 668           H        ARG 668  12.746   2.851   1.029
  154    HA   ARG 668           HA       ARG 668  15.480   2.603  -0.039
  155   1HB   ARG 668          2HB       ARG 668  14.945   4.359   1.862
  156   2HB   ARG 668          1HB       ARG 668  15.020   2.938   2.895
  157   1HG   ARG 668          2HG       ARG 668  17.280   2.810   1.239
  158   2HG   ARG 668          1HG       ARG 668  17.153   4.488   1.772
  159   1HD   ARG 668          2HD       ARG 668  18.346   3.622   3.516
  160   2HD   ARG 668          1HD       ARG 668  16.709   3.341   4.109
  161    HE   ARG 668           HE       ARG 668  17.274   1.060   2.778
  162   1HH1  ARG 668          1HH1      ARG 668  18.964   2.849   5.251
  163   2HH1  ARG 668          2HH1      ARG 668  19.710   1.443   5.934
  164   1HH2  ARG 668          1HH2      ARG 668  18.254  -0.791   3.675
  165   2HH2  ARG 668          2HH2      ARG 668  19.307  -0.623   5.039
  166    H    LYS 669           H        LYS 669  13.482   1.452   2.689
  167    HA   LYS 669           HA       LYS 669  13.760  -1.278   1.904
  168   1HB   LYS 669          2HB       LYS 669  15.156  -2.103   3.630
  169   2HB   LYS 669          1HB       LYS 669  16.006  -0.730   2.937
  170   1HG   LYS 669          2HG       LYS 669  16.304  -0.336   5.167
  171   2HG   LYS 669          1HG       LYS 669  14.828   0.586   4.872
  172   1HD   LYS 669          2HD       LYS 669  13.921  -0.579   6.547
  173   2HD   LYS 669          1HD       LYS 669  13.907  -1.959   5.448
  174   1HE   LYS 669          2HE       LYS 669  16.510  -1.822   6.484
  175   2HE   LYS 669          1HE       LYS 669  15.431  -1.555   7.852
  176   1HZ   LYS 669          1HZ       LYS 669  14.632  -3.644   7.744
  177   2HZ   LYS 669          2HZ       LYS 669  16.110  -3.964   6.985
  178   3HZ   LYS 669          3HZ       LYS 669  14.716  -3.727   6.056
  179    H    ALA 670           H        ALA 670  12.524  -2.716   3.198
  180    HA   ALA 670           HA       ALA 670  10.908  -1.538   5.329
  181   1HB   ALA 670          1HB       ALA 670   9.876  -2.491   2.705
  182   2HB   ALA 670          2HB       ALA 670   9.352  -1.132   3.701
  183   3HB   ALA 670          3HB       ALA 670   8.907  -2.778   4.151
  184    H    SER 671           H        SER 671  10.179  -2.998   6.851
  185    HA   SER 671           HA       SER 671  11.057  -5.787   6.477
  186   1HB   SER 671          2HB       SER 671  11.428  -3.897   8.735
  187   2HB   SER 671          1HB       SER 671  11.076  -5.574   9.155
  188    HG   SER 671           HG       SER 671  13.095  -4.854   7.308
  189    H    GLU 672           H        GLU 672   8.369  -3.851   6.816
  190    HA   GLU 672           HA       GLU 672   6.841  -5.988   8.145
  191   1HB   GLU 672          2HB       GLU 672   5.736  -3.238   7.687
  192   2HB   GLU 672          1HB       GLU 672   5.301  -4.417   8.914
  193   1HG   GLU 672          2HG       GLU 672   8.038  -3.249   8.958
  194   2HG   GLU 672          1HG       GLU 672   6.679  -2.275   9.518
  195    H    THR 673           H        THR 673   4.714  -6.465   7.301
  196    HA   THR 673           HA       THR 673   4.409  -5.855   4.443
  197    HB   THR 673           HB       THR 673   4.189  -8.570   5.757
  198    HG1  THR 673           1HG      THR 673   6.152  -8.710   5.088
  199   1HG2  THR 673          1HG2      THR 673   3.540  -7.782   2.925
  200   2HG2  THR 673          2HG2      THR 673   2.432  -8.448   4.124
  201   3HG2  THR 673          3HG2      THR 673   3.747  -9.440   3.492
  202    H    CYS 674           H        CYS 674   2.362  -5.527   3.722
  203    HA   CYS 674           HA       CYS 674   0.347  -4.924   5.631
  204   1HB   CYS 674          2HB       CYS 674   0.492  -3.684   3.548
  205   2HB   CYS 674          1HB       CYS 674   0.234  -5.153   2.617
  206    H    SER 675           H        SER 675  -0.594  -6.513   6.754
  207    HA   SER 675           HA       SER 675  -0.907  -9.165   5.828
  208   1HB   SER 675          2HB       SER 675  -1.961  -9.612   7.895
  209   2HB   SER 675          1HB       SER 675  -0.795  -8.338   8.249
  210    HG   SER 675           HG       SER 675  -2.380  -7.069   8.774
  211    H    GLY 676           H        GLY 676  -2.676  -6.398   5.063
  212   1HA   GLY 676          2HA       GLY 676  -5.278  -7.584   4.874
  213   2HA   GLY 676          1HA       GLY 676  -4.776  -6.055   4.169
  214    H    CYS 677           H        CYS 677  -2.864  -6.656   2.411
  215    HA   CYS 677           HA       CYS 677  -4.220  -8.482   0.549
  216   1HB   CYS 677          2HB       CYS 677  -3.124  -7.219  -1.253
  217   2HB   CYS 677          1HB       CYS 677  -4.117  -6.176  -0.241
  218    H    ASN 678           H        ASN 678  -1.488  -8.202   2.495
  219    HA   ASN 678           HA       ASN 678   0.420  -9.412   2.720
  220   1HB   ASN 678          2HB       ASN 678  -1.108 -11.274   0.896
  221   2HB   ASN 678          1HB       ASN 678   0.439 -11.688   1.629
  222   1HD2  ASN 678          1HD2      ASN 678   0.303 -10.855   4.125
  223   2HD2  ASN 678          2HD2      ASN 678  -1.007 -11.591   4.978
  224    H    THR 679           H        THR 679   0.066  -7.460   0.460
  225    HA   THR 679           HA       THR 679   2.269  -8.440  -1.230
  226    HB   THR 679           HB       THR 679  -0.035  -6.650  -2.007
  227    HG1  THR 679           1HG      THR 679  -0.509  -8.410  -3.404
  228   1HG2  THR 679          1HG2      THR 679   1.152  -5.913  -3.712
  229   2HG2  THR 679          2HG2      THR 679   1.325  -7.573  -4.282
  230   3HG2  THR 679          3HG2      THR 679   2.539  -6.878  -3.209
  231    H    ALA 680           H        ALA 680   0.836  -5.656   0.363
  232    HA   ALA 680           HA       ALA 680   2.845  -3.806  -0.448
  233   1HB   ALA 680          1HB       ALA 680   1.662  -2.838   1.897
  234   2HB   ALA 680          2HB       ALA 680   0.403  -3.740   1.055
  235   3HB   ALA 680          3HB       ALA 680   1.249  -2.429   0.232
  236    H    ARG 681           H        ARG 681   4.397  -2.767   0.887
  237    HA   ARG 681           HA       ARG 681   5.228  -4.222   3.290
  238   1HB   ARG 681          2HB       ARG 681   7.009  -3.546   0.943
  239   2HB   ARG 681          1HB       ARG 681   7.606  -4.072   2.511
  240   1HG   ARG 681          2HG       ARG 681   5.595  -5.799   1.200
  241   2HG   ARG 681          1HG       ARG 681   7.203  -5.740   0.476
  242   1HD   ARG 681          2HD       ARG 681   6.988  -6.098   3.421
  243   2HD   ARG 681          1HD       ARG 681   6.601  -7.467   2.381
  244    HE   ARG 681           HE       ARG 681   9.118  -6.165   1.808
  245   1HH1  ARG 681          1HH1      ARG 681   7.501  -8.705   3.577
  246   2HH1  ARG 681          2HH1      ARG 681   8.938  -9.649   3.778
  247   1HH2  ARG 681          1HH2      ARG 681  11.008  -7.406   2.076
  248   2HH2  ARG 681          2HH2      ARG 681  10.928  -8.912   2.928
  249    H    TYR 682           H        TYR 682   6.166  -2.943   4.862
  250    HA   TYR 682           HA       TYR 682   6.927  -0.214   4.255
  251   1HB   TYR 682          2HB       TYR 682   4.589  -0.863   6.056
  252   2HB   TYR 682          1HB       TYR 682   5.404   0.697   6.041
  253    HD1  TYR 682           1HD      TYR 682   2.915  -1.368   4.482
  254    HD2  TYR 682           2HD      TYR 682   5.400   2.034   3.886
  255    HE1  TYR 682           1HE      TYR 682   1.463  -0.637   2.637
  256    HE2  TYR 682           2HE      TYR 682   3.954   2.774   2.040
  257    HH   TYR 682           HH       TYR 682   2.347   1.715   0.421
  258    H    CYS 683           H        CYS 683   8.212   0.737   5.872
  259    HA   CYS 683           HA       CYS 683   9.372  -1.201   7.707
  260   1HB   CYS 683          2HB       CYS 683  11.222   0.325   7.929
  261   2HB   CYS 683          1HB       CYS 683  10.837   0.162   6.221
  262    H    GLY 684           H        GLY 684   7.209   1.483   7.770
  263   1HA   GLY 684          2HA       GLY 684   7.047   1.224  10.671
  264   2HA   GLY 684          1HA       GLY 684   7.454   2.818  10.049
  265    H    SER 685           H        SER 685   5.110   1.937  11.571
  266    HA   SER 685           HA       SER 685   2.800   1.565  10.157
  267   1HB   SER 685          2HB       SER 685   1.813   3.169  12.028
  268   2HB   SER 685          1HB       SER 685   2.425   1.563  12.426
  269    HG   SER 685           HG       SER 685   3.830   4.019  12.656
  270    H    PHE 686           H        PHE 686   4.550   4.604  10.615
  271    HA   PHE 686           HA       PHE 686   2.589   6.283   9.480
  272   1HB   PHE 686          2HB       PHE 686   4.336   7.959   9.312
  273   2HB   PHE 686          1HB       PHE 686   4.468   7.119  10.852
  274    HD1  PHE 686           1HD      PHE 686   6.105   7.978   7.772
  275    HD2  PHE 686           2HD      PHE 686   6.252   5.388  11.146
  276    HE1  PHE 686           1HE      PHE 686   8.471   7.499   7.297
  277    HE2  PHE 686           2HE      PHE 686   8.617   4.903  10.675
  278    HZ   PHE 686           HZ       PHE 686   9.730   5.959   8.750
  279    H    CYS 687           H        CYS 687   5.211   4.399   8.065
  280    HA   CYS 687           HA       CYS 687   5.120   5.540   5.490
  281   1HB   CYS 687          2HB       CYS 687   5.881   2.703   6.200
  282   2HB   CYS 687          1HB       CYS 687   6.362   3.598   4.762
  283    H    GLN 688           H        GLN 688   3.445   2.757   6.890
  284    HA   GLN 688           HA       GLN 688   2.165   1.935   4.526
  285   1HB   GLN 688          2HB       GLN 688   1.234   0.318   5.803
  286   2HB   GLN 688          1HB       GLN 688   2.405   0.871   6.986
  287   1HG   GLN 688          2HG       GLN 688   0.572   0.866   8.297
  288   2HG   GLN 688          1HG       GLN 688   0.399   2.490   7.637
  289   1HE2  GLN 688          1HE2      GLN 688  -0.841  -0.717   7.710
  290   2HE2  GLN 688          2HE2      GLN 688  -2.270  -0.420   6.789
  291    H    HIS 689           H        HIS 689   1.209   4.212   7.049
  292    HA   HIS 689           HA       HIS 689  -1.395   4.700   6.031
  293   1HB   HIS 689          2HB       HIS 689   0.372   5.928   8.080
  294   2HB   HIS 689          1HB       HIS 689  -0.933   6.926   7.444
  295    HD1  HIS 689           1HD      HIS 689  -1.607   6.617  10.124
  296    HD2  HIS 689           2HD      HIS 689  -2.183   3.391   7.571
  297    HE1  HIS 689           1HE      HIS 689  -3.243   5.114  11.301
  298    HE2  HIS 689           2HE      HIS 689  -3.505   3.122   9.779
  299    H    LYS 690           H        LYS 690   1.744   6.198   5.518
  300    HA   LYS 690           HA       LYS 690   0.955   8.526   4.208
  301   1HB   LYS 690          2HB       LYS 690   3.312   7.650   4.950
  302   2HB   LYS 690          1HB       LYS 690   3.382   7.012   3.315
  303   1HG   LYS 690          2HG       LYS 690   3.088   9.890   4.137
  304   2HG   LYS 690          1HG       LYS 690   4.477   9.132   3.358
  305   1HD   LYS 690          2HD       LYS 690   1.734   9.499   2.154
  306   2HD   LYS 690          1HD       LYS 690   3.182  10.419   1.749
  307   1HE   LYS 690          2HE       LYS 690   3.748   7.625   1.501
  308   2HE   LYS 690          1HE       LYS 690   2.275   7.998   0.610
  309   1HZ   LYS 690          1HZ       LYS 690   3.702   9.976  -0.258
  310   2HZ   LYS 690          2HZ       LYS 690   3.868   8.441  -0.947
  311   3HZ   LYS 690          3HZ       LYS 690   5.003   8.987   0.181
  312    H    ASP 691           H        ASP 691   1.822   5.378   2.793
  313    HA   ASP 691           HA       ASP 691   0.896   6.222   0.181
  314   1HB   ASP 691          2HB       ASP 691   2.331   3.859   1.279
  315   2HB   ASP 691          1HB       ASP 691   1.391   3.619  -0.191
  316    H    TRP 692           H        TRP 692  -0.536   4.947   2.939
  317    HA   TRP 692           HA       TRP 692  -2.295   3.028   2.171
  318   1HB   TRP 692          2HB       TRP 692  -2.162   3.859   4.460
  319   2HB   TRP 692          1HB       TRP 692  -2.882   5.388   3.969
  320    HD1  TRP 692           HD       TRP 692  -5.145   5.353   5.210
  321    HE1  TRP 692           1HE      TRP 692  -7.174   3.763   5.256
  322    HE3  TRP 692           3HE      TRP 692  -3.203   1.452   2.522
  323    HZ2  TRP 692           2HZ      TRP 692  -7.861   1.215   4.280
  324    HZ3  TRP 692           3HZ      TRP 692  -4.615  -0.520   2.125
  325    HH2  TRP 692           HH       TRP 692  -6.896  -0.636   2.987
  326    H    GLU 693           H        GLU 693  -2.723   6.531   1.662
  327    HA   GLU 693           HA       GLU 693  -5.279   6.522   0.639
  328   1HB   GLU 693          2HB       GLU 693  -4.895   8.690   0.260
  329   2HB   GLU 693          1HB       GLU 693  -3.310   8.404   0.960
  330   1HG   GLU 693          2HG       GLU 693  -2.432   7.979  -1.314
  331   2HG   GLU 693          1HG       GLU 693  -4.019   8.390  -1.965
  332    H    LYS 694           H        LYS 694  -2.244   5.854  -1.053
  333    HA   LYS 694           HA       LYS 694  -3.633   5.436  -3.560
  334   1HB   LYS 694          2HB       LYS 694  -0.729   5.217  -2.769
  335   2HB   LYS 694          1HB       LYS 694  -1.321   4.848  -4.383
  336   1HG   LYS 694          2HG       LYS 694  -1.738   7.038  -4.885
  337   2HG   LYS 694          1HG       LYS 694  -1.992   7.490  -3.198
  338   1HD   LYS 694          2HD       LYS 694   0.709   6.620  -4.156
  339   2HD   LYS 694          1HD       LYS 694   0.160   8.278  -4.403
  340   1HE   LYS 694          2HE       LYS 694  -0.275   7.295  -1.687
  341   2HE   LYS 694          1HE       LYS 694   1.423   7.321  -2.160
  342   1HZ   LYS 694          1HZ       LYS 694   1.399   9.592  -2.450
  343   2HZ   LYS 694          2HZ       LYS 694   0.371   9.413  -1.118
  344   3HZ   LYS 694          3HZ       LYS 694  -0.279   9.672  -2.658
  345    H    HIS 695           H        HIS 695  -1.730   3.502  -1.265
  346    HA   HIS 695           HA       HIS 695  -1.878   1.066  -2.583
  347   1HB   HIS 695          2HB       HIS 695  -0.386   1.465  -0.691
  348   2HB   HIS 695          1HB       HIS 695  -1.769   1.572   0.395
  349    HD1  HIS 695           1HD      HIS 695  -0.674  -1.056  -2.165
  350    HD2  HIS 695           2HD      HIS 695  -1.951  -0.704   1.773
  351    HE1  HIS 695           1HE      HIS 695  -0.783  -3.407  -1.244
  352    H    HIS 696           H        HIS 696  -4.173   2.454  -0.243
  353    HA   HIS 696           HA       HIS 696  -5.749   0.221   0.124
  354   1HB   HIS 696          2HB       HIS 696  -7.452   1.620   0.980
  355   2HB   HIS 696          1HB       HIS 696  -5.918   2.351   1.417
  356    HD1  HIS 696           1HD      HIS 696  -8.298   2.760  -1.548
  357    HD2  HIS 696           2HD      HIS 696  -6.110   4.991   1.183
  358    HE1  HIS 696           1HE      HIS 696  -8.796   5.166  -2.084
  359    HE2  HIS 696           2HE      HIS 696  -7.349   6.493  -0.514
  360    H    HIS 697           H        HIS 697  -5.630   2.307  -2.693
  361    HA   HIS 697           HA       HIS 697  -8.143   1.626  -3.791
  362   1HB   HIS 697          2HB       HIS 697  -5.572   2.198  -5.288
  363   2HB   HIS 697          1HB       HIS 697  -7.202   2.296  -5.939
  364    HD1  HIS 697           1HD      HIS 697  -8.667   4.077  -4.086
  365    HD2  HIS 697           2HD      HIS 697  -4.673   4.702  -5.035
  366    HE1  HIS 697           1HE      HIS 697  -8.246   6.519  -3.654
  367    HE2  HIS 697           2HE      HIS 697  -5.795   6.847  -4.128
  368    H    ILE 698           H        ILE 698  -5.043   0.009  -3.644
  369    HA   ILE 698           HA       ILE 698  -5.886  -2.078  -5.487
  370    HB   ILE 698           HB       ILE 698  -3.320  -2.191  -3.955
  371   1HG1  ILE 698          2HG1      ILE 698  -3.564  -0.637  -6.527
  372   2HG1  ILE 698          1HG1      ILE 698  -3.674   0.150  -4.957
  373   1HG2  ILE 698          1HG2      ILE 698  -4.459  -3.338  -6.421
  374   2HG2  ILE 698          2HG2      ILE 698  -3.361  -4.046  -5.237
  375   3HG2  ILE 698          3HG2      ILE 698  -2.743  -2.938  -6.462
  376   1HD1  ILE 698          1HD1      ILE 698  -1.441  -0.604  -4.396
  377   2HD1  ILE 698          2HD1      ILE 698  -1.432   0.298  -5.911
  378   3HD1  ILE 698          3HD1      ILE 698  -1.329  -1.462  -5.933
  379    H    CYS 699           H        CYS 699  -4.642  -1.915  -2.152
  380    HA   CYS 699           HA       CYS 699  -4.756  -4.452  -1.300
  381   1HB   CYS 699          2HB       CYS 699  -4.293  -2.275   0.009
  382   2HB   CYS 699          1HB       CYS 699  -6.008  -2.319   0.404
  383    H    GLY 700           H        GLY 700  -6.280  -5.710  -0.054
  384   1HA   GLY 700          2HA       GLY 700  -8.282  -6.780   0.225
  385   2HA   GLY 700          1HA       GLY 700  -9.040  -5.206   0.039
  386    H    GLN 701           H        GLN 701  -7.068  -6.854  -2.374
  387    HA   GLN 701           HA       GLN 701  -9.471  -7.448  -3.940
  388   1HB   GLN 701          2HB       GLN 701  -8.082  -5.191  -4.476
  389   2HB   GLN 701          1HB       GLN 701  -7.203  -6.336  -5.479
  390   1HG   GLN 701          2HG       GLN 701  -9.667  -7.000  -6.205
  391   2HG   GLN 701          1HG       GLN 701  -9.978  -5.335  -5.718
  392   1HE2  GLN 701          1HE2      GLN 701  -8.331  -3.741  -6.613
  393   2HE2  GLN 701          2HE2      GLN 701  -7.910  -3.936  -8.277
  394    H    THR 702           H        THR 702  -7.653  -9.128  -2.459
  395    HA   THR 702           HA       THR 702  -6.532 -10.705  -4.681
  396    HB   THR 702           HB       THR 702  -4.834 -11.548  -3.080
  397    HG1  THR 702           1HG      THR 702  -5.947  -9.577  -1.373
  398   1HG2  THR 702          1HG2      THR 702  -3.810  -9.907  -4.267
  399   2HG2  THR 702          2HG2      THR 702  -3.729  -9.196  -2.655
  400   3HG2  THR 702          3HG2      THR 702  -4.976  -8.674  -3.788
  401    H    LEU 703           H        LEU 703  -6.499 -13.029  -4.340
  402    HA   LEU 703           HA       LEU 703  -7.490 -15.011  -3.839
  403   1HB   LEU 703          2HB       LEU 703  -6.990 -13.780  -1.406
  404   2HB   LEU 703          1HB       LEU 703  -8.674 -14.254  -1.287
  405    HG   LEU 703           HG       LEU 703  -7.134 -15.951  -0.371
  406   1HD1  LEU 703          1HD1      LEU 703  -8.390 -17.703  -1.097
  407   2HD1  LEU 703          2HD1      LEU 703  -8.270 -17.233  -2.793
  408   3HD1  LEU 703          3HD1      LEU 703  -9.375 -16.379  -1.717
  409   1HD2  LEU 703          1HD2      LEU 703  -5.409 -16.858  -1.507
  410   2HD2  LEU 703          2HD2      LEU 703  -5.489 -15.346  -2.413
  411   3HD2  LEU 703          3HD2      LEU 703  -6.255 -16.800  -3.054
  412    H    GLN 704           H        GLN 704  -9.511 -16.064  -3.887
  413    HA   GLN 704           HA       GLN 704 -11.931 -14.482  -3.688
  414   1HB   GLN 704          2HB       GLN 704 -10.805 -14.404  -6.101
  415   2HB   GLN 704          1HB       GLN 704 -11.633 -15.947  -6.263
  416   1HG   GLN 704          2HG       GLN 704 -13.314 -14.659  -6.999
  417   2HG   GLN 704          1HG       GLN 704 -13.636 -14.458  -5.278
  418   1HE2  GLN 704          1HE2      GLN 704 -11.394 -13.060  -7.655
  419   2HE2  GLN 704          2HE2      GLN 704 -11.713 -11.413  -7.240
  420    H    ALA 705           H        ALA 705 -13.177 -15.727  -2.468
  421    HA   ALA 705           HA       ALA 705 -13.447 -18.568  -3.173
  422   1HB   ALA 705          1HB       ALA 705 -11.971 -18.441  -1.238
  423   2HB   ALA 705          2HB       ALA 705 -13.517 -19.169  -0.800
  424   3HB   ALA 705          3HB       ALA 705 -13.178 -17.494  -0.367
  425    H    GLN 706           H        GLN 706 -14.811 -15.859  -1.321
  426    HA   GLN 706           HA       GLN 706 -17.470 -16.616  -2.251
  427   1HB   GLN 706          2HB       GLN 706 -17.019 -17.689   0.011
  428   2HB   GLN 706          1HB       GLN 706 -16.984 -16.061   0.674
  429   1HG   GLN 706          2HG       GLN 706 -19.246 -15.705   0.235
  430   2HG   GLN 706          1HG       GLN 706 -19.328 -17.046  -0.908
  431   1HE2  GLN 706          1HE2      GLN 706 -18.354 -19.140   0.345
  432   2HE2  GLN 706          2HE2      GLN 706 -19.227 -19.495   1.793
  433    H    GLN 707           H        GLN 707 -18.547 -14.882  -2.918
  434    HA   GLN 707           HA       GLN 707 -17.440 -12.261  -2.562
  435   1HB   GLN 707          2HB       GLN 707 -18.885 -13.387  -4.539
  436   2HB   GLN 707          1HB       GLN 707 -20.171 -12.556  -3.674
  437   1HG   GLN 707          2HG       GLN 707 -19.386 -11.116  -5.394
  438   2HG   GLN 707          1HG       GLN 707 -18.847 -10.459  -3.850
  439   1HE2  GLN 707          1HE2      GLN 707 -17.612 -12.977  -6.026
  440   2HE2  GLN 707          2HE2      GLN 707 -16.020 -12.318  -6.162
  Start of MODEL    8
    1    H    THR1101           H        THR1101  -9.501  10.850   7.524
    2    HA   THR1101           HA       THR1101  -9.705  12.238   5.467
    3    HB   THR1101           HB       THR1101  -6.932  11.241   4.914
    4    HG1  THR1101           1HG      THR1101  -7.537  13.759   6.070
    5   1HG2  THR1101          1HG2      THR1101  -8.044  12.045   2.990
    6   2HG2  THR1101          2HG2      THR1101  -6.894  13.289   3.476
    7   3HG2  THR1101          3HG2      THR1101  -8.608  13.485   3.836
    8    H    ILE1102           H        ILE1102  -8.113   9.262   6.441
    9    HA   ILE1102           HA       ILE1102  -9.865   7.787   4.612
   10    HB   ILE1102           HB       ILE1102  -6.952   7.069   4.909
   11   1HG1  ILE1102          2HG1      ILE1102  -8.234   8.427   2.532
   12   2HG1  ILE1102          1HG1      ILE1102  -7.314   9.290   3.761
   13   1HG2  ILE1102          1HG2      ILE1102  -9.173   6.108   3.121
   14   2HG2  ILE1102          2HG2      ILE1102  -8.271   5.185   4.323
   15   3HG2  ILE1102          3HG2      ILE1102  -7.474   5.728   2.847
   16   1HD1  ILE1102          1HD1      ILE1102  -6.346   8.081   1.445
   17   2HD1  ILE1102          2HD1      ILE1102  -5.809   7.054   2.775
   18   3HD1  ILE1102          3HD1      ILE1102  -5.408   8.772   2.768
   19    H    SER1103           H        SER1103 -10.075   5.503   5.176
   20    HA   SER1103           HA       SER1103 -10.485   5.132   7.941
   21   1HB   SER1103          2HB       SER1103 -10.278   2.879   5.947
   22   2HB   SER1103          1HB       SER1103 -11.282   2.973   7.394
   23    HG   SER1103           HG       SER1103 -12.321   4.810   6.249
   24    H    ASN1104           H        ASN1104  -9.620   2.976   8.974
   25    HA   ASN1104           HA       ASN1104  -6.720   3.248   9.017
   26   1HB   ASN1104          2HB       ASN1104  -8.788   2.314  10.903
   27   2HB   ASN1104          1HB       ASN1104  -7.269   1.426  10.958
   28   1HD2  ASN1104          1HD2      ASN1104  -5.335   2.594  11.395
   29   2HD2  ASN1104          2HD2      ASN1104  -5.390   4.075  12.285
   30    HA   PRO1105           HA       PRO1105  -6.508  -0.399   6.377
   31   1HB   PRO1105          2HB       PRO1105  -3.784  -0.504   6.277
   32   2HB   PRO1105          1HB       PRO1105  -4.753   0.582   5.276
   33   1HG   PRO1105          2HG       PRO1105  -3.292   1.154   7.823
   34   2HG   PRO1105          1HG       PRO1105  -3.391   2.131   6.346
   35   1HD   PRO1105          2HD       PRO1105  -4.876   2.680   8.529
   36   2HD   PRO1105          1HD       PRO1105  -5.481   2.958   6.883
   37    HA   PRO1106           HA       PRO1106  -5.987  -3.812   9.116
   38   1HB   PRO1106          2HB       PRO1106  -4.267  -5.028   7.008
   39   2HB   PRO1106          1HB       PRO1106  -5.690  -5.690   7.819
   40   1HG   PRO1106          2HG       PRO1106  -5.857  -4.795   5.322
   41   2HG   PRO1106          1HG       PRO1106  -7.170  -4.508   6.479
   42   1HD   PRO1106          2HD       PRO1106  -5.075  -2.628   5.478
   43   2HD   PRO1106          1HD       PRO1106  -6.780  -2.318   5.863
   44    HA   PRO1107           HA       PRO1107  -2.068  -3.594  11.130
   45   1HB   PRO1107          2HB       PRO1107  -1.616  -6.131  11.973
   46   2HB   PRO1107          1HB       PRO1107  -2.855  -5.092  12.687
   47   1HG   PRO1107          2HG       PRO1107  -3.148  -7.256  10.639
   48   2HG   PRO1107          1HG       PRO1107  -4.161  -6.909  12.053
   49   1HD   PRO1107          2HD       PRO1107  -4.846  -6.154   9.542
   50   2HD   PRO1107          1HD       PRO1107  -5.296  -5.215  10.979
   51    H    LEU1108           H        LEU1108   0.174  -4.125  11.036
   52    HA   LEU1108           HA       LEU1108   0.979  -5.151   8.416
   53   1HB   LEU1108          2HB       LEU1108   2.207  -3.340  10.442
   54   2HB   LEU1108          1HB       LEU1108   3.273  -4.235   9.376
   55    HG   LEU1108           HG       LEU1108   1.038  -2.558   8.274
   56   1HD1  LEU1108          1HD1      LEU1108   3.747  -1.404   8.329
   57   2HD1  LEU1108          2HD1      LEU1108   2.891  -1.432   9.870
   58   3HD1  LEU1108          3HD1      LEU1108   2.174  -0.623   8.477
   59   1HD2  LEU1108          1HD2      LEU1108   1.949  -2.982   6.270
   60   2HD2  LEU1108          2HD2      LEU1108   2.736  -4.330   7.090
   61   3HD2  LEU1108          3HD2      LEU1108   3.597  -2.808   6.873
   62    H    ILE1109           H        ILE1109   2.497  -6.790   8.156
   63    HA   ILE1109           HA       ILE1109   3.001  -8.410  10.566
   64    HB   ILE1109           HB       ILE1109   3.366 -10.238   8.659
   65   1HG1  ILE1109          2HG1      ILE1109   1.146  -8.556   7.495
   66   2HG1  ILE1109          1HG1      ILE1109   2.797  -8.517   6.892
   67   1HG2  ILE1109          1HG2      ILE1109   1.401 -11.188   9.374
   68   2HG2  ILE1109          2HG2      ILE1109   0.526  -9.655   9.350
   69   3HG2  ILE1109          3HG2      ILE1109   1.674  -9.997  10.646
   70   1HD1  ILE1109          1HD1      ILE1109   1.130 -10.005   5.682
   71   2HD1  ILE1109          2HD1      ILE1109   1.257 -11.075   7.077
   72   3HD1  ILE1109          3HD1      ILE1109   2.687 -10.712   6.111
   73    H    SER1110           H        SER1110   5.054  -8.582  11.169
   74    HA   SER1110           HA       SER1110   7.154  -7.621   9.426
   75   1HB   SER1110          2HB       SER1110   8.497  -8.456  11.605
   76   2HB   SER1110          1HB       SER1110   7.686  -6.894  11.524
   77    HG   SER1110           HG       SER1110   7.250  -8.401  13.389
   78    H    SER1111           H        SER1111   8.492  -8.833   8.252
   79    HA   SER1111           HA       SER1111   8.531 -11.738   8.754
   80   1HB   SER1111          2HB       SER1111   8.711 -12.126   6.378
   81   2HB   SER1111          1HB       SER1111   7.322 -11.076   6.660
   82    HG   SER1111           HG       SER1111   9.908 -10.272   5.808
   83    H    ALA1112           H        ALA1112  10.455 -12.571   9.209
   84    HA   ALA1112           HA       ALA1112  12.871 -11.719   7.961
   85   1HB   ALA1112          1HB       ALA1112  12.162 -10.594  10.594
   86   2HB   ALA1112          2HB       ALA1112  13.211  -9.954   9.329
   87   3HB   ALA1112          3HB       ALA1112  13.809 -11.200  10.424
   88    H    LYS1113           H        LYS1113  13.941 -13.560   7.719
   89    HA   LYS1113           HA       LYS1113  13.390 -15.850   9.358
   90   1HB   LYS1113          2HB       LYS1113  15.009 -15.286   6.929
   91   2HB   LYS1113          1HB       LYS1113  15.470 -16.682   7.895
   92   1HG   LYS1113          2HG       LYS1113  13.360 -17.707   7.584
   93   2HG   LYS1113          1HG       LYS1113  12.669 -16.233   6.903
   94   1HD   LYS1113          2HD       LYS1113  14.534 -16.501   5.112
   95   2HD   LYS1113          1HD       LYS1113  14.588 -18.174   5.672
   96   1HE   LYS1113          2HE       LYS1113  12.347 -18.559   5.052
   97   2HE   LYS1113          1HE       LYS1113  12.022 -16.837   4.859
   98   1HZ   LYS1113          1HZ       LYS1113  12.543 -18.454   2.827
   99   2HZ   LYS1113          2HZ       LYS1113  14.118 -17.948   3.176
  100   3HZ   LYS1113          3HZ       LYS1113  12.925 -16.806   2.809
  101    H    ASP 658           H        ASP 658   8.184 -11.247  -0.852
  102    HA   ASP 658           HA       ASP 658   7.597 -13.554  -2.551
  103   1HB   ASP 658          2HB       ASP 658   5.920 -11.958  -1.137
  104   2HB   ASP 658          1HB       ASP 658   5.868 -11.162  -2.707
  105    H    SER 659           H        SER 659   8.675 -10.235  -2.702
  106    HA   SER 659           HA       SER 659   9.261 -10.610  -5.551
  107   1HB   SER 659          2HB       SER 659   7.186  -9.281  -5.397
  108   2HB   SER 659          1HB       SER 659   8.021  -8.104  -4.385
  109    HG   SER 659           HG       SER 659   7.852  -7.751  -6.794
  110    H    SER 660           H        SER 660   9.607  -7.983  -3.164
  111    HA   SER 660           HA       SER 660  12.454  -8.322  -3.017
  112   1HB   SER 660          2HB       SER 660  13.117  -6.243  -4.030
  113   2HB   SER 660          1HB       SER 660  12.127  -7.114  -5.201
  114    HG   SER 660           HG       SER 660  11.619  -4.829  -4.908
  115    H    GLU 661           H        GLU 661  13.464  -6.724  -1.567
  116    HA   GLU 661           HA       GLU 661  11.569  -5.938   0.518
  117   1HB   GLU 661          2HB       GLU 661  13.788  -7.338   0.820
  118   2HB   GLU 661          1HB       GLU 661  14.530  -5.744   0.862
  119   1HG   GLU 661          2HG       GLU 661  14.005  -5.573   2.998
  120   2HG   GLU 661          1HG       GLU 661  12.296  -5.648   2.574
  121    H    SER 662           H        SER 662  10.814  -3.933   0.339
  122    HA   SER 662           HA       SER 662  12.489  -1.679   0.519
  123   1HB   SER 662          2HB       SER 662  11.480  -0.809  -1.835
  124   2HB   SER 662          1HB       SER 662  13.071  -1.552  -1.674
  125    HG   SER 662           HG       SER 662  12.122  -2.708  -3.247
  126    H    CYS 663           H        CYS 663  11.359  -0.011   1.343
  127    HA   CYS 663           HA       CYS 663   8.642  -0.357   2.037
  128   1HB   CYS 663          2HB       CYS 663  10.465   1.009   3.228
  129   2HB   CYS 663          1HB       CYS 663  10.094   2.274   2.065
  130    H    TRP 664           H        TRP 664   6.852   0.097   0.943
  131    HA   TRP 664           HA       TRP 664   6.879   1.012  -1.710
  132   1HB   TRP 664          2HB       TRP 664   4.665   0.689   0.307
  133   2HB   TRP 664          1HB       TRP 664   4.356   1.262  -1.329
  134    HD1  TRP 664           HD       TRP 664   6.873  -1.541  -0.576
  135    HE1  TRP 664           1HE      TRP 664   6.022  -3.713  -1.657
  136    HE3  TRP 664           3HE      TRP 664   2.285   0.081  -2.147
  137    HZ2  TRP 664           2HZ      TRP 664   3.704  -4.621  -3.005
  138    HZ3  TRP 664           3HZ      TRP 664   0.813  -1.502  -3.322
  139    HH2  TRP 664           HH       TRP 664   1.506  -3.799  -3.741
  140    H    ASN 665           H        ASN 665   6.767   2.733   1.282
  141    HA   ASN 665           HA       ASN 665   5.925   5.207  -0.045
  142   1HB   ASN 665          2HB       ASN 665   4.691   4.978   1.916
  143   2HB   ASN 665          1HB       ASN 665   6.047   4.300   2.811
  144   1HD2  ASN 665          1HD2      ASN 665   6.744   5.595   4.332
  145   2HD2  ASN 665          2HD2      ASN 665   6.793   7.320   4.270
  146    H    CYS 666           H        CYS 666   8.380   4.308   2.392
  147    HA   CYS 666           HA       CYS 666   9.953   6.572   2.143
  148   1HB   CYS 666          2HB       CYS 666  10.642   3.763   2.975
  149   2HB   CYS 666          1HB       CYS 666  11.828   5.060   3.003
  150    H    GLY 667           H        GLY 667  10.696   3.378   0.665
  151   1HA   GLY 667          2HA       GLY 667  11.319   3.163  -1.629
  152   2HA   GLY 667          1HA       GLY 667  11.849   4.839  -1.610
  153    H    ARG 668           H        ARG 668  12.696   2.760   1.029
  154    HA   ARG 668           HA       ARG 668  15.420   2.492  -0.055
  155   1HB   ARG 668          2HB       ARG 668  14.598   4.006   2.202
  156   2HB   ARG 668          1HB       ARG 668  15.490   2.617   2.804
  157   1HG   ARG 668          2HG       ARG 668  17.420   3.204   1.555
  158   2HG   ARG 668          1HG       ARG 668  16.534   4.428   0.644
  159   1HD   ARG 668          2HD       ARG 668  16.793   5.965   2.250
  160   2HD   ARG 668          1HD       ARG 668  16.403   4.819   3.532
  161    HE   ARG 668           HE       ARG 668  18.961   4.223   2.586
  162   1HH1  ARG 668          1HH1      ARG 668  17.315   6.786   4.289
  163   2HH1  ARG 668          2HH1      ARG 668  18.729   7.291   5.152
  164   1HH2  ARG 668          1HH2      ARG 668  20.823   4.885   3.719
  165   2HH2  ARG 668          2HH2      ARG 668  20.721   6.213   4.828
  166    H    LYS 669           H        LYS 669  13.535   1.384   2.770
  167    HA   LYS 669           HA       LYS 669  13.740  -1.359   1.942
  168   1HB   LYS 669          2HB       LYS 669  15.126  -2.195   3.663
  169   2HB   LYS 669          1HB       LYS 669  15.982  -0.810   3.003
  170   1HG   LYS 669          2HG       LYS 669  16.251  -0.449   5.241
  171   2HG   LYS 669          1HG       LYS 669  14.775   0.473   4.943
  172   1HD   LYS 669          2HD       LYS 669  13.867  -0.720   6.602
  173   2HD   LYS 669          1HD       LYS 669  13.844  -2.072   5.468
  174   1HE   LYS 669          2HE       LYS 669  16.270  -1.479   7.125
  175   2HE   LYS 669          1HE       LYS 669  14.927  -2.414   7.782
  176   1HZ   LYS 669          1HZ       LYS 669  15.308  -3.665   5.471
  177   2HZ   LYS 669          2HZ       LYS 669  16.085  -4.113   6.904
  178   3HZ   LYS 669          3HZ       LYS 669  16.892  -3.149   5.772
  179    H    ALA 670           H        ALA 670  12.465  -2.779   3.201
  180    HA   ALA 670           HA       ALA 670  10.843  -1.593   5.326
  181   1HB   ALA 670          1HB       ALA 670   9.242  -1.198   3.778
  182   2HB   ALA 670          2HB       ALA 670   8.884  -2.902   4.056
  183   3HB   ALA 670          3HB       ALA 670   9.859  -2.420   2.667
  184    H    SER 671           H        SER 671  10.094  -3.047   6.842
  185    HA   SER 671           HA       SER 671  10.941  -5.846   6.469
  186   1HB   SER 671          2HB       SER 671  11.307  -3.968   8.745
  187   2HB   SER 671          1HB       SER 671  10.964  -5.652   9.141
  188    HG   SER 671           HG       SER 671  13.211  -5.245   8.929
  189    H    GLU 672           H        GLU 672   8.278  -3.877   6.793
  190    HA   GLU 672           HA       GLU 672   6.713  -5.991   8.115
  191   1HB   GLU 672          2HB       GLU 672   5.616  -3.246   7.644
  192   2HB   GLU 672          1HB       GLU 672   5.213  -4.404   8.900
  193   1HG   GLU 672          2HG       GLU 672   7.914  -3.122   8.822
  194   2HG   GLU 672          1HG       GLU 672   6.532  -2.285   9.527
  195    H    THR 673           H        THR 673   4.589  -6.445   7.254
  196    HA   THR 673           HA       THR 673   4.289  -5.801   4.404
  197    HB   THR 673           HB       THR 673   4.108  -8.550   5.655
  198    HG1  THR 673           1HG      THR 673   5.828  -8.999   4.342
  199   1HG2  THR 673          1HG2      THR 673   3.497  -9.450   3.551
  200   2HG2  THR 673          2HG2      THR 673   3.648  -7.879   2.761
  201   3HG2  THR 673          3HG2      THR 673   2.347  -8.163   3.918
  202    H    CYS 674           H        CYS 674   2.235  -5.491   3.689
  203    HA   CYS 674           HA       CYS 674   0.218  -4.932   5.606
  204   1HB   CYS 674          2HB       CYS 674   0.354  -3.705   3.501
  205   2HB   CYS 674          1HB       CYS 674   0.065  -5.184   2.594
  206    H    SER 675           H        SER 675  -0.664  -6.553   6.741
  207    HA   SER 675           HA       SER 675  -0.950  -9.202   5.799
  208   1HB   SER 675          2HB       SER 675  -1.926  -9.693   7.884
  209   2HB   SER 675          1HB       SER 675  -0.817  -8.365   8.227
  210    HG   SER 675           HG       SER 675  -2.458  -7.080   8.630
  211    H    GLY 676           H        GLY 676  -2.778  -6.471   5.070
  212   1HA   GLY 676          2HA       GLY 676  -5.350  -7.756   4.901
  213   2HA   GLY 676          1HA       GLY 676  -4.935  -6.164   4.285
  214    H    CYS 677           H        CYS 677  -2.895  -6.740   2.540
  215    HA   CYS 677           HA       CYS 677  -4.274  -8.382   0.526
  216   1HB   CYS 677          2HB       CYS 677  -3.017  -7.008  -1.143
  217   2HB   CYS 677          1HB       CYS 677  -4.160  -6.088  -0.169
  218    H    ASN 678           H        ASN 678  -1.506  -8.177   2.478
  219    HA   ASN 678           HA       ASN 678   0.396  -9.408   2.640
  220   1HB   ASN 678          2HB       ASN 678  -0.780 -11.308   0.617
  221   2HB   ASN 678          1HB       ASN 678   0.343 -11.666   1.924
  222   1HD2  ASN 678          1HD2      ASN 678  -2.953 -11.090   1.052
  223   2HD2  ASN 678          2HD2      ASN 678  -3.654 -11.575   2.555
  224    H    THR 679           H        THR 679  -0.022  -7.406   0.413
  225    HA   THR 679           HA       THR 679   2.155  -8.349  -1.332
  226    HB   THR 679           HB       THR 679  -0.174  -6.552  -2.017
  227    HG1  THR 679           1HG      THR 679  -0.908  -8.233  -3.152
  228   1HG2  THR 679          1HG2      THR 679   2.389  -6.814  -3.317
  229   2HG2  THR 679          2HG2      THR 679   1.061  -5.699  -3.642
  230   3HG2  THR 679          3HG2      THR 679   1.065  -7.306  -4.372
  231    H    ALA 680           H        ALA 680   0.754  -5.603   0.352
  232    HA   ALA 680           HA       ALA 680   2.764  -3.743  -0.447
  233   1HB   ALA 680          1HB       ALA 680   1.185  -2.362   0.262
  234   2HB   ALA 680          2HB       ALA 680   1.573  -2.821   1.920
  235   3HB   ALA 680          3HB       ALA 680   0.318  -3.688   1.036
  236    H    ARG 681           H        ARG 681   4.333  -2.742   0.883
  237    HA   ARG 681           HA       ARG 681   5.145  -4.209   3.286
  238   1HB   ARG 681          2HB       ARG 681   6.921  -3.575   0.922
  239   2HB   ARG 681          1HB       ARG 681   7.531  -4.067   2.497
  240   1HG   ARG 681          2HG       ARG 681   5.501  -5.832   1.295
  241   2HG   ARG 681          1HG       ARG 681   7.064  -5.769   0.477
  242   1HD   ARG 681          2HD       ARG 681   7.032  -6.067   3.434
  243   2HD   ARG 681          1HD       ARG 681   6.590  -7.463   2.455
  244    HE   ARG 681           HE       ARG 681   9.206  -6.251   2.696
  245   1HH1  ARG 681          1HH1      ARG 681   7.155  -8.406   0.865
  246   2HH1  ARG 681          2HH1      ARG 681   8.481  -9.258   0.150
  247   1HH2  ARG 681          1HH2      ARG 681  10.948  -7.374   1.753
  248   2HH2  ARG 681          2HH2      ARG 681  10.633  -8.673   0.652
  249    H    TYR 682           H        TYR 682   6.091  -2.939   4.860
  250    HA   TYR 682           HA       TYR 682   6.893  -0.223   4.252
  251   1HB   TYR 682          2HB       TYR 682   4.540  -0.835   6.048
  252   2HB   TYR 682          1HB       TYR 682   5.375   0.714   6.026
  253    HD1  TYR 682           1HD      TYR 682   5.395   2.041   3.865
  254    HD2  TYR 682           2HD      TYR 682   2.862  -1.323   4.471
  255    HE1  TYR 682           1HE      TYR 682   3.966   2.790   2.008
  256    HE2  TYR 682           2HE      TYR 682   1.426  -0.584   2.617
  257    HH   TYR 682           HH       TYR 682   2.356   1.806   0.412
  258    H    CYS 683           H        CYS 683   8.175   0.716   5.884
  259    HA   CYS 683           HA       CYS 683   9.299  -1.245   7.718
  260   1HB   CYS 683          2HB       CYS 683  11.183   0.226   7.934
  261   2HB   CYS 683          1HB       CYS 683  10.783   0.100   6.226
  262    H    GLY 684           H        GLY 684   7.169   1.460   7.790
  263   1HA   GLY 684          2HA       GLY 684   7.042   1.217  10.695
  264   2HA   GLY 684          1HA       GLY 684   7.445   2.804  10.058
  265    H    SER 685           H        SER 685   5.137   1.948  11.632
  266    HA   SER 685           HA       SER 685   2.793   1.591  10.251
  267   1HB   SER 685          2HB       SER 685   1.733   2.931  12.158
  268   2HB   SER 685          1HB       SER 685   2.689   1.521  12.612
  269    HG   SER 685           HG       SER 685   4.135   2.779  13.514
  270    H    PHE 686           H        PHE 686   4.689   4.523  10.536
  271    HA   PHE 686           HA       PHE 686   2.648   6.261   9.553
  272   1HB   PHE 686          2HB       PHE 686   4.394   7.945   9.394
  273   2HB   PHE 686          1HB       PHE 686   4.533   7.083  10.922
  274    HD1  PHE 686           1HD      PHE 686   6.149   7.954   7.825
  275    HD2  PHE 686           2HD      PHE 686   6.324   5.372  11.203
  276    HE1  PHE 686           1HE      PHE 686   8.512   7.475   7.332
  277    HE2  PHE 686           2HE      PHE 686   8.686   4.887  10.716
  278    HZ   PHE 686           HZ       PHE 686   9.783   5.941   8.779
  279    H    CYS 687           H        CYS 687   5.251   4.405   8.096
  280    HA   CYS 687           HA       CYS 687   5.183   5.579   5.543
  281   1HB   CYS 687          2HB       CYS 687   5.887   2.717   6.197
  282   2HB   CYS 687          1HB       CYS 687   6.405   3.641   4.790
  283    H    GLN 688           H        GLN 688   3.417   2.824   6.892
  284    HA   GLN 688           HA       GLN 688   2.170   2.064   4.483
  285   1HB   GLN 688          2HB       GLN 688   0.707   0.711   5.809
  286   2HB   GLN 688          1HB       GLN 688   2.328   0.613   6.476
  287   1HG   GLN 688          2HG       GLN 688   1.611   1.281   8.455
  288   2HG   GLN 688          1HG       GLN 688   0.882   2.724   7.759
  289   1HE2  GLN 688          1HE2      GLN 688   0.050  -0.607   7.026
  290   2HE2  GLN 688          2HE2      GLN 688  -1.559  -0.530   7.637
  291    H    HIS 689           H        HIS 689   1.259   4.367   6.990
  292    HA   HIS 689           HA       HIS 689  -1.350   4.873   5.987
  293   1HB   HIS 689          2HB       HIS 689   0.441   6.089   8.017
  294   2HB   HIS 689          1HB       HIS 689  -0.839   7.111   7.371
  295    HD1  HIS 689           1HD      HIS 689  -1.563   6.871  10.026
  296    HD2  HIS 689           2HD      HIS 689  -2.130   3.580   7.556
  297    HE1  HIS 689           1HE      HIS 689  -3.226   5.413  11.224
  298    HE2  HIS 689           2HE      HIS 689  -3.474   3.378   9.758
  299    H    LYS 690           H        LYS 690   1.803   6.337   5.440
  300    HA   LYS 690           HA       LYS 690   1.021   8.656   4.113
  301   1HB   LYS 690          2HB       LYS 690   3.379   7.766   4.846
  302   2HB   LYS 690          1HB       LYS 690   3.435   7.132   3.208
  303   1HG   LYS 690          2HG       LYS 690   3.163  10.008   4.044
  304   2HG   LYS 690          1HG       LYS 690   4.536   9.247   3.242
  305   1HD   LYS 690          2HD       LYS 690   1.778   9.629   2.079
  306   2HD   LYS 690          1HD       LYS 690   3.221  10.550   1.660
  307   1HE   LYS 690          2HE       LYS 690   3.773   7.754   1.391
  308   2HE   LYS 690          1HE       LYS 690   2.295   8.141   0.515
  309   1HZ   LYS 690          1HZ       LYS 690   4.719   8.442  -0.513
  310   2HZ   LYS 690          2HZ       LYS 690   4.512   9.983   0.152
  311   3HZ   LYS 690          3HZ       LYS 690   3.397   9.393  -0.976
  312    H    ASP 691           H        ASP 691   1.870   5.497   2.716
  313    HA   ASP 691           HA       ASP 691   0.931   6.327   0.104
  314   1HB   ASP 691          2HB       ASP 691   2.372   3.971   1.210
  315   2HB   ASP 691          1HB       ASP 691   1.427   3.721  -0.254
  316    H    TRP 692           H        TRP 692  -0.483   5.059   2.878
  317    HA   TRP 692           HA       TRP 692  -2.240   3.134   2.125
  318   1HB   TRP 692          2HB       TRP 692  -2.091   3.984   4.412
  319   2HB   TRP 692          1HB       TRP 692  -2.851   5.492   3.915
  320    HD1  TRP 692           HD       TRP 692  -5.123   5.419   5.132
  321    HE1  TRP 692           1HE      TRP 692  -7.104   3.774   5.195
  322    HE3  TRP 692           3HE      TRP 692  -3.050   1.533   2.529
  323    HZ2  TRP 692           2HZ      TRP 692  -7.709   1.184   4.263
  324    HZ3  TRP 692           3HZ      TRP 692  -4.398  -0.487   2.156
  325    HH2  TRP 692           HH       TRP 692  -6.680  -0.659   3.008
  326    H    GLU 693           H        GLU 693  -2.694   6.631   1.608
  327    HA   GLU 693           HA       GLU 693  -5.266   6.602   0.628
  328   1HB   GLU 693          2HB       GLU 693  -4.907   8.770   0.222
  329   2HB   GLU 693          1HB       GLU 693  -3.313   8.502   0.911
  330   1HG   GLU 693          2HG       GLU 693  -2.456   8.064  -1.372
  331   2HG   GLU 693          1HG       GLU 693  -4.049   8.473  -2.007
  332    H    LYS 694           H        LYS 694  -2.257   5.993  -1.158
  333    HA   LYS 694           HA       LYS 694  -3.739   5.525  -3.603
  334   1HB   LYS 694          2HB       LYS 694  -1.512   5.109  -4.593
  335   2HB   LYS 694          1HB       LYS 694  -1.620   6.668  -3.792
  336   1HG   LYS 694          2HG       LYS 694  -0.433   5.785  -1.866
  337   2HG   LYS 694          1HG       LYS 694  -0.357   4.195  -2.629
  338   1HD   LYS 694          2HD       LYS 694   1.716   5.052  -3.157
  339   2HD   LYS 694          1HD       LYS 694   0.779   5.513  -4.580
  340   1HE   LYS 694          2HE       LYS 694   0.637   7.740  -3.918
  341   2HE   LYS 694          1HE       LYS 694   1.008   7.362  -2.236
  342   1HZ   LYS 694          1HZ       LYS 694   2.848   8.444  -3.472
  343   2HZ   LYS 694          2HZ       LYS 694   2.952   7.075  -4.459
  344   3HZ   LYS 694          3HZ       LYS 694   3.269   6.947  -2.803
  345    H    HIS 695           H        HIS 695  -1.763   3.649  -1.320
  346    HA   HIS 695           HA       HIS 695  -1.882   1.212  -2.666
  347   1HB   HIS 695          2HB       HIS 695  -0.297   1.577  -0.881
  348   2HB   HIS 695          1HB       HIS 695  -1.601   1.769   0.289
  349    HD1  HIS 695           1HD      HIS 695  -0.771  -0.981  -2.235
  350    HD2  HIS 695           2HD      HIS 695  -1.757  -0.448   1.764
  351    HE1  HIS 695           1HE      HIS 695  -0.906  -3.294  -1.228
  352    H    HIS 696           H        HIS 696  -4.135   2.570  -0.269
  353    HA   HIS 696           HA       HIS 696  -5.602   0.293   0.219
  354   1HB   HIS 696          2HB       HIS 696  -7.367   1.658   1.045
  355   2HB   HIS 696          1HB       HIS 696  -5.843   2.415   1.470
  356    HD1  HIS 696           1HD      HIS 696  -8.210   2.759  -1.514
  357    HD2  HIS 696           2HD      HIS 696  -6.104   5.050   1.231
  358    HE1  HIS 696           1HE      HIS 696  -8.763   5.153  -2.060
  359    HE2  HIS 696           2HE      HIS 696  -7.546   6.513  -0.334
  360    H    HIS 697           H        HIS 697  -5.669   2.269  -2.676
  361    HA   HIS 697           HA       HIS 697  -8.183   1.459  -3.654
  362   1HB   HIS 697          2HB       HIS 697  -5.715   1.992  -5.319
  363   2HB   HIS 697          1HB       HIS 697  -7.390   2.115  -5.834
  364    HD1  HIS 697           1HD      HIS 697  -8.709   4.000  -4.065
  365    HD2  HIS 697           2HD      HIS 697  -4.692   4.446  -5.028
  366    HE1  HIS 697           1HE      HIS 697  -8.186   6.430  -3.675
  367    HE2  HIS 697           2HE      HIS 697  -5.773   6.692  -4.346
  368    H    ILE 698           H        ILE 698  -5.040  -0.102  -3.567
  369    HA   ILE 698           HA       ILE 698  -6.077  -2.335  -5.164
  370    HB   ILE 698           HB       ILE 698  -3.774  -3.060  -5.425
  371   1HG1  ILE 698          2HG1      ILE 698  -2.636  -0.579  -4.287
  372   2HG1  ILE 698          1HG1      ILE 698  -3.241  -1.745  -3.114
  373   1HG2  ILE 698          1HG2      ILE 698  -4.377  -0.200  -6.099
  374   2HG2  ILE 698          2HG2      ILE 698  -4.515  -1.625  -7.129
  375   3HG2  ILE 698          3HG2      ILE 698  -2.924  -1.022  -6.664
  376   1HD1  ILE 698          1HD1      ILE 698  -1.815  -3.345  -4.770
  377   2HD1  ILE 698          2HD1      ILE 698  -1.203  -2.630  -3.278
  378   3HD1  ILE 698          3HD1      ILE 698  -0.880  -1.852  -4.827
  379    H    CYS 699           H        CYS 699  -5.746  -1.560  -1.933
  380    HA   CYS 699           HA       CYS 699  -4.632  -3.915  -0.880
  381   1HB   CYS 699          2HB       CYS 699  -5.252  -1.603   0.236
  382   2HB   CYS 699          1HB       CYS 699  -6.741  -2.451   0.640
  383    H    GLY 700           H        GLY 700  -5.406  -5.817  -1.579
  384   1HA   GLY 700          2HA       GLY 700  -7.959  -6.517  -2.307
  385   2HA   GLY 700          1HA       GLY 700  -6.797  -7.640  -1.618
  386    H    GLN 701           H        GLN 701  -6.736  -6.055   0.918
  387    HA   GLN 701           HA       GLN 701  -8.601  -7.538   2.373
  388   1HB   GLN 701          2HB       GLN 701  -6.462  -6.046   3.040
  389   2HB   GLN 701          1HB       GLN 701  -7.744  -4.941   3.512
  390   1HG   GLN 701          2HG       GLN 701  -7.682  -7.801   4.417
  391   2HG   GLN 701          1HG       GLN 701  -6.853  -6.513   5.289
  392   1HE2  GLN 701          1HE2      GLN 701  -9.402  -8.321   5.566
  393   2HE2  GLN 701          2HE2      GLN 701 -10.564  -7.213   6.205
  394    H    THR 702           H        THR 702  -8.664  -3.989   1.991
  395    HA   THR 702           HA       THR 702 -11.267  -3.625   2.886
  396    HB   THR 702           HB       THR 702  -9.609  -1.809   2.584
  397    HG1  THR 702           1HG      THR 702 -11.914  -1.401   2.684
  398   1HG2  THR 702          1HG2      THR 702 -10.277  -2.042  -0.340
  399   2HG2  THR 702          2HG2      THR 702  -8.712  -2.368   0.404
  400   3HG2  THR 702          3HG2      THR 702  -9.368  -0.731   0.412
  401    H    LEU 703           H        LEU 703 -13.215  -3.093   1.734
  402    HA   LEU 703           HA       LEU 703 -14.867  -3.518   0.233
  403   1HB   LEU 703          2HB       LEU 703 -12.516  -2.901  -1.347
  404   2HB   LEU 703          1HB       LEU 703 -13.580  -4.005  -2.196
  405    HG   LEU 703           HG       LEU 703 -14.633  -1.471  -0.976
  406   1HD1  LEU 703          1HD1      LEU 703 -12.934  -0.638  -2.374
  407   2HD1  LEU 703          2HD1      LEU 703 -14.415  -0.541  -3.326
  408   3HD1  LEU 703          3HD1      LEU 703 -13.260  -1.840  -3.623
  409   1HD2  LEU 703          1HD2      LEU 703 -15.606  -3.578  -2.805
  410   2HD2  LEU 703          2HD2      LEU 703 -16.082  -1.922  -3.180
  411   3HD2  LEU 703          3HD2      LEU 703 -16.478  -2.618  -1.610
  412    H    GLN 704           H        GLN 704 -15.913  -5.222  -0.922
  413    HA   GLN 704           HA       GLN 704 -14.567  -7.711  -1.387
  414   1HB   GLN 704          2HB       GLN 704 -16.116  -8.960   0.224
  415   2HB   GLN 704          1HB       GLN 704 -14.749  -8.102   0.922
  416   1HG   GLN 704          2HG       GLN 704 -16.228  -6.243   1.516
  417   2HG   GLN 704          1HG       GLN 704 -17.595  -7.125   0.836
  418   1HE2  GLN 704          1HE2      GLN 704 -17.021  -6.169   3.580
  419   2HE2  GLN 704          2HE2      GLN 704 -17.168  -7.564   4.588
  420    H    ALA 705           H        ALA 705 -17.693  -6.114  -0.875
  421    HA   ALA 705           HA       ALA 705 -19.648  -6.174  -2.037
  422   1HB   ALA 705          1HB       ALA 705 -19.457  -5.928  -4.275
  423   2HB   ALA 705          2HB       ALA 705 -18.447  -7.362  -4.456
  424   3HB   ALA 705          3HB       ALA 705 -17.737  -5.849  -3.895
  425    H    GLN 706           H        GLN 706 -20.918  -7.778  -3.684
  426    HA   GLN 706           HA       GLN 706 -20.482 -10.549  -2.856
  427   1HB   GLN 706          2HB       GLN 706 -23.050  -9.013  -2.449
  428   2HB   GLN 706          1HB       GLN 706 -22.938 -10.766  -2.363
  429   1HG   GLN 706          2HG       GLN 706 -21.939 -10.742  -0.344
  430   2HG   GLN 706          1HG       GLN 706 -21.043  -9.261  -0.681
  431   1HE2  GLN 706          1HE2      GLN 706 -22.635 -10.084   1.659
  432   2HE2  GLN 706          2HE2      GLN 706 -23.806  -8.834   1.884
  433    H    GLN 707           H        GLN 707 -21.744 -12.095  -4.131
  434    HA   GLN 707           HA       GLN 707 -22.898 -11.096  -6.606
  435   1HB   GLN 707          2HB       GLN 707 -20.222 -12.187  -6.438
  436   2HB   GLN 707          1HB       GLN 707 -21.234 -13.171  -7.485
  437   1HG   GLN 707          2HG       GLN 707 -21.789 -11.218  -8.817
  438   2HG   GLN 707          1HG       GLN 707 -20.828 -10.199  -7.745
  439   1HE2  GLN 707          1HE2      GLN 707 -20.557 -13.088  -9.780
  440   2HE2  GLN 707          2HE2      GLN 707 -18.956 -12.757 -10.337
  Start of MODEL    9
    1    H    THR1101           H        THR1101  -9.399  12.279   4.690
    2    HA   THR1101           HA       THR1101  -8.613  11.219   6.561
    3    HB   THR1101           HB       THR1101 -10.311  10.423   8.298
    4    HG1  THR1101           1HG      THR1101 -11.907  12.409   7.058
    5   1HG2  THR1101          1HG2      THR1101 -10.662  13.198   8.714
    6   2HG2  THR1101          2HG2      THR1101  -9.055  12.943   8.034
    7   3HG2  THR1101          3HG2      THR1101  -9.536  12.096   9.505
    8    H    ILE1102           H        ILE1102  -8.068   9.281   5.817
    9    HA   ILE1102           HA       ILE1102  -9.998   7.684   4.342
   10    HB   ILE1102           HB       ILE1102  -7.114   6.994   4.881
   11   1HG1  ILE1102          2HG1      ILE1102  -8.218   8.505   2.505
   12   2HG1  ILE1102          1HG1      ILE1102  -7.348   9.256   3.839
   13   1HG2  ILE1102          1HG2      ILE1102  -8.316   5.123   4.066
   14   2HG2  ILE1102          2HG2      ILE1102  -7.411   5.771   2.698
   15   3HG2  ILE1102          3HG2      ILE1102  -9.138   6.096   2.846
   16   1HD1  ILE1102          1HD1      ILE1102  -6.277   8.215   1.497
   17   2HD1  ILE1102          2HD1      ILE1102  -5.850   7.054   2.755
   18   3HD1  ILE1102          3HD1      ILE1102  -5.397   8.750   2.928
   19    H    SER1103           H        SER1103 -10.213   5.367   4.756
   20    HA   SER1103           HA       SER1103 -10.957   4.816   7.397
   21   1HB   SER1103          2HB       SER1103 -10.684   3.237   4.896
   22   2HB   SER1103          1HB       SER1103 -10.730   2.328   6.406
   23    HG   SER1103           HG       SER1103 -12.802   2.940   5.240
   24    H    ASN1104           H        ASN1104 -10.100   2.654   8.454
   25    HA   ASN1104           HA       ASN1104  -7.269   3.131   8.976
   26   1HB   ASN1104          2HB       ASN1104  -7.615   1.692  10.953
   27   2HB   ASN1104          1HB       ASN1104  -8.750   3.039  10.911
   28   1HD2  ASN1104          1HD2      ASN1104  -8.357  -0.372  10.803
   29   2HD2  ASN1104          2HD2      ASN1104 -10.034  -0.786  10.799
   30    HA   PRO1105           HA       PRO1105  -6.440  -0.399   6.287
   31   1HB   PRO1105          2HB       PRO1105  -3.726  -0.265   6.504
   32   2HB   PRO1105          1HB       PRO1105  -4.665   0.762   5.416
   33   1HG   PRO1105          2HG       PRO1105  -3.564   1.383   8.130
   34   2HG   PRO1105          1HG       PRO1105  -3.577   2.390   6.670
   35   1HD   PRO1105          2HD       PRO1105  -5.347   2.745   8.674
   36   2HD   PRO1105          1HD       PRO1105  -5.778   3.024   6.974
   37    HA   PRO1106           HA       PRO1106  -6.057  -3.734   9.167
   38   1HB   PRO1106          2HB       PRO1106  -4.340  -5.005   7.092
   39   2HB   PRO1106          1HB       PRO1106  -5.779  -5.633   7.902
   40   1HG   PRO1106          2HG       PRO1106  -5.908  -4.781   5.385
   41   2HG   PRO1106          1HG       PRO1106  -7.231  -4.464   6.522
   42   1HD   PRO1106          2HD       PRO1106  -5.109  -2.618   5.516
   43   2HD   PRO1106          1HD       PRO1106  -6.817  -2.289   5.874
   44    HA   PRO1107           HA       PRO1107  -2.133  -3.526  11.177
   45   1HB   PRO1107          2HB       PRO1107  -1.678  -6.059  12.026
   46   2HB   PRO1107          1HB       PRO1107  -2.917  -5.019  12.739
   47   1HG   PRO1107          2HG       PRO1107  -3.212  -7.192  10.701
   48   2HG   PRO1107          1HG       PRO1107  -4.224  -6.838  12.113
   49   1HD   PRO1107          2HD       PRO1107  -4.908  -6.095   9.598
   50   2HD   PRO1107          1HD       PRO1107  -5.361  -5.152  11.031
   51    H    LEU1108           H        LEU1108   0.109  -4.048  11.076
   52    HA   LEU1108           HA       LEU1108   0.908  -5.084   8.459
   53   1HB   LEU1108          2HB       LEU1108   2.138  -3.263  10.472
   54   2HB   LEU1108          1HB       LEU1108   3.207  -4.167   9.416
   55    HG   LEU1108           HG       LEU1108   0.998  -2.375   8.409
   56   1HD1  LEU1108          1HD1      LEU1108   3.918  -1.688   8.413
   57   2HD1  LEU1108          2HD1      LEU1108   2.864  -1.248   9.757
   58   3HD1  LEU1108          3HD1      LEU1108   2.531  -0.635   8.137
   59   1HD2  LEU1108          1HD2      LEU1108   3.424  -3.433   6.973
   60   2HD2  LEU1108          2HD2      LEU1108   2.033  -2.596   6.283
   61   3HD2  LEU1108          3HD2      LEU1108   1.849  -4.225   6.935
   62    H    ILE1109           H        ILE1109   2.428  -6.723   8.200
   63    HA   ILE1109           HA       ILE1109   2.936  -8.337  10.614
   64    HB   ILE1109           HB       ILE1109   3.286 -10.177   8.719
   65   1HG1  ILE1109          2HG1      ILE1109   1.088  -8.476   7.540
   66   2HG1  ILE1109          1HG1      ILE1109   2.739  -8.474   6.935
   67   1HG2  ILE1109          1HG2      ILE1109   1.596  -9.918  10.702
   68   2HG2  ILE1109          2HG2      ILE1109   1.309 -11.107   9.430
   69   3HG2  ILE1109          3HG2      ILE1109   0.450  -9.566   9.406
   70   1HD1  ILE1109          1HD1      ILE1109   2.235 -10.191   5.647
   71   2HD1  ILE1109          2HD1      ILE1109   0.614 -10.264   6.338
   72   3HD1  ILE1109          3HD1      ILE1109   1.933 -11.164   7.087
   73    H    SER1110           H        SER1110   4.991  -8.511  11.209
   74    HA   SER1110           HA       SER1110   7.087  -7.571   9.445
   75   1HB   SER1110          2HB       SER1110   8.495  -8.248  11.567
   76   2HB   SER1110          1HB       SER1110   7.489  -6.800  11.591
   77    HG   SER1110           HG       SER1110   6.140  -7.738  12.946
   78    H    SER1111           H        SER1111   8.416  -8.802   8.285
   79    HA   SER1111           HA       SER1111   8.572 -11.676   8.908
   80   1HB   SER1111          2HB       SER1111   8.807 -11.980   6.365
   81   2HB   SER1111          1HB       SER1111   7.195 -11.629   6.991
   82    HG   SER1111           HG       SER1111   8.991  -9.709   5.916
   83    H    ALA1112           H        ALA1112  10.578 -12.094   9.541
   84    HA   ALA1112           HA       ALA1112  12.808 -11.217   7.888
   85   1HB   ALA1112          1HB       ALA1112  13.154  -9.470   9.278
   86   2HB   ALA1112          2HB       ALA1112  13.941 -10.701  10.266
   87   3HB   ALA1112          3HB       ALA1112  12.282 -10.219  10.616
   88    H    LYS1113           H        LYS1113  13.002 -13.423   7.365
   89    HA   LYS1113           HA       LYS1113  13.899 -15.157   9.572
   90   1HB   LYS1113          2HB       LYS1113  12.714 -15.902   6.892
   91   2HB   LYS1113          1HB       LYS1113  13.323 -17.055   8.072
   92   1HG   LYS1113          2HG       LYS1113  11.574 -16.693   9.530
   93   2HG   LYS1113          1HG       LYS1113  11.209 -15.101   8.861
   94   1HD   LYS1113          2HD       LYS1113   9.796 -15.953   7.354
   95   2HD   LYS1113          1HD       LYS1113  10.932 -17.222   6.891
   96   1HE   LYS1113          2HE       LYS1113   9.003 -18.301   7.759
   97   2HE   LYS1113          1HE       LYS1113  10.265 -18.442   8.982
   98   1HZ   LYS1113          1HZ       LYS1113   9.155 -17.121  10.410
   99   2HZ   LYS1113          2HZ       LYS1113   7.806 -17.629   9.527
  100   3HZ   LYS1113          3HZ       LYS1113   8.513 -16.130   9.198
  101    H    ASP 658           H        ASP 658  18.990  -9.023  -3.517
  102    HA   ASP 658           HA       ASP 658  17.306  -7.472  -1.674
  103   1HB   ASP 658          2HB       ASP 658  19.791  -6.974  -1.423
  104   2HB   ASP 658          1HB       ASP 658  19.725  -6.306  -3.051
  105    H    SER 659           H        SER 659  15.537  -6.926  -2.755
  106    HA   SER 659           HA       SER 659  15.570  -5.342  -5.070
  107   1HB   SER 659          2HB       SER 659  15.416  -8.269  -5.496
  108   2HB   SER 659          1HB       SER 659  14.243  -7.300  -6.387
  109    HG   SER 659           HG       SER 659  16.894  -7.604  -6.818
  110    H    SER 660           H        SER 660  13.470  -8.010  -3.968
  111    HA   SER 660           HA       SER 660  11.084  -6.529  -4.266
  112   1HB   SER 660          2HB       SER 660  10.295  -8.435  -2.562
  113   2HB   SER 660          1HB       SER 660  10.609  -8.773  -4.265
  114    HG   SER 660           HG       SER 660  12.442  -9.770  -3.751
  115    H    GLU 661           H        GLU 661  13.311  -6.958  -1.600
  116    HA   GLU 661           HA       GLU 661  11.612  -5.885   0.416
  117   1HB   GLU 661          2HB       GLU 661  14.631  -5.918   0.429
  118   2HB   GLU 661          1HB       GLU 661  13.555  -5.868   1.820
  119   1HG   GLU 661          2HG       GLU 661  12.696  -8.142   0.841
  120   2HG   GLU 661          1HG       GLU 661  14.275  -8.151   0.055
  121    H    SER 662           H        SER 662  10.841  -3.879   0.274
  122    HA   SER 662           HA       SER 662  12.495  -1.625   0.484
  123   1HB   SER 662          2HB       SER 662  11.544  -0.688  -1.846
  124   2HB   SER 662          1HB       SER 662  13.104  -1.501  -1.711
  125    HG   SER 662           HG       SER 662  12.306  -3.236  -2.674
  126    H    CYS 663           H        CYS 663  11.354   0.003   1.351
  127    HA   CYS 663           HA       CYS 663   8.643  -0.349   2.027
  128   1HB   CYS 663          2HB       CYS 663  10.464   1.050   3.198
  129   2HB   CYS 663          1HB       CYS 663  10.050   2.305   2.041
  130    H    TRP 664           H        TRP 664   6.842   0.092   0.943
  131    HA   TRP 664           HA       TRP 664   6.851   0.994  -1.716
  132   1HB   TRP 664          2HB       TRP 664   4.650   0.658   0.314
  133   2HB   TRP 664          1HB       TRP 664   4.328   1.229  -1.319
  134    HD1  TRP 664           HD       TRP 664   6.858  -1.564  -0.568
  135    HE1  TRP 664           1HE      TRP 664   6.014  -3.739  -1.650
  136    HE3  TRP 664           3HE      TRP 664   2.272   0.049  -2.146
  137    HZ2  TRP 664           2HZ      TRP 664   3.700  -4.650  -3.002
  138    HZ3  TRP 664           3HZ      TRP 664   0.804  -1.536  -3.325
  139    HH2  TRP 664           HH       TRP 664   1.501  -3.832  -3.743
  140    H    ASN 665           H        ASN 665   6.789   2.724   1.263
  141    HA   ASN 665           HA       ASN 665   5.907   5.188  -0.060
  142   1HB   ASN 665          2HB       ASN 665   4.680   4.981   1.899
  143   2HB   ASN 665          1HB       ASN 665   6.021   4.268   2.788
  144   1HD2  ASN 665          1HD2      ASN 665   6.682   5.531   4.350
  145   2HD2  ASN 665          2HD2      ASN 665   6.782   7.255   4.304
  146    H    CYS 666           H        CYS 666   8.379   4.305   2.369
  147    HA   CYS 666           HA       CYS 666   9.938   6.579   2.105
  148   1HB   CYS 666          2HB       CYS 666  10.671   3.775   2.926
  149   2HB   CYS 666          1HB       CYS 666  11.822   5.102   2.976
  150    H    GLY 667           H        GLY 667  10.699   3.386   0.639
  151   1HA   GLY 667          2HA       GLY 667  11.298   3.180  -1.670
  152   2HA   GLY 667          1HA       GLY 667  11.841   4.850  -1.642
  153    H    ARG 668           H        ARG 668  12.678   2.730   0.971
  154    HA   ARG 668           HA       ARG 668  15.392   2.439  -0.129
  155   1HB   ARG 668          2HB       ARG 668  15.034   4.234   1.720
  156   2HB   ARG 668          1HB       ARG 668  14.920   2.856   2.806
  157   1HG   ARG 668          2HG       ARG 668  17.155   2.115   1.975
  158   2HG   ARG 668          1HG       ARG 668  17.262   3.636   1.089
  159   1HD   ARG 668          2HD       ARG 668  17.020   3.286   4.073
  160   2HD   ARG 668          1HD       ARG 668  18.435   3.847   3.184
  161    HE   ARG 668           HE       ARG 668  16.307   5.551   2.584
  162   1HH1  ARG 668          1HH1      ARG 668  18.285   4.675   5.323
  163   2HH1  ARG 668          2HH1      ARG 668  18.129   6.222   6.087
  164   1HH2  ARG 668          1HH2      ARG 668  16.102   7.586   3.588
  165   2HH2  ARG 668          2HH2      ARG 668  16.891   7.873   5.103
  166    H    LYS 669           H        LYS 669  13.556   1.376   2.746
  167    HA   LYS 669           HA       LYS 669  13.730  -1.380   1.925
  168   1HB   LYS 669          2HB       LYS 669  15.109  -2.206   3.652
  169   2HB   LYS 669          1HB       LYS 669  15.968  -0.820   2.996
  170   1HG   LYS 669          2HG       LYS 669  16.222  -0.437   5.226
  171   2HG   LYS 669          1HG       LYS 669  14.726   0.454   4.931
  172   1HD   LYS 669          2HD       LYS 669  13.799  -2.066   5.455
  173   2HD   LYS 669          1HD       LYS 669  15.201  -1.961   6.522
  174   1HE   LYS 669          2HE       LYS 669  12.920   0.011   6.393
  175   2HE   LYS 669          1HE       LYS 669  13.165  -1.206   7.646
  176   1HZ   LYS 669          1HZ       LYS 669  14.773   0.001   8.626
  177   2HZ   LYS 669          2HZ       LYS 669  14.015   1.300   7.853
  178   3HZ   LYS 669          3HZ       LYS 669  15.393   0.597   7.169
  179    H    ALA 670           H        ALA 670  12.446  -2.784   3.187
  180    HA   ALA 670           HA       ALA 670  10.811  -1.576   5.289
  181   1HB   ALA 670          1HB       ALA 670   8.869  -2.922   4.007
  182   2HB   ALA 670          2HB       ALA 670   9.850  -2.416   2.630
  183   3HB   ALA 670          3HB       ALA 670   9.205  -1.210   3.744
  184    H    SER 671           H        SER 671  10.060  -3.011   6.821
  185    HA   SER 671           HA       SER 671  10.911  -5.813   6.487
  186   1HB   SER 671          2HB       SER 671  12.352  -4.822   8.111
  187   2HB   SER 671          1HB       SER 671  10.998  -4.054   8.940
  188    HG   SER 671           HG       SER 671  11.144  -5.787  10.142
  189    H    GLU 672           H        GLU 672   8.246  -3.835   6.802
  190    HA   GLU 672           HA       GLU 672   6.683  -5.945   8.134
  191   1HB   GLU 672          2HB       GLU 672   5.602  -3.191   7.660
  192   2HB   GLU 672          1HB       GLU 672   5.176  -4.353   8.908
  193   1HG   GLU 672          2HG       GLU 672   7.886  -3.083   8.852
  194   2HG   GLU 672          1HG       GLU 672   6.503  -2.256   9.568
  195    H    THR 673           H        THR 673   4.558  -6.402   7.283
  196    HA   THR 673           HA       THR 673   4.254  -5.776   4.428
  197    HB   THR 673           HB       THR 673   4.068  -8.508   5.715
  198    HG1  THR 673           1HG      THR 673   5.749  -8.983   4.329
  199   1HG2  THR 673          1HG2      THR 673   3.537  -9.397   3.522
  200   2HG2  THR 673          2HG2      THR 673   3.452  -7.763   2.862
  201   3HG2  THR 673          3HG2      THR 673   2.279  -8.288   4.069
  202    H    CYS 674           H        CYS 674   2.204  -5.454   3.713
  203    HA   CYS 674           HA       CYS 674   0.189  -4.867   5.624
  204   1HB   CYS 674          2HB       CYS 674   0.322  -3.645   3.523
  205   2HB   CYS 674          1HB       CYS 674   0.059  -5.126   2.610
  206    H    SER 675           H        SER 675  -0.702  -6.477   6.767
  207    HA   SER 675           HA       SER 675  -0.997  -9.131   5.850
  208   1HB   SER 675          2HB       SER 675  -1.965  -9.598   7.935
  209   2HB   SER 675          1HB       SER 675  -0.891  -8.241   8.272
  210    HG   SER 675           HG       SER 675  -2.846  -6.910   7.896
  211    H    GLY 676           H        GLY 676  -2.814  -6.399   5.082
  212   1HA   GLY 676          2HA       GLY 676  -5.387  -7.679   4.905
  213   2HA   GLY 676          1HA       GLY 676  -4.962  -6.097   4.271
  214    H    CYS 677           H        CYS 677  -2.915  -6.693   2.548
  215    HA   CYS 677           HA       CYS 677  -4.282  -8.361   0.546
  216   1HB   CYS 677          2HB       CYS 677  -3.018  -7.008  -1.132
  217   2HB   CYS 677          1HB       CYS 677  -4.159  -6.072  -0.171
  218    H    ASN 678           H        ASN 678  -1.530  -8.144   2.515
  219    HA   ASN 678           HA       ASN 678   0.372  -9.371   2.700
  220   1HB   ASN 678          2HB       ASN 678  -1.315 -11.170   0.977
  221   2HB   ASN 678          1HB       ASN 678   0.334 -11.616   1.408
  222   1HD2  ASN 678          1HD2      ASN 678   0.850 -11.742   3.690
  223   2HD2  ASN 678          2HD2      ASN 678  -0.380 -12.216   4.807
  224    H    THR 679           H        THR 679  -0.034  -7.393   0.453
  225    HA   THR 679           HA       THR 679   2.150  -8.349  -1.277
  226    HB   THR 679           HB       THR 679  -0.169  -6.549  -1.983
  227    HG1  THR 679           1HG      THR 679  -0.940  -8.237  -3.052
  228   1HG2  THR 679          1HG2      THR 679   1.101  -7.365  -4.318
  229   2HG2  THR 679          2HG2      THR 679   2.393  -6.803  -3.257
  230   3HG2  THR 679          3HG2      THR 679   1.042  -5.737  -3.643
  231    H    ALA 680           H        ALA 680   0.746  -5.593   0.386
  232    HA   ALA 680           HA       ALA 680   2.754  -3.735  -0.418
  233   1HB   ALA 680          1HB       ALA 680   1.176  -2.350   0.288
  234   2HB   ALA 680          2HB       ALA 680   1.560  -2.808   1.948
  235   3HB   ALA 680          3HB       ALA 680   0.307  -3.675   1.061
  236    H    ARG 681           H        ARG 681   4.327  -2.730   0.908
  237    HA   ARG 681           HA       ARG 681   5.140  -4.194   3.313
  238   1HB   ARG 681          2HB       ARG 681   6.895  -3.584   0.931
  239   2HB   ARG 681          1HB       ARG 681   7.531  -4.026   2.509
  240   1HG   ARG 681          2HG       ARG 681   5.509  -5.857   1.413
  241   2HG   ARG 681          1HG       ARG 681   7.033  -5.780   0.525
  242   1HD   ARG 681          2HD       ARG 681   7.031  -6.072   3.502
  243   2HD   ARG 681          1HD       ARG 681   6.765  -7.479   2.473
  244    HE   ARG 681           HE       ARG 681   9.086  -5.947   1.752
  245   1HH1  ARG 681          1HH1      ARG 681   7.864  -8.484   3.812
  246   2HH1  ARG 681          2HH1      ARG 681   9.414  -9.224   4.030
  247   1HH2  ARG 681          1HH2      ARG 681  11.126  -6.919   2.039
  248   2HH2  ARG 681          2HH2      ARG 681  11.265  -8.336   3.025
  249    H    TYR 682           H        TYR 682   6.096  -2.925   4.885
  250    HA   TYR 682           HA       TYR 682   6.902  -0.211   4.272
  251   1HB   TYR 682          2HB       TYR 682   4.557  -0.813   6.083
  252   2HB   TYR 682          1HB       TYR 682   5.393   0.735   6.046
  253    HD1  TYR 682           1HD      TYR 682   2.873  -1.313   4.517
  254    HD2  TYR 682           2HD      TYR 682   5.398   2.051   3.879
  255    HE1  TYR 682           1HE      TYR 682   1.425  -0.585   2.668
  256    HE2  TYR 682           2HE      TYR 682   3.956   2.790   2.029
  257    HH   TYR 682           HH       TYR 682   2.319   1.648   0.402
  258    H    CYS 683           H        CYS 683   8.190   0.728   5.899
  259    HA   CYS 683           HA       CYS 683   9.319  -1.232   7.732
  260   1HB   CYS 683          2HB       CYS 683  11.200   0.252   7.946
  261   2HB   CYS 683          1HB       CYS 683  10.805   0.102   6.240
  262    H    GLY 684           H        GLY 684   7.178   1.459   7.811
  263   1HA   GLY 684          2HA       GLY 684   7.079   1.233  10.720
  264   2HA   GLY 684          1HA       GLY 684   7.459   2.820  10.067
  265    H    SER 685           H        SER 685   5.167   1.933  11.663
  266    HA   SER 685           HA       SER 685   2.819   1.543  10.306
  267   1HB   SER 685          2HB       SER 685   1.693   2.301  12.219
  268   2HB   SER 685          1HB       SER 685   3.252   1.764  12.845
  269    HG   SER 685           HG       SER 685   3.261   3.707  13.672
  270    H    PHE 686           H        PHE 686   4.638   4.536  10.629
  271    HA   PHE 686           HA       PHE 686   2.594   6.223   9.590
  272   1HB   PHE 686          2HB       PHE 686   4.317   7.927   9.432
  273   2HB   PHE 686          1HB       PHE 686   4.469   7.074  10.962
  274    HD1  PHE 686           1HD      PHE 686   6.287   5.395  11.252
  275    HD2  PHE 686           2HD      PHE 686   6.066   7.947   7.854
  276    HE1  PHE 686           1HE      PHE 686   8.654   4.938  10.760
  277    HE2  PHE 686           2HE      PHE 686   8.432   7.494   7.356
  278    HZ   PHE 686           HZ       PHE 686   9.730   5.988   8.810
  279    H    CYS 687           H        CYS 687   5.218   4.373   8.166
  280    HA   CYS 687           HA       CYS 687   5.171   5.530   5.606
  281   1HB   CYS 687          2HB       CYS 687   5.895   2.689   6.337
  282   2HB   CYS 687          1HB       CYS 687   6.369   3.544   4.872
  283    H    GLN 688           H        GLN 688   3.387   2.785   6.954
  284    HA   GLN 688           HA       GLN 688   2.168   2.024   4.525
  285   1HB   GLN 688          2HB       GLN 688   0.722   0.638   5.820
  286   2HB   GLN 688          1HB       GLN 688   2.324   0.574   6.535
  287   1HG   GLN 688          2HG       GLN 688   1.530   1.216   8.491
  288   2HG   GLN 688          1HG       GLN 688   0.806   2.653   7.777
  289   1HE2  GLN 688          1HE2      GLN 688   0.047  -0.695   7.030
  290   2HE2  GLN 688          2HE2      GLN 688  -1.584  -0.639   7.583
  291    H    HIS 689           H        HIS 689   1.229   4.305   7.041
  292    HA   HIS 689           HA       HIS 689  -1.371   4.812   6.016
  293   1HB   HIS 689          2HB       HIS 689   0.395   6.013   8.075
  294   2HB   HIS 689          1HB       HIS 689  -0.870   7.047   7.419
  295    HD1  HIS 689           1HD      HIS 689  -1.647   6.802  10.054
  296    HD2  HIS 689           2HD      HIS 689  -2.168   3.513   7.569
  297    HE1  HIS 689           1HE      HIS 689  -3.331   5.342  11.218
  298    HE2  HIS 689           2HE      HIS 689  -3.568   3.316   9.738
  299    H    LYS 690           H        LYS 690   1.788   6.279   5.513
  300    HA   LYS 690           HA       LYS 690   1.020   8.601   4.178
  301   1HB   LYS 690          2HB       LYS 690   3.369   7.714   4.951
  302   2HB   LYS 690          1HB       LYS 690   3.453   7.083   3.313
  303   1HG   LYS 690          2HG       LYS 690   3.165   9.957   4.151
  304   2HG   LYS 690          1HG       LYS 690   4.549   9.198   3.364
  305   1HD   LYS 690          2HD       LYS 690   1.805   9.576   2.166
  306   2HD   LYS 690          1HD       LYS 690   3.248  10.507   1.771
  307   1HE   LYS 690          2HE       LYS 690   3.794   7.701   1.502
  308   2HE   LYS 690          1HE       LYS 690   2.351   8.121   0.581
  309   1HZ   LYS 690          1HZ       LYS 690   3.757  10.036  -0.307
  310   2HZ   LYS 690          2HZ       LYS 690   4.097   8.483  -0.885
  311   3HZ   LYS 690          3HZ       LYS 690   5.090   9.184   0.291
  312    H    ASP 691           H        ASP 691   1.898   5.440   2.800
  313    HA   ASP 691           HA       ASP 691   1.000   6.261   0.171
  314   1HB   ASP 691          2HB       ASP 691   2.426   3.910   1.306
  315   2HB   ASP 691          1HB       ASP 691   1.503   3.656  -0.173
  316    H    TRP 692           H        TRP 692  -0.454   4.995   2.927
  317    HA   TRP 692           HA       TRP 692  -2.203   3.071   2.150
  318   1HB   TRP 692          2HB       TRP 692  -2.090   3.921   4.436
  319   2HB   TRP 692          1HB       TRP 692  -2.825   5.437   3.926
  320    HD1  TRP 692           HD       TRP 692  -5.115   5.396   5.106
  321    HE1  TRP 692           1HE      TRP 692  -7.115   3.773   5.148
  322    HE3  TRP 692           3HE      TRP 692  -3.051   1.473   2.548
  323    HZ2  TRP 692           2HZ      TRP 692  -7.737   1.187   4.221
  324    HZ3  TRP 692           3HZ      TRP 692  -4.417  -0.534   2.168
  325    HH2  TRP 692           HH       TRP 692  -6.712  -0.673   2.989
  326    H    GLU 693           H        GLU 693  -2.604   6.561   1.593
  327    HA   GLU 693           HA       GLU 693  -5.166   6.582   0.606
  328   1HB   GLU 693          2HB       GLU 693  -4.751   8.733   0.177
  329   2HB   GLU 693          1HB       GLU 693  -3.163   8.431   0.865
  330   1HG   GLU 693          2HG       GLU 693  -2.300   7.973  -1.396
  331   2HG   GLU 693          1HG       GLU 693  -3.893   8.349  -2.056
  332    H    LYS 694           H        LYS 694  -2.179   6.012  -1.277
  333    HA   LYS 694           HA       LYS 694  -3.761   5.493  -3.635
  334   1HB   LYS 694          2HB       LYS 694  -1.565   5.128  -4.732
  335   2HB   LYS 694          1HB       LYS 694  -1.723   6.699  -3.963
  336   1HG   LYS 694          2HG       LYS 694  -0.559   4.663  -2.233
  337   2HG   LYS 694          1HG       LYS 694   0.390   5.004  -3.678
  338   1HD   LYS 694          2HD       LYS 694  -0.597   7.044  -1.691
  339   2HD   LYS 694          1HD       LYS 694   1.055   6.435  -1.808
  340   1HE   LYS 694          2HE       LYS 694   0.433   7.276  -4.382
  341   2HE   LYS 694          1HE       LYS 694  -0.273   8.505  -3.335
  342   1HZ   LYS 694          1HZ       LYS 694   1.750   9.158  -2.579
  343   2HZ   LYS 694          2HZ       LYS 694   2.225   8.612  -4.108
  344   3HZ   LYS 694          3HZ       LYS 694   2.454   7.629  -2.750
  345    H    HIS 695           H        HIS 695  -1.853   3.654  -1.290
  346    HA   HIS 695           HA       HIS 695  -1.876   1.226  -2.714
  347   1HB   HIS 695          2HB       HIS 695  -0.280   1.569  -0.944
  348   2HB   HIS 695          1HB       HIS 695  -1.567   1.785   0.239
  349    HD1  HIS 695           1HD      HIS 695  -0.755  -0.996  -2.259
  350    HD2  HIS 695           2HD      HIS 695  -1.764  -0.420   1.728
  351    HE1  HIS 695           1HE      HIS 695  -0.905  -3.298  -1.231
  352    H    HIS 696           H        HIS 696  -4.120   2.561  -0.307
  353    HA   HIS 696           HA       HIS 696  -5.584   0.283   0.185
  354   1HB   HIS 696          2HB       HIS 696  -7.353   1.653   1.009
  355   2HB   HIS 696          1HB       HIS 696  -5.823   2.390   1.450
  356    HD1  HIS 696           1HD      HIS 696  -8.181   2.789  -1.535
  357    HD2  HIS 696           2HD      HIS 696  -6.048   5.031   1.231
  358    HE1  HIS 696           1HE      HIS 696  -8.713   5.195  -2.052
  359    HE2  HIS 696           2HE      HIS 696  -7.336   6.530  -0.430
  360    H    HIS 697           H        HIS 697  -5.646   2.263  -2.701
  361    HA   HIS 697           HA       HIS 697  -8.160   1.458  -3.686
  362   1HB   HIS 697          2HB       HIS 697  -5.694   2.004  -5.347
  363   2HB   HIS 697          1HB       HIS 697  -7.369   2.139  -5.857
  364    HD1  HIS 697           1HD      HIS 697  -8.690   4.014  -4.105
  365    HD2  HIS 697           2HD      HIS 697  -4.651   4.444  -4.982
  366    HE1  HIS 697           1HE      HIS 697  -8.157   6.432  -3.665
  367    HE2  HIS 697           2HE      HIS 697  -5.689   6.644  -4.109
  368    H    ILE 698           H        ILE 698  -5.024  -0.109  -3.577
  369    HA   ILE 698           HA       ILE 698  -6.055  -2.331  -5.195
  370    HB   ILE 698           HB       ILE 698  -3.758  -3.049  -5.478
  371   1HG1  ILE 698          2HG1      ILE 698  -2.594  -0.605  -4.294
  372   2HG1  ILE 698          1HG1      ILE 698  -3.215  -1.779  -3.139
  373   1HG2  ILE 698          1HG2      ILE 698  -4.461  -1.585  -7.160
  374   2HG2  ILE 698          2HG2      ILE 698  -2.888  -0.966  -6.652
  375   3HG2  ILE 698          3HG2      ILE 698  -4.365  -0.179  -6.097
  376   1HD1  ILE 698          1HD1      ILE 698  -1.163  -2.650  -3.317
  377   2HD1  ILE 698          2HD1      ILE 698  -0.870  -1.908  -4.891
  378   3HD1  ILE 698          3HD1      ILE 698  -1.816  -3.393  -4.777
  379    H    CYS 699           H        CYS 699  -5.725  -1.566  -1.965
  380    HA   CYS 699           HA       CYS 699  -4.604  -3.909  -0.902
  381   1HB   CYS 699          2HB       CYS 699  -5.268  -1.605   0.207
  382   2HB   CYS 699          1HB       CYS 699  -6.750  -2.473   0.595
  383    H    GLY 700           H        GLY 700  -5.347  -5.819  -1.624
  384   1HA   GLY 700          2HA       GLY 700  -7.897  -6.541  -2.361
  385   2HA   GLY 700          1HA       GLY 700  -6.716  -7.658  -1.695
  386    H    GLN 701           H        GLN 701  -6.640  -6.149   0.865
  387    HA   GLN 701           HA       GLN 701  -7.603  -6.275   2.921
  388   1HB   GLN 701          2HB       GLN 701 -10.089  -5.956   1.239
  389   2HB   GLN 701          1HB       GLN 701 -10.104  -5.941   2.997
  390   1HG   GLN 701          2HG       GLN 701  -8.325  -4.073   1.495
  391   2HG   GLN 701          1HG       GLN 701 -10.039  -3.710   1.691
  392   1HE2  GLN 701          1HE2      GLN 701 -10.078  -2.117   3.134
  393   2HE2  GLN 701          2HE2      GLN 701  -9.347  -2.166   4.697
  394    H    THR 702           H        THR 702  -7.135  -8.736   1.326
  395    HA   THR 702           HA       THR 702  -8.676 -10.532   3.022
  396    HB   THR 702           HB       THR 702  -8.479 -11.206   0.108
  397    HG1  THR 702           1HG      THR 702  -9.658  -9.469  -0.193
  398   1HG2  THR 702          1HG2      THR 702  -9.204 -13.001   1.499
  399   2HG2  THR 702          2HG2      THR 702 -10.594 -12.402   0.595
  400   3HG2  THR 702          3HG2      THR 702 -10.395 -11.970   2.293
  401    H    LEU 703           H        LEU 703  -7.724 -12.601   3.280
  402    HA   LEU 703           HA       LEU 703  -4.925 -12.746   2.364
  403   1HB   LEU 703          2HB       LEU 703  -6.108 -13.776   4.943
  404   2HB   LEU 703          1HB       LEU 703  -4.444 -13.994   4.436
  405    HG   LEU 703           HG       LEU 703  -4.367 -11.401   4.367
  406   1HD1  LEU 703          1HD1      LEU 703  -5.929 -10.632   6.344
  407   2HD1  LEU 703          2HD1      LEU 703  -6.938 -11.951   5.752
  408   3HD1  LEU 703          3HD1      LEU 703  -6.493 -10.629   4.673
  409   1HD2  LEU 703          1HD2      LEU 703  -4.614 -12.314   7.165
  410   2HD2  LEU 703          2HD2      LEU 703  -3.287 -11.482   6.352
  411   3HD2  LEU 703          3HD2      LEU 703  -3.503 -13.218   6.135
  412    H    GLN 704           H        GLN 704  -7.055 -13.775   0.848
  413    HA   GLN 704           HA       GLN 704  -7.343 -16.587   1.344
  414   1HB   GLN 704          2HB       GLN 704  -8.783 -14.768  -0.083
  415   2HB   GLN 704          1HB       GLN 704  -7.909 -15.584  -1.371
  416   1HG   GLN 704          2HG       GLN 704  -9.400 -17.129   0.713
  417   2HG   GLN 704          1HG       GLN 704 -10.215 -16.471  -0.704
  418   1HE2  GLN 704          1HE2      GLN 704  -9.382 -19.248   0.335
  419   2HE2  GLN 704          2HE2      GLN 704  -8.709 -20.004  -1.065
  420    H    ALA 705           H        ALA 705  -5.952 -18.131   0.825
  421    HA   ALA 705           HA       ALA 705  -4.393 -18.005  -1.600
  422   1HB   ALA 705          1HB       ALA 705  -2.261 -18.488  -0.166
  423   2HB   ALA 705          2HB       ALA 705  -3.148 -17.613   1.082
  424   3HB   ALA 705          3HB       ALA 705  -2.782 -16.829  -0.454
  425    H    GLN 706           H        GLN 706  -6.426 -19.729  -0.435
  426    HA   GLN 706           HA       GLN 706  -5.228 -22.244  -1.013
  427   1HB   GLN 706          2HB       GLN 706  -4.687 -21.595   1.505
  428   2HB   GLN 706          1HB       GLN 706  -6.317 -22.203   1.761
  429   1HG   GLN 706          2HG       GLN 706  -5.203 -24.160   0.211
  430   2HG   GLN 706          1HG       GLN 706  -3.841 -23.636   1.201
  431   1HE2  GLN 706          1HE2      GLN 706  -3.646 -25.238   2.633
  432   2HE2  GLN 706          2HE2      GLN 706  -4.896 -25.778   3.696
  433    H    GLN 707           H        GLN 707  -6.838 -22.716  -2.409
  434    HA   GLN 707           HA       GLN 707  -9.539 -22.989  -1.273
  435   1HB   GLN 707          2HB       GLN 707 -10.465 -22.335  -3.480
  436   2HB   GLN 707          1HB       GLN 707  -9.577 -21.036  -2.694
  437   1HG   GLN 707          2HG       GLN 707  -8.553 -20.790  -4.652
  438   2HG   GLN 707          1HG       GLN 707  -7.637 -22.227  -4.202
  439   1HE2  GLN 707          1HE2      GLN 707  -7.371 -22.710  -6.413
  440   2HE2  GLN 707          2HE2      GLN 707  -8.653 -23.411  -7.336
  Start of MODEL   10
    1    H    THR1101           H        THR1101 -10.424  11.069   7.686
    2    HA   THR1101           HA       THR1101 -10.589  11.986   5.551
    3    HB   THR1101           HB       THR1101  -8.597  11.848   4.026
    4    HG1  THR1101           1HG      THR1101  -7.202  11.339   6.441
    5   1HG2  THR1101          1HG2      THR1101  -7.453  13.496   6.115
    6   2HG2  THR1101          2HG2      THR1101  -9.169  13.813   5.862
    7   3HG2  THR1101          3HG2      THR1101  -8.040  13.938   4.512
    8    H    ILE1102           H        ILE1102  -8.224   9.328   5.864
    9    HA   ILE1102           HA       ILE1102 -10.028   7.641   4.267
   10    HB   ILE1102           HB       ILE1102  -7.149   7.030   4.909
   11   1HG1  ILE1102          2HG1      ILE1102  -8.163   8.349   2.386
   12   2HG1  ILE1102          1HG1      ILE1102  -7.432   9.243   3.716
   13   1HG2  ILE1102          1HG2      ILE1102  -7.359   5.651   2.841
   14   2HG2  ILE1102          2HG2      ILE1102  -9.082   6.029   2.826
   15   3HG2  ILE1102          3HG2      ILE1102  -8.389   5.124   4.171
   16   1HD1  ILE1102          1HD1      ILE1102  -5.948   8.635   1.746
   17   2HD1  ILE1102          2HD1      ILE1102  -6.005   6.983   2.362
   18   3HD1  ILE1102          3HD1      ILE1102  -5.337   8.275   3.361
   19    H    SER1103           H        SER1103 -10.235   5.377   4.870
   20    HA   SER1103           HA       SER1103 -10.928   5.045   7.579
   21   1HB   SER1103          2HB       SER1103 -11.709   3.764   5.414
   22   2HB   SER1103          1HB       SER1103 -10.384   2.675   5.829
   23    HG   SER1103           HG       SER1103 -12.360   3.440   7.703
   24    H    ASN1104           H        ASN1104 -10.046   2.610   8.406
   25    HA   ASN1104           HA       ASN1104  -7.210   3.147   8.937
   26   1HB   ASN1104          2HB       ASN1104  -9.134   1.386  10.467
   27   2HB   ASN1104          1HB       ASN1104  -7.484   1.782  10.941
   28   1HD2  ASN1104          1HD2      ASN1104  -7.005   3.938  11.549
   29   2HD2  ASN1104          2HD2      ASN1104  -8.247   4.984  12.142
   30    HA   PRO1105           HA       PRO1105  -6.531  -0.403   6.228
   31   1HB   PRO1105          2HB       PRO1105  -3.812  -0.269   6.291
   32   2HB   PRO1105          1HB       PRO1105  -4.809   0.749   5.251
   33   1HG   PRO1105          2HG       PRO1105  -3.543   1.393   7.882
   34   2HG   PRO1105          1HG       PRO1105  -3.659   2.392   6.421
   35   1HD   PRO1105          2HD       PRO1105  -5.293   2.736   8.550
   36   2HD   PRO1105          1HD       PRO1105  -5.823   3.038   6.884
   37    HA   PRO1106           HA       PRO1106  -5.937  -3.744   9.057
   38   1HB   PRO1106          2HB       PRO1106  -4.209  -4.927   6.936
   39   2HB   PRO1106          1HB       PRO1106  -5.595  -5.628   7.780
   40   1HG   PRO1106          2HG       PRO1106  -5.830  -4.771   5.272
   41   2HG   PRO1106          1HG       PRO1106  -7.136  -4.518   6.445
   42   1HD   PRO1106          2HD       PRO1106  -5.130  -2.574   5.389
   43   2HD   PRO1106          1HD       PRO1106  -6.839  -2.322   5.802
   44    HA   PRO1107           HA       PRO1107  -1.984  -3.285  10.957
   45   1HB   PRO1107          2HB       PRO1107  -1.486  -5.730  12.001
   46   2HB   PRO1107          1HB       PRO1107  -2.747  -4.666  12.634
   47   1HG   PRO1107          2HG       PRO1107  -2.994  -6.996  10.770
   48   2HG   PRO1107          1HG       PRO1107  -4.012  -6.559  12.154
   49   1HD   PRO1107          2HD       PRO1107  -4.706  -6.022   9.582
   50   2HD   PRO1107          1HD       PRO1107  -5.200  -5.001  10.947
   51    H    LEU1108           H        LEU1108   0.270  -3.928  10.959
   52    HA   LEU1108           HA       LEU1108   1.050  -5.067   8.375
   53   1HB   LEU1108          2HB       LEU1108   2.529  -3.365  10.374
   54   2HB   LEU1108          1HB       LEU1108   3.307  -4.094   8.983
   55    HG   LEU1108           HG       LEU1108   0.953  -2.235   8.720
   56   1HD1  LEU1108          1HD1      LEU1108   2.291  -0.390   8.679
   57   2HD1  LEU1108          2HD1      LEU1108   3.723  -1.301   8.199
   58   3HD1  LEU1108          3HD1      LEU1108   3.162  -1.356   9.870
   59   1HD2  LEU1108          1HD2      LEU1108   1.270  -3.503   6.754
   60   2HD2  LEU1108          2HD2      LEU1108   3.023  -3.327   6.833
   61   3HD2  LEU1108          3HD2      LEU1108   2.014  -1.935   6.443
   62    H    ILE1109           H        ILE1109   2.600  -6.699   8.198
   63    HA   ILE1109           HA       ILE1109   3.060  -8.232  10.673
   64    HB   ILE1109           HB       ILE1109   3.430 -10.133   8.833
   65   1HG1  ILE1109          2HG1      ILE1109   1.203  -8.511   7.606
   66   2HG1  ILE1109          1HG1      ILE1109   2.859  -8.447   7.017
   67   1HG2  ILE1109          1HG2      ILE1109   1.739  -9.823  10.807
   68   2HG2  ILE1109          2HG2      ILE1109   1.453 -11.048   9.569
   69   3HG2  ILE1109          3HG2      ILE1109   0.592  -9.508   9.503
   70   1HD1  ILE1109          1HD1      ILE1109   1.594 -11.110   7.291
   71   2HD1  ILE1109          2HD1      ILE1109   2.765 -10.525   6.109
   72   3HD1  ILE1109          3HD1      ILE1109   1.067 -10.067   5.970
   73    H    SER1110           H        SER1110   5.107  -8.398  11.297
   74    HA   SER1110           HA       SER1110   7.225  -7.531   9.519
   75   1HB   SER1110          2HB       SER1110   8.557  -8.222  11.745
   76   2HB   SER1110          1HB       SER1110   7.725  -6.676  11.578
   77    HG   SER1110           HG       SER1110   6.266  -7.298  12.980
   78    H    SER1111           H        SER1111   8.617  -8.807   8.474
   79    HA   SER1111           HA       SER1111   8.630 -11.678   9.139
   80   1HB   SER1111          2HB       SER1111   8.806 -12.225   6.801
   81   2HB   SER1111          1HB       SER1111   7.436 -11.132   6.995
   82    HG   SER1111           HG       SER1111   9.802 -10.769   5.650
   83    H    ALA1112           H        ALA1112  10.539 -12.323   9.858
   84    HA   ALA1112           HA       ALA1112  12.974 -11.411   8.553
   85   1HB   ALA1112          1HB       ALA1112  13.930 -10.331  10.299
   86   2HB   ALA1112          2HB       ALA1112  13.104 -11.318  11.506
   87   3HB   ALA1112          3HB       ALA1112  12.246 -10.002  10.705
   88    H    LYS1113           H        LYS1113  12.815 -13.666   7.869
   89    HA   LYS1113           HA       LYS1113  13.665 -15.550   9.968
   90   1HB   LYS1113          2HB       LYS1113  12.165 -16.009   7.392
   91   2HB   LYS1113          1HB       LYS1113  12.888 -17.318   8.316
   92   1HG   LYS1113          2HG       LYS1113  11.153 -15.508   9.850
   93   2HG   LYS1113          1HG       LYS1113  10.346 -16.469   8.610
   94   1HD   LYS1113          2HD       LYS1113  11.675 -18.447   9.634
   95   2HD   LYS1113          1HD       LYS1113  11.857 -17.382  11.029
   96   1HE   LYS1113          2HE       LYS1113   9.507 -17.246  11.339
   97   2HE   LYS1113          1HE       LYS1113   9.192 -18.015   9.783
   98   1HZ   LYS1113          1HZ       LYS1113  10.654 -19.423  11.932
   99   2HZ   LYS1113          2HZ       LYS1113   9.867 -20.081  10.587
  100   3HZ   LYS1113          3HZ       LYS1113   8.964 -19.433  11.863
  101    H    ASP 658           H        ASP 658   8.448 -15.126  -0.915
  102    HA   ASP 658           HA       ASP 658   8.802 -12.245  -0.449
  103   1HB   ASP 658          2HB       ASP 658   8.419 -14.216   1.386
  104   2HB   ASP 658          1HB       ASP 658  10.179 -14.154   1.334
  105    H    SER 659           H        SER 659  10.591 -11.257  -1.122
  106    HA   SER 659           HA       SER 659  13.147 -12.480  -1.214
  107   1HB   SER 659          2HB       SER 659  11.514 -12.452  -3.699
  108   2HB   SER 659          1HB       SER 659  13.212 -12.003  -3.852
  109    HG   SER 659           HG       SER 659  13.779 -13.986  -2.958
  110    H    SER 660           H        SER 660  11.204  -9.976  -2.841
  111    HA   SER 660           HA       SER 660  13.398  -8.102  -2.780
  112   1HB   SER 660          2HB       SER 660  10.659  -8.162  -3.920
  113   2HB   SER 660          1HB       SER 660  11.310  -6.573  -3.520
  114    HG   SER 660           HG       SER 660  12.632  -8.507  -5.123
  115    H    GLU 661           H        GLU 661  13.571  -6.267  -1.526
  116    HA   GLU 661           HA       GLU 661  11.581  -5.894   0.599
  117   1HB   GLU 661          2HB       GLU 661  14.545  -5.748   1.129
  118   2HB   GLU 661          1HB       GLU 661  13.235  -5.742   2.302
  119   1HG   GLU 661          2HG       GLU 661  12.742  -8.103   1.226
  120   2HG   GLU 661          1HG       GLU 661  14.457  -8.005   0.827
  121    H    SER 662           H        SER 662  10.801  -3.914   0.324
  122    HA   SER 662           HA       SER 662  12.453  -1.618   0.459
  123   1HB   SER 662          2HB       SER 662  11.427  -0.857  -1.919
  124   2HB   SER 662          1HB       SER 662  13.022  -1.587  -1.743
  125    HG   SER 662           HG       SER 662  11.970  -2.735  -3.309
  126    H    CYS 663           H        CYS 663  11.301  -0.012   1.329
  127    HA   CYS 663           HA       CYS 663   8.580  -0.357   1.983
  128   1HB   CYS 663          2HB       CYS 663  10.386   1.033   3.181
  129   2HB   CYS 663          1HB       CYS 663  10.003   2.290   2.013
  130    H    TRP 664           H        TRP 664   6.789   0.100   0.882
  131    HA   TRP 664           HA       TRP 664   6.856   1.025  -1.779
  132   1HB   TRP 664          2HB       TRP 664   4.592   0.651   0.180
  133   2HB   TRP 664          1HB       TRP 664   4.330   1.184  -1.477
  134    HD1  TRP 664           HD       TRP 664   6.912  -1.520  -0.628
  135    HE1  TRP 664           1HE      TRP 664   6.143  -3.743  -1.677
  136    HE3  TRP 664           3HE      TRP 664   2.278  -0.095  -2.285
  137    HZ2  TRP 664           2HZ      TRP 664   3.886  -4.758  -3.020
  138    HZ3  TRP 664           3HZ      TRP 664   0.883  -1.760  -3.439
  139    HH2  TRP 664           HH       TRP 664   1.671  -4.039  -3.800
  140    H    ASN 665           H        ASN 665   6.842   2.716   1.186
  141    HA   ASN 665           HA       ASN 665   5.880   5.187  -0.079
  142   1HB   ASN 665          2HB       ASN 665   4.694   4.917   1.907
  143   2HB   ASN 665          1HB       ASN 665   6.076   4.241   2.760
  144   1HD2  ASN 665          1HD2      ASN 665   6.620   5.526   4.355
  145   2HD2  ASN 665          2HD2      ASN 665   6.716   7.251   4.294
  146    H    CYS 666           H        CYS 666   8.386   4.308   2.313
  147    HA   CYS 666           HA       CYS 666   9.936   6.589   2.020
  148   1HB   CYS 666          2HB       CYS 666  10.724   3.794   2.839
  149   2HB   CYS 666          1HB       CYS 666  11.814   5.171   2.935
  150    H    GLY 667           H        GLY 667  10.697   3.376   0.594
  151   1HA   GLY 667          2HA       GLY 667  11.288   3.135  -1.710
  152   2HA   GLY 667          1HA       GLY 667  11.818   4.810  -1.714
  153    H    ARG 668           H        ARG 668  12.697   2.779   0.947
  154    HA   ARG 668           HA       ARG 668  15.408   2.494  -0.165
  155   1HB   ARG 668          2HB       ARG 668  14.915   4.261   1.755
  156   2HB   ARG 668          1HB       ARG 668  15.040   2.834   2.775
  157   1HG   ARG 668          2HG       ARG 668  17.241   2.676   1.086
  158   2HG   ARG 668          1HG       ARG 668  17.117   4.385   1.504
  159   1HD   ARG 668          2HD       ARG 668  16.683   2.765   3.836
  160   2HD   ARG 668          1HD       ARG 668  18.194   2.304   3.053
  161    HE   ARG 668           HE       ARG 668  17.868   5.143   3.367
  162   1HH1  ARG 668          1HH1      ARG 668  18.967   2.202   4.891
  163   2HH1  ARG 668          2HH1      ARG 668  20.054   3.017   5.966
  164   1HH2  ARG 668          1HH2      ARG 668  19.296   6.216   4.781
  165   2HH2  ARG 668          2HH2      ARG 668  20.240   5.296   5.903
  166    H    LYS 669           H        LYS 669  13.502   1.404   2.653
  167    HA   LYS 669           HA       LYS 669  13.723  -1.344   1.863
  168   1HB   LYS 669          2HB       LYS 669  15.114  -2.161   3.598
  169   2HB   LYS 669          1HB       LYS 669  15.973  -0.799   2.893
  170   1HG   LYS 669          2HG       LYS 669  16.271  -0.381   5.115
  171   2HG   LYS 669          1HG       LYS 669  14.793   0.537   4.818
  172   1HD   LYS 669          2HD       LYS 669  13.909  -0.613   6.518
  173   2HD   LYS 669          1HD       LYS 669  13.860  -1.988   5.414
  174   1HE   LYS 669          2HE       LYS 669  16.475  -1.930   6.385
  175   2HE   LYS 669          1HE       LYS 669  15.461  -1.582   7.784
  176   1HZ   LYS 669          1HZ       LYS 669  15.473  -3.980   6.068
  177   2HZ   LYS 669          2HZ       LYS 669  14.108  -3.586   6.985
  178   3HZ   LYS 669          3HZ       LYS 669  15.586  -3.879   7.753
  179    H    ALA 670           H        ALA 670  12.481  -2.761   3.170
  180    HA   ALA 670           HA       ALA 670  10.857  -1.545   5.275
  181   1HB   ALA 670          1HB       ALA 670   9.898  -1.965   2.652
  182   2HB   ALA 670          2HB       ALA 670   8.996  -1.440   4.073
  183   3HB   ALA 670          3HB       ALA 670   9.120  -3.158   3.692
  184    H    SER 671           H        SER 671  10.141  -2.965   6.835
  185    HA   SER 671           HA       SER 671  11.029  -5.759   6.537
  186   1HB   SER 671          2HB       SER 671  12.226  -4.159   8.223
  187   2HB   SER 671          1HB       SER 671  10.797  -4.438   9.219
  188    HG   SER 671           HG       SER 671  12.386  -5.965   9.703
  189    H    GLU 672           H        GLU 672   8.334  -3.812   6.837
  190    HA   GLU 672           HA       GLU 672   6.801  -5.938   8.176
  191   1HB   GLU 672          2HB       GLU 672   5.667  -3.208   7.692
  192   2HB   GLU 672          1HB       GLU 672   5.279  -4.367   8.954
  193   1HG   GLU 672          2HG       GLU 672   7.980  -3.098   8.892
  194   2HG   GLU 672          1HG       GLU 672   6.598  -2.205   9.526
  195    H    THR 673           H        THR 673   4.670  -6.410   7.325
  196    HA   THR 673           HA       THR 673   4.380  -5.816   4.462
  197    HB   THR 673           HB       THR 673   4.164  -8.533   5.778
  198    HG1  THR 673           1HG      THR 673   5.849  -9.031   4.368
  199   1HG2  THR 673          1HG2      THR 673   3.409  -7.667   3.004
  200   2HG2  THR 673          2HG2      THR 673   2.447  -8.570   4.176
  201   3HG2  THR 673          3HG2      THR 673   3.836  -9.331   3.401
  202    H    CYS 674           H        CYS 674   2.330  -5.500   3.731
  203    HA   CYS 674           HA       CYS 674   0.311  -4.884   5.628
  204   1HB   CYS 674          2HB       CYS 674   0.447  -3.687   3.517
  205   2HB   CYS 674          1HB       CYS 674   0.192  -5.177   2.619
  206    H    SER 675           H        SER 675  -0.578  -6.482   6.793
  207    HA   SER 675           HA       SER 675  -0.887  -9.143   5.910
  208   1HB   SER 675          2HB       SER 675  -2.119  -9.504   7.973
  209   2HB   SER 675          1HB       SER 675  -0.721  -8.477   8.294
  210    HG   SER 675           HG       SER 675  -3.398  -7.601   7.926
  211    H    GLY 676           H        GLY 676  -2.688  -6.409   5.108
  212   1HA   GLY 676          2HA       GLY 676  -5.272  -7.654   4.942
  213   2HA   GLY 676          1HA       GLY 676  -4.816  -6.101   4.259
  214    H    CYS 677           H        CYS 677  -2.820  -6.723   2.530
  215    HA   CYS 677           HA       CYS 677  -4.182  -8.487   0.609
  216   1HB   CYS 677          2HB       CYS 677  -2.975  -7.193  -1.142
  217   2HB   CYS 677          1HB       CYS 677  -4.083  -6.211  -0.190
  218    H    ASN 678           H        ASN 678  -1.438  -8.206   2.563
  219    HA   ASN 678           HA       ASN 678   0.472  -9.414   2.775
  220   1HB   ASN 678          2HB       ASN 678  -1.353 -11.228   1.293
  221   2HB   ASN 678          1HB       ASN 678   0.354 -11.660   1.302
  222   1HD2  ASN 678          1HD2      ASN 678   0.858 -13.024   2.837
  223   2HD2  ASN 678          2HD2      ASN 678   0.144 -13.111   4.408
  224    H    THR 679           H        THR 679   0.072  -7.485   0.490
  225    HA   THR 679           HA       THR 679   2.264  -8.476  -1.209
  226    HB   THR 679           HB       THR 679  -0.047  -6.694  -1.983
  227    HG1  THR 679           1HG      THR 679  -0.765  -8.744  -2.020
  228   1HG2  THR 679          1HG2      THR 679   1.195  -5.950  -3.655
  229   2HG2  THR 679          2HG2      THR 679   1.208  -7.597  -4.286
  230   3HG2  THR 679          3HG2      THR 679   2.518  -7.042  -3.243
  231    H    ALA 680           H        ALA 680   0.841  -5.677   0.368
  232    HA   ALA 680           HA       ALA 680   2.855  -3.842  -0.477
  233   1HB   ALA 680          1HB       ALA 680   0.387  -3.720   0.932
  234   2HB   ALA 680          2HB       ALA 680   1.321  -2.404   0.220
  235   3HB   ALA 680          3HB       ALA 680   1.620  -2.897   1.887
  236    H    ARG 681           H        ARG 681   4.385  -2.767   0.884
  237    HA   ARG 681           HA       ARG 681   5.219  -4.227   3.285
  238   1HB   ARG 681          2HB       ARG 681   6.969  -3.561   0.915
  239   2HB   ARG 681          1HB       ARG 681   7.611  -3.989   2.496
  240   1HG   ARG 681          2HG       ARG 681   5.691  -5.803   1.099
  241   2HG   ARG 681          1HG       ARG 681   7.406  -5.810   0.684
  242   1HD   ARG 681          2HD       ARG 681   6.292  -6.212   3.457
  243   2HD   ARG 681          1HD       ARG 681   6.811  -7.507   2.381
  244    HE   ARG 681           HE       ARG 681   8.484  -5.782   3.945
  245   1HH1  ARG 681          1HH1      ARG 681   8.338  -7.764   1.076
  246   2HH1  ARG 681          2HH1      ARG 681  10.048  -8.027   1.018
  247   1HH2  ARG 681          1HH2      ARG 681  10.735  -6.126   3.869
  248   2HH2  ARG 681          2HH2      ARG 681  11.409  -7.098   2.604
  249    H    TYR 682           H        TYR 682   6.148  -2.947   4.871
  250    HA   TYR 682           HA       TYR 682   6.857  -0.199   4.276
  251   1HB   TYR 682          2HB       TYR 682   4.542  -0.922   6.080
  252   2HB   TYR 682          1HB       TYR 682   5.327   0.653   6.093
  253    HD1  TYR 682           1HD      TYR 682   5.320   2.010   3.941
  254    HD2  TYR 682           2HD      TYR 682   2.850  -1.405   4.526
  255    HE1  TYR 682           1HE      TYR 682   3.861   2.759   2.111
  256    HE2  TYR 682           2HE      TYR 682   1.383  -0.666   2.696
  257    HH   TYR 682           HH       TYR 682   2.250   1.779   0.519
  258    H    CYS 683           H        CYS 683   8.171   0.743   5.858
  259    HA   CYS 683           HA       CYS 683   9.342  -1.184   7.700
  260   1HB   CYS 683          2HB       CYS 683  11.210   0.324   7.877
  261   2HB   CYS 683          1HB       CYS 683  10.801   0.140   6.176
  262    H    GLY 684           H        GLY 684   7.188   1.503   7.770
  263   1HA   GLY 684          2HA       GLY 684   7.117   1.298  10.682
  264   2HA   GLY 684          1HA       GLY 684   7.490   2.880  10.016
  265    H    SER 685           H        SER 685   5.228   2.030  11.650
  266    HA   SER 685           HA       SER 685   2.854   1.614  10.353
  267   1HB   SER 685          2HB       SER 685   1.766   2.787  12.235
  268   2HB   SER 685          1HB       SER 685   3.038   1.698  12.788
  269    HG   SER 685           HG       SER 685   2.968   3.922  13.693
  270    H    PHE 686           H        PHE 686   4.686   4.610  10.538
  271    HA   PHE 686           HA       PHE 686   2.608   6.272   9.526
  272   1HB   PHE 686          2HB       PHE 686   4.339   7.960   9.231
  273   2HB   PHE 686          1HB       PHE 686   4.520   7.176  10.795
  274    HD1  PHE 686           1HD      PHE 686   6.334   5.506  11.124
  275    HD2  PHE 686           2HD      PHE 686   6.046   7.885   7.608
  276    HE1  PHE 686           1HE      PHE 686   8.686   5.010  10.601
  277    HE2  PHE 686           2HE      PHE 686   8.397   7.392   7.077
  278    HZ   PHE 686           HZ       PHE 686   9.720   5.953   8.575
  279    H    CYS 687           H        CYS 687   5.167   4.367   8.070
  280    HA   CYS 687           HA       CYS 687   5.008   5.428   5.467
  281   1HB   CYS 687          2HB       CYS 687   5.747   2.585   6.151
  282   2HB   CYS 687          1HB       CYS 687   6.286   3.538   4.771
  283    H    GLN 688           H        GLN 688   3.353   2.678   6.983
  284    HA   GLN 688           HA       GLN 688   2.027   1.794   4.671
  285   1HB   GLN 688          2HB       GLN 688   0.722   0.431   6.066
  286   2HB   GLN 688          1HB       GLN 688   2.284   0.551   6.852
  287   1HG   GLN 688          2HG       GLN 688   1.469   1.833   8.580
  288   2HG   GLN 688          1HG       GLN 688   0.080   2.396   7.653
  289   1HE2  GLN 688          1HE2      GLN 688  -0.968   0.095   6.702
  290   2HE2  GLN 688          2HE2      GLN 688  -1.506  -0.899   7.995
  291    H    HIS 689           H        HIS 689   1.087   4.125   7.157
  292    HA   HIS 689           HA       HIS 689  -1.490   4.645   6.078
  293   1HB   HIS 689          2HB       HIS 689   0.252   5.923   8.139
  294   2HB   HIS 689          1HB       HIS 689  -1.125   6.829   7.518
  295    HD1  HIS 689           1HD      HIS 689  -1.551   6.371  10.302
  296    HD2  HIS 689           2HD      HIS 689  -2.325   3.332   7.576
  297    HE1  HIS 689           1HE      HIS 689  -3.118   4.796  11.480
  298    HE2  HIS 689           2HE      HIS 689  -3.506   2.920   9.841
  299    H    LYS 690           H        LYS 690   1.684   6.103   5.654
  300    HA   LYS 690           HA       LYS 690   0.962   8.442   4.327
  301   1HB   LYS 690          2HB       LYS 690   3.287   7.520   5.135
  302   2HB   LYS 690          1HB       LYS 690   3.398   6.920   3.487
  303   1HG   LYS 690          2HG       LYS 690   3.121   9.779   4.378
  304   2HG   LYS 690          1HG       LYS 690   4.509   9.024   3.596
  305   1HD   LYS 690          2HD       LYS 690   1.786   9.448   2.365
  306   2HD   LYS 690          1HD       LYS 690   3.240  10.381   2.014
  307   1HE   LYS 690          2HE       LYS 690   3.757   7.568   1.691
  308   2HE   LYS 690          1HE       LYS 690   2.353   8.047   0.738
  309   1HZ   LYS 690          1HZ       LYS 690   4.649   9.821   0.597
  310   2HZ   LYS 690          2HZ       LYS 690   3.599   9.308  -0.625
  311   3HZ   LYS 690          3HZ       LYS 690   4.855   8.297  -0.111
  312    H    ASP 691           H        ASP 691   1.839   5.292   2.918
  313    HA   ASP 691           HA       ASP 691   1.003   6.168   0.286
  314   1HB   ASP 691          2HB       ASP 691   2.366   3.774   1.407
  315   2HB   ASP 691          1HB       ASP 691   1.470   3.561  -0.093
  316    H    TRP 692           H        TRP 692  -0.543   4.945   2.986
  317    HA   TRP 692           HA       TRP 692  -2.301   3.039   2.167
  318   1HB   TRP 692          2HB       TRP 692  -2.214   3.891   4.454
  319   2HB   TRP 692          1HB       TRP 692  -2.917   5.416   3.930
  320    HD1  TRP 692           HD       TRP 692  -5.209   5.392   5.113
  321    HE1  TRP 692           1HE      TRP 692  -7.240   3.808   5.111
  322    HE3  TRP 692           3HE      TRP 692  -3.206   1.479   2.488
  323    HZ2  TRP 692           2HZ      TRP 692  -7.908   1.257   4.128
  324    HZ3  TRP 692           3HZ      TRP 692  -4.612  -0.491   2.061
  325    HH2  TRP 692           HH       TRP 692  -6.914  -0.599   2.865
  326    H    GLU 693           H        GLU 693  -2.610   6.539   1.603
  327    HA   GLU 693           HA       GLU 693  -5.144   6.624   0.551
  328   1HB   GLU 693          2HB       GLU 693  -4.661   8.764   0.147
  329   2HB   GLU 693          1HB       GLU 693  -3.094   8.418   0.862
  330   1HG   GLU 693          2HG       GLU 693  -2.197   7.955  -1.380
  331   2HG   GLU 693          1HG       GLU 693  -3.768   8.355  -2.073
  332    H    LYS 694           H        LYS 694  -2.123   5.988  -1.250
  333    HA   LYS 694           HA       LYS 694  -3.645   5.513  -3.655
  334   1HB   LYS 694          2HB       LYS 694  -1.423   5.099  -4.687
  335   2HB   LYS 694          1HB       LYS 694  -1.571   6.672  -3.920
  336   1HG   LYS 694          2HG       LYS 694  -0.505   4.603  -2.162
  337   2HG   LYS 694          1HG       LYS 694   0.496   4.934  -3.575
  338   1HD   LYS 694          2HD       LYS 694  -0.508   6.976  -1.598
  339   2HD   LYS 694          1HD       LYS 694   1.135   6.340  -1.680
  340   1HE   LYS 694          2HE       LYS 694   0.314   7.319  -4.254
  341   2HE   LYS 694          1HE       LYS 694   0.079   8.564  -3.028
  342   1HZ   LYS 694          1HZ       LYS 694   2.266   8.851  -2.809
  343   2HZ   LYS 694          2HZ       LYS 694   2.418   8.006  -4.266
  344   3HZ   LYS 694          3HZ       LYS 694   2.594   7.191  -2.795
  345    H    HIS 695           H        HIS 695  -1.862   3.622  -1.259
  346    HA   HIS 695           HA       HIS 695  -1.896   1.193  -2.687
  347   1HB   HIS 695          2HB       HIS 695  -0.366   1.571  -0.829
  348   2HB   HIS 695          1HB       HIS 695  -1.721   1.690   0.290
  349    HD1  HIS 695           1HD      HIS 695  -0.541  -0.943  -2.228
  350    HD2  HIS 695           2HD      HIS 695  -2.039  -0.593   1.631
  351    HE1  HIS 695           1HE      HIS 695  -0.680  -3.293  -1.306
  352    H    HIS 696           H        HIS 696  -4.174   2.580  -0.341
  353    HA   HIS 696           HA       HIS 696  -5.724   0.340   0.085
  354   1HB   HIS 696          2HB       HIS 696  -7.459   1.755   0.895
  355   2HB   HIS 696          1HB       HIS 696  -5.918   2.451   1.366
  356    HD1  HIS 696           1HD      HIS 696  -8.220   2.927  -1.650
  357    HD2  HIS 696           2HD      HIS 696  -6.066   5.097   1.156
  358    HE1  HIS 696           1HE      HIS 696  -8.676   5.348  -2.166
  359    HE2  HIS 696           2HE      HIS 696  -7.430   6.636  -0.406
  360    H    HIS 697           H        HIS 697  -5.662   2.369  -2.780
  361    HA   HIS 697           HA       HIS 697  -8.183   1.619  -3.820
  362   1HB   HIS 697          2HB       HIS 697  -5.695   2.149  -5.454
  363   2HB   HIS 697          1HB       HIS 697  -7.367   2.342  -5.959
  364    HD1  HIS 697           1HD      HIS 697  -8.643   4.245  -4.238
  365    HD2  HIS 697           2HD      HIS 697  -4.567   4.528  -4.985
  366    HE1  HIS 697           1HE      HIS 697  -8.031   6.637  -3.753
  367    HE2  HIS 697           2HE      HIS 697  -5.580   6.805  -4.302
  368    H    ILE 698           H        ILE 698  -5.043   0.075  -3.707
  369    HA   ILE 698           HA       ILE 698  -5.860  -2.061  -5.500
  370    HB   ILE 698           HB       ILE 698  -3.300  -2.109  -3.952
  371   1HG1  ILE 698          2HG1      ILE 698  -3.542  -0.623  -6.563
  372   2HG1  ILE 698          1HG1      ILE 698  -3.692   0.204  -5.017
  373   1HG2  ILE 698          1HG2      ILE 698  -2.610  -2.970  -6.326
  374   2HG2  ILE 698          2HG2      ILE 698  -4.346  -3.230  -6.504
  375   3HG2  ILE 698          3HG2      ILE 698  -3.464  -4.023  -5.198
  376   1HD1  ILE 698          1HD1      ILE 698  -1.337  -1.478  -5.130
  377   2HD1  ILE 698          2HD1      ILE 698  -1.494   0.228  -4.713
  378   3HD1  ILE 698          3HD1      ILE 698  -1.363  -0.259  -6.404
  379    H    CYS 699           H        CYS 699  -4.625  -1.826  -2.167
  380    HA   CYS 699           HA       CYS 699  -4.684  -4.322  -1.242
  381   1HB   CYS 699          2HB       CYS 699  -4.358  -2.087   0.016
  382   2HB   CYS 699          1HB       CYS 699  -6.077  -2.212   0.377
  383    H    GLY 700           H        GLY 700  -6.156  -5.689  -0.119
  384   1HA   GLY 700          2HA       GLY 700  -8.158  -6.755   0.241
  385   2HA   GLY 700          1HA       GLY 700  -8.973  -5.256  -0.180
  386    H    GLN 701           H        GLN 701  -6.720  -6.979  -2.259
  387    HA   GLN 701           HA       GLN 701  -8.840  -7.236  -4.252
  388   1HB   GLN 701          2HB       GLN 701  -7.049  -7.657  -5.846
  389   2HB   GLN 701          1HB       GLN 701  -6.717  -6.192  -4.931
  390   1HG   GLN 701          2HG       GLN 701  -5.392  -7.927  -3.409
  391   2HG   GLN 701          1HG       GLN 701  -5.302  -8.789  -4.945
  392   1HE2  GLN 701          1HE2      GLN 701  -3.160  -7.582  -3.425
  393   2HE2  GLN 701          2HE2      GLN 701  -2.428  -6.404  -4.454
  394    H    THR 702           H        THR 702  -6.587  -9.188  -2.384
  395    HA   THR 702           HA       THR 702  -8.111 -11.575  -3.176
  396    HB   THR 702           HB       THR 702  -5.106 -11.423  -2.855
  397    HG1  THR 702           1HG      THR 702  -6.134 -10.594  -4.852
  398   1HG2  THR 702          1HG2      THR 702  -6.623 -13.630  -2.395
  399   2HG2  THR 702          2HG2      THR 702  -4.950 -13.643  -2.952
  400   3HG2  THR 702          3HG2      THR 702  -6.267 -13.785  -4.115
  401    H    LEU 703           H        LEU 703  -8.659 -12.927  -1.549
  402    HA   LEU 703           HA       LEU 703  -7.783 -12.164   1.151
  403   1HB   LEU 703          2HB       LEU 703 -10.258 -13.591   0.187
  404   2HB   LEU 703          1HB       LEU 703  -9.831 -13.437   1.881
  405    HG   LEU 703           HG       LEU 703 -10.262 -11.070   0.065
  406   1HD1  LEU 703          1HD1      LEU 703 -12.271 -11.775   2.108
  407   2HD1  LEU 703          2HD1      LEU 703 -12.236 -12.778   0.658
  408   3HD1  LEU 703          3HD1      LEU 703 -12.474 -11.036   0.521
  409   1HD2  LEU 703          1HD2      LEU 703 -10.190 -11.306   3.070
  410   2HD2  LEU 703          2HD2      LEU 703 -10.427  -9.828   2.140
  411   3HD2  LEU 703          3HD2      LEU 703  -8.885 -10.680   2.063
  412    H    GLN 704           H        GLN 704  -8.408 -14.970  -0.924
  413    HA   GLN 704           HA       GLN 704  -6.497 -16.496   0.706
  414   1HB   GLN 704          2HB       GLN 704  -8.929 -17.096   1.170
  415   2HB   GLN 704          1HB       GLN 704  -8.986 -17.726  -0.471
  416   1HG   GLN 704          2HG       GLN 704  -6.708 -18.852   0.708
  417   2HG   GLN 704          1HG       GLN 704  -7.987 -18.950   1.918
  418   1HE2  GLN 704          1HE2      GLN 704  -7.905 -21.234   1.662
  419   2HE2  GLN 704          2HE2      GLN 704  -8.693 -21.997   0.328
  420    H    ALA 705           H        ALA 705  -5.267 -18.035  -0.406
  421    HA   ALA 705           HA       ALA 705  -4.665 -17.391  -3.098
  422   1HB   ALA 705          1HB       ALA 705  -2.961 -18.999  -2.964
  423   2HB   ALA 705          2HB       ALA 705  -3.813 -19.923  -1.726
  424   3HB   ALA 705          3HB       ALA 705  -3.106 -18.357  -1.328
  425    H    GLN 706           H        GLN 706  -6.624 -17.658  -4.244
  426    HA   GLN 706           HA       GLN 706  -8.087 -20.074  -4.317
  427   1HB   GLN 706          2HB       GLN 706  -9.157 -19.138  -6.317
  428   2HB   GLN 706          1HB       GLN 706  -9.062 -17.951  -5.025
  429   1HG   GLN 706          2HG       GLN 706  -6.846 -17.265  -6.245
  430   2HG   GLN 706          1HG       GLN 706  -7.619 -18.050  -7.622
  431   1HE2  GLN 706          1HE2      GLN 706  -9.720 -17.267  -8.269
  432   2HE2  GLN 706          2HE2      GLN 706 -10.128 -15.608  -8.010
  433    H    GLN 707           H        GLN 707  -7.378 -21.960  -5.047
  434    HA   GLN 707           HA       GLN 707  -5.517 -21.977  -7.331
  435   1HB   GLN 707          2HB       GLN 707  -4.552 -22.857  -5.235
  436   2HB   GLN 707          1HB       GLN 707  -5.837 -24.053  -5.156
  437   1HG   GLN 707          2HG       GLN 707  -5.015 -25.237  -6.986
  438   2HG   GLN 707          1HG       GLN 707  -4.021 -23.886  -7.529
  439   1HE2  GLN 707          1HE2      GLN 707  -1.961 -24.344  -7.314
  440   2HE2  GLN 707          2HE2      GLN 707  -1.228 -25.173  -5.987
  Start of MODEL   11
    1    H    THR1101           H        THR1101  -9.200  13.700   5.410
    2    HA   THR1101           HA       THR1101  -7.963  11.795   5.447
    3    HB   THR1101           HB       THR1101  -8.301  10.998   7.679
    4    HG1  THR1101           1HG      THR1101 -10.949  11.992   7.569
    5   1HG2  THR1101          1HG2      THR1101  -8.251  13.679   7.155
    6   2HG2  THR1101          2HG2      THR1101  -8.051  12.934   8.740
    7   3HG2  THR1101          3HG2      THR1101  -9.636  13.520   8.235
    8    H    ILE1102           H        ILE1102  -7.925   9.388   5.891
    9    HA   ILE1102           HA       ILE1102 -10.187   8.069   4.533
   10    HB   ILE1102           HB       ILE1102  -7.319   7.154   4.372
   11   1HG1  ILE1102          2HG1      ILE1102  -8.894   8.761   2.347
   12   2HG1  ILE1102          1HG1      ILE1102  -7.555   9.370   3.317
   13   1HG2  ILE1102          1HG2      ILE1102  -9.906   6.270   3.196
   14   2HG2  ILE1102          2HG2      ILE1102  -8.573   5.312   3.842
   15   3HG2  ILE1102          3HG2      ILE1102  -8.430   6.065   2.253
   16   1HD1  ILE1102          1HD1      ILE1102  -7.291   8.460   0.814
   17   2HD1  ILE1102          2HD1      ILE1102  -6.989   6.971   1.710
   18   3HD1  ILE1102          3HD1      ILE1102  -6.001   8.400   2.016
   19    H    SER1103           H        SER1103 -10.462   5.777   5.069
   20    HA   SER1103           HA       SER1103 -10.658   5.316   7.799
   21   1HB   SER1103          2HB       SER1103 -10.392   3.086   5.787
   22   2HB   SER1103          1HB       SER1103 -11.360   3.122   7.261
   23    HG   SER1103           HG       SER1103 -12.722   4.627   6.277
   24    H    ASN1104           H        ASN1104  -9.660   3.238   8.830
   25    HA   ASN1104           HA       ASN1104  -6.766   3.606   8.728
   26   1HB   ASN1104          2HB       ASN1104  -8.684   2.533  10.750
   27   2HB   ASN1104          1HB       ASN1104  -7.011   1.985  10.804
   28   1HD2  ASN1104          1HD2      ASN1104  -7.055   3.037  12.909
   29   2HD2  ASN1104          2HD2      ASN1104  -6.739   4.733  13.002
   30    HA   PRO1105           HA       PRO1105  -6.420  -0.167   6.350
   31   1HB   PRO1105          2HB       PRO1105  -3.710  -0.381   6.453
   32   2HB   PRO1105          1HB       PRO1105  -4.551   0.739   5.376
   33   1HG   PRO1105          2HG       PRO1105  -3.257   1.267   8.022
   34   2HG   PRO1105          1HG       PRO1105  -3.202   2.234   6.536
   35   1HD   PRO1105          2HD       PRO1105  -4.823   2.857   8.607
   36   2HD   PRO1105          1HD       PRO1105  -5.273   3.175   6.920
   37    HA   PRO1106           HA       PRO1106  -5.939  -3.477   9.225
   38   1HB   PRO1106          2HB       PRO1106  -4.631  -5.379   7.791
   39   2HB   PRO1106          1HB       PRO1106  -6.324  -4.955   7.510
   40   1HG   PRO1106          2HG       PRO1106  -3.880  -4.082   6.022
   41   2HG   PRO1106          1HG       PRO1106  -5.458  -4.578   5.387
   42   1HD   PRO1106          2HD       PRO1106  -4.724  -1.981   5.608
   43   2HD   PRO1106          1HD       PRO1106  -6.407  -2.518   5.784
   44    HA   PRO1107           HA       PRO1107  -2.026  -3.537  11.257
   45   1HB   PRO1107          2HB       PRO1107  -1.676  -6.140  11.979
   46   2HB   PRO1107          1HB       PRO1107  -2.829  -5.061  12.771
   47   1HG   PRO1107          2HG       PRO1107  -3.310  -7.117  10.649
   48   2HG   PRO1107          1HG       PRO1107  -4.262  -6.767  12.105
   49   1HD   PRO1107          2HD       PRO1107  -4.988  -5.876   9.664
   50   2HD   PRO1107          1HD       PRO1107  -5.297  -4.941  11.141
   51    H    LEU1108           H        LEU1108   0.187  -4.067  11.088
   52    HA   LEU1108           HA       LEU1108   0.937  -5.097   8.454
   53   1HB   LEU1108          2HB       LEU1108   2.254  -3.332  10.475
   54   2HB   LEU1108          1HB       LEU1108   3.251  -4.199   9.322
   55    HG   LEU1108           HG       LEU1108   1.067  -2.230   8.631
   56   1HD1  LEU1108          1HD1      LEU1108   2.725  -0.814   9.244
   57   2HD1  LEU1108          2HD1      LEU1108   3.296  -1.170   7.613
   58   3HD1  LEU1108          3HD1      LEU1108   3.995  -2.012   8.997
   59   1HD2  LEU1108          1HD2      LEU1108   1.023  -3.474   6.747
   60   2HD2  LEU1108          2HD2      LEU1108   2.615  -4.174   7.041
   61   3HD2  LEU1108          3HD2      LEU1108   2.478  -2.550   6.367
   62    H    ILE1109           H        ILE1109   2.448  -6.744   8.170
   63    HA   ILE1109           HA       ILE1109   2.967  -8.374  10.571
   64    HB   ILE1109           HB       ILE1109   3.291 -10.203   8.657
   65   1HG1  ILE1109          2HG1      ILE1109   1.087  -8.481   7.521
   66   2HG1  ILE1109          1HG1      ILE1109   2.728  -8.495   6.888
   67   1HG2  ILE1109          1HG2      ILE1109   1.625  -9.951  10.665
   68   2HG2  ILE1109          2HG2      ILE1109   1.326 -11.136   9.393
   69   3HG2  ILE1109          3HG2      ILE1109   0.465  -9.595   9.383
   70   1HD1  ILE1109          1HD1      ILE1109   1.290 -11.078   7.151
   71   2HD1  ILE1109          2HD1      ILE1109   2.508 -10.574   5.978
   72   3HD1  ILE1109          3HD1      ILE1109   0.851  -9.986   5.838
   73    H    SER1110           H        SER1110   5.024  -8.567  11.146
   74    HA   SER1110           HA       SER1110   7.113  -7.615   9.384
   75   1HB   SER1110          2HB       SER1110   8.478  -8.464  11.539
   76   2HB   SER1110          1HB       SER1110   7.663  -6.901  11.483
   77    HG   SER1110           HG       SER1110   7.197  -8.968  13.109
   78    H    SER1111           H        SER1111   8.447  -8.826   8.203
   79    HA   SER1111           HA       SER1111   8.494 -11.732   8.701
   80   1HB   SER1111          2HB       SER1111   8.447 -12.189   6.389
   81   2HB   SER1111          1HB       SER1111   7.241 -10.919   6.603
   82    HG   SER1111           HG       SER1111   9.571 -10.888   5.188
   83    H    ALA1112           H        ALA1112  10.433 -12.428   9.279
   84    HA   ALA1112           HA       ALA1112  12.812 -11.256   8.032
   85   1HB   ALA1112          1HB       ALA1112  13.787 -10.547   9.939
   86   2HB   ALA1112          2HB       ALA1112  13.096 -11.852  10.905
   87   3HB   ALA1112          3HB       ALA1112  12.119 -10.439  10.501
   88    H    LYS1113           H        LYS1113  14.522 -12.660   7.765
   89    HA   LYS1113           HA       LYS1113  14.168 -15.404   8.758
   90   1HB   LYS1113          2HB       LYS1113  14.607 -14.492   5.936
   91   2HB   LYS1113          1HB       LYS1113  15.215 -16.058   6.455
   92   1HG   LYS1113          2HG       LYS1113  12.811 -16.467   7.289
   93   2HG   LYS1113          1HG       LYS1113  12.387 -15.113   6.239
   94   1HD   LYS1113          2HD       LYS1113  14.092 -17.238   5.075
   95   2HD   LYS1113          1HD       LYS1113  12.406 -17.649   5.396
   96   1HE   LYS1113          2HE       LYS1113  12.540 -16.841   3.156
   97   2HE   LYS1113          1HE       LYS1113  11.749 -15.600   4.126
   98   1HZ   LYS1113          1HZ       LYS1113  13.682 -14.291   4.131
   99   2HZ   LYS1113          2HZ       LYS1113  13.513 -14.817   2.532
  100   3HZ   LYS1113          3HZ       LYS1113  14.652 -15.548   3.546
  101    H    ASP 658           H        ASP 658  18.391  -9.967  -6.421
  102    HA   ASP 658           HA       ASP 658  19.941  -7.533  -6.331
  103   1HB   ASP 658          2HB       ASP 658  17.925  -8.678  -8.245
  104   2HB   ASP 658          1HB       ASP 658  18.450  -7.003  -8.386
  105    H    SER 659           H        SER 659  16.683  -8.559  -5.600
  106    HA   SER 659           HA       SER 659  16.167  -6.253  -4.033
  107   1HB   SER 659          2HB       SER 659  14.248  -5.379  -5.374
  108   2HB   SER 659          1HB       SER 659  15.810  -5.150  -6.161
  109    HG   SER 659           HG       SER 659  13.938  -6.065  -7.420
  110    H    SER 660           H        SER 660  14.212  -6.407  -2.849
  111    HA   SER 660           HA       SER 660  12.224  -8.337  -3.276
  112   1HB   SER 660          2HB       SER 660  14.411  -9.682  -2.590
  113   2HB   SER 660          1HB       SER 660  13.888  -9.232  -0.968
  114    HG   SER 660           HG       SER 660  12.621 -10.866  -2.863
  115    H    GLU 661           H        GLU 661  14.077  -6.554  -0.868
  116    HA   GLU 661           HA       GLU 661  11.565  -5.979   0.560
  117   1HB   GLU 661          2HB       GLU 661  14.326  -5.661   1.721
  118   2HB   GLU 661          1HB       GLU 661  12.790  -5.728   2.573
  119   1HG   GLU 661          2HG       GLU 661  12.568  -8.051   2.172
  120   2HG   GLU 661          1HG       GLU 661  13.906  -8.048   1.024
  121    H    SER 662           H        SER 662  10.807  -3.988   0.345
  122    HA   SER 662           HA       SER 662  12.480  -1.683   0.483
  123   1HB   SER 662          2HB       SER 662  11.398  -0.973  -1.895
  124   2HB   SER 662          1HB       SER 662  13.010  -1.668  -1.723
  125    HG   SER 662           HG       SER 662  11.368  -2.644  -3.271
  126    H    CYS 663           H        CYS 663  11.353  -0.012   1.276
  127    HA   CYS 663           HA       CYS 663   8.629  -0.349   1.990
  128   1HB   CYS 663          2HB       CYS 663  10.469   1.009   3.172
  129   2HB   CYS 663          1HB       CYS 663  10.096   2.273   2.010
  130    H    TRP 664           H        TRP 664   6.843   0.128   0.893
  131    HA   TRP 664           HA       TRP 664   6.887   1.035  -1.764
  132   1HB   TRP 664          2HB       TRP 664   4.661   0.740   0.245
  133   2HB   TRP 664          1HB       TRP 664   4.368   1.302  -1.397
  134    HD1  TRP 664           HD       TRP 664   6.881  -1.499  -0.665
  135    HE1  TRP 664           1HE      TRP 664   6.004  -3.680  -1.708
  136    HE3  TRP 664           3HE      TRP 664   2.251   0.104  -2.136
  137    HZ2  TRP 664           2HZ      TRP 664   3.658  -4.602  -2.990
  138    HZ3  TRP 664           3HZ      TRP 664   0.755  -1.492  -3.262
  139    HH2  TRP 664           HH       TRP 664   1.441  -3.791  -3.677
  140    H    ASN 665           H        ASN 665   6.779   2.756   1.230
  141    HA   ASN 665           HA       ASN 665   5.960   5.239  -0.096
  142   1HB   ASN 665          2HB       ASN 665   4.729   5.008   1.870
  143   2HB   ASN 665          1HB       ASN 665   6.089   4.338   2.763
  144   1HD2  ASN 665          1HD2      ASN 665   6.758   5.646   4.286
  145   2HD2  ASN 665          2HD2      ASN 665   6.817   7.371   4.206
  146    H    CYS 666           H        CYS 666   8.406   4.326   2.345
  147    HA   CYS 666           HA       CYS 666   9.997   6.577   2.098
  148   1HB   CYS 666          2HB       CYS 666  10.666   3.760   2.922
  149   2HB   CYS 666          1HB       CYS 666  11.860   5.050   2.955
  150    H    GLY 667           H        GLY 667  10.716   3.383   0.613
  151   1HA   GLY 667          2HA       GLY 667  11.340   3.169  -1.682
  152   2HA   GLY 667          1HA       GLY 667  11.881   4.840  -1.657
  153    H    ARG 668           H        ARG 668  12.719   2.768   0.986
  154    HA   ARG 668           HA       ARG 668  15.439   2.478  -0.104
  155   1HB   ARG 668          2HB       ARG 668  14.551   3.446   2.594
  156   2HB   ARG 668          1HB       ARG 668  16.112   2.657   2.408
  157   1HG   ARG 668          2HG       ARG 668  16.137   4.499   0.381
  158   2HG   ARG 668          1HG       ARG 668  15.267   5.344   1.663
  159   1HD   ARG 668          2HD       ARG 668  17.070   5.336   3.079
  160   2HD   ARG 668          1HD       ARG 668  17.764   3.882   2.360
  161    HE   ARG 668           HE       ARG 668  17.858   5.907   0.448
  162   1HH1  ARG 668          1HH1      ARG 668  19.257   5.176   3.560
  163   2HH1  ARG 668          2HH1      ARG 668  20.714   6.059   3.252
  164   1HH2  ARG 668          1HH2      ARG 668  19.775   7.070   0.041
  165   2HH2  ARG 668          2HH2      ARG 668  21.008   7.135   1.255
  166    H    LYS 669           H        LYS 669  13.535   1.373   2.710
  167    HA   LYS 669           HA       LYS 669  13.726  -1.369   1.880
  168   1HB   LYS 669          2HB       LYS 669  15.106  -2.219   3.599
  169   2HB   LYS 669          1HB       LYS 669  15.974  -0.843   2.935
  170   1HG   LYS 669          2HG       LYS 669  16.252  -0.482   5.172
  171   2HG   LYS 669          1HG       LYS 669  14.784   0.453   4.878
  172   1HD   LYS 669          2HD       LYS 669  13.869  -0.730   6.538
  173   2HD   LYS 669          1HD       LYS 669  13.832  -2.084   5.406
  174   1HE   LYS 669          2HE       LYS 669  15.530  -3.157   6.434
  175   2HE   LYS 669          1HE       LYS 669  16.398  -1.662   6.783
  176   1HZ   LYS 669          1HZ       LYS 669  13.927  -2.103   8.258
  177   2HZ   LYS 669          2HZ       LYS 669  15.394  -1.440   8.776
  178   3HZ   LYS 669          3HZ       LYS 669  15.223  -3.118   8.651
  179    H    ALA 670           H        ALA 670  12.444  -2.782   3.140
  180    HA   ALA 670           HA       ALA 670  10.833  -1.586   5.268
  181   1HB   ALA 670          1HB       ALA 670   8.863  -2.884   4.001
  182   2HB   ALA 670          2HB       ALA 670   9.840  -2.410   2.610
  183   3HB   ALA 670          3HB       ALA 670   9.231  -1.182   3.721
  184    H    SER 671           H        SER 671  10.078  -3.032   6.786
  185    HA   SER 671           HA       SER 671  10.899  -5.838   6.413
  186   1HB   SER 671          2HB       SER 671  12.022  -4.159   8.205
  187   2HB   SER 671          1HB       SER 671  10.697  -4.797   9.177
  188    HG   SER 671           HG       SER 671  11.623  -6.702   9.207
  189    H    GLU 672           H        GLU 672   8.255  -3.848   6.752
  190    HA   GLU 672           HA       GLU 672   6.685  -5.946   8.095
  191   1HB   GLU 672          2HB       GLU 672   5.618  -3.186   7.625
  192   2HB   GLU 672          1HB       GLU 672   5.195  -4.343   8.878
  193   1HG   GLU 672          2HG       GLU 672   7.921  -3.120   8.814
  194   2HG   GLU 672          1HG       GLU 672   6.557  -2.238   9.496
  195    H    THR 673           H        THR 673   4.560  -6.403   7.251
  196    HA   THR 673           HA       THR 673   4.235  -5.762   4.402
  197    HB   THR 673           HB       THR 673   4.054  -8.505   5.666
  198    HG1  THR 673           1HG      THR 673   5.834  -8.932   4.547
  199   1HG2  THR 673          1HG2      THR 673   3.431  -9.409   3.565
  200   2HG2  THR 673          2HG2      THR 673   3.571  -7.838   2.775
  201   3HG2  THR 673          3HG2      THR 673   2.281  -8.126   3.944
  202    H    CYS 674           H        CYS 674   2.176  -5.451   3.700
  203    HA   CYS 674           HA       CYS 674   0.170  -4.890   5.631
  204   1HB   CYS 674          2HB       CYS 674   0.284  -3.650   3.538
  205   2HB   CYS 674          1HB       CYS 674   0.017  -5.125   2.617
  206    H    SER 675           H        SER 675  -0.721  -6.507   6.762
  207    HA   SER 675           HA       SER 675  -1.004  -9.158   5.826
  208   1HB   SER 675          2HB       SER 675  -1.971  -9.644   7.911
  209   2HB   SER 675          1HB       SER 675  -0.878  -8.303   8.252
  210    HG   SER 675           HG       SER 675  -2.829  -6.951   7.897
  211    H    GLY 676           H        GLY 676  -2.830  -6.430   5.080
  212   1HA   GLY 676          2HA       GLY 676  -5.400  -7.722   4.912
  213   2HA   GLY 676          1HA       GLY 676  -4.991  -6.127   4.301
  214    H    CYS 677           H        CYS 677  -2.909  -6.743   2.580
  215    HA   CYS 677           HA       CYS 677  -4.301  -8.363   0.550
  216   1HB   CYS 677          2HB       CYS 677  -3.039  -6.995  -1.118
  217   2HB   CYS 677          1HB       CYS 677  -4.182  -6.069  -0.149
  218    H    ASN 678           H        ASN 678  -1.525  -8.153   2.497
  219    HA   ASN 678           HA       ASN 678   0.376  -9.382   2.656
  220   1HB   ASN 678          2HB       ASN 678  -1.567 -11.131   1.362
  221   2HB   ASN 678          1HB       ASN 678   0.092 -11.543   0.937
  222   1HD2  ASN 678          1HD2      ASN 678   1.493 -11.064   3.153
  223   2HD2  ASN 678          2HD2      ASN 678   0.944 -12.048   4.462
  224    H    THR 679           H        THR 679  -0.042  -7.385   0.436
  225    HA   THR 679           HA       THR 679   2.122  -8.331  -1.325
  226    HB   THR 679           HB       THR 679  -0.216  -6.542  -1.995
  227    HG1  THR 679           1HG      THR 679  -0.975  -8.511  -2.259
  228   1HG2  THR 679          1HG2      THR 679   2.342  -6.739  -3.287
  229   2HG2  THR 679          2HG2      THR 679   0.972  -5.689  -3.652
  230   3HG2  THR 679          3HG2      THR 679   1.055  -7.307  -4.349
  231    H    ALA 680           H        ALA 680   0.732  -5.582   0.362
  232    HA   ALA 680           HA       ALA 680   2.734  -3.722  -0.451
  233   1HB   ALA 680          1HB       ALA 680   0.302  -3.666   1.056
  234   2HB   ALA 680          2HB       ALA 680   1.162  -2.340   0.273
  235   3HB   ALA 680          3HB       ALA 680   1.567  -2.799   1.927
  236    H    ARG 681           H        ARG 681   4.310  -2.715   0.870
  237    HA   ARG 681           HA       ARG 681   5.153  -4.193   3.256
  238   1HB   ARG 681          2HB       ARG 681   6.893  -3.543   0.872
  239   2HB   ARG 681          1HB       ARG 681   7.532  -4.020   2.439
  240   1HG   ARG 681          2HG       ARG 681   5.512  -5.792   1.191
  241   2HG   ARG 681          1HG       ARG 681   7.127  -5.755   0.481
  242   1HD   ARG 681          2HD       ARG 681   6.657  -6.155   3.422
  243   2HD   ARG 681          1HD       ARG 681   6.709  -7.497   2.280
  244    HE   ARG 681           HE       ARG 681   8.997  -5.758   2.143
  245   1HH1  ARG 681          1HH1      ARG 681   7.605  -8.544   3.718
  246   2HH1  ARG 681          2HH1      ARG 681   9.137  -9.201   4.186
  247   1HH2  ARG 681          1HH2      ARG 681  11.013  -6.620   2.758
  248   2HH2  ARG 681          2HH2      ARG 681  11.072  -8.109   3.641
  249    H    TYR 682           H        TYR 682   6.107  -2.929   4.829
  250    HA   TYR 682           HA       TYR 682   6.897  -0.209   4.229
  251   1HB   TYR 682          2HB       TYR 682   4.558  -0.828   6.040
  252   2HB   TYR 682          1HB       TYR 682   5.390   0.724   6.011
  253    HD1  TYR 682           1HD      TYR 682   2.855  -1.306   4.496
  254    HD2  TYR 682           2HD      TYR 682   5.409   2.030   3.828
  255    HE1  TYR 682           1HE      TYR 682   1.406  -0.574   2.648
  256    HE2  TYR 682           2HE      TYR 682   3.966   2.773   1.980
  257    HH   TYR 682           HH       TYR 682   2.170   1.276   0.333
  258    H    CYS 683           H        CYS 683   8.186   0.730   5.856
  259    HA   CYS 683           HA       CYS 683   9.324  -1.235   7.680
  260   1HB   CYS 683          2HB       CYS 683  11.215   0.229   7.874
  261   2HB   CYS 683          1HB       CYS 683  10.801   0.101   6.171
  262    H    GLY 684           H        GLY 684   7.200   1.473   7.768
  263   1HA   GLY 684          2HA       GLY 684   7.118   1.245  10.678
  264   2HA   GLY 684          1HA       GLY 684   7.513   2.827  10.026
  265    H    SER 685           H        SER 685   5.249   2.005  11.654
  266    HA   SER 685           HA       SER 685   2.867   1.654  10.322
  267   1HB   SER 685          2HB       SER 685   1.941   3.121  12.297
  268   2HB   SER 685          1HB       SER 685   2.653   1.540  12.621
  269    HG   SER 685           HG       SER 685   3.917   4.068  12.870
  270    H    PHE 686           H        PHE 686   4.864   4.486  10.359
  271    HA   PHE 686           HA       PHE 686   2.750   6.267   9.537
  272   1HB   PHE 686          2HB       PHE 686   4.494   7.953   9.325
  273   2HB   PHE 686          1HB       PHE 686   4.659   7.102  10.855
  274    HD1  PHE 686           1HD      PHE 686   6.217   7.947   7.720
  275    HD2  PHE 686           2HD      PHE 686   6.457   5.397  11.118
  276    HE1  PHE 686           1HE      PHE 686   8.570   7.465   7.188
  277    HE2  PHE 686           2HE      PHE 686   8.810   4.909  10.592
  278    HZ   PHE 686           HZ       PHE 686   9.870   5.944   8.625
  279    H    CYS 687           H        CYS 687   5.317   4.425   8.011
  280    HA   CYS 687           HA       CYS 687   5.180   5.592   5.456
  281   1HB   CYS 687          2HB       CYS 687   5.894   2.720   6.041
  282   2HB   CYS 687          1HB       CYS 687   6.436   3.709   4.688
  283    H    GLN 688           H        GLN 688   3.511   2.787   6.833
  284    HA   GLN 688           HA       GLN 688   2.181   2.014   4.483
  285   1HB   GLN 688          2HB       GLN 688   0.596   0.855   6.021
  286   2HB   GLN 688          1HB       GLN 688   2.289   0.455   6.257
  287   1HG   GLN 688          2HG       GLN 688   2.095   0.962   8.393
  288   2HG   GLN 688          1HG       GLN 688   1.723   2.628   7.951
  289   1HE2  GLN 688          1HE2      GLN 688  -0.199  -0.228   7.258
  290   2HE2  GLN 688          2HE2      GLN 688  -1.564   0.247   8.189
  291    H    HIS 689           H        HIS 689   1.285   4.280   7.035
  292    HA   HIS 689           HA       HIS 689  -1.328   4.796   6.051
  293   1HB   HIS 689          2HB       HIS 689   0.476   6.005   8.077
  294   2HB   HIS 689          1HB       HIS 689  -0.823   7.019   7.456
  295    HD1  HIS 689           1HD      HIS 689  -1.477   6.728  10.136
  296    HD2  HIS 689           2HD      HIS 689  -2.103   3.493   7.610
  297    HE1  HIS 689           1HE      HIS 689  -3.111   5.245  11.341
  298    HE2  HIS 689           2HE      HIS 689  -3.359   3.225   9.857
  299    H    LYS 690           H        LYS 690   1.819   6.270   5.506
  300    HA   LYS 690           HA       LYS 690   1.035   8.605   4.209
  301   1HB   LYS 690          2HB       LYS 690   3.390   7.710   4.929
  302   2HB   LYS 690          1HB       LYS 690   3.443   7.079   3.290
  303   1HG   LYS 690          2HG       LYS 690   3.174   9.956   4.127
  304   2HG   LYS 690          1HG       LYS 690   4.554   9.193   3.338
  305   1HD   LYS 690          2HD       LYS 690   1.806   9.584   2.152
  306   2HD   LYS 690          1HD       LYS 690   3.258  10.494   1.742
  307   1HE   LYS 690          2HE       LYS 690   3.787   7.691   1.482
  308   2HE   LYS 690          1HE       LYS 690   2.324   8.097   0.588
  309   1HZ   LYS 690          1HZ       LYS 690   4.758   8.365  -0.416
  310   2HZ   LYS 690          2HZ       LYS 690   4.576   9.906   0.257
  311   3HZ   LYS 690          3HZ       LYS 690   3.460   9.345  -0.884
  312    H    ASP 691           H        ASP 691   1.879   5.463   2.765
  313    HA   ASP 691           HA       ASP 691   0.932   6.328   0.168
  314   1HB   ASP 691          2HB       ASP 691   2.373   3.956   1.237
  315   2HB   ASP 691          1HB       ASP 691   1.422   3.729  -0.229
  316    H    TRP 692           H        TRP 692  -0.476   5.037   2.928
  317    HA   TRP 692           HA       TRP 692  -2.237   3.120   2.170
  318   1HB   TRP 692          2HB       TRP 692  -2.078   3.958   4.457
  319   2HB   TRP 692          1HB       TRP 692  -2.828   5.473   3.971
  320    HD1  TRP 692           HD       TRP 692  -5.093   5.415   5.199
  321    HE1  TRP 692           1HE      TRP 692  -7.087   3.785   5.271
  322    HE3  TRP 692           3HE      TRP 692  -3.070   1.518   2.568
  323    HZ2  TRP 692           2HZ      TRP 692  -7.719   1.205   4.337
  324    HZ3  TRP 692           3HZ      TRP 692  -4.438  -0.489   2.202
  325    HH2  TRP 692           HH       TRP 692  -6.714  -0.643   3.070
  326    H    GLU 693           H        GLU 693  -2.679   6.618   1.661
  327    HA   GLU 693           HA       GLU 693  -5.257   6.605   0.698
  328   1HB   GLU 693          2HB       GLU 693  -4.889   8.771   0.288
  329   2HB   GLU 693          1HB       GLU 693  -3.296   8.495   0.975
  330   1HG   GLU 693          2HG       GLU 693  -2.440   8.057  -1.306
  331   2HG   GLU 693          1HG       GLU 693  -4.032   8.467  -1.943
  332    H    LYS 694           H        LYS 694  -2.264   5.983  -1.113
  333    HA   LYS 694           HA       LYS 694  -3.768   5.527  -3.547
  334   1HB   LYS 694          2HB       LYS 694  -1.551   5.099  -4.555
  335   2HB   LYS 694          1HB       LYS 694  -1.645   6.659  -3.750
  336   1HG   LYS 694          2HG       LYS 694  -0.433   5.788  -1.846
  337   2HG   LYS 694          1HG       LYS 694  -0.401   4.181  -2.575
  338   1HD   LYS 694          2HD       LYS 694   1.675   4.962  -3.170
  339   2HD   LYS 694          1HD       LYS 694   0.725   5.456  -4.573
  340   1HE   LYS 694          2HE       LYS 694   0.842   7.665  -4.047
  341   2HE   LYS 694          1HE       LYS 694   0.879   7.360  -2.312
  342   1HZ   LYS 694          1HZ       LYS 694   2.995   8.154  -3.689
  343   2HZ   LYS 694          2HZ       LYS 694   3.202   6.481  -3.825
  344   3HZ   LYS 694          3HZ       LYS 694   3.114   7.199  -2.296
  345    H    HIS 695           H        HIS 695  -1.796   3.643  -1.273
  346    HA   HIS 695           HA       HIS 695  -1.927   1.206  -2.617
  347   1HB   HIS 695          2HB       HIS 695  -0.336   1.565  -0.838
  348   2HB   HIS 695          1HB       HIS 695  -1.636   1.774   0.334
  349    HD1  HIS 695           1HD      HIS 695  -0.821  -0.997  -2.174
  350    HD2  HIS 695           2HD      HIS 695  -1.811  -0.433   1.821
  351    HE1  HIS 695           1HE      HIS 695  -0.966  -3.303  -1.151
  352    H    HIS 696           H        HIS 696  -4.165   2.570  -0.211
  353    HA   HIS 696           HA       HIS 696  -5.640   0.299   0.282
  354   1HB   HIS 696          2HB       HIS 696  -7.398   1.674   1.110
  355   2HB   HIS 696          1HB       HIS 696  -5.869   2.420   1.535
  356    HD1  HIS 696           1HD      HIS 696  -8.234   2.785  -1.449
  357    HD2  HIS 696           2HD      HIS 696  -6.113   5.059   1.301
  358    HE1  HIS 696           1HE      HIS 696  -8.771   5.183  -1.991
  359    HE2  HIS 696           2HE      HIS 696  -7.406   6.539  -0.376
  360    H    HIS 697           H        HIS 697  -5.711   2.276  -2.615
  361    HA   HIS 697           HA       HIS 697  -8.233   1.490  -3.584
  362   1HB   HIS 697          2HB       HIS 697  -5.762   1.982  -5.256
  363   2HB   HIS 697          1HB       HIS 697  -7.436   2.122  -5.770
  364    HD1  HIS 697           1HD      HIS 697  -8.727   4.022  -3.984
  365    HD2  HIS 697           2HD      HIS 697  -4.720   4.432  -4.998
  366    HE1  HIS 697           1HE      HIS 697  -8.180   6.448  -3.608
  367    HE2  HIS 697           2HE      HIS 697  -5.729   6.652  -4.143
  368    H    ILE 698           H        ILE 698  -5.118  -0.122  -3.492
  369    HA   ILE 698           HA       ILE 698  -6.191  -2.342  -5.083
  370    HB   ILE 698           HB       ILE 698  -3.896  -3.119  -5.311
  371   1HG1  ILE 698          2HG1      ILE 698  -2.739  -0.620  -4.236
  372   2HG1  ILE 698          1HG1      ILE 698  -3.352  -1.755  -3.037
  373   1HG2  ILE 698          1HG2      ILE 698  -4.497  -0.284  -6.066
  374   2HG2  ILE 698          2HG2      ILE 698  -4.607  -1.739  -7.056
  375   3HG2  ILE 698          3HG2      ILE 698  -3.028  -1.106  -6.592
  376   1HD1  ILE 698          1HD1      ILE 698  -1.541  -2.992  -3.242
  377   2HD1  ILE 698          2HD1      ILE 698  -0.889  -1.808  -4.377
  378   3HD1  ILE 698          3HD1      ILE 698  -1.829  -3.178  -4.971
  379    H    CYS 699           H        CYS 699  -5.848  -1.564  -1.855
  380    HA   CYS 699           HA       CYS 699  -4.809  -3.985  -0.838
  381   1HB   CYS 699          2HB       CYS 699  -5.255  -1.636   0.308
  382   2HB   CYS 699          1HB       CYS 699  -6.777  -2.400   0.754
  383    H    GLY 700           H        GLY 700  -5.677  -5.821  -1.443
  384   1HA   GLY 700          2HA       GLY 700  -7.832  -7.002  -0.341
  385   2HA   GLY 700          1HA       GLY 700  -8.541  -6.153  -1.708
  386    H    GLN 701           H        GLN 701  -5.728  -6.672  -3.000
  387    HA   GLN 701           HA       GLN 701  -6.499  -9.296  -4.069
  388   1HB   GLN 701          2HB       GLN 701  -5.936  -7.004  -5.408
  389   2HB   GLN 701          1HB       GLN 701  -4.352  -7.767  -5.403
  390   1HG   GLN 701          2HG       GLN 701  -5.466  -9.825  -6.325
  391   2HG   GLN 701          1HG       GLN 701  -6.915  -8.843  -6.543
  392   1HE2  GLN 701          1HE2      GLN 701  -5.793  -6.460  -7.350
  393   2HE2  GLN 701          2HE2      GLN 701  -5.049  -6.672  -8.895
  394    H    THR 702           H        THR 702  -5.390 -11.024  -3.467
  395    HA   THR 702           HA       THR 702  -3.177 -10.947  -1.752
  396    HB   THR 702           HB       THR 702  -2.971 -13.375  -2.242
  397    HG1  THR 702           1HG      THR 702  -5.094 -12.942  -4.066
  398   1HG2  THR 702          1HG2      THR 702  -5.889 -13.102  -2.093
  399   2HG2  THR 702          2HG2      THR 702  -4.974 -12.203  -0.881
  400   3HG2  THR 702          3HG2      THR 702  -4.764 -13.947  -1.030
  401    H    LEU 703           H        LEU 703  -3.219 -12.109  -5.128
  402    HA   LEU 703           HA       LEU 703  -0.580 -10.897  -5.517
  403   1HB   LEU 703          2HB       LEU 703  -0.975 -13.646  -5.146
  404   2HB   LEU 703          1HB       LEU 703  -0.750 -13.446  -6.873
  405    HG   LEU 703           HG       LEU 703   1.333 -12.027  -6.148
  406   1HD1  LEU 703          1HD1      LEU 703   0.786 -12.084  -3.750
  407   2HD1  LEU 703          2HD1      LEU 703   2.361 -12.798  -4.097
  408   3HD1  LEU 703          3HD1      LEU 703   0.976 -13.837  -3.763
  409   1HD2  LEU 703          1HD2      LEU 703   1.593 -13.982  -7.459
  410   2HD2  LEU 703          2HD2      LEU 703   1.131 -15.030  -6.116
  411   3HD2  LEU 703          3HD2      LEU 703   2.668 -14.167  -6.073
  412    H    GLN 704           H        GLN 704  -0.234 -10.075  -7.527
  413    HA   GLN 704           HA       GLN 704  -2.515 -10.164  -9.365
  414   1HB   GLN 704          2HB       GLN 704  -1.252  -8.008  -8.435
  415   2HB   GLN 704          1HB       GLN 704  -0.216  -8.328  -9.819
  416   1HG   GLN 704          2HG       GLN 704  -2.787  -8.530 -10.832
  417   2HG   GLN 704          1HG       GLN 704  -2.862  -7.171  -9.710
  418   1HE2  GLN 704          1HE2      GLN 704  -1.098  -5.550  -9.950
  419   2HE2  GLN 704          2HE2      GLN 704  -0.584  -5.159 -11.552
  420    H    ALA 705           H        ALA 705  -1.993 -10.128 -11.722
  421    HA   ALA 705           HA       ALA 705   0.395 -11.734 -12.341
  422   1HB   ALA 705          1HB       ALA 705  -2.052 -12.236 -13.931
  423   2HB   ALA 705          2HB       ALA 705  -2.014 -12.871 -12.286
  424   3HB   ALA 705          3HB       ALA 705  -0.768 -13.342 -13.441
  425    H    GLN 706           H        GLN 706   1.519 -11.134 -14.110
  426    HA   GLN 706           HA       GLN 706   0.324  -9.097 -15.870
  427   1HB   GLN 706          2HB       GLN 706   2.717  -8.937 -14.223
  428   2HB   GLN 706          1HB       GLN 706   3.068  -8.626 -15.918
  429   1HG   GLN 706          2HG       GLN 706   0.757  -7.169 -15.380
  430   2HG   GLN 706          1HG       GLN 706   1.786  -6.945 -13.966
  431   1HE2  GLN 706          1HE2      GLN 706   1.854  -6.849 -17.502
  432   2HE2  GLN 706          2HE2      GLN 706   2.996  -5.558 -17.621
  433    H    GLN 707           H        GLN 707   2.907 -11.516 -15.554
  434    HA   GLN 707           HA       GLN 707   2.788 -11.914 -18.470
  435   1HB   GLN 707          2HB       GLN 707   4.985 -11.216 -17.320
  436   2HB   GLN 707          1HB       GLN 707   5.028 -12.860 -16.697
  437   1HG   GLN 707          2HG       GLN 707   4.525 -12.876 -19.524
  438   2HG   GLN 707          1HG       GLN 707   5.971 -11.937 -19.159
  439   1HE2  GLN 707          1HE2      GLN 707   4.634 -15.031 -19.487
  440   2HE2  GLN 707          2HE2      GLN 707   6.010 -15.945 -18.978
  Start of MODEL   12
    1    H    THR1101           H        THR1101  -6.757  10.699   6.286
    2    HA   THR1101           HA       THR1101  -8.935  11.240   7.331
    3    HB   THR1101           HB       THR1101  -9.537  12.473   4.658
    4    HG1  THR1101           1HG      THR1101  -8.491  13.756   6.946
    5   1HG2  THR1101          1HG2      THR1101 -11.442  13.355   5.652
    6   2HG2  THR1101          2HG2      THR1101 -10.823  13.103   7.283
    7   3HG2  THR1101          3HG2      THR1101 -11.335  11.724   6.310
    8    H    ILE1102           H        ILE1102  -7.948   8.980   6.715
    9    HA   ILE1102           HA       ILE1102  -9.791   7.800   4.756
   10    HB   ILE1102           HB       ILE1102  -6.924   6.904   5.014
   11   1HG1  ILE1102          2HG1      ILE1102  -8.074   8.504   2.728
   12   2HG1  ILE1102          1HG1      ILE1102  -7.226   9.258   4.073
   13   1HG2  ILE1102          1HG2      ILE1102  -7.494   5.822   2.800
   14   2HG2  ILE1102          2HG2      ILE1102  -9.177   6.216   3.147
   15   3HG2  ILE1102          3HG2      ILE1102  -8.282   5.143   4.224
   16   1HD1  ILE1102          1HD1      ILE1102  -5.250   8.760   3.205
   17   2HD1  ILE1102          2HD1      ILE1102  -6.111   8.293   1.737
   18   3HD1  ILE1102          3HD1      ILE1102  -5.706   7.076   2.948
   19    H    SER1103           H        SER1103 -10.121   5.475   5.067
   20    HA   SER1103           HA       SER1103 -10.748   4.812   7.693
   21   1HB   SER1103          2HB       SER1103 -10.170   2.782   5.533
   22   2HB   SER1103          1HB       SER1103 -11.291   2.633   6.886
   23    HG   SER1103           HG       SER1103 -12.284   3.145   4.832
   24    H    ASN1104           H        ASN1104  -9.912   2.746   8.790
   25    HA   ASN1104           HA       ASN1104  -7.053   3.093   9.175
   26   1HB   ASN1104          2HB       ASN1104  -9.296   2.122  10.771
   27   2HB   ASN1104          1HB       ASN1104  -7.871   1.097  10.910
   28   1HD2  ASN1104          1HD2      ASN1104  -9.400   3.528  12.347
   29   2HD2  ASN1104          2HD2      ASN1104  -8.069   4.374  13.054
   30    HA   PRO1105           HA       PRO1105  -6.415  -0.420   6.408
   31   1HB   PRO1105          2HB       PRO1105  -3.693  -0.332   6.495
   32   2HB   PRO1105          1HB       PRO1105  -4.665   0.725   5.467
   33   1HG   PRO1105          2HG       PRO1105  -3.426   1.291   8.131
   34   2HG   PRO1105          1HG       PRO1105  -3.487   2.317   6.686
   35   1HD   PRO1105          2HD       PRO1105  -5.155   2.677   8.774
   36   2HD   PRO1105          1HD       PRO1105  -5.659   2.987   7.100
   37    HA   PRO1106           HA       PRO1106  -5.938  -3.814   9.198
   38   1HB   PRO1106          2HB       PRO1106  -4.227  -5.010   7.070
   39   2HB   PRO1106          1HB       PRO1106  -5.635  -5.688   7.897
   40   1HG   PRO1106          2HG       PRO1106  -5.840  -4.788   5.403
   41   2HG   PRO1106          1HG       PRO1106  -7.141  -4.519   6.576
   42   1HD   PRO1106          2HD       PRO1106  -5.084  -2.613   5.551
   43   2HD   PRO1106          1HD       PRO1106  -6.786  -2.322   5.968
   44    HA   PRO1107           HA       PRO1107  -2.003  -3.566  11.178
   45   1HB   PRO1107          2HB       PRO1107  -1.531  -6.099  12.022
   46   2HB   PRO1107          1HB       PRO1107  -2.766  -5.063  12.746
   47   1HG   PRO1107          2HG       PRO1107  -3.071  -7.236  10.710
   48   2HG   PRO1107          1HG       PRO1107  -4.072  -6.887  12.131
   49   1HD   PRO1107          2HD       PRO1107  -4.783  -6.145   9.623
   50   2HD   PRO1107          1HD       PRO1107  -5.225  -5.203  11.061
   51    H    LEU1108           H        LEU1108   0.241  -4.080  11.059
   52    HA   LEU1108           HA       LEU1108   1.023  -5.112   8.435
   53   1HB   LEU1108          2HB       LEU1108   2.443  -3.445  10.500
   54   2HB   LEU1108          1HB       LEU1108   3.285  -4.146   9.132
   55    HG   LEU1108           HG       LEU1108   1.024  -2.149   8.989
   56   1HD1  LEU1108          1HD1      LEU1108   2.780  -0.811   9.524
   57   2HD1  LEU1108          2HD1      LEU1108   3.062  -0.937   7.787
   58   3HD1  LEU1108          3HD1      LEU1108   3.980  -1.945   8.905
   59   1HD2  LEU1108          1HD2      LEU1108   2.342  -3.855   6.959
   60   2HD2  LEU1108          2HD2      LEU1108   2.032  -2.175   6.519
   61   3HD2  LEU1108          3HD2      LEU1108   0.699  -3.217   7.014
   62    H    ILE1109           H        ILE1109   2.550  -6.745   8.166
   63    HA   ILE1109           HA       ILE1109   3.073  -8.359  10.576
   64    HB   ILE1109           HB       ILE1109   3.440 -10.189   8.672
   65   1HG1  ILE1109          2HG1      ILE1109   1.178  -8.582   7.502
   66   2HG1  ILE1109          1HG1      ILE1109   2.834  -8.409   6.933
   67   1HG2  ILE1109          1HG2      ILE1109   1.755  -9.963  10.660
   68   2HG2  ILE1109          2HG2      ILE1109   1.470 -11.141   9.379
   69   3HG2  ILE1109          3HG2      ILE1109   0.601  -9.606   9.374
   70   1HD1  ILE1109          1HD1      ILE1109   1.177 -10.035   5.748
   71   2HD1  ILE1109          2HD1      ILE1109   1.635 -11.125   7.058
   72   3HD1  ILE1109          3HD1      ILE1109   2.867 -10.482   5.972
   73    H    SER1110           H        SER1110   5.129  -8.521  11.173
   74    HA   SER1110           HA       SER1110   7.221  -7.541   9.436
   75   1HB   SER1110          2HB       SER1110   8.577  -8.403  11.594
   76   2HB   SER1110          1HB       SER1110   7.750  -6.846  11.546
   77    HG   SER1110           HG       SER1110   6.922  -7.708  13.325
   78    H    SER1111           H        SER1111   8.533  -8.735   8.218
   79    HA   SER1111           HA       SER1111   8.602 -11.645   8.689
   80   1HB   SER1111          2HB       SER1111   8.821 -11.969   6.276
   81   2HB   SER1111          1HB       SER1111   7.353 -11.060   6.636
   82    HG   SER1111           HG       SER1111   9.830  -9.937   5.817
   83    H    ALA1112           H        ALA1112  10.524 -12.255   9.406
   84    HA   ALA1112           HA       ALA1112  12.928 -11.243   8.096
   85   1HB   ALA1112          1HB       ALA1112  12.257  -9.990  10.328
   86   2HB   ALA1112          2HB       ALA1112  13.938 -10.359   9.940
   87   3HB   ALA1112          3HB       ALA1112  13.045 -11.387  11.061
   88    H    LYS1113           H        LYS1113  14.004 -12.978   7.446
   89    HA   LYS1113           HA       LYS1113  13.937 -15.393   9.133
   90   1HB   LYS1113          2HB       LYS1113  14.293 -15.185   6.138
   91   2HB   LYS1113          1HB       LYS1113  14.348 -16.678   7.063
   92   1HG   LYS1113          2HG       LYS1113  12.174 -16.875   6.690
   93   2HG   LYS1113          1HG       LYS1113  11.935 -15.512   7.785
   94   1HD   LYS1113          2HD       LYS1113  11.808 -13.973   6.027
   95   2HD   LYS1113          1HD       LYS1113  12.553 -15.086   4.879
   96   1HE   LYS1113          2HE       LYS1113   9.775 -15.185   6.030
   97   2HE   LYS1113          1HE       LYS1113  10.247 -15.001   4.341
   98   1HZ   LYS1113          1HZ       LYS1113  10.362 -17.419   6.030
   99   2HZ   LYS1113          2HZ       LYS1113  11.307 -17.289   4.634
  100   3HZ   LYS1113          3HZ       LYS1113   9.622 -17.215   4.523
  101    H    ASP 658           H        ASP 658  19.477  -6.690  -7.566
  102    HA   ASP 658           HA       ASP 658  17.107  -7.671  -8.935
  103   1HB   ASP 658          2HB       ASP 658  18.399  -8.447  -6.313
  104   2HB   ASP 658          1HB       ASP 658  16.939  -9.197  -6.950
  105    H    SER 659           H        SER 659  15.209  -8.112  -7.241
  106    HA   SER 659           HA       SER 659  14.677  -5.572  -5.846
  107   1HB   SER 659          2HB       SER 659  13.437  -5.996  -8.089
  108   2HB   SER 659          1HB       SER 659  12.489  -7.161  -7.164
  109    HG   SER 659           HG       SER 659  12.743  -4.376  -6.715
  110    H    SER 660           H        SER 660  14.541  -5.935  -3.740
  111    HA   SER 660           HA       SER 660  12.725  -7.843  -2.656
  112   1HB   SER 660          2HB       SER 660  15.414  -8.731  -3.106
  113   2HB   SER 660          1HB       SER 660  15.127  -8.634  -1.368
  114    HG   SER 660           HG       SER 660  13.307  -9.956  -1.656
  115    H    GLU 661           H        GLU 661  12.015  -7.122  -0.745
  116    HA   GLU 661           HA       GLU 661  11.787  -5.841   1.120
  117   1HB   GLU 661          2HB       GLU 661  14.810  -5.873   1.116
  118   2HB   GLU 661          1HB       GLU 661  13.788  -5.427   2.474
  119   1HG   GLU 661          2HG       GLU 661  12.833  -7.734   2.405
  120   2HG   GLU 661          1HG       GLU 661  14.056  -8.137   1.202
  121    H    SER 662           H        SER 662  10.891  -3.950   0.534
  122    HA   SER 662           HA       SER 662  12.499  -1.609   0.460
  123   1HB   SER 662          2HB       SER 662  11.377  -1.056  -1.927
  124   2HB   SER 662          1HB       SER 662  12.989  -1.748  -1.756
  125    HG   SER 662           HG       SER 662  12.148  -3.769  -2.161
  126    H    CYS 663           H        CYS 663  11.350  -0.006   1.310
  127    HA   CYS 663           HA       CYS 663   8.626  -0.348   2.002
  128   1HB   CYS 663          2HB       CYS 663  10.458   1.036   3.177
  129   2HB   CYS 663          1HB       CYS 663  10.065   2.289   2.009
  130    H    TRP 664           H        TRP 664   6.842   0.103   0.892
  131    HA   TRP 664           HA       TRP 664   6.896   1.006  -1.771
  132   1HB   TRP 664          2HB       TRP 664   4.657   0.681   0.221
  133   2HB   TRP 664          1HB       TRP 664   4.372   1.236  -1.425
  134    HD1  TRP 664           HD       TRP 664   6.895  -1.543  -0.621
  135    HE1  TRP 664           1HE      TRP 664   6.064  -3.733  -1.685
  136    HE3  TRP 664           3HE      TRP 664   2.302   0.028  -2.245
  137    HZ2  TRP 664           2HZ      TRP 664   3.769  -4.672  -3.035
  138    HZ3  TRP 664           3HZ      TRP 664   0.854  -1.582  -3.412
  139    HH2  TRP 664           HH       TRP 664   1.571  -3.879  -3.798
  140    H    ASN 665           H        ASN 665   6.829   2.727   1.204
  141    HA   ASN 665           HA       ASN 665   5.946   5.198  -0.108
  142   1HB   ASN 665          2HB       ASN 665   4.727   4.970   1.858
  143   2HB   ASN 665          1HB       ASN 665   6.082   4.277   2.740
  144   1HD2  ASN 665          1HD2      ASN 665   6.724   5.558   4.298
  145   2HD2  ASN 665          2HD2      ASN 665   6.809   7.282   4.241
  146    H    CYS 666           H        CYS 666   8.417   4.311   2.318
  147    HA   CYS 666           HA       CYS 666   9.981   6.582   2.048
  148   1HB   CYS 666          2HB       CYS 666  10.730   3.780   2.870
  149   2HB   CYS 666          1HB       CYS 666  11.853   5.130   2.950
  150    H    GLY 667           H        GLY 667  10.722   3.379   0.591
  151   1HA   GLY 667          2HA       GLY 667  11.338   3.156  -1.708
  152   2HA   GLY 667          1HA       GLY 667  11.877   4.828  -1.691
  153    H    ARG 668           H        ARG 668  12.719   2.757   0.954
  154    HA   ARG 668           HA       ARG 668  15.439   2.474  -0.136
  155   1HB   ARG 668          2HB       ARG 668  14.617   3.971   2.139
  156   2HB   ARG 668          1HB       ARG 668  15.528   2.584   2.718
  157   1HG   ARG 668          2HG       ARG 668  17.195   3.334   0.812
  158   2HG   ARG 668          1HG       ARG 668  16.414   4.892   1.081
  159   1HD   ARG 668          2HD       ARG 668  17.587   3.217   3.291
  160   2HD   ARG 668          1HD       ARG 668  18.491   4.468   2.439
  161    HE   ARG 668           HE       ARG 668  16.012   5.426   3.499
  162   1HH1  ARG 668          1HH1      ARG 668  19.338   4.723   4.290
  163   2HH1  ARG 668          2HH1      ARG 668  19.393   5.848   5.606
  164   1HH2  ARG 668          1HH2      ARG 668  16.083   6.906   5.228
  165   2HH2  ARG 668          2HH2      ARG 668  17.545   7.087   6.138
  166    H    LYS 669           H        LYS 669  13.542   1.363   2.680
  167    HA   LYS 669           HA       LYS 669  13.734  -1.377   1.844
  168   1HB   LYS 669          2HB       LYS 669  15.111  -2.227   3.572
  169   2HB   LYS 669          1HB       LYS 669  15.982  -0.862   2.892
  170   1HG   LYS 669          2HG       LYS 669  16.272  -0.482   5.124
  171   2HG   LYS 669          1HG       LYS 669  14.808   0.458   4.828
  172   1HD   LYS 669          2HD       LYS 669  13.888  -0.706   6.499
  173   2HD   LYS 669          1HD       LYS 669  13.848  -2.073   5.383
  174   1HE   LYS 669          2HE       LYS 669  16.020  -2.815   6.185
  175   2HE   LYS 669          1HE       LYS 669  16.123  -1.417   7.254
  176   1HZ   LYS 669          1HZ       LYS 669  13.850  -3.276   7.475
  177   2HZ   LYS 669          2HZ       LYS 669  14.516  -2.260   8.651
  178   3HZ   LYS 669          3HZ       LYS 669  15.332  -3.668   8.191
  179    H    ALA 670           H        ALA 670  12.468  -2.800   3.123
  180    HA   ALA 670           HA       ALA 670  10.848  -1.596   5.239
  181   1HB   ALA 670          1HB       ALA 670   9.238  -1.226   3.695
  182   2HB   ALA 670          2HB       ALA 670   8.893  -2.932   3.981
  183   3HB   ALA 670          3HB       ALA 670   9.864  -2.450   2.590
  184    H    SER 671           H        SER 671  10.110  -3.032   6.776
  185    HA   SER 671           HA       SER 671  10.960  -5.833   6.436
  186   1HB   SER 671          2HB       SER 671  11.398  -3.911   8.638
  187   2HB   SER 671          1HB       SER 671  10.944  -5.542   9.130
  188    HG   SER 671           HG       SER 671  12.999  -5.064   7.250
  189    H    GLU 672           H        GLU 672   8.298  -3.848   6.781
  190    HA   GLU 672           HA       GLU 672   6.739  -5.968   8.103
  191   1HB   GLU 672          2HB       GLU 672   5.621  -3.230   7.663
  192   2HB   GLU 672          1HB       GLU 672   5.271  -4.386   8.937
  193   1HG   GLU 672          2HG       GLU 672   7.926  -3.006   8.740
  194   2HG   GLU 672          1HG       GLU 672   6.550  -2.278   9.567
  195    H    THR 673           H        THR 673   4.595  -6.395   7.259
  196    HA   THR 673           HA       THR 673   4.280  -5.737   4.415
  197    HB   THR 673           HB       THR 673   4.101  -8.490   5.655
  198    HG1  THR 673           1HG      THR 673   6.139  -8.285   5.090
  199   1HG2  THR 673          1HG2      THR 673   3.463  -9.378   3.550
  200   2HG2  THR 673          2HG2      THR 673   3.589  -7.798   2.774
  201   3HG2  THR 673          3HG2      THR 673   2.312  -8.104   3.954
  202    H    CYS 674           H        CYS 674   2.226  -5.413   3.712
  203    HA   CYS 674           HA       CYS 674   0.218  -4.839   5.628
  204   1HB   CYS 674          2HB       CYS 674   0.329  -3.630   3.519
  205   2HB   CYS 674          1HB       CYS 674   0.075  -5.118   2.617
  206    H    SER 675           H        SER 675  -0.591  -6.481   6.801
  207    HA   SER 675           HA       SER 675  -0.890  -9.131   5.904
  208   1HB   SER 675          2HB       SER 675  -1.982  -9.560   7.987
  209   2HB   SER 675          1HB       SER 675  -0.725  -8.363   8.301
  210    HG   SER 675           HG       SER 675  -3.504  -7.888   7.985
  211    H    GLY 676           H        GLY 676  -2.753  -6.427   5.136
  212   1HA   GLY 676          2HA       GLY 676  -5.306  -7.751   4.989
  213   2HA   GLY 676          1HA       GLY 676  -4.916  -6.161   4.351
  214    H    CYS 677           H        CYS 677  -2.830  -6.790   2.634
  215    HA   CYS 677           HA       CYS 677  -4.212  -8.462   0.643
  216   1HB   CYS 677          2HB       CYS 677  -3.003  -7.097  -1.064
  217   2HB   CYS 677          1HB       CYS 677  -4.143  -6.174  -0.091
  218    H    ASN 678           H        ASN 678  -1.428  -8.195   2.561
  219    HA   ASN 678           HA       ASN 678   0.502  -9.386   2.701
  220   1HB   ASN 678          2HB       ASN 678  -1.412 -11.185   1.387
  221   2HB   ASN 678          1HB       ASN 678   0.274 -11.590   1.079
  222   1HD2  ASN 678          1HD2      ASN 678   1.323 -12.720   2.558
  223   2HD2  ASN 678          2HD2      ASN 678   0.785 -13.008   4.174
  224    H    THR 679           H        THR 679   0.010  -7.431   0.455
  225    HA   THR 679           HA       THR 679   2.155  -8.372  -1.330
  226    HB   THR 679           HB       THR 679  -0.192  -6.590  -1.988
  227    HG1  THR 679           1HG      THR 679  -1.084  -8.347  -2.660
  228   1HG2  THR 679          1HG2      THR 679   2.333  -6.935  -3.359
  229   2HG2  THR 679          2HG2      THR 679   1.033  -5.777  -3.646
  230   3HG2  THR 679          3HG2      THR 679   0.954  -7.388  -4.361
  231    H    ALA 680           H        ALA 680   0.766  -5.621   0.355
  232    HA   ALA 680           HA       ALA 680   2.769  -3.767  -0.499
  233   1HB   ALA 680          1HB       ALA 680   1.185  -2.371   0.177
  234   2HB   ALA 680          2HB       ALA 680   1.576  -2.791   1.845
  235   3HB   ALA 680          3HB       ALA 680   0.319  -3.678   0.983
  236    H    ARG 681           H        ARG 681   4.334  -2.738   0.837
  237    HA   ARG 681           HA       ARG 681   5.138  -4.197   3.249
  238   1HB   ARG 681          2HB       ARG 681   6.930  -3.556   0.899
  239   2HB   ARG 681          1HB       ARG 681   7.522  -4.070   2.474
  240   1HG   ARG 681          2HG       ARG 681   5.499  -5.789   1.169
  241   2HG   ARG 681          1HG       ARG 681   7.117  -5.761   0.466
  242   1HD   ARG 681          2HD       ARG 681   6.734  -6.139   3.411
  243   2HD   ARG 681          1HD       ARG 681   6.568  -7.501   2.303
  244    HE   ARG 681           HE       ARG 681   9.005  -5.995   1.981
  245   1HH1  ARG 681          1HH1      ARG 681   7.455  -8.645   3.642
  246   2HH1  ARG 681          2HH1      ARG 681   8.942  -9.455   3.997
  247   1HH2  ARG 681          1HH2      ARG 681  10.961  -7.059   2.450
  248   2HH2  ARG 681          2HH2      ARG 681  10.933  -8.555   3.322
  249    H    TYR 682           H        TYR 682   6.090  -2.932   4.822
  250    HA   TYR 682           HA       TYR 682   6.892  -0.215   4.219
  251   1HB   TYR 682          2HB       TYR 682   4.545  -0.828   6.023
  252   2HB   TYR 682          1HB       TYR 682   5.378   0.723   5.994
  253    HD1  TYR 682           1HD      TYR 682   2.869  -1.328   4.446
  254    HD2  TYR 682           2HD      TYR 682   5.381   2.052   3.839
  255    HE1  TYR 682           1HE      TYR 682   1.423  -0.593   2.598
  256    HE2  TYR 682           2HE      TYR 682   3.940   2.796   1.990
  257    HH   TYR 682           HH       TYR 682   2.319   1.699   0.361
  258    H    CYS 683           H        CYS 683   8.186   0.715   5.844
  259    HA   CYS 683           HA       CYS 683   9.300  -1.251   7.681
  260   1HB   CYS 683          2HB       CYS 683  11.199   0.207   7.885
  261   2HB   CYS 683          1HB       CYS 683  10.795   0.068   6.179
  262    H    GLY 684           H        GLY 684   7.186   1.464   7.754
  263   1HA   GLY 684          2HA       GLY 684   7.090   1.247  10.662
  264   2HA   GLY 684          1HA       GLY 684   7.487   2.827  10.006
  265    H    SER 685           H        SER 685   5.193   1.977  11.612
  266    HA   SER 685           HA       SER 685   2.834   1.606  10.274
  267   1HB   SER 685          2HB       SER 685   1.915   3.200  12.185
  268   2HB   SER 685          1HB       SER 685   2.536   1.591  12.554
  269    HG   SER 685           HG       SER 685   3.397   3.261  13.911
  270    H    PHE 686           H        PHE 686   4.694   4.579  10.543
  271    HA   PHE 686           HA       PHE 686   2.653   6.277   9.510
  272   1HB   PHE 686          2HB       PHE 686   4.399   7.960   9.303
  273   2HB   PHE 686          1HB       PHE 686   4.541   7.135  10.851
  274    HD1  PHE 686           1HD      PHE 686   6.143   7.914   7.718
  275    HD2  PHE 686           2HD      PHE 686   6.338   5.449  11.181
  276    HE1  PHE 686           1HE      PHE 686   8.504   7.420   7.229
  277    HE2  PHE 686           2HE      PHE 686   8.698   4.949  10.697
  278    HZ   PHE 686           HZ       PHE 686   9.785   5.937   8.720
  279    H    CYS 687           H        CYS 687   5.248   4.390   8.081
  280    HA   CYS 687           HA       CYS 687   5.179   5.513   5.506
  281   1HB   CYS 687          2HB       CYS 687   5.862   2.653   6.192
  282   2HB   CYS 687          1HB       CYS 687   6.405   3.573   4.791
  283    H    GLN 688           H        GLN 688   3.436   2.750   6.886
  284    HA   GLN 688           HA       GLN 688   2.162   2.001   4.486
  285   1HB   GLN 688          2HB       GLN 688   0.738   0.613   5.814
  286   2HB   GLN 688          1HB       GLN 688   2.363   0.534   6.472
  287   1HG   GLN 688          2HG       GLN 688   1.637   1.160   8.461
  288   2HG   GLN 688          1HG       GLN 688   0.904   2.610   7.786
  289   1HE2  GLN 688          1HE2      GLN 688   0.089  -0.720   7.025
  290   2HE2  GLN 688          2HE2      GLN 688  -1.523  -0.656   7.633
  291    H    HIS 689           H        HIS 689   1.268   4.263   7.037
  292    HA   HIS 689           HA       HIS 689  -1.353   4.772   6.063
  293   1HB   HIS 689          2HB       HIS 689   0.448   5.957   8.101
  294   2HB   HIS 689          1HB       HIS 689  -0.824   6.999   7.472
  295    HD1  HIS 689           1HD      HIS 689  -1.572   6.744  10.110
  296    HD2  HIS 689           2HD      HIS 689  -2.118   3.460   7.624
  297    HE1  HIS 689           1HE      HIS 689  -3.240   5.278  11.292
  298    HE2  HIS 689           2HE      HIS 689  -3.490   3.255   9.809
  299    H    LYS 690           H        LYS 690   1.796   6.241   5.522
  300    HA   LYS 690           HA       LYS 690   1.012   8.569   4.206
  301   1HB   LYS 690          2HB       LYS 690   3.370   7.685   4.945
  302   2HB   LYS 690          1HB       LYS 690   3.431   7.047   3.309
  303   1HG   LYS 690          2HG       LYS 690   3.145   9.927   4.131
  304   2HG   LYS 690          1HG       LYS 690   4.531   9.166   3.352
  305   1HD   LYS 690          2HD       LYS 690   1.787   9.535   2.152
  306   2HD   LYS 690          1HD       LYS 690   3.237  10.450   1.741
  307   1HE   LYS 690          2HE       LYS 690   3.805   7.662   1.497
  308   2HE   LYS 690          1HE       LYS 690   2.320   8.020   0.620
  309   1HZ   LYS 690          1HZ       LYS 690   4.715   9.708   0.282
  310   2HZ   LYS 690          2HZ       LYS 690   3.401   9.509  -0.764
  311   3HZ   LYS 690          3HZ       LYS 690   4.539   8.271  -0.594
  312    H    ASP 691           H        ASP 691   1.867   5.412   2.812
  313    HA   ASP 691           HA       ASP 691   0.935   6.236   0.197
  314   1HB   ASP 691          2HB       ASP 691   2.371   3.882   1.309
  315   2HB   ASP 691          1HB       ASP 691   1.428   3.631  -0.157
  316    H    TRP 692           H        TRP 692  -0.486   4.971   2.970
  317    HA   TRP 692           HA       TRP 692  -2.252   3.053   2.208
  318   1HB   TRP 692          2HB       TRP 692  -2.101   3.895   4.497
  319   2HB   TRP 692          1HB       TRP 692  -2.840   5.414   4.005
  320    HD1  TRP 692           HD       TRP 692  -5.103   5.366   5.237
  321    HE1  TRP 692           1HE      TRP 692  -7.110   3.751   5.302
  322    HE3  TRP 692           3HE      TRP 692  -3.110   1.464   2.592
  323    HZ2  TRP 692           2HZ      TRP 692  -7.762   1.180   4.357
  324    HZ3  TRP 692           3HZ      TRP 692  -4.493  -0.532   2.219
  325    HH2  TRP 692           HH       TRP 692  -6.771  -0.671   3.084
  326    H    GLU 693           H        GLU 693  -2.644   6.551   1.684
  327    HA   GLU 693           HA       GLU 693  -5.214   6.595   0.722
  328   1HB   GLU 693          2HB       GLU 693  -4.787   8.748   0.320
  329   2HB   GLU 693          1HB       GLU 693  -3.191   8.426   0.979
  330   1HG   GLU 693          2HG       GLU 693  -2.358   8.001  -1.295
  331   2HG   GLU 693          1HG       GLU 693  -3.960   8.376  -1.932
  332    H    LYS 694           H        LYS 694  -2.245   6.036  -1.194
  333    HA   LYS 694           HA       LYS 694  -3.849   5.548  -3.543
  334   1HB   LYS 694          2HB       LYS 694  -1.664   5.190  -4.665
  335   2HB   LYS 694          1HB       LYS 694  -1.812   6.753  -3.876
  336   1HG   LYS 694          2HG       LYS 694  -0.636   4.695  -2.180
  337   2HG   LYS 694          1HG       LYS 694   0.300   5.046  -3.631
  338   1HD   LYS 694          2HD       LYS 694  -0.656   7.067  -1.607
  339   2HD   LYS 694          1HD       LYS 694   0.993   6.457  -1.759
  340   1HE   LYS 694          2HE       LYS 694   0.712   7.292  -4.238
  341   2HE   LYS 694          1HE       LYS 694  -0.520   8.326  -3.516
  342   1HZ   LYS 694          1HZ       LYS 694   1.493   8.704  -1.823
  343   2HZ   LYS 694          2HZ       LYS 694   1.237   9.670  -3.187
  344   3HZ   LYS 694          3HZ       LYS 694   2.369   8.414  -3.241
  345    H    HIS 695           H        HIS 695  -1.944   3.669  -1.229
  346    HA   HIS 695           HA       HIS 695  -1.988   1.260  -2.691
  347   1HB   HIS 695          2HB       HIS 695  -0.377   1.594  -0.917
  348   2HB   HIS 695          1HB       HIS 695  -1.665   1.748   0.273
  349    HD1  HIS 695           1HD      HIS 695  -0.752  -0.929  -2.304
  350    HD2  HIS 695           2HD      HIS 695  -1.881  -0.513   1.672
  351    HE1  HIS 695           1HE      HIS 695  -0.885  -3.269  -1.360
  352    H    HIS 696           H        HIS 696  -4.202   2.582  -0.250
  353    HA   HIS 696           HA       HIS 696  -5.676   0.302   0.218
  354   1HB   HIS 696          2HB       HIS 696  -7.426   1.668   1.088
  355   2HB   HIS 696          1HB       HIS 696  -5.888   2.389   1.526
  356    HD1  HIS 696           1HD      HIS 696  -8.285   2.852  -1.418
  357    HD2  HIS 696           2HD      HIS 696  -6.088   5.036   1.344
  358    HE1  HIS 696           1HE      HIS 696  -8.808   5.270  -1.889
  359    HE2  HIS 696           2HE      HIS 696  -7.394   6.571  -0.271
  360    H    HIS 697           H        HIS 697  -5.749   2.334  -2.635
  361    HA   HIS 697           HA       HIS 697  -8.279   1.535  -3.607
  362   1HB   HIS 697          2HB       HIS 697  -5.848   2.133  -5.302
  363   2HB   HIS 697          1HB       HIS 697  -7.537   2.285  -5.764
  364    HD1  HIS 697           1HD      HIS 697  -8.814   4.137  -3.977
  365    HD2  HIS 697           2HD      HIS 697  -4.777   4.545  -4.869
  366    HE1  HIS 697           1HE      HIS 697  -8.255   6.541  -3.493
  367    HE2  HIS 697           2HE      HIS 697  -5.791   6.742  -3.962
  368    H    ILE 698           H        ILE 698  -5.117   0.024  -3.580
  369    HA   ILE 698           HA       ILE 698  -6.108  -2.170  -5.249
  370    HB   ILE 698           HB       ILE 698  -3.493  -2.794  -4.784
  371   1HG1  ILE 698          2HG1      ILE 698  -3.722   0.215  -4.978
  372   2HG1  ILE 698          1HG1      ILE 698  -2.982  -0.711  -3.675
  373   1HG2  ILE 698          1HG2      ILE 698  -4.358  -1.041  -7.058
  374   2HG2  ILE 698          2HG2      ILE 698  -4.879  -2.718  -6.904
  375   3HG2  ILE 698          3HG2      ILE 698  -3.163  -2.339  -7.057
  376   1HD1  ILE 698          1HD1      ILE 698  -1.774   0.321  -5.991
  377   2HD1  ILE 698          2HD1      ILE 698  -1.750  -1.437  -6.124
  378   3HD1  ILE 698          3HD1      ILE 698  -1.042  -0.649  -4.712
  379    H    CYS 699           H        CYS 699  -5.856  -1.466  -2.003
  380    HA   CYS 699           HA       CYS 699  -4.855  -3.940  -1.027
  381   1HB   CYS 699          2HB       CYS 699  -5.175  -1.592   0.149
  382   2HB   CYS 699          1HB       CYS 699  -6.728  -2.285   0.606
  383    H    GLY 700           H        GLY 700  -5.803  -5.838  -1.045
  384   1HA   GLY 700          2HA       GLY 700  -7.838  -7.017  -0.153
  385   2HA   GLY 700          1HA       GLY 700  -8.751  -5.940  -1.200
  386    H    GLN 701           H        GLN 701  -5.779  -6.973  -2.524
  387    HA   GLN 701           HA       GLN 701  -5.257  -8.322  -4.277
  388   1HB   GLN 701          2HB       GLN 701  -6.295  -9.945  -2.375
  389   2HB   GLN 701          1HB       GLN 701  -7.400 -10.277  -3.703
  390   1HG   GLN 701          2HG       GLN 701  -5.536 -11.852  -3.638
  391   2HG   GLN 701          1HG       GLN 701  -5.553 -10.911  -5.128
  392   1HE2  GLN 701          1HE2      GLN 701  -3.441 -10.968  -5.644
  393   2HE2  GLN 701          2HE2      GLN 701  -2.176 -10.316  -4.664
  394    H    THR 702           H        THR 702  -6.151  -9.392  -6.286
  395    HA   THR 702           HA       THR 702  -8.679  -8.133  -7.114
  396    HB   THR 702           HB       THR 702  -6.894  -6.828  -8.083
  397    HG1  THR 702           1HG      THR 702  -7.358  -7.194 -10.300
  398   1HG2  THR 702          1HG2      THR 702  -4.939  -7.652  -8.683
  399   2HG2  THR 702          2HG2      THR 702  -5.714  -8.667  -9.900
  400   3HG2  THR 702          3HG2      THR 702  -5.500  -9.268  -8.256
  401    H    LEU 703           H        LEU 703  -8.124 -10.838  -6.176
  402    HA   LEU 703           HA       LEU 703  -8.558 -12.401  -8.627
  403   1HB   LEU 703          2HB       LEU 703  -7.826 -13.337  -5.851
  404   2HB   LEU 703          1HB       LEU 703  -8.013 -14.367  -7.257
  405    HG   LEU 703           HG       LEU 703  -6.053 -12.162  -7.508
  406   1HD1  LEU 703          1HD1      LEU 703  -5.940 -13.455  -5.157
  407   2HD1  LEU 703          2HD1      LEU 703  -4.515 -12.882  -6.024
  408   3HD1  LEU 703          3HD1      LEU 703  -5.013 -14.569  -6.161
  409   1HD2  LEU 703          1HD2      LEU 703  -5.476 -15.001  -8.132
  410   2HD2  LEU 703          2HD2      LEU 703  -5.084 -13.536  -9.034
  411   3HD2  LEU 703          3HD2      LEU 703  -6.720 -14.195  -9.090
  412    H    GLN 704           H        GLN 704 -10.265 -13.914  -8.731
  413    HA   GLN 704           HA       GLN 704 -12.486 -13.317  -6.889
  414   1HB   GLN 704          2HB       GLN 704 -12.486 -12.910  -9.559
  415   2HB   GLN 704          1HB       GLN 704 -13.073 -14.566  -9.508
  416   1HG   GLN 704          2HG       GLN 704 -14.910 -13.922  -8.093
  417   2HG   GLN 704          1HG       GLN 704 -14.290 -12.275  -7.984
  418   1HE2  GLN 704          1HE2      GLN 704 -13.682 -11.590 -10.470
  419   2HE2  GLN 704          2HE2      GLN 704 -15.063 -11.657 -11.504
  420    H    ALA 705           H        ALA 705 -13.419 -14.941  -5.790
  421    HA   ALA 705           HA       ALA 705 -13.784 -17.013  -4.924
  422   1HB   ALA 705          1HB       ALA 705 -13.571 -17.486  -7.833
  423   2HB   ALA 705          2HB       ALA 705 -14.871 -17.882  -6.709
  424   3HB   ALA 705          3HB       ALA 705 -13.435 -18.903  -6.791
  425    H    GLN 706           H        GLN 706 -12.703 -19.348  -4.841
  426    HA   GLN 706           HA       GLN 706  -9.806 -18.895  -4.559
  427   1HB   GLN 706          2HB       GLN 706 -11.764 -19.822  -2.684
  428   2HB   GLN 706          1HB       GLN 706 -10.606 -21.111  -2.977
  429   1HG   GLN 706          2HG       GLN 706  -9.531 -18.397  -2.481
  430   2HG   GLN 706          1HG       GLN 706 -10.244 -19.257  -1.119
  431   1HE2  GLN 706          1HE2      GLN 706  -7.418 -18.581  -2.444
  432   2HE2  GLN 706          2HE2      GLN 706  -6.522 -20.009  -2.069
  433    H    GLN 707           H        GLN 707  -8.741 -19.877  -6.145
  434    HA   GLN 707           HA       GLN 707  -9.799 -22.334  -7.312
  435   1HB   GLN 707          2HB       GLN 707  -9.015 -20.439  -8.755
  436   2HB   GLN 707          1HB       GLN 707  -7.384 -20.732  -8.166
  437   1HG   GLN 707          2HG       GLN 707  -8.189 -23.215  -9.025
  438   2HG   GLN 707          1HG       GLN 707  -8.915 -22.125 -10.204
  439   1HE2  GLN 707          1HE2      GLN 707  -7.626 -22.527 -11.914
  440   2HE2  GLN 707          2HE2      GLN 707  -5.926 -22.217 -11.949
  Start of MODEL   13
    1    H    THR1101           H        THR1101  -7.569  12.818   6.463
    2    HA   THR1101           HA       THR1101  -8.025  10.924   7.985
    3    HB   THR1101           HB       THR1101  -9.255  13.059   7.943
    4    HG1  THR1101           1HG      THR1101 -10.860  10.750   8.291
    5   1HG2  THR1101          1HG2      THR1101 -11.665  12.403   6.716
    6   2HG2  THR1101          2HG2      THR1101 -10.413  11.977   5.549
    7   3HG2  THR1101          3HG2      THR1101 -10.493  13.614   6.199
    8    H    ILE1102           H        ILE1102  -7.481   9.343   5.818
    9    HA   ILE1102           HA       ILE1102  -9.842   8.051   4.824
   10    HB   ILE1102           HB       ILE1102  -7.025   6.973   4.758
   11   1HG1  ILE1102          2HG1      ILE1102  -8.292   8.563   2.541
   12   2HG1  ILE1102          1HG1      ILE1102  -7.406   9.368   3.832
   13   1HG2  ILE1102          1HG2      ILE1102  -7.949   5.977   2.590
   14   2HG2  ILE1102          2HG2      ILE1102  -9.539   6.388   3.232
   15   3HG2  ILE1102          3HG2      ILE1102  -8.493   5.275   4.113
   16   1HD1  ILE1102          1HD1      ILE1102  -6.338   8.417   1.504
   17   2HD1  ILE1102          2HD1      ILE1102  -5.945   7.144   2.659
   18   3HD1  ILE1102          3HD1      ILE1102  -5.436   8.803   2.969
   19    H    SER1103           H        SER1103 -10.290   5.745   5.150
   20    HA   SER1103           HA       SER1103 -10.669   5.091   7.828
   21   1HB   SER1103          2HB       SER1103 -11.637   4.103   5.521
   22   2HB   SER1103          1HB       SER1103 -10.467   2.839   5.902
   23    HG   SER1103           HG       SER1103 -12.453   3.788   7.695
   24    H    ASN1104           H        ASN1104  -9.758   3.394   9.119
   25    HA   ASN1104           HA       ASN1104  -6.911   3.392   9.079
   26   1HB   ASN1104          2HB       ASN1104  -9.025   2.537  10.885
   27   2HB   ASN1104          1HB       ASN1104  -7.682   1.399  10.858
   28   1HD2  ASN1104          1HD2      ASN1104  -8.691   3.408  12.856
   29   2HD2  ASN1104          2HD2      ASN1104  -7.290   4.323  13.286
   30    HA   PRO1105           HA       PRO1105  -6.533  -0.218   6.464
   31   1HB   PRO1105          2HB       PRO1105  -3.689  -0.220   6.929
   32   2HB   PRO1105          1HB       PRO1105  -4.563   0.296   5.487
   33   1HG   PRO1105          2HG       PRO1105  -3.179   1.986   7.153
   34   2HG   PRO1105          1HG       PRO1105  -4.503   2.489   6.093
   35   1HD   PRO1105          2HD       PRO1105  -4.523   1.943   9.029
   36   2HD   PRO1105          1HD       PRO1105  -5.394   3.181   8.099
   37    HA   PRO1106           HA       PRO1106  -5.899  -3.726   9.071
   38   1HB   PRO1106          2HB       PRO1106  -4.484  -5.472   7.574
   39   2HB   PRO1106          1HB       PRO1106  -6.161  -5.052   7.204
   40   1HG   PRO1106          2HG       PRO1106  -3.635  -4.025   5.970
   41   2HG   PRO1106          1HG       PRO1106  -5.151  -4.502   5.184
   42   1HD   PRO1106          2HD       PRO1106  -4.483  -1.911   5.682
   43   2HD   PRO1106          1HD       PRO1106  -6.160  -2.488   5.631
   44    HA   PRO1107           HA       PRO1107  -2.037  -3.713  11.207
   45   1HB   PRO1107          2HB       PRO1107  -1.675  -6.299  11.938
   46   2HB   PRO1107          1HB       PRO1107  -2.903  -5.260  12.670
   47   1HG   PRO1107          2HG       PRO1107  -3.203  -7.318  10.518
   48   2HG   PRO1107          1HG       PRO1107  -4.244  -7.004  11.919
   49   1HD   PRO1107          2HD       PRO1107  -4.839  -6.118   9.429
   50   2HD   PRO1107          1HD       PRO1107  -5.300  -5.231  10.896
   51    H    LEU1108           H        LEU1108   0.186  -4.183  11.079
   52    HA   LEU1108           HA       LEU1108   1.021  -5.194   8.465
   53   1HB   LEU1108          2HB       LEU1108   2.237  -3.404  10.522
   54   2HB   LEU1108          1HB       LEU1108   3.299  -4.266   9.425
   55    HG   LEU1108           HG       LEU1108   1.106  -2.364   8.596
   56   1HD1  LEU1108          1HD1      LEU1108   3.943  -1.801   8.019
   57   2HD1  LEU1108          2HD1      LEU1108   3.442  -1.640   9.703
   58   3HD1  LEU1108          3HD1      LEU1108   2.629  -0.706   8.448
   59   1HD2  LEU1108          1HD2      LEU1108   1.227  -3.586   6.709
   60   2HD2  LEU1108          2HD2      LEU1108   2.793  -4.279   7.131
   61   3HD2  LEU1108          3HD2      LEU1108   2.704  -2.659   6.440
   62    H    ILE1109           H        ILE1109   2.534  -6.826   8.201
   63    HA   ILE1109           HA       ILE1109   3.057  -8.454  10.603
   64    HB   ILE1109           HB       ILE1109   3.397 -10.284   8.700
   65   1HG1  ILE1109          2HG1      ILE1109   1.193  -8.587   7.529
   66   2HG1  ILE1109          1HG1      ILE1109   2.845  -8.565   6.928
   67   1HG2  ILE1109          1HG2      ILE1109   1.704 -10.027  10.684
   68   2HG2  ILE1109          2HG2      ILE1109   1.421 -11.217   9.413
   69   3HG2  ILE1109          3HG2      ILE1109   0.560  -9.676   9.388
   70   1HD1  ILE1109          1HD1      ILE1109   1.543 -11.203   7.157
   71   2HD1  ILE1109          2HD1      ILE1109   2.661 -10.587   5.940
   72   3HD1  ILE1109          3HD1      ILE1109   0.961 -10.118   5.896
   73    H    SER1110           H        SER1110   5.117  -8.627  11.183
   74    HA   SER1110           HA       SER1110   7.196  -7.689   9.389
   75   1HB   SER1110          2HB       SER1110   8.633  -8.286  11.499
   76   2HB   SER1110          1HB       SER1110   7.578  -6.873  11.531
   77    HG   SER1110           HG       SER1110   6.738  -9.417  12.439
   78    H    SER1111           H        SER1111   8.591  -8.927   8.300
   79    HA   SER1111           HA       SER1111   8.704 -11.800   8.941
   80   1HB   SER1111          2HB       SER1111   8.940 -12.204   6.463
   81   2HB   SER1111          1HB       SER1111   7.350 -11.627   6.965
   82    HG   SER1111           HG       SER1111   7.719 -10.217   5.430
   83    H    ALA1112           H        ALA1112  10.687 -12.356   9.518
   84    HA   ALA1112           HA       ALA1112  12.972 -11.608   7.951
   85   1HB   ALA1112          1HB       ALA1112  12.387 -10.222  10.491
   86   2HB   ALA1112          2HB       ALA1112  13.312  -9.685   9.088
   87   3HB   ALA1112          3HB       ALA1112  14.047 -10.773  10.264
   88    H    LYS1113           H        LYS1113  12.948 -13.930   7.798
   89    HA   LYS1113           HA       LYS1113  13.457 -15.479  10.188
   90   1HB   LYS1113          2HB       LYS1113  13.337 -16.225   7.264
   91   2HB   LYS1113          1HB       LYS1113  13.664 -17.380   8.548
   92   1HG   LYS1113          2HG       LYS1113  11.432 -16.471   9.547
   93   2HG   LYS1113          1HG       LYS1113  11.137 -15.946   7.888
   94   1HD   LYS1113          2HD       LYS1113  11.655 -18.314   7.177
   95   2HD   LYS1113          1HD       LYS1113  11.614 -18.746   8.887
   96   1HE   LYS1113          2HE       LYS1113   9.291 -17.507   8.797
   97   2HE   LYS1113          1HE       LYS1113   9.399 -17.901   7.082
   98   1HZ   LYS1113          1HZ       LYS1113   9.267 -20.133   7.491
   99   2HZ   LYS1113          2HZ       LYS1113   8.300 -19.548   8.750
  100   3HZ   LYS1113          3HZ       LYS1113   9.897 -20.015   9.057
  101    H    ASP 658           H        ASP 658   8.296 -14.392  -2.789
  102    HA   ASP 658           HA       ASP 658   5.572 -13.757  -2.967
  103   1HB   ASP 658          2HB       ASP 658   5.650 -13.896  -0.433
  104   2HB   ASP 658          1HB       ASP 658   6.240 -15.312  -1.298
  105    H    SER 659           H        SER 659   8.345 -11.850  -2.028
  106    HA   SER 659           HA       SER 659   6.882  -9.416  -2.308
  107   1HB   SER 659          2HB       SER 659   7.560  -8.717   0.134
  108   2HB   SER 659          1HB       SER 659   6.063  -9.606  -0.146
  109    HG   SER 659           HG       SER 659   8.506 -10.897   0.460
  110    H    SER 660           H        SER 660   8.305  -7.496  -1.690
  111    HA   SER 660           HA       SER 660  11.115  -8.168  -2.272
  112   1HB   SER 660          2HB       SER 660   9.639  -5.634  -3.026
  113   2HB   SER 660          1HB       SER 660  11.296  -6.050  -3.462
  114    HG   SER 660           HG       SER 660  10.330  -7.931  -4.536
  115    H    GLU 661           H        GLU 661  12.736  -6.756  -1.371
  116    HA   GLU 661           HA       GLU 661  11.979  -5.829   1.289
  117   1HB   GLU 661          2HB       GLU 661  14.597  -6.482  -0.034
  118   2HB   GLU 661          1HB       GLU 661  14.553  -5.565   1.466
  119   1HG   GLU 661          2HG       GLU 661  12.882  -7.805   1.826
  120   2HG   GLU 661          1HG       GLU 661  14.365  -8.381   1.066
  121    H    SER 662           H        SER 662  10.837  -3.956   0.365
  122    HA   SER 662           HA       SER 662  12.477  -1.629   0.479
  123   1HB   SER 662          2HB       SER 662  11.406  -0.951  -1.909
  124   2HB   SER 662          1HB       SER 662  13.019  -1.640  -1.728
  125    HG   SER 662           HG       SER 662  11.755  -2.739  -3.303
  126    H    CYS 663           H        CYS 663  11.322  -0.000   1.303
  127    HA   CYS 663           HA       CYS 663   8.597  -0.355   1.979
  128   1HB   CYS 663          2HB       CYS 663  10.417   1.038   3.164
  129   2HB   CYS 663          1HB       CYS 663  10.022   2.290   1.996
  130    H    TRP 664           H        TRP 664   6.815   0.087   0.856
  131    HA   TRP 664           HA       TRP 664   6.883   0.992  -1.804
  132   1HB   TRP 664          2HB       TRP 664   4.621   0.678   0.166
  133   2HB   TRP 664          1HB       TRP 664   4.360   1.198  -1.495
  134    HD1  TRP 664           HD       TRP 664   6.898  -1.541  -0.620
  135    HE1  TRP 664           1HE      TRP 664   6.091  -3.763  -1.644
  136    HE3  TRP 664           3HE      TRP 664   2.287  -0.056  -2.289
  137    HZ2  TRP 664           2HZ      TRP 664   3.815  -4.752  -2.976
  138    HZ3  TRP 664           3HZ      TRP 664   0.863  -1.707  -3.426
  139    HH2  TRP 664           HH       TRP 664   1.611  -4.003  -3.762
  140    H    ASN 665           H        ASN 665   6.818   2.720   1.161
  141    HA   ASN 665           HA       ASN 665   5.932   5.185  -0.165
  142   1HB   ASN 665          2HB       ASN 665   4.686   4.952   1.786
  143   2HB   ASN 665          1HB       ASN 665   6.035   4.275   2.690
  144   1HD2  ASN 665          1HD2      ASN 665   6.516   5.578   4.292
  145   2HD2  ASN 665          2HD2      ASN 665   6.640   7.298   4.207
  146    H    CYS 666           H        CYS 666   8.373   4.302   2.293
  147    HA   CYS 666           HA       CYS 666   9.937   6.574   2.052
  148   1HB   CYS 666          2HB       CYS 666  10.643   3.767   2.884
  149   2HB   CYS 666          1HB       CYS 666  11.814   5.078   2.929
  150    H    GLY 667           H        GLY 667  10.700   3.384   0.585
  151   1HA   GLY 667          2HA       GLY 667  11.352   3.150  -1.696
  152   2HA   GLY 667          1HA       GLY 667  11.850   4.836  -1.693
  153    H    ARG 668           H        ARG 668  12.728   2.823   0.982
  154    HA   ARG 668           HA       ARG 668  15.461   2.590  -0.088
  155   1HB   ARG 668          2HB       ARG 668  14.681   3.267   2.753
  156   2HB   ARG 668          1HB       ARG 668  16.323   3.013   2.179
  157   1HG   ARG 668          2HG       ARG 668  14.752   5.051   0.742
  158   2HG   ARG 668          1HG       ARG 668  15.183   5.427   2.411
  159   1HD   ARG 668          2HD       ARG 668  17.553   4.568   1.608
  160   2HD   ARG 668          1HD       ARG 668  16.926   5.044   0.031
  161    HE   ARG 668           HE       ARG 668  16.427   7.194   1.629
  162   1HH1  ARG 668          1HH1      ARG 668  19.283   5.362   0.815
  163   2HH1  ARG 668          2HH1      ARG 668  20.353   6.710   0.999
  164   1HH2  ARG 668          1HH2      ARG 668  17.832   8.969   1.871
  165   2HH2  ARG 668          2HH2      ARG 668  19.530   8.758   1.598
  166    H    LYS 669           H        LYS 669  13.440   1.443   2.625
  167    HA   LYS 669           HA       LYS 669  13.731  -1.287   1.868
  168   1HB   LYS 669          2HB       LYS 669  15.174  -2.108   3.528
  169   2HB   LYS 669          1HB       LYS 669  15.987  -0.682   2.901
  170   1HG   LYS 669          2HG       LYS 669  16.266  -0.284   5.107
  171   2HG   LYS 669          1HG       LYS 669  14.676   0.461   4.915
  172   1HD   LYS 669          2HD       LYS 669  13.765  -1.892   5.479
  173   2HD   LYS 669          1HD       LYS 669  15.387  -2.199   6.100
  174   1HE   LYS 669          2HE       LYS 669  13.651  -1.383   7.771
  175   2HE   LYS 669          1HE       LYS 669  15.194  -0.532   7.743
  176   1HZ   LYS 669          1HZ       LYS 669  12.858   0.430   6.205
  177   2HZ   LYS 669          2HZ       LYS 669  14.247   1.287   6.652
  178   3HZ   LYS 669          3HZ       LYS 669  13.101   0.867   7.822
  179    H    ALA 670           H        ALA 670  12.510  -2.720   3.178
  180    HA   ALA 670           HA       ALA 670  10.911  -1.541   5.318
  181   1HB   ALA 670          1HB       ALA 670   9.878  -2.366   2.676
  182   2HB   ALA 670          2HB       ALA 670   9.281  -1.145   3.800
  183   3HB   ALA 670          3HB       ALA 670   8.930  -2.851   4.082
  184    H    SER 671           H        SER 671  10.162  -3.008   6.832
  185    HA   SER 671           HA       SER 671  11.027  -5.799   6.444
  186   1HB   SER 671          2HB       SER 671  11.417  -3.924   8.715
  187   2HB   SER 671          1HB       SER 671  11.072  -5.606   9.119
  188    HG   SER 671           HG       SER 671  13.083  -4.840   7.278
  189    H    GLU 672           H        GLU 672   8.352  -3.858   6.785
  190    HA   GLU 672           HA       GLU 672   6.818  -5.981   8.131
  191   1HB   GLU 672          2HB       GLU 672   5.717  -3.232   7.658
  192   2HB   GLU 672          1HB       GLU 672   5.287  -4.400   8.895
  193   1HG   GLU 672          2HG       GLU 672   8.028  -3.246   8.927
  194   2HG   GLU 672          1HG       GLU 672   6.677  -2.249   9.466
  195    H    THR 673           H        THR 673   4.698  -6.471   7.286
  196    HA   THR 673           HA       THR 673   4.377  -5.850   4.432
  197    HB   THR 673           HB       THR 673   4.172  -8.586   5.710
  198    HG1  THR 673           1HG      THR 673   6.256  -8.257   5.254
  199   1HG2  THR 673          1HG2      THR 673   2.719  -7.705   3.520
  200   2HG2  THR 673          2HG2      THR 673   3.054  -9.377   3.968
  201   3HG2  THR 673          3HG2      THR 673   4.106  -8.543   2.824
  202    H    CYS 674           H        CYS 674   2.322  -5.551   3.722
  203    HA   CYS 674           HA       CYS 674   0.306  -4.987   5.641
  204   1HB   CYS 674          2HB       CYS 674   0.423  -3.745   3.557
  205   2HB   CYS 674          1HB       CYS 674   0.186  -5.217   2.626
  206    H    SER 675           H        SER 675  -0.622  -6.585   6.762
  207    HA   SER 675           HA       SER 675  -0.896  -9.242   5.830
  208   1HB   SER 675          2HB       SER 675  -1.994  -9.697   7.897
  209   2HB   SER 675          1HB       SER 675  -0.753  -8.492   8.244
  210    HG   SER 675           HG       SER 675  -2.253  -7.094   8.739
  211    H    GLY 676           H        GLY 676  -2.708  -6.505   5.077
  212   1HA   GLY 676          2HA       GLY 676  -5.289  -7.758   4.898
  213   2HA   GLY 676          1HA       GLY 676  -4.842  -6.192   4.237
  214    H    CYS 677           H        CYS 677  -2.850  -6.777   2.495
  215    HA   CYS 677           HA       CYS 677  -4.205  -8.522   0.554
  216   1HB   CYS 677          2HB       CYS 677  -3.019  -7.198  -1.184
  217   2HB   CYS 677          1HB       CYS 677  -4.117  -6.229  -0.208
  218    H    ASN 678           H        ASN 678  -1.459  -8.249   2.505
  219    HA   ASN 678           HA       ASN 678   0.457  -9.450   2.702
  220   1HB   ASN 678          2HB       ASN 678  -1.399 -11.246   1.277
  221   2HB   ASN 678          1HB       ASN 678   0.305 -11.662   1.120
  222   1HD2  ASN 678          1HD2      ASN 678   1.524 -11.998   3.065
  223   2HD2  ASN 678          2HD2      ASN 678   0.729 -12.563   4.491
  224    H    THR 679           H        THR 679   0.055  -7.488   0.453
  225    HA   THR 679           HA       THR 679   2.253  -8.439  -1.261
  226    HB   THR 679           HB       THR 679  -0.071  -6.663  -2.012
  227    HG1  THR 679           1HG      THR 679  -0.947  -8.468  -2.558
  228   1HG2  THR 679          1HG2      THR 679   1.118  -5.907  -3.710
  229   2HG2  THR 679          2HG2      THR 679   1.247  -7.560  -4.310
  230   3HG2  THR 679          3HG2      THR 679   2.495  -6.907  -3.248
  231    H    ALA 680           H        ALA 680   0.806  -5.679   0.360
  232    HA   ALA 680           HA       ALA 680   2.797  -3.807  -0.455
  233   1HB   ALA 680          1HB       ALA 680   1.570  -2.910   1.924
  234   2HB   ALA 680          2HB       ALA 680   0.338  -3.748   0.981
  235   3HB   ALA 680          3HB       ALA 680   1.238  -2.410   0.266
  236    H    ARG 681           H        ARG 681   4.352  -2.773   0.876
  237    HA   ARG 681           HA       ARG 681   5.182  -4.224   3.282
  238   1HB   ARG 681          2HB       ARG 681   6.967  -3.558   0.935
  239   2HB   ARG 681          1HB       ARG 681   7.557  -4.088   2.504
  240   1HG   ARG 681          2HG       ARG 681   5.538  -5.803   1.194
  241   2HG   ARG 681          1HG       ARG 681   7.145  -5.753   0.466
  242   1HD   ARG 681          2HD       ARG 681   6.933  -6.108   3.411
  243   2HD   ARG 681          1HD       ARG 681   6.539  -7.478   2.373
  244    HE   ARG 681           HE       ARG 681   9.044  -6.219   1.735
  245   1HH1  ARG 681          1HH1      ARG 681   7.468  -8.617   3.722
  246   2HH1  ARG 681          2HH1      ARG 681   8.914  -9.534   3.981
  247   1HH2  ARG 681          1HH2      ARG 681  10.946  -7.421   2.076
  248   2HH2  ARG 681          2HH2      ARG 681  10.890  -8.854   3.048
  249    H    TYR 682           H        TYR 682   6.130  -2.946   4.850
  250    HA   TYR 682           HA       TYR 682   6.882  -0.214   4.238
  251   1HB   TYR 682          2HB       TYR 682   4.561  -0.876   6.056
  252   2HB   TYR 682          1HB       TYR 682   5.372   0.687   6.042
  253    HD1  TYR 682           1HD      TYR 682   2.898  -1.397   4.468
  254    HD2  TYR 682           2HD      TYR 682   5.324   2.054   3.919
  255    HE1  TYR 682           1HE      TYR 682   1.428  -0.662   2.639
  256    HE2  TYR 682           2HE      TYR 682   3.860   2.799   2.089
  257    HH   TYR 682           HH       TYR 682   2.260   1.688   0.443
  258    H    CYS 683           H        CYS 683   8.167   0.745   5.853
  259    HA   CYS 683           HA       CYS 683   9.352  -1.196   7.669
  260   1HB   CYS 683          2HB       CYS 683  11.203   0.326   7.872
  261   2HB   CYS 683          1HB       CYS 683  10.798   0.169   6.169
  262    H    GLY 684           H        GLY 684   7.179   1.479   7.776
  263   1HA   GLY 684          2HA       GLY 684   7.102   1.225  10.684
  264   2HA   GLY 684          1HA       GLY 684   7.455   2.821  10.041
  265    H    SER 685           H        SER 685   5.188   1.882  11.647
  266    HA   SER 685           HA       SER 685   2.836   1.484  10.294
  267   1HB   SER 685          2HB       SER 685   1.695   2.483  12.208
  268   2HB   SER 685          1HB       SER 685   3.047   1.493  12.758
  269    HG   SER 685           HG       SER 685   2.596   4.083  13.204
  270    H    PHE 686           H        PHE 686   4.628   4.485  10.660
  271    HA   PHE 686           HA       PHE 686   2.561   6.174   9.672
  272   1HB   PHE 686          2HB       PHE 686   4.284   7.892   9.512
  273   2HB   PHE 686          1HB       PHE 686   4.417   7.036  11.043
  274    HD1  PHE 686           1HD      PHE 686   6.233   5.364  11.361
  275    HD2  PHE 686           2HD      PHE 686   6.052   7.908   7.953
  276    HE1  PHE 686           1HE      PHE 686   8.606   4.911  10.902
  277    HE2  PHE 686           2HE      PHE 686   8.426   7.457   7.487
  278    HZ   PHE 686           HZ       PHE 686   9.706   5.958   8.962
  279    H    CYS 687           H        CYS 687   5.185   4.367   8.192
  280    HA   CYS 687           HA       CYS 687   5.104   5.576   5.655
  281   1HB   CYS 687          2HB       CYS 687   5.874   2.740   6.358
  282   2HB   CYS 687          1HB       CYS 687   6.287   3.582   4.869
  283    H    GLN 688           H        GLN 688   3.337   2.819   6.986
  284    HA   GLN 688           HA       GLN 688   2.115   2.041   4.571
  285   1HB   GLN 688          2HB       GLN 688   0.649   0.693   5.882
  286   2HB   GLN 688          1HB       GLN 688   2.245   0.629   6.612
  287   1HG   GLN 688          2HG       GLN 688   1.449   1.334   8.548
  288   2HG   GLN 688          1HG       GLN 688   0.715   2.746   7.793
  289   1HE2  GLN 688          1HE2      GLN 688  -0.014  -0.625   7.123
  290   2HE2  GLN 688          2HE2      GLN 688  -1.647  -0.568   7.670
  291    H    HIS 689           H        HIS 689   1.192   4.383   7.035
  292    HA   HIS 689           HA       HIS 689  -1.402   4.898   5.998
  293   1HB   HIS 689          2HB       HIS 689   0.387   6.158   8.011
  294   2HB   HIS 689          1HB       HIS 689  -0.913   7.146   7.352
  295    HD1  HIS 689           1HD      HIS 689  -1.556   6.908  10.052
  296    HD2  HIS 689           2HD      HIS 689  -2.206   3.637   7.575
  297    HE1  HIS 689           1HE      HIS 689  -3.203   5.456  11.279
  298    HE2  HIS 689           2HE      HIS 689  -3.492   3.428   9.812
  299    H    LYS 690           H        LYS 690   1.770   6.324   5.468
  300    HA   LYS 690           HA       LYS 690   1.029   8.629   4.094
  301   1HB   LYS 690          2HB       LYS 690   3.369   7.719   4.874
  302   2HB   LYS 690          1HB       LYS 690   3.439   7.072   3.243
  303   1HG   LYS 690          2HG       LYS 690   3.185   9.958   4.050
  304   2HG   LYS 690          1HG       LYS 690   4.560   9.175   3.271
  305   1HD   LYS 690          2HD       LYS 690   1.820   9.572   2.072
  306   2HD   LYS 690          1HD       LYS 690   3.275  10.478   1.662
  307   1HE   LYS 690          2HE       LYS 690   3.813   7.678   1.423
  308   2HE   LYS 690          1HE       LYS 690   2.341   8.063   0.532
  309   1HZ   LYS 690          1HZ       LYS 690   3.462   9.290  -0.965
  310   2HZ   LYS 690          2HZ       LYS 690   4.778   8.345  -0.478
  311   3HZ   LYS 690          3HZ       LYS 690   4.567   9.895   0.166
  312    H    ASP 691           H        ASP 691   1.865   5.438   2.768
  313    HA   ASP 691           HA       ASP 691   0.972   6.226   0.127
  314   1HB   ASP 691          2HB       ASP 691   2.373   3.877   1.298
  315   2HB   ASP 691          1HB       ASP 691   1.446   3.610  -0.176
  316    H    TRP 692           H        TRP 692  -0.488   5.005   2.906
  317    HA   TRP 692           HA       TRP 692  -2.259   3.092   2.151
  318   1HB   TRP 692          2HB       TRP 692  -2.127   3.975   4.431
  319   2HB   TRP 692          1HB       TRP 692  -2.876   5.478   3.903
  320    HD1  TRP 692           HD       TRP 692  -5.163   5.428   5.095
  321    HE1  TRP 692           1HE      TRP 692  -7.152   3.789   5.157
  322    HE3  TRP 692           3HE      TRP 692  -3.074   1.501   2.568
  323    HZ2  TRP 692           2HZ      TRP 692  -7.754   1.191   4.253
  324    HZ3  TRP 692           3HZ      TRP 692  -4.424  -0.520   2.208
  325    HH2  TRP 692           HH       TRP 692  -6.716  -0.672   3.034
  326    H    GLU 693           H        GLU 693  -2.675   6.591   1.614
  327    HA   GLU 693           HA       GLU 693  -5.228   6.581   0.587
  328   1HB   GLU 693          2HB       GLU 693  -4.836   8.748   0.228
  329   2HB   GLU 693          1HB       GLU 693  -3.234   8.456   0.887
  330   1HG   GLU 693          2HG       GLU 693  -2.422   8.031  -1.416
  331   2HG   GLU 693          1HG       GLU 693  -4.020   8.466  -2.019
  332    H    LYS 694           H        LYS 694  -2.194   5.933  -1.135
  333    HA   LYS 694           HA       LYS 694  -3.620   5.499  -3.616
  334   1HB   LYS 694          2HB       LYS 694  -1.376   5.042  -4.552
  335   2HB   LYS 694          1HB       LYS 694  -1.480   6.602  -3.750
  336   1HG   LYS 694          2HG       LYS 694  -0.336   5.724  -1.812
  337   2HG   LYS 694          1HG       LYS 694  -0.308   4.112  -2.530
  338   1HD   LYS 694          2HD       LYS 694   1.734   4.716  -3.251
  339   2HD   LYS 694          1HD       LYS 694   0.842   5.588  -4.499
  340   1HE   LYS 694          2HE       LYS 694   0.814   7.396  -2.477
  341   2HE   LYS 694          1HE       LYS 694   2.364   6.603  -2.198
  342   1HZ   LYS 694          1HZ       LYS 694   2.070   8.633  -3.859
  343   2HZ   LYS 694          2HZ       LYS 694   1.766   7.369  -4.943
  344   3HZ   LYS 694          3HZ       LYS 694   3.231   7.425  -4.097
  345    H    HIS 695           H        HIS 695  -1.751   3.571  -1.288
  346    HA   HIS 695           HA       HIS 695  -1.876   1.142  -2.656
  347   1HB   HIS 695          2HB       HIS 695  -0.342   1.504  -0.807
  348   2HB   HIS 695          1HB       HIS 695  -1.691   1.650   0.316
  349    HD1  HIS 695           1HD      HIS 695  -0.614  -1.018  -2.208
  350    HD2  HIS 695           2HD      HIS 695  -1.987  -0.614   1.691
  351    HE1  HIS 695           1HE      HIS 695  -0.779  -3.359  -1.271
  352    H    HIS 696           H        HIS 696  -4.137   2.502  -0.266
  353    HA   HIS 696           HA       HIS 696  -5.684   0.255   0.126
  354   1HB   HIS 696          2HB       HIS 696  -7.391   1.642   1.007
  355   2HB   HIS 696          1HB       HIS 696  -5.851   2.371   1.431
  356    HD1  HIS 696           1HD      HIS 696  -8.265   2.795  -1.506
  357    HD2  HIS 696           2HD      HIS 696  -6.050   5.015   1.213
  358    HE1  HIS 696           1HE      HIS 696  -8.774   5.204  -2.022
  359    HE2  HIS 696           2HE      HIS 696  -7.490   6.523  -0.311
  360    H    HIS 697           H        HIS 697  -5.651   2.345  -2.693
  361    HA   HIS 697           HA       HIS 697  -8.180   1.632  -3.732
  362   1HB   HIS 697          2HB       HIS 697  -5.665   2.206  -5.317
  363   2HB   HIS 697          1HB       HIS 697  -7.320   2.330  -5.891
  364    HD1  HIS 697           1HD      HIS 697  -8.703   4.138  -4.048
  365    HD2  HIS 697           2HD      HIS 697  -4.697   4.675  -5.002
  366    HE1  HIS 697           1HE      HIS 697  -8.223   6.567  -3.600
  367    HE2  HIS 697           2HE      HIS 697  -5.771   6.847  -4.101
  368    H    ILE 698           H        ILE 698  -5.074   0.035  -3.624
  369    HA   ILE 698           HA       ILE 698  -5.925  -2.059  -5.459
  370    HB   ILE 698           HB       ILE 698  -3.344  -2.158  -3.952
  371   1HG1  ILE 698          2HG1      ILE 698  -3.618  -0.613  -6.526
  372   2HG1  ILE 698          1HG1      ILE 698  -3.718   0.178  -4.958
  373   1HG2  ILE 698          1HG2      ILE 698  -2.600  -3.476  -5.700
  374   2HG2  ILE 698          2HG2      ILE 698  -3.787  -2.827  -6.831
  375   3HG2  ILE 698          3HG2      ILE 698  -4.295  -3.941  -5.561
  376   1HD1  ILE 698          1HD1      ILE 698  -1.483   0.316  -5.961
  377   2HD1  ILE 698          2HD1      ILE 698  -1.376  -1.443  -5.920
  378   3HD1  ILE 698          3HD1      ILE 698  -1.478  -0.532  -4.414
  379    H    CYS 699           H        CYS 699  -4.667  -1.867  -2.133
  380    HA   CYS 699           HA       CYS 699  -4.723  -4.380  -1.242
  381   1HB   CYS 699          2HB       CYS 699  -4.358  -2.170   0.040
  382   2HB   CYS 699          1HB       CYS 699  -6.075  -2.271   0.413
  383    H    GLY 700           H        GLY 700  -6.202  -5.712  -0.053
  384   1HA   GLY 700          2HA       GLY 700  -8.259  -6.644   0.441
  385   2HA   GLY 700          1HA       GLY 700  -9.037  -5.239  -0.270
  386    H    GLN 701           H        GLN 701  -6.683  -6.730  -2.251
  387    HA   GLN 701           HA       GLN 701  -6.790  -7.984  -4.142
  388   1HB   GLN 701          2HB       GLN 701  -8.364  -9.347  -2.314
  389   2HB   GLN 701          1HB       GLN 701  -9.408  -9.201  -3.720
  390   1HG   GLN 701          2HG       GLN 701  -8.170 -10.613  -4.958
  391   2HG   GLN 701          1HG       GLN 701  -6.648 -10.056  -4.266
  392   1HE2  GLN 701          1HE2      GLN 701  -7.861 -12.767  -4.742
  393   2HE2  GLN 701          2HE2      GLN 701  -7.716 -13.576  -3.223
  394    H    THR 702           H        THR 702 -10.265  -7.433  -3.590
  395    HA   THR 702           HA       THR 702 -10.399  -5.415  -5.636
  396    HB   THR 702           HB       THR 702 -12.103  -6.782  -6.970
  397    HG1  THR 702           1HG      THR 702 -11.921  -9.003  -6.793
  398   1HG2  THR 702          1HG2      THR 702  -9.629  -6.335  -7.588
  399   2HG2  THR 702          2HG2      THR 702 -10.542  -7.566  -8.461
  400   3HG2  THR 702          3HG2      THR 702  -9.411  -8.040  -7.193
  401    H    LEU 703           H        LEU 703 -12.942  -5.156  -6.179
  402    HA   LEU 703           HA       LEU 703 -14.245  -5.003  -3.546
  403   1HB   LEU 703          2HB       LEU 703 -14.289  -3.260  -5.964
  404   2HB   LEU 703          1HB       LEU 703 -15.722  -3.316  -4.955
  405    HG   LEU 703           HG       LEU 703 -13.812  -2.893  -3.073
  406   1HD1  LEU 703          1HD1      LEU 703 -12.325  -2.606  -5.299
  407   2HD1  LEU 703          2HD1      LEU 703 -12.012  -1.747  -3.791
  408   3HD1  LEU 703          3HD1      LEU 703 -12.900  -0.952  -5.090
  409   1HD2  LEU 703          1HD2      LEU 703 -15.993  -1.674  -3.615
  410   2HD2  LEU 703          2HD2      LEU 703 -15.004  -0.611  -4.616
  411   3HD2  LEU 703          3HD2      LEU 703 -14.693  -0.733  -2.885
  412    H    GLN 704           H        GLN 704 -16.685  -5.063  -3.649
  413    HA   GLN 704           HA       GLN 704 -17.514  -7.530  -4.738
  414   1HB   GLN 704          2HB       GLN 704 -18.892  -5.257  -3.367
  415   2HB   GLN 704          1HB       GLN 704 -19.865  -6.494  -4.152
  416   1HG   GLN 704          2HG       GLN 704 -17.792  -7.003  -2.029
  417   2HG   GLN 704          1HG       GLN 704 -19.532  -6.920  -1.760
  418   1HE2  GLN 704          1HE2      GLN 704 -17.695  -9.119  -1.281
  419   2HE2  GLN 704          2HE2      GLN 704 -18.278 -10.451  -2.215
  420    H    ALA 705           H        ALA 705 -19.704  -7.575  -6.017
  421    HA   ALA 705           HA       ALA 705 -19.525  -5.686  -8.270
  422   1HB   ALA 705          1HB       ALA 705 -19.907  -8.672  -8.448
  423   2HB   ALA 705          2HB       ALA 705 -18.500  -7.752  -8.981
  424   3HB   ALA 705          3HB       ALA 705 -20.047  -7.552  -9.803
  425    H    GLN 706           H        GLN 706 -21.289  -5.695  -5.949
  426    HA   GLN 706           HA       GLN 706 -23.874  -6.204  -7.268
  427   1HB   GLN 706          2HB       GLN 706 -23.040  -6.305  -4.384
  428   2HB   GLN 706          1HB       GLN 706 -24.726  -6.062  -4.821
  429   1HG   GLN 706          2HG       GLN 706 -24.879  -8.277  -4.831
  430   2HG   GLN 706          1HG       GLN 706 -24.012  -8.209  -6.365
  431   1HE2  GLN 706          1HE2      GLN 706 -23.814  -8.928  -2.986
  432   2HE2  GLN 706          2HE2      GLN 706 -22.257  -9.677  -3.022
  433    H    GLN 707           H        GLN 707 -25.433  -4.611  -7.290
  434    HA   GLN 707           HA       GLN 707 -26.273  -2.500  -7.361
  435   1HB   GLN 707          2HB       GLN 707 -24.513  -2.081  -4.938
  436   2HB   GLN 707          1HB       GLN 707 -25.824  -1.027  -5.445
  437   1HG   GLN 707          2HG       GLN 707 -27.214  -2.215  -4.209
  438   2HG   GLN 707          1HG       GLN 707 -26.920  -3.603  -5.256
  439   1HE2  GLN 707          1HE2      GLN 707 -25.027  -1.889  -2.787
  440   2HE2  GLN 707          2HE2      GLN 707 -24.639  -3.296  -1.863
  Start of MODEL   14
    1    H    THR1101           H        THR1101 -10.145  12.313   4.866
    2    HA   THR1101           HA       THR1101  -7.961  11.495   5.740
    3    HB   THR1101           HB       THR1101  -8.321  10.348   8.001
    4    HG1  THR1101           1HG      THR1101 -10.612  10.731   8.026
    5   1HG2  THR1101          1HG2      THR1101  -8.462  13.079   8.845
    6   2HG2  THR1101          2HG2      THR1101  -7.430  12.932   7.422
    7   3HG2  THR1101          3HG2      THR1101  -7.091  11.968   8.859
    8    H    ILE1102           H        ILE1102  -7.710   9.120   5.931
    9    HA   ILE1102           HA       ILE1102 -10.028   7.758   4.734
   10    HB   ILE1102           HB       ILE1102  -7.165   6.821   4.635
   11   1HG1  ILE1102          2HG1      ILE1102  -8.619   8.272   2.423
   12   2HG1  ILE1102          1HG1      ILE1102  -7.573   9.105   3.569
   13   1HG2  ILE1102          1HG2      ILE1102  -9.730   5.975   3.369
   14   2HG2  ILE1102          2HG2      ILE1102  -8.462   4.996   4.108
   15   3HG2  ILE1102          3HG2      ILE1102  -8.210   5.710   2.515
   16   1HD1  ILE1102          1HD1      ILE1102  -5.688   8.309   2.629
   17   2HD1  ILE1102          2HD1      ILE1102  -6.732   8.176   1.214
   18   3HD1  ILE1102          3HD1      ILE1102  -6.416   6.757   2.213
   19    H    SER1103           H        SER1103 -10.332   5.476   5.281
   20    HA   SER1103           HA       SER1103 -10.532   5.040   8.027
   21   1HB   SER1103          2HB       SER1103 -10.452   2.933   5.855
   22   2HB   SER1103          1HB       SER1103 -11.144   2.749   7.466
   23    HG   SER1103           HG       SER1103 -12.708   4.270   6.927
   24    H    ASN1104           H        ASN1104  -9.580   2.995   9.098
   25    HA   ASN1104           HA       ASN1104  -6.697   3.290   9.024
   26   1HB   ASN1104          2HB       ASN1104  -8.690   2.354  10.949
   27   2HB   ASN1104          1HB       ASN1104  -7.245   1.347  10.908
   28   1HD2  ASN1104          1HD2      ASN1104  -8.494   3.561  12.701
   29   2HD2  ASN1104          2HD2      ASN1104  -7.122   4.530  13.108
   30    HA   PRO1105           HA       PRO1105  -6.434  -0.273   6.279
   31   1HB   PRO1105          2HB       PRO1105  -3.709  -0.289   6.124
   32   2HB   PRO1105          1HB       PRO1105  -4.735   0.778   5.165
   33   1HG   PRO1105          2HG       PRO1105  -3.223   1.356   7.678
   34   2HG   PRO1105          1HG       PRO1105  -3.417   2.363   6.231
   35   1HD   PRO1105          2HD       PRO1105  -4.841   2.784   8.488
   36   2HD   PRO1105          1HD       PRO1105  -5.503   3.106   6.873
   37    HA   PRO1106           HA       PRO1106  -5.669  -3.758   8.864
   38   1HB   PRO1106          2HB       PRO1106  -3.913  -4.817   6.706
   39   2HB   PRO1106          1HB       PRO1106  -5.309  -5.565   7.489
   40   1HG   PRO1106          2HG       PRO1106  -5.504  -4.585   5.022
   41   2HG   PRO1106          1HG       PRO1106  -6.833  -4.400   6.182
   42   1HD   PRO1106          2HD       PRO1106  -4.810  -2.395   5.275
   43   2HD   PRO1106          1HD       PRO1106  -6.534  -2.175   5.642
   44    HA   PRO1107           HA       PRO1107  -1.744  -3.241  10.811
   45   1HB   PRO1107          2HB       PRO1107  -1.282  -5.682  11.888
   46   2HB   PRO1107          1HB       PRO1107  -2.527  -4.589  12.503
   47   1HG   PRO1107          2HG       PRO1107  -2.806  -6.938  10.667
   48   2HG   PRO1107          1HG       PRO1107  -3.821  -6.468  12.043
   49   1HD   PRO1107          2HD       PRO1107  -4.506  -5.954   9.468
   50   2HD   PRO1107          1HD       PRO1107  -4.976  -4.899  10.817
   51    H    LEU1108           H        LEU1108   0.507  -3.951  10.863
   52    HA   LEU1108           HA       LEU1108   1.289  -5.115   8.288
   53   1HB   LEU1108          2HB       LEU1108   3.084  -3.693  10.242
   54   2HB   LEU1108          1HB       LEU1108   3.383  -4.017   8.545
   55    HG   LEU1108           HG       LEU1108   1.161  -2.206   9.460
   56   1HD1  LEU1108          1HD1      LEU1108   2.835  -0.915  10.260
   57   2HD1  LEU1108          2HD1      LEU1108   2.999  -0.485   8.558
   58   3HD1  LEU1108          3HD1      LEU1108   4.064  -1.699   9.268
   59   1HD2  LEU1108          1HD2      LEU1108   0.919  -2.992   7.207
   60   2HD2  LEU1108          2HD2      LEU1108   2.601  -2.603   6.843
   61   3HD2  LEU1108          3HD2      LEU1108   1.445  -1.309   7.160
   62    H    ILE1109           H        ILE1109   2.840  -6.753   8.140
   63    HA   ILE1109           HA       ILE1109   3.261  -8.275  10.628
   64    HB   ILE1109           HB       ILE1109   3.633 -10.190   8.799
   65   1HG1  ILE1109          2HG1      ILE1109   1.351  -8.686   7.559
   66   2HG1  ILE1109          1HG1      ILE1109   3.002  -8.407   7.025
   67   1HG2  ILE1109          1HG2      ILE1109   1.942  -9.866  10.771
   68   2HG2  ILE1109          2HG2      ILE1109   1.658 -11.097   9.541
   69   3HG2  ILE1109          3HG2      ILE1109   0.797  -9.559   9.465
   70   1HD1  ILE1109          1HD1      ILE1109   1.650 -10.074   5.702
   71   2HD1  ILE1109          2HD1      ILE1109   1.781 -11.142   7.100
   72   3HD1  ILE1109          3HD1      ILE1109   3.236 -10.613   6.253
   73    H    SER1110           H        SER1110   5.301  -8.460  11.269
   74    HA   SER1110           HA       SER1110   7.441  -7.576   9.538
   75   1HB   SER1110          2HB       SER1110   8.746  -8.377  11.746
   76   2HB   SER1110          1HB       SER1110   7.941  -6.812  11.631
   77    HG   SER1110           HG       SER1110   6.775  -9.178  12.684
   78    H    SER1111           H        SER1111   8.827  -8.818   8.446
   79    HA   SER1111           HA       SER1111   8.837 -11.711   9.009
   80   1HB   SER1111          2HB       SER1111   8.984 -12.183   6.653
   81   2HB   SER1111          1HB       SER1111   7.616 -11.099   6.898
   82    HG   SER1111           HG       SER1111  10.087 -10.613   5.690
   83    H    ALA1112           H        ALA1112  10.748 -12.281   9.791
   84    HA   ALA1112           HA       ALA1112  13.169 -11.665   8.387
   85   1HB   ALA1112          1HB       ALA1112  12.868  -9.594   9.684
   86   2HB   ALA1112          2HB       ALA1112  14.310 -10.486  10.170
   87   3HB   ALA1112          3HB       ALA1112  12.858 -10.545  11.171
   88    H    LYS1113           H        LYS1113  13.881 -13.706   8.318
   89    HA   LYS1113           HA       LYS1113  13.605 -15.469  10.600
   90   1HB   LYS1113          2HB       LYS1113  14.561 -15.799   7.776
   91   2HB   LYS1113          1HB       LYS1113  14.919 -17.032   8.977
   92   1HG   LYS1113          2HG       LYS1113  12.577 -17.401   9.372
   93   2HG   LYS1113          1HG       LYS1113  12.150 -16.058   8.310
   94   1HD   LYS1113          2HD       LYS1113  13.627 -17.495   6.606
   95   2HD   LYS1113          1HD       LYS1113  13.051 -18.800   7.645
   96   1HE   LYS1113          2HE       LYS1113  10.743 -17.529   7.289
   97   2HE   LYS1113          1HE       LYS1113  11.548 -17.021   5.805
   98   1HZ   LYS1113          1HZ       LYS1113  11.715 -19.851   6.444
   99   2HZ   LYS1113          2HZ       LYS1113  11.476 -19.089   4.953
  100   3HZ   LYS1113          3HZ       LYS1113  10.178 -19.280   6.020
  101    H    ASP 658           H        ASP 658   6.479 -14.451  -4.365
  102    HA   ASP 658           HA       ASP 658   8.015 -13.768  -1.946
  103   1HB   ASP 658          2HB       ASP 658   8.681 -15.484  -4.060
  104   2HB   ASP 658          1HB       ASP 658   9.636 -14.029  -4.334
  105    H    SER 659           H        SER 659   8.472 -11.698  -1.634
  106    HA   SER 659           HA       SER 659   8.475  -9.888  -3.959
  107   1HB   SER 659          2HB       SER 659   6.465  -9.662  -2.419
  108   2HB   SER 659          1HB       SER 659   7.587  -9.093  -1.182
  109    HG   SER 659           HG       SER 659   7.326  -7.924  -3.754
  110    H    SER 660           H        SER 660   9.793  -7.949  -3.695
  111    HA   SER 660           HA       SER 660  12.334  -8.586  -2.529
  112   1HB   SER 660          2HB       SER 660  11.782  -7.219  -4.702
  113   2HB   SER 660          1HB       SER 660  11.675  -5.860  -3.584
  114    HG   SER 660           HG       SER 660  13.901  -7.608  -3.768
  115    H    GLU 661           H        GLU 661  13.452  -6.529  -1.423
  116    HA   GLU 661           HA       GLU 661  11.744  -5.869   0.881
  117   1HB   GLU 661          2HB       GLU 661  14.091  -7.193   0.940
  118   2HB   GLU 661          1HB       GLU 661  14.681  -5.542   1.084
  119   1HG   GLU 661          2HG       GLU 661  13.087  -5.243   2.996
  120   2HG   GLU 661          1HG       GLU 661  12.775  -6.977   2.910
  121    H    SER 662           H        SER 662  10.852  -3.940   0.301
  122    HA   SER 662           HA       SER 662  12.502  -1.624   0.470
  123   1HB   SER 662          2HB       SER 662  11.431  -0.881  -1.898
  124   2HB   SER 662          1HB       SER 662  13.040  -1.586  -1.737
  125    HG   SER 662           HG       SER 662  12.333  -3.437  -2.548
  126    H    CYS 663           H        CYS 663  11.355   0.008   1.309
  127    HA   CYS 663           HA       CYS 663   8.638  -0.363   2.006
  128   1HB   CYS 663          2HB       CYS 663  10.428   1.013   3.218
  129   2HB   CYS 663          1HB       CYS 663  10.087   2.274   2.040
  130    H    TRP 664           H        TRP 664   6.838   0.103   0.928
  131    HA   TRP 664           HA       TRP 664   6.871   1.013  -1.734
  132   1HB   TRP 664          2HB       TRP 664   4.648   0.646   0.269
  133   2HB   TRP 664          1HB       TRP 664   4.344   1.217  -1.368
  134    HD1  TRP 664           HD       TRP 664   6.923  -1.528  -0.654
  135    HE1  TRP 664           1HE      TRP 664   6.104  -3.720  -1.726
  136    HE3  TRP 664           3HE      TRP 664   2.259  -0.025  -2.134
  137    HZ2  TRP 664           2HZ      TRP 664   3.793  -4.684  -3.027
  138    HZ3  TRP 664           3HZ      TRP 664   0.810  -1.649  -3.284
  139    HH2  TRP 664           HH       TRP 664   1.560  -3.925  -3.720
  140    H    ASN 665           H        ASN 665   6.833   2.726   1.240
  141    HA   ASN 665           HA       ASN 665   5.911   5.193  -0.057
  142   1HB   ASN 665          2HB       ASN 665   4.709   4.966   1.918
  143   2HB   ASN 665          1HB       ASN 665   6.069   4.263   2.786
  144   1HD2  ASN 665          1HD2      ASN 665   6.714   5.533   4.352
  145   2HD2  ASN 665          2HD2      ASN 665   6.809   7.258   4.301
  146    H    CYS 666           H        CYS 666   8.391   4.335   2.365
  147    HA   CYS 666           HA       CYS 666   9.952   6.604   2.074
  148   1HB   CYS 666          2HB       CYS 666  10.697   3.806   2.915
  149   2HB   CYS 666          1HB       CYS 666  11.828   5.152   2.979
  150    H    GLY 667           H        GLY 667  10.678   3.393   0.629
  151   1HA   GLY 667          2HA       GLY 667  11.305   3.139  -1.657
  152   2HA   GLY 667          1HA       GLY 667  11.821   4.819  -1.670
  153    H    ARG 668           H        ARG 668  12.697   2.801   1.005
  154    HA   ARG 668           HA       ARG 668  15.424   2.551  -0.080
  155   1HB   ARG 668          2HB       ARG 668  14.495   3.570   2.575
  156   2HB   ARG 668          1HB       ARG 668  16.035   2.728   2.475
  157   1HG   ARG 668          2HG       ARG 668  16.531   4.390   0.547
  158   2HG   ARG 668          1HG       ARG 668  15.223   5.332   1.264
  159   1HD   ARG 668          2HD       ARG 668  17.048   6.190   2.370
  160   2HD   ARG 668          1HD       ARG 668  16.540   4.922   3.483
  161    HE   ARG 668           HE       ARG 668  18.484   3.795   3.037
  162   1HH1  ARG 668          1HH1      ARG 668  18.035   6.281   0.630
  163   2HH1  ARG 668          2HH1      ARG 668  19.610   6.074  -0.059
  164   1HH2  ARG 668          1HH2      ARG 668  20.557   3.521   2.132
  165   2HH2  ARG 668          2HH2      ARG 668  21.041   4.506   0.793
  166    H    LYS 669           H        LYS 669  13.466   1.408   2.682
  167    HA   LYS 669           HA       LYS 669  13.715  -1.325   1.881
  168   1HB   LYS 669          2HB       LYS 669  15.140  -2.160   3.565
  169   2HB   LYS 669          1HB       LYS 669  15.974  -0.760   2.904
  170   1HG   LYS 669          2HG       LYS 669  16.277  -0.385   5.126
  171   2HG   LYS 669          1HG       LYS 669  14.752   0.473   4.889
  172   1HD   LYS 669          2HD       LYS 669  13.867  -2.042   5.410
  173   2HD   LYS 669          1HD       LYS 669  15.329  -1.983   6.399
  174   1HE   LYS 669          2HE       LYS 669  13.153   0.103   6.457
  175   2HE   LYS 669          1HE       LYS 669  13.257  -1.251   7.581
  176   1HZ   LYS 669          1HZ       LYS 669  14.836   1.183   7.458
  177   2HZ   LYS 669          2HZ       LYS 669  15.701  -0.228   7.811
  178   3HZ   LYS 669          3HZ       LYS 669  14.404   0.236   8.793
  179    H    ALA 670           H        ALA 670  12.471  -2.754   3.169
  180    HA   ALA 670           HA       ALA 670  10.884  -1.570   5.320
  181   1HB   ALA 670          1HB       ALA 670   9.114  -3.128   3.713
  182   2HB   ALA 670          2HB       ALA 670   9.888  -1.907   2.702
  183   3HB   ALA 670          3HB       ALA 670   9.006  -1.422   4.150
  184    H    SER 671           H        SER 671  10.159  -3.021   6.849
  185    HA   SER 671           HA       SER 671  11.014  -5.817   6.476
  186   1HB   SER 671          2HB       SER 671  10.917  -4.335   9.108
  187   2HB   SER 671          1HB       SER 671  11.607  -5.929   8.801
  188    HG   SER 671           HG       SER 671  13.192  -4.939   7.525
  189    H    GLU 672           H        GLU 672   8.343  -3.864   6.812
  190    HA   GLU 672           HA       GLU 672   6.799  -5.980   8.155
  191   1HB   GLU 672          2HB       GLU 672   5.680  -3.244   7.678
  192   2HB   GLU 672          1HB       GLU 672   5.299  -4.397   8.948
  193   1HG   GLU 672          2HG       GLU 672   8.004  -3.138   8.855
  194   2HG   GLU 672          1HG       GLU 672   6.633  -2.242   9.505
  195    H    THR 673           H        THR 673   4.677  -6.463   7.304
  196    HA   THR 673           HA       THR 673   4.363  -5.829   4.452
  197    HB   THR 673           HB       THR 673   4.240  -8.567   5.728
  198    HG1  THR 673           1HG      THR 673   6.273  -8.212   5.113
  199   1HG2  THR 673          1HG2      THR 673   3.482  -7.803   2.914
  200   2HG2  THR 673          2HG2      THR 673   2.399  -8.432   4.156
  201   3HG2  THR 673          3HG2      THR 673   3.690  -9.448   3.514
  202    H    CYS 674           H        CYS 674   2.308  -5.530   3.735
  203    HA   CYS 674           HA       CYS 674   0.293  -4.959   5.648
  204   1HB   CYS 674          2HB       CYS 674   0.398  -3.738   3.552
  205   2HB   CYS 674          1HB       CYS 674   0.165  -5.222   2.636
  206    H    SER 675           H        SER 675  -0.565  -6.581   6.804
  207    HA   SER 675           HA       SER 675  -0.850  -9.237   5.890
  208   1HB   SER 675          2HB       SER 675  -2.243  -9.533   7.957
  209   2HB   SER 675          1HB       SER 675  -0.660  -8.814   8.250
  210    HG   SER 675           HG       SER 675  -2.986  -7.251   7.870
  211    H    GLY 676           H        GLY 676  -2.687  -6.522   5.123
  212   1HA   GLY 676          2HA       GLY 676  -5.258  -7.802   4.979
  213   2HA   GLY 676          1HA       GLY 676  -4.835  -6.233   4.314
  214    H    CYS 677           H        CYS 677  -2.820  -6.838   2.570
  215    HA   CYS 677           HA       CYS 677  -4.194  -8.577   0.635
  216   1HB   CYS 677          2HB       CYS 677  -3.057  -7.253  -1.119
  217   2HB   CYS 677          1HB       CYS 677  -4.110  -6.269  -0.109
  218    H    ASN 678           H        ASN 678  -1.423  -8.274   2.556
  219    HA   ASN 678           HA       ASN 678   0.501  -9.463   2.744
  220   1HB   ASN 678          2HB       ASN 678  -1.095 -11.372   2.580
  221   2HB   ASN 678          1HB       ASN 678  -0.820 -11.407   0.841
  222   1HD2  ASN 678          1HD2      ASN 678   0.629 -12.804   0.175
  223   2HD2  ASN 678          2HD2      ASN 678   1.947 -13.429   1.100
  224    H    THR 679           H        THR 679   0.087  -7.521   0.498
  225    HA   THR 679           HA       THR 679   2.252  -8.490  -1.246
  226    HB   THR 679           HB       THR 679  -0.113  -6.753  -1.951
  227    HG1  THR 679           1HG      THR 679   0.707  -9.295  -2.903
  228   1HG2  THR 679          1HG2      THR 679   2.456  -7.022  -3.292
  229   2HG2  THR 679          2HG2      THR 679   1.167  -5.840  -3.523
  230   3HG2  THR 679          3HG2      THR 679   1.076  -7.410  -4.319
  231    H    ALA 680           H        ALA 680   0.834  -5.709   0.366
  232    HA   ALA 680           HA       ALA 680   2.832  -3.858  -0.480
  233   1HB   ALA 680          1HB       ALA 680   1.685  -2.825   1.830
  234   2HB   ALA 680          2HB       ALA 680   0.411  -3.795   1.091
  235   3HB   ALA 680          3HB       ALA 680   1.189  -2.511   0.166
  236    H    ARG 681           H        ARG 681   4.365  -2.785   0.864
  237    HA   ARG 681           HA       ARG 681   5.225  -4.240   3.257
  238   1HB   ARG 681          2HB       ARG 681   6.948  -3.573   0.869
  239   2HB   ARG 681          1HB       ARG 681   7.611  -3.984   2.446
  240   1HG   ARG 681          2HG       ARG 681   5.662  -5.848   1.195
  241   2HG   ARG 681          1HG       ARG 681   7.312  -5.796   0.572
  242   1HD   ARG 681          2HD       ARG 681   6.580  -6.214   3.465
  243   2HD   ARG 681          1HD       ARG 681   6.966  -7.509   2.334
  244    HE   ARG 681           HE       ARG 681   9.000  -5.482   2.541
  245   1HH1  ARG 681          1HH1      ARG 681   7.790  -8.481   3.854
  246   2HH1  ARG 681          2HH1      ARG 681   9.318  -8.949   4.522
  247   1HH2  ARG 681          1HH2      ARG 681  11.010  -6.097   3.418
  248   2HH2  ARG 681          2HH2      ARG 681  11.145  -7.596   4.274
  249    H    TYR 682           H        TYR 682   6.147  -2.954   4.835
  250    HA   TYR 682           HA       TYR 682   6.860  -0.209   4.239
  251   1HB   TYR 682          2HB       TYR 682   4.539  -0.916   6.041
  252   2HB   TYR 682          1HB       TYR 682   5.333   0.656   6.053
  253    HD1  TYR 682           1HD      TYR 682   2.901  -1.439   4.424
  254    HD2  TYR 682           2HD      TYR 682   5.275   2.061   3.961
  255    HE1  TYR 682           1HE      TYR 682   1.434  -0.693   2.597
  256    HE2  TYR 682           2HE      TYR 682   3.814   2.817   2.134
  257    HH   TYR 682           HH       TYR 682   2.251   1.762   0.470
  258    H    CYS 683           H        CYS 683   8.175   0.731   5.824
  259    HA   CYS 683           HA       CYS 683   9.334  -1.199   7.667
  260   1HB   CYS 683          2HB       CYS 683  11.210   0.284   7.843
  261   2HB   CYS 683          1HB       CYS 683  10.789   0.148   6.142
  262    H    GLY 684           H        GLY 684   7.206   1.517   7.726
  263   1HA   GLY 684          2HA       GLY 684   7.079   1.280  10.632
  264   2HA   GLY 684          1HA       GLY 684   7.493   2.864   9.993
  265    H    SER 685           H        SER 685   5.182   2.033  11.571
  266    HA   SER 685           HA       SER 685   2.826   1.670  10.233
  267   1HB   SER 685          2HB       SER 685   1.708   2.627  12.108
  268   2HB   SER 685          1HB       SER 685   3.176   1.877  12.737
  269    HG   SER 685           HG       SER 685   4.142   3.975  12.678
  270    H    PHE 686           H        PHE 686   4.646   4.681  10.550
  271    HA   PHE 686           HA       PHE 686   2.651   6.362   9.457
  272   1HB   PHE 686          2HB       PHE 686   4.423   8.012   9.185
  273   2HB   PHE 686          1HB       PHE 686   4.561   7.227  10.752
  274    HD1  PHE 686           1HD      PHE 686   6.159   7.904   7.597
  275    HD2  PHE 686           2HD      PHE 686   6.329   5.510  11.111
  276    HE1  PHE 686           1HE      PHE 686   8.508   7.359   7.108
  277    HE2  PHE 686           2HE      PHE 686   8.677   4.960  10.628
  278    HZ   PHE 686           HZ       PHE 686   9.771   5.886   8.624
  279    H    CYS 687           H        CYS 687   5.190   4.398   8.037
  280    HA   CYS 687           HA       CYS 687   5.077   5.463   5.430
  281   1HB   CYS 687          2HB       CYS 687   5.770   2.611   6.123
  282   2HB   CYS 687          1HB       CYS 687   6.336   3.556   4.749
  283    H    GLN 688           H        GLN 688   3.396   2.714   6.920
  284    HA   GLN 688           HA       GLN 688   2.060   1.872   4.598
  285   1HB   GLN 688          2HB       GLN 688   0.715   0.520   5.991
  286   2HB   GLN 688          1HB       GLN 688   2.308   0.566   6.723
  287   1HG   GLN 688          2HG       GLN 688   1.602   1.786   8.525
  288   2HG   GLN 688          1HG       GLN 688   0.239   2.491   7.658
  289   1HE2  GLN 688          1HE2      GLN 688  -0.984   0.298   6.633
  290   2HE2  GLN 688          2HE2      GLN 688  -1.571  -0.703   7.901
  291    H    HIS 689           H        HIS 689   1.160   4.193   7.104
  292    HA   HIS 689           HA       HIS 689  -1.432   4.724   6.070
  293   1HB   HIS 689          2HB       HIS 689   0.352   6.001   8.095
  294   2HB   HIS 689          1HB       HIS 689  -1.042   6.902   7.505
  295    HD1  HIS 689           1HD      HIS 689  -1.389   6.433  10.303
  296    HD2  HIS 689           2HD      HIS 689  -2.242   3.410   7.584
  297    HE1  HIS 689           1HE      HIS 689  -2.926   4.854  11.515
  298    HE2  HIS 689           2HE      HIS 689  -3.354   2.984   9.880
  299    H    LYS 690           H        LYS 690   1.735   6.180   5.589
  300    HA   LYS 690           HA       LYS 690   0.992   8.526   4.292
  301   1HB   LYS 690          2HB       LYS 690   3.328   7.601   5.049
  302   2HB   LYS 690          1HB       LYS 690   3.408   7.000   3.401
  303   1HG   LYS 690          2HG       LYS 690   3.138   9.862   4.285
  304   2HG   LYS 690          1HG       LYS 690   4.526   9.106   3.503
  305   1HD   LYS 690          2HD       LYS 690   1.800   9.526   2.281
  306   2HD   LYS 690          1HD       LYS 690   3.258  10.444   1.912
  307   1HE   LYS 690          2HE       LYS 690   3.798   7.649   1.607
  308   2HE   LYS 690          1HE       LYS 690   2.344   8.064   0.702
  309   1HZ   LYS 690          1HZ       LYS 690   3.594   9.859  -0.365
  310   2HZ   LYS 690          2HZ       LYS 690   4.286   8.347  -0.668
  311   3HZ   LYS 690          3HZ       LYS 690   4.991   9.387   0.464
  312    H    ASP 691           H        ASP 691   1.836   5.387   2.833
  313    HA   ASP 691           HA       ASP 691   0.954   6.296   0.226
  314   1HB   ASP 691          2HB       ASP 691   2.334   3.886   1.297
  315   2HB   ASP 691          1HB       ASP 691   1.411   3.693  -0.192
  316    H    TRP 692           H        TRP 692  -0.548   5.054   2.938
  317    HA   TRP 692           HA       TRP 692  -2.319   3.154   2.177
  318   1HB   TRP 692          2HB       TRP 692  -2.201   4.070   4.442
  319   2HB   TRP 692          1HB       TRP 692  -2.937   5.568   3.886
  320    HD1  TRP 692           HD       TRP 692  -5.187   5.513   5.160
  321    HE1  TRP 692           1HE      TRP 692  -7.199   3.907   5.215
  322    HE3  TRP 692           3HE      TRP 692  -3.214   1.620   2.481
  323    HZ2  TRP 692           2HZ      TRP 692  -7.865   1.347   4.250
  324    HZ3  TRP 692           3HZ      TRP 692  -4.609  -0.366   2.095
  325    HH2  TRP 692           HH       TRP 692  -6.886  -0.499   2.963
  326    H    GLU 693           H        GLU 693  -2.695   6.648   1.581
  327    HA   GLU 693           HA       GLU 693  -5.233   6.611   0.496
  328   1HB   GLU 693          2HB       GLU 693  -4.865   8.786   0.204
  329   2HB   GLU 693          1HB       GLU 693  -3.253   8.509   0.845
  330   1HG   GLU 693          2HG       GLU 693  -2.338   8.332  -1.350
  331   2HG   GLU 693          1HG       GLU 693  -3.944   8.354  -2.079
  332    H    LYS 694           H        LYS 694  -2.157   5.848  -1.061
  333    HA   LYS 694           HA       LYS 694  -3.448   5.452  -3.630
  334   1HB   LYS 694          2HB       LYS 694  -0.604   4.729  -2.960
  335   2HB   LYS 694          1HB       LYS 694  -1.288   5.116  -4.532
  336   1HG   LYS 694          2HG       LYS 694  -1.406   7.230  -2.473
  337   2HG   LYS 694          1HG       LYS 694   0.182   6.828  -3.123
  338   1HD   LYS 694          2HD       LYS 694  -0.561   8.505  -4.550
  339   2HD   LYS 694          1HD       LYS 694  -0.963   7.027  -5.428
  340   1HE   LYS 694          2HE       LYS 694  -3.259   7.162  -4.610
  341   2HE   LYS 694          1HE       LYS 694  -2.860   8.628  -3.716
  342   1HZ   LYS 694          1HZ       LYS 694  -2.791   8.302  -6.667
  343   2HZ   LYS 694          2HZ       LYS 694  -2.326   9.700  -5.836
  344   3HZ   LYS 694          3HZ       LYS 694  -3.935   9.181  -5.783
  345    H    HIS 695           H        HIS 695  -1.695   3.486  -1.251
  346    HA   HIS 695           HA       HIS 695  -1.892   1.035  -2.522
  347   1HB   HIS 695          2HB       HIS 695  -0.461   1.482  -0.567
  348   2HB   HIS 695          1HB       HIS 695  -1.894   1.539   0.455
  349    HD1  HIS 695           1HD      HIS 695  -0.907  -1.037  -2.182
  350    HD2  HIS 695           2HD      HIS 695  -1.807  -0.740   1.863
  351    HE1  HIS 695           1HE      HIS 695  -0.921  -3.400  -1.285
  352    H    HIS 696           H        HIS 696  -4.194   2.496  -0.228
  353    HA   HIS 696           HA       HIS 696  -5.849   0.312   0.094
  354   1HB   HIS 696          2HB       HIS 696  -7.505   1.758   0.947
  355   2HB   HIS 696          1HB       HIS 696  -5.958   2.465   1.380
  356    HD1  HIS 696           1HD      HIS 696  -8.334   2.884  -1.586
  357    HD2  HIS 696           2HD      HIS 696  -6.086   5.107   1.104
  358    HE1  HIS 696           1HE      HIS 696  -8.774   5.292  -2.164
  359    HE2  HIS 696           2HE      HIS 696  -7.323   6.613  -0.594
  360    H    HIS 697           H        HIS 697  -5.607   2.410  -2.701
  361    HA   HIS 697           HA       HIS 697  -8.121   1.862  -3.853
  362   1HB   HIS 697          2HB       HIS 697  -5.475   2.348  -5.247
  363   2HB   HIS 697          1HB       HIS 697  -7.063   2.456  -5.992
  364    HD1  HIS 697           1HD      HIS 697  -8.594   4.241  -4.140
  365    HD2  HIS 697           2HD      HIS 697  -4.593   4.873  -5.065
  366    HE1  HIS 697           1HE      HIS 697  -8.185   6.690  -3.729
  367    HE2  HIS 697           2HE      HIS 697  -5.780   7.064  -4.378
  368    H    ILE 698           H        ILE 698  -5.193  -0.005  -3.547
  369    HA   ILE 698           HA       ILE 698  -6.245  -2.027  -5.398
  370    HB   ILE 698           HB       ILE 698  -3.573  -2.526  -4.295
  371   1HG1  ILE 698          2HG1      ILE 698  -3.116  -0.655  -6.395
  372   2HG1  ILE 698          1HG1      ILE 698  -4.130   0.135  -5.196
  373   1HG2  ILE 698          1HG2      ILE 698  -3.108  -3.267  -6.474
  374   2HG2  ILE 698          2HG2      ILE 698  -4.424  -2.318  -7.166
  375   3HG2  ILE 698          3HG2      ILE 698  -4.783  -3.726  -6.168
  376   1HD1  ILE 698          1HD1      ILE 698  -1.407  -1.063  -4.822
  377   2HD1  ILE 698          2HD1      ILE 698  -2.454  -0.633  -3.469
  378   3HD1  ILE 698          3HD1      ILE 698  -1.913   0.611  -4.595
  379    H    CYS 699           H        CYS 699  -4.763  -1.765  -2.170
  380    HA   CYS 699           HA       CYS 699  -4.727  -4.270  -1.233
  381   1HB   CYS 699          2HB       CYS 699  -4.264  -2.110   0.022
  382   2HB   CYS 699          1HB       CYS 699  -5.985  -2.063   0.389
  383    H    GLY 700           H        GLY 700  -6.057  -5.872  -0.600
  384   1HA   GLY 700          2HA       GLY 700  -8.061  -6.868   0.082
  385   2HA   GLY 700          1HA       GLY 700  -8.909  -5.375  -0.288
  386    H    GLN 701           H        GLN 701  -7.564  -5.328  -2.995
  387    HA   GLN 701           HA       GLN 701  -8.937  -7.578  -4.278
  388   1HB   GLN 701          2HB       GLN 701 -10.284  -5.333  -4.172
  389   2HB   GLN 701          1HB       GLN 701  -9.197  -4.839  -5.462
  390   1HG   GLN 701          2HG       GLN 701  -9.970  -7.203  -6.437
  391   2HG   GLN 701          1HG       GLN 701 -11.396  -6.805  -5.479
  392   1HE2  GLN 701          1HE2      GLN 701 -11.070  -6.995  -8.375
  393   2HE2  GLN 701          2HE2      GLN 701 -11.544  -5.460  -9.010
  394    H    THR 702           H        THR 702  -6.924  -8.473  -4.767
  395    HA   THR 702           HA       THR 702  -5.517  -7.117  -6.955
  396    HB   THR 702           HB       THR 702  -3.411  -8.298  -5.835
  397    HG1  THR 702           1HG      THR 702  -3.573  -8.051  -3.555
  398   1HG2  THR 702          1HG2      THR 702  -3.970  -5.867  -4.338
  399   2HG2  THR 702          2HG2      THR 702  -4.211  -5.698  -6.077
  400   3HG2  THR 702          3HG2      THR 702  -2.656  -6.242  -5.452
  401    H    LEU 703           H        LEU 703  -6.036  -8.417  -8.610
  402    HA   LEU 703           HA       LEU 703  -6.048 -11.309  -8.245
  403   1HB   LEU 703          2HB       LEU 703  -7.604  -9.589  -9.745
  404   2HB   LEU 703          1HB       LEU 703  -6.548 -10.311 -10.943
  405    HG   LEU 703           HG       LEU 703  -7.789 -12.223  -9.076
  406   1HD1  LEU 703          1HD1      LEU 703  -9.395 -10.337 -10.685
  407   2HD1  LEU 703          2HD1      LEU 703  -9.807 -11.214  -9.212
  408   3HD1  LEU 703          3HD1      LEU 703  -9.849 -12.039 -10.770
  409   1HD2  LEU 703          1HD2      LEU 703  -6.745 -13.346 -10.746
  410   2HD2  LEU 703          2HD2      LEU 703  -6.970 -12.043 -11.913
  411   3HD2  LEU 703          3HD2      LEU 703  -8.308 -13.127 -11.533
  412    H    GLN 704           H        GLN 704  -4.839  -9.220 -10.869
  413    HA   GLN 704           HA       GLN 704  -2.770 -11.126 -11.497
  414   1HB   GLN 704          2HB       GLN 704  -2.131  -9.410 -13.227
  415   2HB   GLN 704          1HB       GLN 704  -3.773 -10.025 -13.354
  416   1HG   GLN 704          2HG       GLN 704  -4.707  -8.033 -12.862
  417   2HG   GLN 704          1HG       GLN 704  -3.421  -7.581 -11.745
  418   1HE2  GLN 704          1HE2      GLN 704  -3.943  -5.528 -13.023
  419   2HE2  GLN 704          2HE2      GLN 704  -2.956  -5.236 -14.411
  420    H    ALA 705           H        ALA 705  -0.495 -10.250 -11.886
  421    HA   ALA 705           HA       ALA 705   0.314  -8.729  -9.499
  422   1HB   ALA 705          1HB       ALA 705   2.618  -9.840 -10.295
  423   2HB   ALA 705          2HB       ALA 705   1.486 -11.028 -10.941
  424   3HB   ALA 705          3HB       ALA 705   1.479 -10.648  -9.218
  425    H    GLN 706           H        GLN 706   2.554  -7.635  -9.873
  426    HA   GLN 706           HA       GLN 706   3.022  -6.596 -12.509
  427   1HB   GLN 706          2HB       GLN 706   1.681  -4.922 -10.409
  428   2HB   GLN 706          1HB       GLN 706   2.732  -4.175 -11.605
  429   1HG   GLN 706          2HG       GLN 706   1.229  -5.516 -13.288
  430   2HG   GLN 706          1HG       GLN 706   0.081  -5.473 -11.950
  431   1HE2  GLN 706          1HE2      GLN 706   0.424  -3.054 -10.866
  432   2HE2  GLN 706          2HE2      GLN 706   0.065  -1.806 -12.004
  433    H    GLN 707           H        GLN 707   4.495  -7.992 -10.438
  434    HA   GLN 707           HA       GLN 707   6.744  -6.137 -10.232
  435   1HB   GLN 707          2HB       GLN 707   5.302  -6.275  -8.065
  436   2HB   GLN 707          1HB       GLN 707   6.063  -7.846  -7.863
  437   1HG   GLN 707          2HG       GLN 707   7.813  -5.511  -8.397
  438   2HG   GLN 707          1HG       GLN 707   7.072  -5.650  -6.803
  439   1HE2  GLN 707          1HE2      GLN 707   9.817  -5.744  -7.209
  440   2HE2  GLN 707          2HE2      GLN 707  10.386  -7.326  -6.813
  Start of MODEL   15
    1    H    THR1101           H        THR1101  -9.061  13.410   5.435
    2    HA   THR1101           HA       THR1101  -7.756  11.469   5.532
    3    HB   THR1101           HB       THR1101  -9.198  10.377   7.520
    4    HG1  THR1101           1HG      THR1101 -10.587  12.009   8.339
    5   1HG2  THR1101          1HG2      THR1101  -7.230  12.300   7.391
    6   2HG2  THR1101          2HG2      THR1101  -7.853  11.528   8.850
    7   3HG2  THR1101          3HG2      THR1101  -8.517  13.073   8.316
    8    H    ILE1102           H        ILE1102  -8.275   9.015   6.392
    9    HA   ILE1102           HA       ILE1102 -10.195   7.737   4.606
   10    HB   ILE1102           HB       ILE1102  -7.321   6.826   4.633
   11   1HG1  ILE1102          2HG1      ILE1102  -8.747   8.472   2.529
   12   2HG1  ILE1102          1HG1      ILE1102  -7.480   9.061   3.600
   13   1HG2  ILE1102          1HG2      ILE1102  -8.299   5.790   2.409
   14   2HG2  ILE1102          2HG2      ILE1102  -9.821   5.953   3.286
   15   3HG2  ILE1102          3HG2      ILE1102  -8.508   4.995   3.969
   16   1HD1  ILE1102          1HD1      ILE1102  -5.865   7.629   2.573
   17   2HD1  ILE1102          2HD1      ILE1102  -6.708   8.525   1.310
   18   3HD1  ILE1102          3HD1      ILE1102  -7.112   6.835   1.613
   19    H    SER1103           H        SER1103 -10.495   5.436   5.094
   20    HA   SER1103           HA       SER1103 -10.888   4.936   7.792
   21   1HB   SER1103          2HB       SER1103 -11.808   3.719   5.668
   22   2HB   SER1103          1HB       SER1103 -10.409   2.667   5.887
   23    HG   SER1103           HG       SER1103 -11.520   1.701   7.370
   24    H    ASN1104           H        ASN1104  -9.934   2.660   8.682
   25    HA   ASN1104           HA       ASN1104  -7.050   3.146   8.894
   26   1HB   ASN1104          2HB       ASN1104  -8.837   1.511  10.705
   27   2HB   ASN1104          1HB       ASN1104  -7.151   1.924  10.999
   28   1HD2  ASN1104          1HD2      ASN1104  -8.944   2.528  12.894
   29   2HD2  ASN1104          2HD2      ASN1104  -9.221   4.232  12.960
   30    HA   PRO1105           HA       PRO1105  -6.604  -0.564   6.384
   31   1HB   PRO1105          2HB       PRO1105  -3.884  -0.561   6.345
   32   2HB   PRO1105          1HB       PRO1105  -4.865   0.484   5.312
   33   1HG   PRO1105          2HG       PRO1105  -3.489   1.124   7.891
   34   2HG   PRO1105          1HG       PRO1105  -3.578   2.085   6.403
   35   1HD   PRO1105          2HD       PRO1105  -5.141   2.595   8.546
   36   2HD   PRO1105          1HD       PRO1105  -5.698   2.860   6.882
   37    HA   PRO1106           HA       PRO1106  -6.002  -3.850   9.266
   38   1HB   PRO1106          2HB       PRO1106  -4.294  -5.148   7.205
   39   2HB   PRO1106          1HB       PRO1106  -5.727  -5.767   8.032
   40   1HG   PRO1106          2HG       PRO1106  -5.864  -4.972   5.497
   41   2HG   PRO1106          1HG       PRO1106  -7.190  -4.643   6.627
   42   1HD   PRO1106          2HD       PRO1106  -5.075  -2.801   5.591
   43   2HD   PRO1106          1HD       PRO1106  -6.791  -2.480   5.918
   44    HA   PRO1107           HA       PRO1107  -2.035  -3.551  11.182
   45   1HB   PRO1107          2HB       PRO1107  -1.530  -6.044  12.094
   46   2HB   PRO1107          1HB       PRO1107  -2.796  -5.021  12.783
   47   1HG   PRO1107          2HG       PRO1107  -3.034  -7.245  10.793
   48   2HG   PRO1107          1HG       PRO1107  -4.050  -6.892  12.203
   49   1HD   PRO1107          2HD       PRO1107  -4.758  -6.216   9.672
   50   2HD   PRO1107          1HD       PRO1107  -5.245  -5.269  11.091
   51    H    LEU1108           H        LEU1108   0.223  -4.116  11.097
   52    HA   LEU1108           HA       LEU1108   0.991  -5.160   8.473
   53   1HB   LEU1108          2HB       LEU1108   2.423  -3.491  10.526
   54   2HB   LEU1108          1HB       LEU1108   3.265  -4.216   9.169
   55    HG   LEU1108           HG       LEU1108   0.998  -2.230   8.965
   56   1HD1  LEU1108          1HD1      LEU1108   2.690  -0.845   9.550
   57   2HD1  LEU1108          2HD1      LEU1108   3.083  -1.001   7.838
   58   3HD1  LEU1108          3HD1      LEU1108   3.943  -1.972   9.033
   59   1HD2  LEU1108          1HD2      LEU1108   1.970  -4.113   7.089
   60   2HD2  LEU1108          2HD2      LEU1108   2.521  -2.519   6.574
   61   3HD2  LEU1108          3HD2      LEU1108   0.803  -2.816   6.835
   62    H    ILE1109           H        ILE1109   2.519  -6.796   8.208
   63    HA   ILE1109           HA       ILE1109   3.035  -8.413  10.617
   64    HB   ILE1109           HB       ILE1109   3.357 -10.256   8.725
   65   1HG1  ILE1109          2HG1      ILE1109   1.155  -8.553   7.559
   66   2HG1  ILE1109          1HG1      ILE1109   2.802  -8.552   6.942
   67   1HG2  ILE1109          1HG2      ILE1109   1.683  -9.983  10.721
   68   2HG2  ILE1109          2HG2      ILE1109   1.384 -11.177   9.457
   69   3HG2  ILE1109          3HG2      ILE1109   0.529  -9.633   9.433
   70   1HD1  ILE1109          1HD1      ILE1109   1.858 -11.241   7.155
   71   2HD1  ILE1109          2HD1      ILE1109   2.394 -10.351   5.730
   72   3HD1  ILE1109          3HD1      ILE1109   0.708 -10.265   6.241
   73    H    SER1110           H        SER1110   5.095  -8.605  11.192
   74    HA   SER1110           HA       SER1110   7.181  -7.668   9.418
   75   1HB   SER1110          2HB       SER1110   8.670  -7.999  11.358
   76   2HB   SER1110          1HB       SER1110   7.252  -7.041  11.786
   77    HG   SER1110           HG       SER1110   6.604  -8.576  13.081
   78    H    SER1111           H        SER1111   8.475  -8.896   8.213
   79    HA   SER1111           HA       SER1111   8.498 -11.800   8.718
   80   1HB   SER1111          2HB       SER1111   8.626 -12.194   6.340
   81   2HB   SER1111          1HB       SER1111   7.256 -11.127   6.646
   82    HG   SER1111           HG       SER1111   9.773 -10.514   5.535
   83    H    ALA1112           H        ALA1112  10.418 -12.519   9.332
   84    HA   ALA1112           HA       ALA1112  12.819 -11.881   7.954
   85   1HB   ALA1112          1HB       ALA1112  12.162 -10.349  10.382
   86   2HB   ALA1112          2HB       ALA1112  13.228  -9.946   9.036
   87   3HB   ALA1112          3HB       ALA1112  13.792 -11.019  10.317
   88    H    LYS1113           H        LYS1113  13.439 -13.958   7.850
   89    HA   LYS1113           HA       LYS1113  13.575 -15.488  10.364
   90   1HB   LYS1113          2HB       LYS1113  13.002 -16.279   7.544
   91   2HB   LYS1113          1HB       LYS1113  13.804 -17.440   8.592
   92   1HG   LYS1113          2HG       LYS1113  11.742 -16.587  10.165
   93   2HG   LYS1113          1HG       LYS1113  11.025 -16.549   8.554
   94   1HD   LYS1113          2HD       LYS1113  12.589 -18.935   9.465
   95   2HD   LYS1113          1HD       LYS1113  10.903 -18.734   9.947
   96   1HE   LYS1113          2HE       LYS1113  10.999 -18.209   7.189
   97   2HE   LYS1113          1HE       LYS1113  11.987 -19.645   7.449
   98   1HZ   LYS1113          1HZ       LYS1113   9.130 -19.246   8.095
   99   2HZ   LYS1113          2HZ       LYS1113  10.032 -20.489   8.802
  100   3HZ   LYS1113          3HZ       LYS1113   9.834 -20.439   7.123
  101    H    ASP 658           H        ASP 658   8.221 -14.552  -0.960
  102    HA   ASP 658           HA       ASP 658   7.690 -11.854   0.069
  103   1HB   ASP 658          2HB       ASP 658  10.444 -13.037  -0.356
  104   2HB   ASP 658          1HB       ASP 658  10.103 -11.369   0.099
  105    H    SER 659           H        SER 659   8.860 -10.186  -1.368
  106    HA   SER 659           HA       SER 659   8.904 -11.053  -4.171
  107   1HB   SER 659          2HB       SER 659   7.103  -9.037  -2.924
  108   2HB   SER 659          1HB       SER 659   7.758  -8.661  -4.517
  109    HG   SER 659           HG       SER 659   6.359  -9.996  -5.309
  110    H    SER 660           H        SER 660   9.357  -8.173  -2.113
  111    HA   SER 660           HA       SER 660  12.094  -7.906  -2.915
  112   1HB   SER 660          2HB       SER 660  11.437  -5.422  -3.717
  113   2HB   SER 660          1HB       SER 660  11.570  -6.781  -4.833
  114    HG   SER 660           HG       SER 660   9.609  -5.970  -5.265
  115    H    GLU 661           H        GLU 661  13.231  -6.811  -1.412
  116    HA   GLU 661           HA       GLU 661  11.794  -5.836   0.905
  117   1HB   GLU 661          2HB       GLU 661  14.752  -6.119   0.354
  118   2HB   GLU 661          1HB       GLU 661  14.072  -5.594   1.888
  119   1HG   GLU 661          2HG       GLU 661  12.787  -8.007   1.212
  120   2HG   GLU 661          1HG       GLU 661  14.509  -8.240   0.919
  121    H    SER 662           H        SER 662  10.859  -3.896   0.347
  122    HA   SER 662           HA       SER 662  12.511  -1.595   0.474
  123   1HB   SER 662          2HB       SER 662  11.425  -0.839  -1.886
  124   2HB   SER 662          1HB       SER 662  13.037  -1.538  -1.734
  125    HG   SER 662           HG       SER 662  10.699  -3.080  -2.174
  126    H    CYS 663           H        CYS 663  11.378   0.055   1.304
  127    HA   CYS 663           HA       CYS 663   8.674  -0.299   2.048
  128   1HB   CYS 663          2HB       CYS 663  10.550   1.117   3.147
  129   2HB   CYS 663          1HB       CYS 663  10.058   2.361   2.010
  130    H    TRP 664           H        TRP 664   6.864   0.130   0.969
  131    HA   TRP 664           HA       TRP 664   6.859   1.032  -1.693
  132   1HB   TRP 664          2HB       TRP 664   4.664   0.675   0.342
  133   2HB   TRP 664          1HB       TRP 664   4.335   1.241  -1.293
  134    HD1  TRP 664           HD       TRP 664   6.903  -1.517  -0.546
  135    HE1  TRP 664           1HE      TRP 664   6.084  -3.705  -1.627
  136    HE3  TRP 664           3HE      TRP 664   2.278   0.020  -2.114
  137    HZ2  TRP 664           2HZ      TRP 664   3.791  -4.655  -2.965
  138    HZ3  TRP 664           3HZ      TRP 664   0.838  -1.595  -3.284
  139    HH2  TRP 664           HH       TRP 664   1.578  -3.880  -3.701
  140    H    ASN 665           H        ASN 665   6.792   2.760   1.288
  141    HA   ASN 665           HA       ASN 665   5.899   5.224  -0.035
  142   1HB   ASN 665          2HB       ASN 665   4.683   4.992   1.936
  143   2HB   ASN 665          1HB       ASN 665   6.051   4.332   2.824
  144   1HD2  ASN 665          1HD2      ASN 665   6.821   5.644   4.298
  145   2HD2  ASN 665          2HD2      ASN 665   6.829   7.369   4.234
  146    H    CYS 666           H        CYS 666   8.381   4.335   2.383
  147    HA   CYS 666           HA       CYS 666   9.939   6.608   2.134
  148   1HB   CYS 666          2HB       CYS 666  10.639   3.794   2.935
  149   2HB   CYS 666          1HB       CYS 666  11.840   5.077   2.934
  150    H    GLY 667           H        GLY 667  10.686   3.437   0.618
  151   1HA   GLY 667          2HA       GLY 667  11.266   3.260  -1.698
  152   2HA   GLY 667          1HA       GLY 667  11.810   4.931  -1.653
  153    H    ARG 668           H        ARG 668  12.667   2.792   0.935
  154    HA   ARG 668           HA       ARG 668  15.369   2.498  -0.193
  155   1HB   ARG 668          2HB       ARG 668  14.569   3.428   2.555
  156   2HB   ARG 668          1HB       ARG 668  16.152   2.727   2.247
  157   1HG   ARG 668          2HG       ARG 668  15.091   5.081   0.712
  158   2HG   ARG 668          1HG       ARG 668  16.011   5.244   2.210
  159   1HD   ARG 668          2HD       ARG 668  17.003   3.757  -0.216
  160   2HD   ARG 668          1HD       ARG 668  17.358   5.451   0.106
  161    HE   ARG 668           HE       ARG 668  18.766   4.818   1.844
  162   1HH1  ARG 668          1HH1      ARG 668  17.178   2.026   0.467
  163   2HH1  ARG 668          2HH1      ARG 668  18.244   0.894   1.227
  164   1HH2  ARG 668          1HH2      ARG 668  20.163   3.326   2.839
  165   2HH2  ARG 668          2HH2      ARG 668  19.936   1.629   2.572
  166    H    LYS 669           H        LYS 669  13.575   1.440   2.711
  167    HA   LYS 669           HA       LYS 669  13.730  -1.315   1.885
  168   1HB   LYS 669          2HB       LYS 669  15.138  -2.144   3.586
  169   2HB   LYS 669          1HB       LYS 669  15.986  -0.759   2.914
  170   1HG   LYS 669          2HG       LYS 669  16.281  -0.395   5.148
  171   2HG   LYS 669          1HG       LYS 669  14.800   0.524   4.868
  172   1HD   LYS 669          2HD       LYS 669  13.870  -2.014   5.404
  173   2HD   LYS 669          1HD       LYS 669  15.250  -1.856   6.493
  174   1HE   LYS 669          2HE       LYS 669  13.824   0.579   6.607
  175   2HE   LYS 669          1HE       LYS 669  12.635  -0.719   6.718
  176   1HZ   LYS 669          1HZ       LYS 669  14.954  -0.216   8.487
  177   2HZ   LYS 669          2HZ       LYS 669  14.136  -1.695   8.476
  178   3HZ   LYS 669          3HZ       LYS 669  13.315  -0.279   8.903
  179    H    ALA 670           H        ALA 670  12.469  -2.721   3.160
  180    HA   ALA 670           HA       ALA 670  10.873  -1.532   5.304
  181   1HB   ALA 670          1HB       ALA 670   8.903  -2.859   4.054
  182   2HB   ALA 670          2HB       ALA 670   9.857  -2.358   2.658
  183   3HB   ALA 670          3HB       ALA 670   9.242  -1.149   3.786
  184    H    SER 671           H        SER 671  10.143  -2.991   6.833
  185    HA   SER 671           HA       SER 671  11.023  -5.779   6.458
  186   1HB   SER 671          2HB       SER 671  10.775  -4.743   9.220
  187   2HB   SER 671          1HB       SER 671  11.984  -5.817   8.519
  188    HG   SER 671           HG       SER 671  13.008  -4.041   7.626
  189    H    GLU 672           H        GLU 672   8.318  -3.854   6.817
  190    HA   GLU 672           HA       GLU 672   6.812  -6.019   8.125
  191   1HB   GLU 672          2HB       GLU 672   5.652  -3.291   7.706
  192   2HB   GLU 672          1HB       GLU 672   5.281  -4.480   8.943
  193   1HG   GLU 672          2HG       GLU 672   7.973  -3.197   8.898
  194   2HG   GLU 672          1HG       GLU 672   6.591  -2.318   9.546
  195    H    THR 673           H        THR 673   4.669  -6.476   7.293
  196    HA   THR 673           HA       THR 673   4.351  -5.846   4.440
  197    HB   THR 673           HB       THR 673   4.135  -8.577   5.725
  198    HG1  THR 673           1HG      THR 673   6.095  -8.736   5.050
  199   1HG2  THR 673          1HG2      THR 673   2.488  -8.785   4.153
  200   2HG2  THR 673          2HG2      THR 673   3.910  -9.219   3.205
  201   3HG2  THR 673          3HG2      THR 673   3.218  -7.603   3.067
  202    H    CYS 674           H        CYS 674   2.299  -5.517   3.734
  203    HA   CYS 674           HA       CYS 674   0.294  -4.927   5.653
  204   1HB   CYS 674          2HB       CYS 674   0.397  -3.690   3.575
  205   2HB   CYS 674          1HB       CYS 674   0.183  -5.164   2.639
  206    H    SER 675           H        SER 675  -0.602  -6.533   6.799
  207    HA   SER 675           HA       SER 675  -0.910  -9.186   5.887
  208   1HB   SER 675          2HB       SER 675  -2.045  -9.604   7.957
  209   2HB   SER 675          1HB       SER 675  -0.750  -8.454   8.290
  210    HG   SER 675           HG       SER 675  -3.517  -7.914   8.001
  211    H    GLY 676           H        GLY 676  -2.716  -6.442   5.127
  212   1HA   GLY 676          2HA       GLY 676  -5.303  -7.674   4.965
  213   2HA   GLY 676          1HA       GLY 676  -4.840  -6.124   4.276
  214    H    CYS 677           H        CYS 677  -2.859  -6.759   2.534
  215    HA   CYS 677           HA       CYS 677  -4.236  -8.544   0.642
  216   1HB   CYS 677          2HB       CYS 677  -3.165  -7.246  -1.152
  217   2HB   CYS 677          1HB       CYS 677  -4.167  -6.231  -0.121
  218    H    ASN 678           H        ASN 678  -1.472  -8.232   2.551
  219    HA   ASN 678           HA       ASN 678   0.454  -9.420   2.737
  220   1HB   ASN 678          2HB       ASN 678  -1.248 -11.263   1.094
  221   2HB   ASN 678          1HB       ASN 678   0.434 -11.674   1.415
  222   1HD2  ASN 678          1HD2      ASN 678   1.041 -11.392   3.799
  223   2HD2  ASN 678          2HD2      ASN 678  -0.079 -12.050   4.938
  224    H    THR 679           H        THR 679   0.047  -7.456   0.512
  225    HA   THR 679           HA       THR 679   2.217  -8.405  -1.238
  226    HB   THR 679           HB       THR 679  -0.129  -6.642  -1.943
  227    HG1  THR 679           1HG      THR 679  -0.935  -8.365  -2.851
  228   1HG2  THR 679          1HG2      THR 679   1.128  -5.788  -3.556
  229   2HG2  THR 679          2HG2      THR 679   1.078  -7.387  -4.298
  230   3HG2  THR 679          3HG2      THR 679   2.433  -6.937  -3.261
  231    H    ALA 680           H        ALA 680   0.795  -5.641   0.404
  232    HA   ALA 680           HA       ALA 680   2.795  -3.783  -0.426
  233   1HB   ALA 680          1HB       ALA 680   1.122  -2.461   0.206
  234   2HB   ALA 680          2HB       ALA 680   1.658  -2.736   1.863
  235   3HB   ALA 680          3HB       ALA 680   0.380  -3.736   1.173
  236    H    ARG 681           H        ARG 681   4.354  -2.742   0.908
  237    HA   ARG 681           HA       ARG 681   5.174  -4.198   3.316
  238   1HB   ARG 681          2HB       ARG 681   6.952  -3.541   0.962
  239   2HB   ARG 681          1HB       ARG 681   7.557  -4.040   2.537
  240   1HG   ARG 681          2HG       ARG 681   5.544  -5.810   1.310
  241   2HG   ARG 681          1HG       ARG 681   7.111  -5.731   0.502
  242   1HD   ARG 681          2HD       ARG 681   7.095  -6.037   3.453
  243   2HD   ARG 681          1HD       ARG 681   6.615  -7.431   2.486
  244    HE   ARG 681           HE       ARG 681   9.073  -6.208   1.628
  245   1HH1  ARG 681          1HH1      ARG 681   7.633  -8.541   3.788
  246   2HH1  ARG 681          2HH1      ARG 681   9.088  -9.467   3.957
  247   1HH2  ARG 681          1HH2      ARG 681  10.985  -7.424   1.850
  248   2HH2  ARG 681          2HH2      ARG 681  10.991  -8.833   2.858
  249    H    TYR 682           H        TYR 682   6.100  -2.927   4.892
  250    HA   TYR 682           HA       TYR 682   6.905  -0.211   4.297
  251   1HB   TYR 682          2HB       TYR 682   4.537  -0.809   6.080
  252   2HB   TYR 682          1HB       TYR 682   5.367   0.743   6.034
  253    HD1  TYR 682           1HD      TYR 682   2.877  -1.340   4.496
  254    HD2  TYR 682           2HD      TYR 682   5.385   2.037   3.855
  255    HE1  TYR 682           1HE      TYR 682   1.448  -0.641   2.621
  256    HE2  TYR 682           2HE      TYR 682   3.962   2.745   1.978
  257    HH   TYR 682           HH       TYR 682   2.363   1.625   0.355
  258    H    CYS 683           H        CYS 683   8.186   0.718   5.937
  259    HA   CYS 683           HA       CYS 683   9.282  -1.249   7.781
  260   1HB   CYS 683          2HB       CYS 683  11.154   0.235   8.040
  261   2HB   CYS 683          1HB       CYS 683  10.784   0.116   6.325
  262    H    GLY 684           H        GLY 684   7.140   1.436   7.835
  263   1HA   GLY 684          2HA       GLY 684   6.924   1.169  10.729
  264   2HA   GLY 684          1HA       GLY 684   7.381   2.758  10.134
  265    H    SER 685           H        SER 685   5.009   1.989  11.621
  266    HA   SER 685           HA       SER 685   2.706   1.697  10.134
  267   1HB   SER 685          2HB       SER 685   2.396   1.560  12.438
  268   2HB   SER 685          1HB       SER 685   3.280   3.055  12.747
  269    HG   SER 685           HG       SER 685   0.736   2.855  11.500
  270    H    PHE 686           H        PHE 686   4.772   4.462  10.324
  271    HA   PHE 686           HA       PHE 686   2.822   6.375   9.456
  272   1HB   PHE 686          2HB       PHE 686   4.737   7.171  10.691
  273   2HB   PHE 686          1HB       PHE 686   5.845   6.448   9.531
  274    HD1  PHE 686           1HD      PHE 686   6.070   7.420   7.269
  275    HD2  PHE 686           2HD      PHE 686   3.761   9.298  10.311
  276    HE1  PHE 686           1HE      PHE 686   6.118   9.527   6.000
  277    HE2  PHE 686           2HE      PHE 686   3.805  11.408   9.048
  278    HZ   PHE 686           HZ       PHE 686   4.984  11.525   6.889
  279    H    CYS 687           H        CYS 687   5.330   4.433   7.925
  280    HA   CYS 687           HA       CYS 687   5.141   5.527   5.345
  281   1HB   CYS 687          2HB       CYS 687   5.904   2.684   6.005
  282   2HB   CYS 687          1HB       CYS 687   6.418   3.640   4.618
  283    H    GLN 688           H        GLN 688   3.525   2.721   6.797
  284    HA   GLN 688           HA       GLN 688   2.172   1.895   4.478
  285   1HB   GLN 688          2HB       GLN 688   0.574   0.804   6.108
  286   2HB   GLN 688          1HB       GLN 688   2.263   0.340   6.236
  287   1HG   GLN 688          2HG       GLN 688   2.083   0.760   8.403
  288   2HG   GLN 688          1HG       GLN 688   2.057   2.467   7.968
  289   1HE2  GLN 688          1HE2      GLN 688  -0.405   0.012   7.416
  290   2HE2  GLN 688          2HE2      GLN 688  -1.629   0.779   8.352
  291    H    HIS 689           H        HIS 689   1.223   4.120   7.060
  292    HA   HIS 689           HA       HIS 689  -1.368   4.637   6.034
  293   1HB   HIS 689          2HB       HIS 689   0.375   5.786   8.133
  294   2HB   HIS 689          1HB       HIS 689  -0.869   6.852   7.486
  295    HD1  HIS 689           1HD      HIS 689  -1.712   6.564  10.088
  296    HD2  HIS 689           2HD      HIS 689  -2.182   3.315   7.541
  297    HE1  HIS 689           1HE      HIS 689  -3.423   5.089  11.193
  298    HE2  HIS 689           2HE      HIS 689  -3.599   3.071   9.695
  299    H    LYS 690           H        LYS 690   1.775   6.139   5.563
  300    HA   LYS 690           HA       LYS 690   0.997   8.484   4.277
  301   1HB   LYS 690          2HB       LYS 690   3.346   7.596   5.034
  302   2HB   LYS 690          1HB       LYS 690   3.436   6.992   3.387
  303   1HG   LYS 690          2HG       LYS 690   3.144   9.850   4.277
  304   2HG   LYS 690          1HG       LYS 690   4.524   9.108   3.466
  305   1HD   LYS 690          2HD       LYS 690   1.772   9.496   2.290
  306   2HD   LYS 690          1HD       LYS 690   3.202  10.456   1.916
  307   1HE   LYS 690          2HE       LYS 690   3.666   7.605   1.582
  308   2HE   LYS 690          1HE       LYS 690   2.343   8.190   0.577
  309   1HZ   LYS 690          1HZ       LYS 690   4.238  10.088   0.243
  310   2HZ   LYS 690          2HZ       LYS 690   3.952   8.802  -0.817
  311   3HZ   LYS 690          3HZ       LYS 690   5.167   8.677   0.354
  312    H    ASP 691           H        ASP 691   1.890   5.358   2.825
  313    HA   ASP 691           HA       ASP 691   0.986   6.239   0.217
  314   1HB   ASP 691          2HB       ASP 691   2.417   3.861   1.291
  315   2HB   ASP 691          1HB       ASP 691   1.490   3.642  -0.190
  316    H    TRP 692           H        TRP 692  -0.464   4.922   2.943
  317    HA   TRP 692           HA       TRP 692  -2.206   3.006   2.136
  318   1HB   TRP 692          2HB       TRP 692  -2.095   3.803   4.435
  319   2HB   TRP 692          1HB       TRP 692  -2.819   5.335   3.961
  320    HD1  TRP 692           HD       TRP 692  -5.120   5.296   5.112
  321    HE1  TRP 692           1HE      TRP 692  -7.128   3.684   5.129
  322    HE3  TRP 692           3HE      TRP 692  -3.061   1.387   2.530
  323    HZ2  TRP 692           2HZ      TRP 692  -7.758   1.110   4.174
  324    HZ3  TRP 692           3HZ      TRP 692  -4.435  -0.610   2.124
  325    HH2  TRP 692           HH       TRP 692  -6.735  -0.745   2.932
  326    H    GLU 693           H        GLU 693  -2.632   6.510   1.651
  327    HA   GLU 693           HA       GLU 693  -5.192   6.515   0.639
  328   1HB   GLU 693          2HB       GLU 693  -4.799   8.685   0.300
  329   2HB   GLU 693          1HB       GLU 693  -3.194   8.384   0.948
  330   1HG   GLU 693          2HG       GLU 693  -2.348   8.036  -1.320
  331   2HG   GLU 693          1HG       GLU 693  -3.961   8.346  -1.963
  332    H    LYS 694           H        LYS 694  -2.169   5.839  -1.076
  333    HA   LYS 694           HA       LYS 694  -3.576   5.444  -3.579
  334   1HB   LYS 694          2HB       LYS 694  -0.671   5.206  -2.801
  335   2HB   LYS 694          1HB       LYS 694  -1.268   4.832  -4.410
  336   1HG   LYS 694          2HG       LYS 694  -1.852   7.059  -4.837
  337   2HG   LYS 694          1HG       LYS 694  -1.754   7.498  -3.130
  338   1HD   LYS 694          2HD       LYS 694   0.569   6.695  -4.881
  339   2HD   LYS 694          1HD       LYS 694   0.170   8.343  -4.392
  340   1HE   LYS 694          2HE       LYS 694   0.359   7.495  -1.993
  341   2HE   LYS 694          1HE       LYS 694   1.125   6.064  -2.682
  342   1HZ   LYS 694          1HZ       LYS 694   2.076   8.860  -2.992
  343   2HZ   LYS 694          2HZ       LYS 694   2.806   7.497  -3.677
  344   3HZ   LYS 694          3HZ       LYS 694   2.770   7.681  -1.996
  345    H    HIS 695           H        HIS 695  -1.682   3.485  -1.297
  346    HA   HIS 695           HA       HIS 695  -1.846   1.058  -2.625
  347   1HB   HIS 695          2HB       HIS 695  -0.355   1.425  -0.732
  348   2HB   HIS 695          1HB       HIS 695  -1.737   1.555   0.353
  349    HD1  HIS 695           1HD      HIS 695  -0.867  -1.098  -2.256
  350    HD2  HIS 695           2HD      HIS 695  -1.776  -0.707   1.779
  351    HE1  HIS 695           1HE      HIS 695  -0.976  -3.444  -1.327
  352    H    HIS 696           H        HIS 696  -4.112   2.421  -0.240
  353    HA   HIS 696           HA       HIS 696  -5.722   0.204   0.072
  354   1HB   HIS 696          2HB       HIS 696  -7.379   1.600   1.003
  355   2HB   HIS 696          1HB       HIS 696  -5.831   2.315   1.419
  356    HD1  HIS 696           1HD      HIS 696  -8.285   2.785  -1.476
  357    HD2  HIS 696           2HD      HIS 696  -6.006   4.964   1.223
  358    HE1  HIS 696           1HE      HIS 696  -8.775   5.202  -1.971
  359    HE2  HIS 696           2HE      HIS 696  -7.305   6.500  -0.399
  360    H    HIS 697           H        HIS 697  -5.580   2.368  -2.675
  361    HA   HIS 697           HA       HIS 697  -8.111   1.800  -3.783
  362   1HB   HIS 697          2HB       HIS 697  -5.502   2.380  -5.212
  363   2HB   HIS 697          1HB       HIS 697  -7.102   2.455  -5.935
  364    HD1  HIS 697           1HD      HIS 697  -8.632   4.142  -3.948
  365    HD2  HIS 697           2HD      HIS 697  -4.718   4.946  -5.080
  366    HE1  HIS 697           1HE      HIS 697  -8.294   6.597  -3.512
  367    HE2  HIS 697           2HE      HIS 697  -5.888   7.036  -4.108
  368    H    ILE 698           H        ILE 698  -5.131   0.002  -3.591
  369    HA   ILE 698           HA       ILE 698  -6.124  -1.989  -5.496
  370    HB   ILE 698           HB       ILE 698  -3.480  -2.423  -4.259
  371   1HG1  ILE 698          2HG1      ILE 698  -3.129  -0.609  -6.474
  372   2HG1  ILE 698          1HG1      ILE 698  -4.060   0.172  -5.205
  373   1HG2  ILE 698          1HG2      ILE 698  -4.218  -2.395  -7.167
  374   2HG2  ILE 698          2HG2      ILE 698  -4.605  -3.754  -6.111
  375   3HG2  ILE 698          3HG2      ILE 698  -2.924  -3.284  -6.364
  376   1HD1  ILE 698          1HD1      ILE 698  -1.840   0.682  -4.724
  377   2HD1  ILE 698          2HD1      ILE 698  -1.296  -0.960  -5.063
  378   3HD1  ILE 698          3HD1      ILE 698  -2.243  -0.627  -3.614
  379    H    CYS 699           H        CYS 699  -4.712  -1.836  -2.238
  380    HA   CYS 699           HA       CYS 699  -4.724  -4.360  -1.363
  381   1HB   CYS 699          2HB       CYS 699  -4.290  -2.209  -0.052
  382   2HB   CYS 699          1HB       CYS 699  -6.012  -2.216   0.313
  383    H    GLY 700           H        GLY 700  -6.158  -5.737  -0.190
  384   1HA   GLY 700          2HA       GLY 700  -8.222  -6.641   0.383
  385   2HA   GLY 700          1HA       GLY 700  -9.010  -5.258  -0.364
  386    H    GLN 701           H        GLN 701  -6.609  -7.246  -1.972
  387    HA   GLN 701           HA       GLN 701  -8.452  -8.953  -3.299
  388   1HB   GLN 701          2HB       GLN 701  -8.065  -6.329  -4.418
  389   2HB   GLN 701          1HB       GLN 701  -7.442  -7.544  -5.527
  390   1HG   GLN 701          2HG       GLN 701 -10.039  -8.241  -4.417
  391   2HG   GLN 701          1HG       GLN 701 -10.052  -6.726  -5.317
  392   1HE2  GLN 701          1HE2      GLN 701 -11.534  -8.199  -6.601
  393   2HE2  GLN 701          2HE2      GLN 701 -10.802  -9.087  -7.891
  394    H    THR 702           H        THR 702  -7.380 -10.700  -3.973
  395    HA   THR 702           HA       THR 702  -4.628 -11.004  -3.566
  396    HB   THR 702           HB       THR 702  -4.927 -13.128  -4.916
  397    HG1  THR 702           1HG      THR 702  -6.643 -13.295  -6.082
  398   1HG2  THR 702          1HG2      THR 702  -6.755 -12.537  -2.615
  399   2HG2  THR 702          2HG2      THR 702  -5.214 -13.395  -2.605
  400   3HG2  THR 702          3HG2      THR 702  -6.631 -14.136  -3.348
  401    H    LEU 703           H        LEU 703  -2.973 -11.531  -5.161
  402    HA   LEU 703           HA       LEU 703  -3.380 -10.564  -7.866
  403   1HB   LEU 703          2HB       LEU 703  -2.334  -8.854  -5.883
  404   2HB   LEU 703          1HB       LEU 703  -0.973  -9.337  -6.877
  405    HG   LEU 703           HG       LEU 703  -3.488  -8.307  -8.147
  406   1HD1  LEU 703          1HD1      LEU 703  -2.266  -6.805  -6.280
  407   2HD1  LEU 703          2HD1      LEU 703  -3.039  -6.141  -7.720
  408   3HD1  LEU 703          3HD1      LEU 703  -1.294  -6.393  -7.692
  409   1HD2  LEU 703          1HD2      LEU 703  -0.731  -7.796  -9.127
  410   2HD2  LEU 703          2HD2      LEU 703  -2.222  -8.066 -10.028
  411   3HD2  LEU 703          3HD2      LEU 703  -1.381  -9.427  -9.285
  412    H    GLN 704           H        GLN 704  -2.402 -11.944  -9.180
  413    HA   GLN 704           HA       GLN 704  -0.230 -13.605  -8.128
  414   1HB   GLN 704          2HB       GLN 704  -1.956 -13.924 -10.588
  415   2HB   GLN 704          1HB       GLN 704  -0.674 -15.031 -10.119
  416   1HG   GLN 704          2HG       GLN 704  -2.025 -16.116  -8.747
  417   2HG   GLN 704          1HG       GLN 704  -2.475 -14.623  -7.925
  418   1HE2  GLN 704          1HE2      GLN 704  -3.978 -13.217  -9.379
  419   2HE2  GLN 704          2HE2      GLN 704  -5.322 -14.065 -10.058
  420    H    ALA 705           H        ALA 705   0.308 -10.891  -8.832
  421    HA   ALA 705           HA       ALA 705   2.563 -11.295 -10.535
  422   1HB   ALA 705          1HB       ALA 705   1.258 -11.081 -12.416
  423   2HB   ALA 705          2HB       ALA 705   1.719  -9.403 -12.133
  424   3HB   ALA 705          3HB       ALA 705   0.126  -9.975 -11.638
  425    H    GLN 706           H        GLN 706   3.998  -9.517 -10.543
  426    HA   GLN 706           HA       GLN 706   3.366  -7.009  -9.379
  427   1HB   GLN 706          2HB       GLN 706   3.449  -8.694  -7.402
  428   2HB   GLN 706          1HB       GLN 706   5.190  -8.642  -7.642
  429   1HG   GLN 706          2HG       GLN 706   4.971  -6.111  -7.448
  430   2HG   GLN 706          1HG       GLN 706   3.350  -6.422  -6.825
  431   1HE2  GLN 706          1HE2      GLN 706   5.168  -5.118  -5.282
  432   2HE2  GLN 706          2HE2      GLN 706   5.669  -6.127  -3.973
  433    H    GLN 707           H        GLN 707   5.949  -9.379  -9.921
  434    HA   GLN 707           HA       GLN 707   7.906  -7.315 -10.420
  435   1HB   GLN 707          2HB       GLN 707   7.901 -10.257 -10.170
  436   2HB   GLN 707          1HB       GLN 707   9.096  -9.601 -11.282
  437   1HG   GLN 707          2HG       GLN 707   9.850  -8.089  -9.435
  438   2HG   GLN 707          1HG       GLN 707   8.786  -8.988  -8.356
  439   1HE2  GLN 707          1HE2      GLN 707  11.685  -9.088 -10.268
  440   2HE2  GLN 707          2HE2      GLN 707  12.331 -10.536  -9.583
  Start of MODEL   16
    1    H    THR1101           H        THR1101  -9.740  13.063   7.066
    2    HA   THR1101           HA       THR1101  -8.443  11.585   5.929
    3    HB   THR1101           HB       THR1101  -8.784  10.155   8.550
    4    HG1  THR1101           1HG      THR1101  -7.741  12.766   8.188
    5   1HG2  THR1101          1HG2      THR1101  -6.297  10.417   8.588
    6   2HG2  THR1101          2HG2      THR1101  -6.405  11.011   6.932
    7   3HG2  THR1101          3HG2      THR1101  -6.927   9.372   7.315
    8    H    ILE1102           H        ILE1102  -7.841   9.261   5.545
    9    HA   ILE1102           HA       ILE1102 -10.149   7.858   4.546
   10    HB   ILE1102           HB       ILE1102  -7.299   6.876   4.544
   11   1HG1  ILE1102          2HG1      ILE1102  -8.662   8.523   2.406
   12   2HG1  ILE1102          1HG1      ILE1102  -7.521   9.179   3.575
   13   1HG2  ILE1102          1HG2      ILE1102  -8.539   5.089   3.844
   14   2HG2  ILE1102          2HG2      ILE1102  -8.295   5.912   2.303
   15   3HG2  ILE1102          3HG2      ILE1102  -9.818   6.099   3.171
   16   1HD1  ILE1102          1HD1      ILE1102  -5.840   8.608   2.265
   17   2HD1  ILE1102          2HD1      ILE1102  -6.987   7.976   1.084
   18   3HD1  ILE1102          3HD1      ILE1102  -6.335   6.917   2.334
   19    H    SER1103           H        SER1103 -10.513   5.552   4.960
   20    HA   SER1103           HA       SER1103 -10.903   4.982   7.651
   21   1HB   SER1103          2HB       SER1103 -11.886   3.875   5.485
   22   2HB   SER1103          1HB       SER1103 -10.540   2.753   5.678
   23    HG   SER1103           HG       SER1103 -12.698   3.245   7.429
   24    H    ASN1104           H        ASN1104  -9.997   3.044   8.824
   25    HA   ASN1104           HA       ASN1104  -7.114   3.296   8.887
   26   1HB   ASN1104          2HB       ASN1104  -7.277   1.900  10.929
   27   2HB   ASN1104          1HB       ASN1104  -8.312   3.323  11.000
   28   1HD2  ASN1104          1HD2      ASN1104  -8.383   0.596  12.278
   29   2HD2  ASN1104          2HD2      ASN1104  -9.987   0.030  11.984
   30    HA   PRO1105           HA       PRO1105  -6.655  -0.345   6.303
   31   1HB   PRO1105          2HB       PRO1105  -3.944  -0.459   6.395
   32   2HB   PRO1105          1HB       PRO1105  -4.822   0.688   5.377
   33   1HG   PRO1105          2HG       PRO1105  -3.560   1.117   8.058
   34   2HG   PRO1105          1HG       PRO1105  -3.515   2.157   6.623
   35   1HD   PRO1105          2HD       PRO1105  -5.176   2.634   8.701
   36   2HD   PRO1105          1HD       PRO1105  -5.620   3.016   7.024
   37    HA   PRO1106           HA       PRO1106  -6.018  -3.742   9.048
   38   1HB   PRO1106          2HB       PRO1106  -4.574  -5.513   7.583
   39   2HB   PRO1106          1HB       PRO1106  -6.278  -5.166   7.263
   40   1HG   PRO1106          2HG       PRO1106  -3.838  -4.106   5.891
   41   2HG   PRO1106          1HG       PRO1106  -5.365  -4.667   5.185
   42   1HD   PRO1106          2HD       PRO1106  -4.791  -2.041   5.526
   43   2HD   PRO1106          1HD       PRO1106  -6.444  -2.680   5.624
   44    HA   PRO1107           HA       PRO1107  -2.133  -3.626  11.137
   45   1HB   PRO1107          2HB       PRO1107  -1.726  -6.187  11.931
   46   2HB   PRO1107          1HB       PRO1107  -2.963  -5.148  12.647
   47   1HG   PRO1107          2HG       PRO1107  -3.248  -7.264  10.548
   48   2HG   PRO1107          1HG       PRO1107  -4.281  -6.934  11.952
   49   1HD   PRO1107          2HD       PRO1107  -4.917  -6.117   9.449
   50   2HD   PRO1107          1HD       PRO1107  -5.375  -5.201  10.899
   51    H    LEU1108           H        LEU1108   0.101  -4.125  11.035
   52    HA   LEU1108           HA       LEU1108   0.934  -5.143   8.424
   53   1HB   LEU1108          2HB       LEU1108   2.151  -3.354  10.478
   54   2HB   LEU1108          1HB       LEU1108   3.220  -4.237   9.406
   55    HG   LEU1108           HG       LEU1108   1.029  -2.384   8.468
   56   1HD1  LEU1108          1HD1      LEU1108   3.848  -1.644   8.079
   57   2HD1  LEU1108          2HD1      LEU1108   3.270  -1.571   9.744
   58   3HD1  LEU1108          3HD1      LEU1108   2.454  -0.644   8.485
   59   1HD2  LEU1108          1HD2      LEU1108   3.290  -3.758   7.022
   60   2HD2  LEU1108          2HD2      LEU1108   2.235  -2.532   6.318
   61   3HD2  LEU1108          3HD2      LEU1108   1.565  -4.079   6.836
   62    H    ILE1109           H        ILE1109   2.440  -6.790   8.169
   63    HA   ILE1109           HA       ILE1109   2.923  -8.422  10.576
   64    HB   ILE1109           HB       ILE1109   3.284 -10.249   8.673
   65   1HG1  ILE1109          2HG1      ILE1109   1.115  -8.513   7.487
   66   2HG1  ILE1109          1HG1      ILE1109   2.766  -8.558   6.882
   67   1HG2  ILE1109          1HG2      ILE1109   0.443  -9.640   9.337
   68   2HG2  ILE1109          2HG2      ILE1109   1.575  -9.994  10.643
   69   3HG2  ILE1109          3HG2      ILE1109   1.301 -11.181   9.367
   70   1HD1  ILE1109          1HD1      ILE1109   1.050  -9.981   5.682
   71   2HD1  ILE1109          2HD1      ILE1109   1.090 -11.030   7.099
   72   3HD1  ILE1109          3HD1      ILE1109   2.554 -10.771   6.152
   73    H    SER1110           H        SER1110   4.970  -8.611  11.187
   74    HA   SER1110           HA       SER1110   7.085  -7.697   9.422
   75   1HB   SER1110          2HB       SER1110   8.411  -8.419  11.648
   76   2HB   SER1110          1HB       SER1110   7.594  -6.865  11.486
   77    HG   SER1110           HG       SER1110   6.600  -9.212  12.732
   78    H    SER1111           H        SER1111   8.454  -8.965   8.340
   79    HA   SER1111           HA       SER1111   8.612 -11.810   9.069
   80   1HB   SER1111          2HB       SER1111   8.555 -12.457   6.734
   81   2HB   SER1111          1HB       SER1111   7.128 -11.483   7.087
   82    HG   SER1111           HG       SER1111   8.386 -10.973   5.109
   83    H    ALA1112           H        ALA1112  10.628 -12.147   9.726
   84    HA   ALA1112           HA       ALA1112  12.835 -11.449   7.986
   85   1HB   ALA1112          1HB       ALA1112  13.859  -9.886   9.241
   86   2HB   ALA1112          2HB       ALA1112  13.358 -10.626  10.761
   87   3HB   ALA1112          3HB       ALA1112  12.234  -9.604   9.865
   88    H    LYS1113           H        LYS1113  13.538 -13.498   7.758
   89    HA   LYS1113           HA       LYS1113  14.017 -15.076  10.194
   90   1HB   LYS1113          2HB       LYS1113  13.746 -15.996   7.325
   91   2HB   LYS1113          1HB       LYS1113  14.050 -17.046   8.704
   92   1HG   LYS1113          2HG       LYS1113  11.832 -15.850   9.578
   93   2HG   LYS1113          1HG       LYS1113  11.556 -15.718   7.841
   94   1HD   LYS1113          2HD       LYS1113  11.998 -18.168   7.659
   95   2HD   LYS1113          1HD       LYS1113  12.060 -18.235   9.422
   96   1HE   LYS1113          2HE       LYS1113   9.742 -17.163   9.364
   97   2HE   LYS1113          1HE       LYS1113   9.723 -17.576   7.651
   98   1HZ   LYS1113          1HZ       LYS1113   8.677 -19.344   8.753
   99   2HZ   LYS1113          2HZ       LYS1113   9.852 -19.415   9.967
  100   3HZ   LYS1113          3HZ       LYS1113  10.229 -19.918   8.397
  101    H    ASP 658           H        ASP 658  15.321  -4.466  -9.148
  102    HA   ASP 658           HA       ASP 658  15.159  -6.882  -7.468
  103   1HB   ASP 658          2HB       ASP 658  17.284  -5.633  -7.151
  104   2HB   ASP 658          1HB       ASP 658  16.351  -4.213  -6.686
  105    H    SER 659           H        SER 659  13.028  -7.068  -7.072
  106    HA   SER 659           HA       SER 659  11.721  -4.824  -5.714
  107   1HB   SER 659          2HB       SER 659  11.125  -5.265  -8.297
  108   2HB   SER 659          1HB       SER 659  10.012  -6.413  -7.552
  109    HG   SER 659           HG       SER 659  10.199  -3.720  -6.710
  110    H    SER 660           H        SER 660  11.667  -5.746  -3.727
  111    HA   SER 660           HA       SER 660   9.691  -7.632  -3.121
  112   1HB   SER 660          2HB       SER 660  11.559  -9.333  -2.200
  113   2HB   SER 660          1HB       SER 660  10.827  -9.497  -3.796
  114    HG   SER 660           HG       SER 660  13.204  -8.030  -3.313
  115    H    GLU 661           H        GLU 661  12.796  -6.268  -2.171
  116    HA   GLU 661           HA       GLU 661  11.755  -5.982   0.572
  117   1HB   GLU 661          2HB       GLU 661  14.472  -6.683  -0.448
  118   2HB   GLU 661          1HB       GLU 661  14.348  -5.768   1.048
  119   1HG   GLU 661          2HG       GLU 661  12.972  -7.519   2.023
  120   2HG   GLU 661          1HG       GLU 661  13.050  -8.432   0.517
  121    H    SER 662           H        SER 662  10.891  -3.949   0.385
  122    HA   SER 662           HA       SER 662  12.547  -1.744   0.749
  123   1HB   SER 662          2HB       SER 662  13.264  -1.612  -1.445
  124   2HB   SER 662          1HB       SER 662  11.755  -2.258  -2.089
  125    HG   SER 662           HG       SER 662  11.370  -0.225  -2.493
  126    H    CYS 663           H        CYS 663  11.405   0.058   1.372
  127    HA   CYS 663           HA       CYS 663   8.680  -0.341   2.070
  128   1HB   CYS 663          2HB       CYS 663  10.472   1.060   3.273
  129   2HB   CYS 663          1HB       CYS 663  10.097   2.309   2.094
  130    H    TRP 664           H        TRP 664   6.896   0.101   0.960
  131    HA   TRP 664           HA       TRP 664   6.959   0.993  -1.708
  132   1HB   TRP 664          2HB       TRP 664   4.717   0.629   0.271
  133   2HB   TRP 664          1HB       TRP 664   4.425   1.197  -1.369
  134    HD1  TRP 664           HD       TRP 664   6.999  -1.544  -0.612
  135    HE1  TRP 664           1HE      TRP 664   6.199  -3.739  -1.695
  136    HE3  TRP 664           3HE      TRP 664   2.361  -0.043  -2.171
  137    HZ2  TRP 664           2HZ      TRP 664   3.909  -4.704  -3.033
  138    HZ3  TRP 664           3HZ      TRP 664   0.932  -1.668  -3.342
  139    HH2  TRP 664           HH       TRP 664   1.688  -3.944  -3.764
  140    H    ASN 665           H        ASN 665   6.721   2.706   1.287
  141    HA   ASN 665           HA       ASN 665   5.849   5.162  -0.041
  142   1HB   ASN 665          2HB       ASN 665   4.647   4.932   1.933
  143   2HB   ASN 665          1HB       ASN 665   6.012   4.247   2.807
  144   1HD2  ASN 665          1HD2      ASN 665   6.651   5.528   4.365
  145   2HD2  ASN 665          2HD2      ASN 665   6.723   7.253   4.313
  146    H    CYS 666           H        CYS 666   8.357   4.318   2.362
  147    HA   CYS 666           HA       CYS 666   9.884   6.616   2.058
  148   1HB   CYS 666          2HB       CYS 666  10.685   3.835   2.909
  149   2HB   CYS 666          1HB       CYS 666  11.780   5.210   2.972
  150    H    GLY 667           H        GLY 667  10.622   3.402   0.617
  151   1HA   GLY 667          2HA       GLY 667  11.226   3.164  -1.679
  152   2HA   GLY 667          1HA       GLY 667  11.759   4.839  -1.680
  153    H    ARG 668           H        ARG 668  12.586   2.605   0.878
  154    HA   ARG 668           HA       ARG 668  15.294   2.336  -0.216
  155   1HB   ARG 668          2HB       ARG 668  14.486   3.734   2.238
  156   2HB   ARG 668          1HB       ARG 668  15.793   2.578   2.463
  157   1HG   ARG 668          2HG       ARG 668  16.974   3.705   0.552
  158   2HG   ARG 668          1HG       ARG 668  15.735   4.958   0.629
  159   1HD   ARG 668          2HD       ARG 668  17.669   5.664   1.884
  160   2HD   ARG 668          1HD       ARG 668  16.331   5.357   2.990
  161    HE   ARG 668           HE       ARG 668  17.661   3.010   2.991
  162   1HH1  ARG 668          1HH1      ARG 668  18.688   6.312   3.465
  163   2HH1  ARG 668          2HH1      ARG 668  19.987   5.886   4.528
  164   1HH2  ARG 668          1HH2      ARG 668  19.368   2.448   4.390
  165   2HH2  ARG 668          2HH2      ARG 668  20.374   3.693   5.053
  166    H    LYS 669           H        LYS 669  13.691   1.436   2.842
  167    HA   LYS 669           HA       LYS 669  13.854  -1.375   2.109
  168   1HB   LYS 669          2HB       LYS 669  15.448  -0.107   4.307
  169   2HB   LYS 669          1HB       LYS 669  14.915  -1.777   4.455
  170   1HG   LYS 669          2HG       LYS 669  16.521  -0.719   2.143
  171   2HG   LYS 669          1HG       LYS 669  17.217  -1.505   3.562
  172   1HD   LYS 669          2HD       LYS 669  16.601  -3.558   2.874
  173   2HD   LYS 669          1HD       LYS 669  15.034  -2.996   2.289
  174   1HE   LYS 669          2HE       LYS 669  15.888  -3.370   0.250
  175   2HE   LYS 669          1HE       LYS 669  16.737  -1.846   0.499
  176   1HZ   LYS 669          1HZ       LYS 669  17.788  -4.580   0.972
  177   2HZ   LYS 669          2HZ       LYS 669  18.591  -3.172   1.456
  178   3HZ   LYS 669          3HZ       LYS 669  18.314  -3.464  -0.186
  179    H    ALA 670           H        ALA 670  12.484  -2.711   3.251
  180    HA   ALA 670           HA       ALA 670  10.820  -1.521   5.349
  181   1HB   ALA 670          1HB       ALA 670   9.258  -1.157   3.749
  182   2HB   ALA 670          2HB       ALA 670   8.899  -2.856   4.054
  183   3HB   ALA 670          3HB       ALA 670   9.904  -2.401   2.679
  184    H    SER 671           H        SER 671  10.077  -2.961   6.877
  185    HA   SER 671           HA       SER 671  10.944  -5.757   6.542
  186   1HB   SER 671          2HB       SER 671  10.946  -5.537   9.210
  187   2HB   SER 671          1HB       SER 671  12.354  -5.134   8.229
  188    HG   SER 671           HG       SER 671  11.946  -3.441   9.633
  189    H    GLU 672           H        GLU 672   8.257  -3.808   6.837
  190    HA   GLU 672           HA       GLU 672   6.711  -5.934   8.162
  191   1HB   GLU 672          2HB       GLU 672   5.621  -3.182   7.676
  192   2HB   GLU 672          1HB       GLU 672   5.158  -4.356   8.897
  193   1HG   GLU 672          2HG       GLU 672   7.918  -3.307   9.048
  194   2HG   GLU 672          1HG       GLU 672   6.612  -2.187   9.431
  195    H    THR 673           H        THR 673   4.605  -6.432   7.289
  196    HA   THR 673           HA       THR 673   4.321  -5.808   4.431
  197    HB   THR 673           HB       THR 673   4.140  -8.543   5.713
  198    HG1  THR 673           1HG      THR 673   5.814  -8.983   4.215
  199   1HG2  THR 673          1HG2      THR 673   2.757  -9.162   4.101
  200   2HG2  THR 673          2HG2      THR 673   4.043  -8.820   2.944
  201   3HG2  THR 673          3HG2      THR 673   2.851  -7.578   3.330
  202    H    CYS 674           H        CYS 674   2.277  -5.516   3.689
  203    HA   CYS 674           HA       CYS 674   0.230  -4.949   5.570
  204   1HB   CYS 674          2HB       CYS 674   0.370  -3.721   3.482
  205   2HB   CYS 674          1HB       CYS 674   0.159  -5.202   2.556
  206    H    SER 675           H        SER 675  -0.697  -6.549   6.694
  207    HA   SER 675           HA       SER 675  -0.945  -9.214   5.788
  208   1HB   SER 675          2HB       SER 675  -2.038  -9.660   7.839
  209   2HB   SER 675          1HB       SER 675  -0.881  -8.378   8.199
  210    HG   SER 675           HG       SER 675  -2.533  -6.904   8.221
  211    H    GLY 676           H        GLY 676  -2.750  -6.501   4.942
  212   1HA   GLY 676          2HA       GLY 676  -5.317  -7.781   4.717
  213   2HA   GLY 676          1HA       GLY 676  -4.873  -6.211   4.065
  214    H    CYS 677           H        CYS 677  -2.774  -6.856   2.412
  215    HA   CYS 677           HA       CYS 677  -4.087  -8.576   0.418
  216   1HB   CYS 677          2HB       CYS 677  -2.817  -7.250  -1.275
  217   2HB   CYS 677          1HB       CYS 677  -3.982  -6.300  -0.360
  218    H    ASN 678           H        ASN 678  -1.376  -8.275   2.431
  219    HA   ASN 678           HA       ASN 678   0.542  -9.468   2.672
  220   1HB   ASN 678          2HB       ASN 678  -1.095 -11.366   2.422
  221   2HB   ASN 678          1HB       ASN 678  -0.676 -11.422   0.712
  222   1HD2  ASN 678          1HD2      ASN 678   0.047 -13.561   1.010
  223   2HD2  ASN 678          2HD2      ASN 678   1.580 -13.893   1.731
  224    H    THR 679           H        THR 679   0.168  -7.524   0.416
  225    HA   THR 679           HA       THR 679   2.375  -8.481  -1.282
  226    HB   THR 679           HB       THR 679   0.025  -6.744  -2.035
  227    HG1  THR 679           1HG      THR 679  -0.760  -8.622  -2.500
  228   1HG2  THR 679          1HG2      THR 679   2.618  -6.980  -3.302
  229   2HG2  THR 679          2HG2      THR 679   1.296  -5.857  -3.618
  230   3HG2  THR 679          3HG2      THR 679   1.296  -7.454  -4.368
  231    H    ALA 680           H        ALA 680   0.913  -5.712   0.312
  232    HA   ALA 680           HA       ALA 680   2.913  -3.846  -0.491
  233   1HB   ALA 680          1HB       ALA 680   0.448  -3.789   0.961
  234   2HB   ALA 680          2HB       ALA 680   1.315  -2.467   0.179
  235   3HB   ALA 680          3HB       ALA 680   1.685  -2.898   1.848
  236    H    ARG 681           H        ARG 681   4.433  -2.781   0.869
  237    HA   ARG 681           HA       ARG 681   5.256  -4.236   3.276
  238   1HB   ARG 681          2HB       ARG 681   7.013  -3.574   0.911
  239   2HB   ARG 681          1HB       ARG 681   7.653  -3.987   2.497
  240   1HG   ARG 681          2HG       ARG 681   5.719  -5.844   1.209
  241   2HG   ARG 681          1HG       ARG 681   7.384  -5.800   0.625
  242   1HD   ARG 681          2HD       ARG 681   6.585  -6.212   3.502
  243   2HD   ARG 681          1HD       ARG 681   6.985  -7.512   2.380
  244    HE   ARG 681           HE       ARG 681   9.048  -5.538   2.566
  245   1HH1  ARG 681          1HH1      ARG 681   7.716  -8.383   4.086
  246   2HH1  ARG 681          2HH1      ARG 681   9.211  -8.834   4.836
  247   1HH2  ARG 681          1HH2      ARG 681  11.015  -6.130   3.551
  248   2HH2  ARG 681          2HH2      ARG 681  11.083  -7.557   4.533
  249    H    TYR 682           H        TYR 682   6.159  -2.952   4.866
  250    HA   TYR 682           HA       TYR 682   6.889  -0.211   4.279
  251   1HB   TYR 682          2HB       TYR 682   4.536  -0.906   6.044
  252   2HB   TYR 682          1HB       TYR 682   5.335   0.665   6.062
  253    HD1  TYR 682           1HD      TYR 682   2.901  -1.412   4.425
  254    HD2  TYR 682           2HD      TYR 682   5.342   2.038   3.937
  255    HE1  TYR 682           1HE      TYR 682   1.474  -0.674   2.565
  256    HE2  TYR 682           2HE      TYR 682   3.920   2.788   2.076
  257    HH   TYR 682           HH       TYR 682   2.329   1.544   0.358
  258    H    CYS 683           H        CYS 683   8.167   0.736   5.897
  259    HA   CYS 683           HA       CYS 683   9.309  -1.201   7.746
  260   1HB   CYS 683          2HB       CYS 683  11.177   0.288   7.952
  261   2HB   CYS 683          1HB       CYS 683  10.776   0.158   6.245
  262    H    GLY 684           H        GLY 684   7.151   1.486   7.803
  263   1HA   GLY 684          2HA       GLY 684   7.031   1.255  10.712
  264   2HA   GLY 684          1HA       GLY 684   7.409   2.842  10.062
  265    H    SER 685           H        SER 685   5.112   1.940  11.644
  266    HA   SER 685           HA       SER 685   2.772   1.547  10.277
  267   1HB   SER 685          2HB       SER 685   1.777   3.063  12.180
  268   2HB   SER 685          1HB       SER 685   2.510   1.509  12.579
  269    HG   SER 685           HG       SER 685   3.378   3.007  13.955
  270    H    PHE 686           H        PHE 686   4.565   4.557  10.634
  271    HA   PHE 686           HA       PHE 686   2.528   6.233   9.571
  272   1HB   PHE 686          2HB       PHE 686   4.254   7.940   9.419
  273   2HB   PHE 686          1HB       PHE 686   4.385   7.095  10.956
  274    HD1  PHE 686           1HD      PHE 686   6.196   5.416  11.280
  275    HD2  PHE 686           2HD      PHE 686   6.025   7.951   7.865
  276    HE1  PHE 686           1HE      PHE 686   8.568   4.953  10.823
  277    HE2  PHE 686           2HE      PHE 686   8.398   7.492   7.401
  278    HZ   PHE 686           HZ       PHE 686   9.672   5.991   8.881
  279    H    CYS 687           H        CYS 687   5.154   4.375   8.168
  280    HA   CYS 687           HA       CYS 687   5.128   5.536   5.607
  281   1HB   CYS 687          2HB       CYS 687   5.858   2.701   6.355
  282   2HB   CYS 687          1HB       CYS 687   6.334   3.548   4.886
  283    H    GLN 688           H        GLN 688   3.334   2.795   6.948
  284    HA   GLN 688           HA       GLN 688   2.135   2.027   4.510
  285   1HB   GLN 688          2HB       GLN 688   0.680   0.643   5.798
  286   2HB   GLN 688          1HB       GLN 688   2.277   0.581   6.524
  287   1HG   GLN 688          2HG       GLN 688   1.471   1.231   8.473
  288   2HG   GLN 688          1HG       GLN 688   0.746   2.663   7.750
  289   1HE2  GLN 688          1HE2      GLN 688   0.002  -0.689   7.005
  290   2HE2  GLN 688          2HE2      GLN 688  -1.632  -0.636   7.551
  291    H    HIS 689           H        HIS 689   1.180   4.315   7.014
  292    HA   HIS 689           HA       HIS 689  -1.416   4.818   5.976
  293   1HB   HIS 689          2HB       HIS 689   0.343   6.036   8.033
  294   2HB   HIS 689          1HB       HIS 689  -0.936   7.052   7.374
  295    HD1  HIS 689           1HD      HIS 689  -1.681   6.795  10.025
  296    HD2  HIS 689           2HD      HIS 689  -2.217   3.519   7.527
  297    HE1  HIS 689           1HE      HIS 689  -3.353   5.325  11.196
  298    HE2  HIS 689           2HE      HIS 689  -3.590   3.304   9.710
  299    H    LYS 690           H        LYS 690   1.742   6.290   5.481
  300    HA   LYS 690           HA       LYS 690   0.975   8.611   4.147
  301   1HB   LYS 690          2HB       LYS 690   3.322   7.725   4.920
  302   2HB   LYS 690          1HB       LYS 690   3.408   7.094   3.283
  303   1HG   LYS 690          2HG       LYS 690   3.122   9.968   4.120
  304   2HG   LYS 690          1HG       LYS 690   4.504   9.208   3.333
  305   1HD   LYS 690          2HD       LYS 690   1.761   9.588   2.136
  306   2HD   LYS 690          1HD       LYS 690   3.204  10.519   1.741
  307   1HE   LYS 690          2HE       LYS 690   3.741   7.708   1.471
  308   2HE   LYS 690          1HE       LYS 690   2.307   8.141   0.544
  309   1HZ   LYS 690          1HZ       LYS 690   4.806   9.709   0.360
  310   2HZ   LYS 690          2HZ       LYS 690   3.504   9.676  -0.719
  311   3HZ   LYS 690          3HZ       LYS 690   4.541   8.345  -0.605
  312    H    ASP 691           H        ASP 691   1.856   5.457   2.756
  313    HA   ASP 691           HA       ASP 691   0.957   6.291   0.132
  314   1HB   ASP 691          2HB       ASP 691   2.383   3.933   1.255
  315   2HB   ASP 691          1HB       ASP 691   1.463   3.688  -0.227
  316    H    TRP 692           H        TRP 692  -0.495   5.019   2.880
  317    HA   TRP 692           HA       TRP 692  -2.242   3.093   2.112
  318   1HB   TRP 692          2HB       TRP 692  -2.131   3.956   4.393
  319   2HB   TRP 692          1HB       TRP 692  -2.872   5.465   3.876
  320    HD1  TRP 692           HD       TRP 692  -5.167   5.421   5.048
  321    HE1  TRP 692           1HE      TRP 692  -7.158   3.787   5.097
  322    HE3  TRP 692           3HE      TRP 692  -3.074   1.492   2.524
  323    HZ2  TRP 692           2HZ      TRP 692  -7.762   1.191   4.187
  324    HZ3  TRP 692           3HZ      TRP 692  -4.427  -0.525   2.155
  325    HH2  TRP 692           HH       TRP 692  -6.723  -0.673   2.972
  326    H    GLU 693           H        GLU 693  -2.682   6.587   1.570
  327    HA   GLU 693           HA       GLU 693  -5.235   6.562   0.541
  328   1HB   GLU 693          2HB       GLU 693  -4.851   8.729   0.162
  329   2HB   GLU 693          1HB       GLU 693  -3.254   8.447   0.838
  330   1HG   GLU 693          2HG       GLU 693  -2.417   8.005  -1.452
  331   2HG   GLU 693          1HG       GLU 693  -4.011   8.430  -2.075
  332    H    LYS 694           H        LYS 694  -2.195   5.885  -1.143
  333    HA   LYS 694           HA       LYS 694  -3.585   5.437  -3.646
  334   1HB   LYS 694          2HB       LYS 694  -0.675   5.189  -2.877
  335   2HB   LYS 694          1HB       LYS 694  -1.296   4.892  -4.496
  336   1HG   LYS 694          2HG       LYS 694  -1.475   7.076  -4.964
  337   2HG   LYS 694          1HG       LYS 694  -2.068   7.478  -3.352
  338   1HD   LYS 694          2HD       LYS 694   0.763   6.650  -3.543
  339   2HD   LYS 694          1HD       LYS 694   0.352   8.208  -4.263
  340   1HE   LYS 694          2HE       LYS 694  -0.729   8.844  -2.115
  341   2HE   LYS 694          1HE       LYS 694  -0.142   7.335  -1.419
  342   1HZ   LYS 694          1HZ       LYS 694   2.101   8.035  -1.746
  343   2HZ   LYS 694          2HZ       LYS 694   1.283   9.283  -0.947
  344   3HZ   LYS 694          3HZ       LYS 694   1.617   9.414  -2.600
  345    H    HIS 695           H        HIS 695  -1.682   3.530  -1.325
  346    HA   HIS 695           HA       HIS 695  -1.814   1.084  -2.621
  347   1HB   HIS 695          2HB       HIS 695  -0.342   1.509  -0.716
  348   2HB   HIS 695          1HB       HIS 695  -1.738   1.602   0.355
  349    HD1  HIS 695           1HD      HIS 695  -0.665  -1.019  -2.216
  350    HD2  HIS 695           2HD      HIS 695  -1.837  -0.669   1.754
  351    HE1  HIS 695           1HE      HIS 695  -0.744  -3.370  -1.293
  352    H    HIS 696           H        HIS 696  -4.107   2.461  -0.271
  353    HA   HIS 696           HA       HIS 696  -5.698   0.233   0.069
  354   1HB   HIS 696          2HB       HIS 696  -7.375   1.631   0.964
  355   2HB   HIS 696          1HB       HIS 696  -5.836   2.367   1.378
  356    HD1  HIS 696           1HD      HIS 696  -8.261   2.766  -1.555
  357    HD2  HIS 696           2HD      HIS 696  -6.046   5.009   1.146
  358    HE1  HIS 696           1HE      HIS 696  -8.769   5.170  -2.093
  359    HE2  HIS 696           2HE      HIS 696  -7.339   6.508  -0.514
  360    H    HIS 697           H        HIS 697  -5.559   2.357  -2.710
  361    HA   HIS 697           HA       HIS 697  -8.073   1.761  -3.830
  362   1HB   HIS 697          2HB       HIS 697  -5.448   2.307  -5.242
  363   2HB   HIS 697          1HB       HIS 697  -7.037   2.361  -5.989
  364    HD1  HIS 697           1HD      HIS 697  -8.594   4.079  -4.035
  365    HD2  HIS 697           2HD      HIS 697  -4.682   4.886  -5.176
  366    HE1  HIS 697           1HE      HIS 697  -8.273   6.545  -3.649
  367    HE2  HIS 697           2HE      HIS 697  -5.874   6.993  -4.269
  368    H    ILE 698           H        ILE 698  -5.112  -0.050  -3.556
  369    HA   ILE 698           HA       ILE 698  -6.126  -2.095  -5.400
  370    HB   ILE 698           HB       ILE 698  -3.463  -2.536  -4.231
  371   1HG1  ILE 698          2HG1      ILE 698  -3.062  -0.718  -6.410
  372   2HG1  ILE 698          1HG1      ILE 698  -4.039   0.082  -5.187
  373   1HG2  ILE 698          1HG2      ILE 698  -2.988  -2.931  -6.699
  374   2HG2  ILE 698          2HG2      ILE 698  -4.718  -2.699  -6.949
  375   3HG2  ILE 698          3HG2      ILE 698  -4.144  -4.007  -5.915
  376   1HD1  ILE 698          1HD1      ILE 698  -1.793   0.574  -4.688
  377   2HD1  ILE 698          2HD1      ILE 698  -1.306  -1.111  -4.877
  378   3HD1  ILE 698          3HD1      ILE 698  -2.308  -0.629  -3.507
  379    H    CYS 699           H        CYS 699  -4.721  -1.782  -2.151
  380    HA   CYS 699           HA       CYS 699  -4.633  -4.233  -1.128
  381   1HB   CYS 699          2HB       CYS 699  -4.433  -1.951   0.049
  382   2HB   CYS 699          1HB       CYS 699  -6.146  -2.142   0.403
  383    H    GLY 700           H        GLY 700  -5.866  -5.882  -0.510
  384   1HA   GLY 700          2HA       GLY 700  -8.531  -6.066  -1.530
  385   2HA   GLY 700          1HA       GLY 700  -7.685  -7.285  -0.584
  386    H    GLN 701           H        GLN 701  -7.322  -4.625   1.210
  387    HA   GLN 701           HA       GLN 701  -8.291  -3.773   3.080
  388   1HB   GLN 701          2HB       GLN 701 -10.612  -4.387   1.357
  389   2HB   GLN 701          1HB       GLN 701 -10.964  -4.221   3.071
  390   1HG   GLN 701          2HG       GLN 701  -9.242  -2.106   2.072
  391   2HG   GLN 701          1HG       GLN 701 -10.792  -2.184   1.233
  392   1HE2  GLN 701          1HE2      GLN 701  -9.424  -0.451   3.421
  393   2HE2  GLN 701          2HE2      GLN 701 -10.691  -0.230   4.575
  394    H    THR 702           H        THR 702 -10.519  -6.490   2.530
  395    HA   THR 702           HA       THR 702  -9.498  -7.701   5.015
  396    HB   THR 702           HB       THR 702 -12.296  -8.263   4.216
  397    HG1  THR 702           1HG      THR 702 -11.417  -5.740   5.135
  398   1HG2  THR 702          1HG2      THR 702 -10.755  -8.617   6.508
  399   2HG2  THR 702          2HG2      THR 702 -12.487  -8.897   6.323
  400   3HG2  THR 702          3HG2      THR 702 -11.904  -7.338   6.903
  401    H    LEU 703           H        LEU 703 -11.684  -8.674   2.369
  402    HA   LEU 703           HA       LEU 703  -9.939 -10.990   1.884
  403   1HB   LEU 703          2HB       LEU 703 -12.147 -11.366   3.263
  404   2HB   LEU 703          1HB       LEU 703 -12.903 -11.290   1.682
  405    HG   LEU 703           HG       LEU 703 -11.354 -13.136   0.950
  406   1HD1  LEU 703          1HD1      LEU 703 -10.293 -14.476   2.687
  407   2HD1  LEU 703          2HD1      LEU 703 -10.805 -13.312   3.908
  408   3HD1  LEU 703          3HD1      LEU 703  -9.646 -12.836   2.667
  409   1HD2  LEU 703          1HD2      LEU 703 -13.438 -13.975   1.292
  410   2HD2  LEU 703          2HD2      LEU 703 -13.531 -13.375   2.947
  411   3HD2  LEU 703          3HD2      LEU 703 -12.592 -14.824   2.586
  412    H    GLN 704           H        GLN 704 -10.228 -11.974  -0.235
  413    HA   GLN 704           HA       GLN 704 -10.257 -10.078  -2.305
  414   1HB   GLN 704          2HB       GLN 704  -9.296 -12.557  -2.125
  415   2HB   GLN 704          1HB       GLN 704 -10.808 -12.935  -2.939
  416   1HG   GLN 704          2HG       GLN 704  -8.908 -10.851  -3.962
  417   2HG   GLN 704          1HG       GLN 704  -8.776 -12.553  -4.399
  418   1HE2  GLN 704          1HE2      GLN 704 -11.029  -9.831  -4.382
  419   2HE2  GLN 704          2HE2      GLN 704 -11.885 -10.300  -5.807
  420    H    ALA 705           H        ALA 705 -12.209  -8.926  -2.177
  421    HA   ALA 705           HA       ALA 705 -14.377 -10.140  -3.648
  422   1HB   ALA 705          1HB       ALA 705 -15.962 -10.283  -2.046
  423   2HB   ALA 705          2HB       ALA 705 -15.344  -8.891  -1.157
  424   3HB   ALA 705          3HB       ALA 705 -14.565 -10.465  -0.985
  425    H    GLN 706           H        GLN 706 -15.393  -8.673  -4.888
  426    HA   GLN 706           HA       GLN 706 -14.568  -5.887  -4.628
  427   1HB   GLN 706          2HB       GLN 706 -16.162  -7.208  -6.831
  428   2HB   GLN 706          1HB       GLN 706 -15.454  -5.599  -6.873
  429   1HG   GLN 706          2HG       GLN 706 -13.246  -7.009  -6.382
  430   2HG   GLN 706          1HG       GLN 706 -14.186  -8.243  -7.220
  431   1HE2  GLN 706          1HE2      GLN 706 -13.330  -4.812  -7.520
  432   2HE2  GLN 706          2HE2      GLN 706 -13.091  -4.844  -9.231
  433    H    GLN 707           H        GLN 707 -15.946  -4.195  -4.276
  434    HA   GLN 707           HA       GLN 707 -17.772  -3.087  -3.496
  435   1HB   GLN 707          2HB       GLN 707 -19.088  -5.238  -5.141
  436   2HB   GLN 707          1HB       GLN 707 -20.029  -4.024  -4.284
  437   1HG   GLN 707          2HG       GLN 707 -19.695  -3.419  -6.615
  438   2HG   GLN 707          1HG       GLN 707 -18.928  -2.258  -5.531
  439   1HE2  GLN 707          1HE2      GLN 707 -18.480  -4.520  -8.052
  440   2HE2  GLN 707          2HE2      GLN 707 -16.774  -4.321  -8.239
  Start of MODEL   17
    1    H    THR1101           H        THR1101  -8.582  13.229   5.887
    2    HA   THR1101           HA       THR1101  -7.564  11.072   6.509
    3    HB   THR1101           HB       THR1101 -10.425  11.152   7.362
    4    HG1  THR1101           1HG      THR1101 -10.189  13.094   8.340
    5   1HG2  THR1101          1HG2      THR1101  -9.490  11.065   9.590
    6   2HG2  THR1101          2HG2      THR1101  -7.858  11.189   8.930
    7   3HG2  THR1101          3HG2      THR1101  -8.839   9.762   8.595
    8    H    ILE1102           H        ILE1102  -7.437   8.958   6.090
    9    HA   ILE1102           HA       ILE1102  -9.546   7.751   4.430
   10    HB   ILE1102           HB       ILE1102  -6.743   6.697   4.790
   11   1HG1  ILE1102          2HG1      ILE1102  -7.578   8.124   2.303
   12   2HG1  ILE1102          1HG1      ILE1102  -7.117   9.092   3.700
   13   1HG2  ILE1102          1HG2      ILE1102  -7.290   5.561   2.624
   14   2HG2  ILE1102          2HG2      ILE1102  -8.949   6.124   2.824
   15   3HG2  ILE1102          3HG2      ILE1102  -8.244   5.023   4.006
   16   1HD1  ILE1102          1HD1      ILE1102  -5.383   6.944   2.514
   17   2HD1  ILE1102          2HD1      ILE1102  -4.938   8.141   3.731
   18   3HD1  ILE1102          3HD1      ILE1102  -5.284   8.651   2.079
   19    H    SER1103           H        SER1103 -10.019   5.460   4.805
   20    HA   SER1103           HA       SER1103 -10.755   4.913   7.423
   21   1HB   SER1103          2HB       SER1103 -10.295   3.002   5.121
   22   2HB   SER1103          1HB       SER1103 -11.092   2.562   6.633
   23    HG   SER1103           HG       SER1103 -11.973   4.711   5.016
   24    H    ASN1104           H        ASN1104 -10.048   2.620   8.401
   25    HA   ASN1104           HA       ASN1104  -7.238   2.966   9.072
   26   1HB   ASN1104          2HB       ASN1104  -9.579   1.638  10.327
   27   2HB   ASN1104          1HB       ASN1104  -7.996   0.943  10.662
   28   1HD2  ASN1104          1HD2      ASN1104  -7.950   1.528  12.792
   29   2HD2  ASN1104          2HD2      ASN1104  -7.819   3.167  13.322
   30    HA   PRO1105           HA       PRO1105  -6.392  -0.311   6.059
   31   1HB   PRO1105          2HB       PRO1105  -3.671  -0.147   6.306
   32   2HB   PRO1105          1HB       PRO1105  -4.629   0.893   5.253
   33   1HG   PRO1105          2HG       PRO1105  -3.523   1.448   7.969
   34   2HG   PRO1105          1HG       PRO1105  -3.617   2.515   6.557
   35   1HD   PRO1105          2HD       PRO1105  -5.343   2.692   8.629
   36   2HD   PRO1105          1HD       PRO1105  -5.819   3.063   6.959
   37    HA   PRO1106           HA       PRO1106  -5.550  -3.840   8.563
   38   1HB   PRO1106          2HB       PRO1106  -3.684  -4.912   6.563
   39   2HB   PRO1106          1HB       PRO1106  -5.259  -5.529   7.067
   40   1HG   PRO1106          2HG       PRO1106  -4.869  -4.410   4.648
   41   2HG   PRO1106          1HG       PRO1106  -6.401  -4.253   5.526
   42   1HD   PRO1106          2HD       PRO1106  -4.165  -2.282   5.242
   43   2HD   PRO1106          1HD       PRO1106  -5.920  -2.011   5.193
   44    HA   PRO1107           HA       PRO1107  -1.727  -3.289  10.703
   45   1HB   PRO1107          2HB       PRO1107  -1.315  -5.757  11.757
   46   2HB   PRO1107          1HB       PRO1107  -2.558  -4.654  12.357
   47   1HG   PRO1107          2HG       PRO1107  -2.828  -6.975  10.485
   48   2HG   PRO1107          1HG       PRO1107  -3.872  -6.501  11.839
   49   1HD   PRO1107          2HD       PRO1107  -4.487  -5.951   9.259
   50   2HD   PRO1107          1HD       PRO1107  -4.956  -4.887  10.600
   51    H    LEU1108           H        LEU1108   0.524  -3.959  10.794
   52    HA   LEU1108           HA       LEU1108   1.380  -5.124   8.245
   53   1HB   LEU1108          2HB       LEU1108   3.149  -3.730  10.236
   54   2HB   LEU1108          1HB       LEU1108   3.437  -3.996   8.527
   55    HG   LEU1108           HG       LEU1108   1.246  -2.203   9.562
   56   1HD1  LEU1108          1HD1      LEU1108   3.260  -1.224  10.341
   57   2HD1  LEU1108          2HD1      LEU1108   2.803  -0.353   8.878
   58   3HD1  LEU1108          3HD1      LEU1108   4.090  -1.558   8.821
   59   1HD2  LEU1108          1HD2      LEU1108   2.552  -2.058   6.879
   60   2HD2  LEU1108          2HD2      LEU1108   0.948  -1.519   7.377
   61   3HD2  LEU1108          3HD2      LEU1108   1.279  -3.241   7.180
   62    H    ILE1109           H        ILE1109   2.902  -6.776   8.123
   63    HA   ILE1109           HA       ILE1109   3.307  -8.286  10.622
   64    HB   ILE1109           HB       ILE1109   3.665 -10.213   8.795
   65   1HG1  ILE1109          2HG1      ILE1109   1.377  -8.700   7.576
   66   2HG1  ILE1109          1HG1      ILE1109   3.025  -8.441   7.019
   67   1HG2  ILE1109          1HG2      ILE1109   1.698 -11.114   9.567
   68   2HG2  ILE1109          2HG2      ILE1109   0.837  -9.576   9.485
   69   3HG2  ILE1109          3HG2      ILE1109   1.993  -9.874  10.785
   70   1HD1  ILE1109          1HD1      ILE1109   1.581 -10.124   5.762
   71   2HD1  ILE1109          2HD1      ILE1109   1.843 -11.185   7.147
   72   3HD1  ILE1109          3HD1      ILE1109   3.217 -10.611   6.203
   73    H    SER1110           H        SER1110   5.346  -8.484  11.263
   74    HA   SER1110           HA       SER1110   7.492  -7.638   9.518
   75   1HB   SER1110          2HB       SER1110   8.818  -8.365  11.713
   76   2HB   SER1110          1HB       SER1110   7.943  -6.836  11.622
   77    HG   SER1110           HG       SER1110   6.992  -9.264  12.743
   78    H    SER1111           H        SER1111   8.792  -8.923   8.386
   79    HA   SER1111           HA       SER1111   8.822 -11.799   9.034
   80   1HB   SER1111          2HB       SER1111   9.140 -12.195   6.575
   81   2HB   SER1111          1HB       SER1111   7.566 -11.517   6.994
   82    HG   SER1111           HG       SER1111   8.066  -9.708   6.001
   83    H    ALA1112           H        ALA1112  10.748 -12.331   9.807
   84    HA   ALA1112           HA       ALA1112  13.140 -11.663   8.331
   85   1HB   ALA1112          1HB       ALA1112  12.541  -9.810  10.120
   86   2HB   ALA1112          2HB       ALA1112  14.205 -10.319   9.836
   87   3HB   ALA1112          3HB       ALA1112  13.309 -10.961  11.213
   88    H    LYS1113           H        LYS1113  13.787 -13.720   8.072
   89    HA   LYS1113           HA       LYS1113  14.009 -15.406  10.479
   90   1HB   LYS1113          2HB       LYS1113  13.337 -16.036   7.638
   91   2HB   LYS1113          1HB       LYS1113  14.175 -17.251   8.594
   92   1HG   LYS1113          2HG       LYS1113  11.706 -15.955   9.663
   93   2HG   LYS1113          1HG       LYS1113  11.586 -17.255   8.476
   94   1HD   LYS1113          2HD       LYS1113  13.430 -18.178  10.345
   95   2HD   LYS1113          1HD       LYS1113  12.182 -17.384  11.306
   96   1HE   LYS1113          2HE       LYS1113  11.633 -19.723  11.007
   97   2HE   LYS1113          1HE       LYS1113  10.469 -18.715  10.145
   98   1HZ   LYS1113          1HZ       LYS1113  11.400 -20.748   8.953
   99   2HZ   LYS1113          2HZ       LYS1113  12.825 -19.853   8.772
  100   3HZ   LYS1113          3HZ       LYS1113  11.380 -19.287   8.098
  101    H    ASP 658           H        ASP 658  12.889  -9.733 -10.170
  102    HA   ASP 658           HA       ASP 658  10.504  -8.285  -9.277
  103   1HB   ASP 658          2HB       ASP 658  10.861 -10.943  -9.598
  104   2HB   ASP 658          1HB       ASP 658  11.318 -10.782  -7.905
  105    H    SER 659           H        SER 659  10.202  -7.940  -6.953
  106    HA   SER 659           HA       SER 659  12.623  -7.833  -5.340
  107   1HB   SER 659          2HB       SER 659  12.604  -5.672  -6.526
  108   2HB   SER 659          1HB       SER 659  10.979  -5.356  -5.919
  109    HG   SER 659           HG       SER 659  12.198  -4.377  -4.445
  110    H    SER 660           H        SER 660  11.818  -6.477  -3.185
  111    HA   SER 660           HA       SER 660   9.187  -6.828  -2.311
  112   1HB   SER 660          2HB       SER 660   9.939  -8.778  -0.634
  113   2HB   SER 660          1HB       SER 660   9.207  -9.115  -2.203
  114    HG   SER 660           HG       SER 660  11.249 -10.240  -1.642
  115    H    GLU 661           H        GLU 661  12.587  -6.905  -1.400
  116    HA   GLU 661           HA       GLU 661  12.095  -5.815   1.221
  117   1HB   GLU 661          2HB       GLU 661  14.488  -6.659  -0.335
  118   2HB   GLU 661          1HB       GLU 661  14.731  -5.510   0.973
  119   1HG   GLU 661          2HG       GLU 661  13.086  -7.849   1.645
  120   2HG   GLU 661          1HG       GLU 661  14.774  -8.188   1.267
  121    H    SER 662           H        SER 662  10.885  -3.931   0.441
  122    HA   SER 662           HA       SER 662  12.490  -1.605   0.446
  123   1HB   SER 662          2HB       SER 662  11.463  -0.869  -1.892
  124   2HB   SER 662          1HB       SER 662  13.002  -1.723  -1.786
  125    HG   SER 662           HG       SER 662  11.903  -3.651  -2.239
  126    H    CYS 663           H        CYS 663  11.339   0.028   1.271
  127    HA   CYS 663           HA       CYS 663   8.630  -0.356   2.007
  128   1HB   CYS 663          2HB       CYS 663  10.467   1.046   3.157
  129   2HB   CYS 663          1HB       CYS 663  10.031   2.300   2.007
  130    H    TRP 664           H        TRP 664   6.822   0.087   0.929
  131    HA   TRP 664           HA       TRP 664   6.838   1.010  -1.729
  132   1HB   TRP 664          2HB       TRP 664   4.618   0.628   0.274
  133   2HB   TRP 664          1HB       TRP 664   4.315   1.179  -1.370
  134    HD1  TRP 664           HD       TRP 664   6.899  -1.546  -0.568
  135    HE1  TRP 664           1HE      TRP 664   6.117  -3.753  -1.640
  136    HE3  TRP 664           3HE      TRP 664   2.274  -0.075  -2.202
  137    HZ2  TRP 664           2HZ      TRP 664   3.852  -4.739  -2.993
  138    HZ3  TRP 664           3HZ      TRP 664   0.867  -1.717  -3.374
  139    HH2  TRP 664           HH       TRP 664   1.639  -3.997  -3.761
  140    H    ASN 665           H        ASN 665   6.723   2.698   1.273
  141    HA   ASN 665           HA       ASN 665   5.802   5.168  -0.012
  142   1HB   ASN 665          2HB       ASN 665   4.616   4.934   1.967
  143   2HB   ASN 665          1HB       ASN 665   5.976   4.216   2.822
  144   1HD2  ASN 665          1HD2      ASN 665   6.898   5.459   4.273
  145   2HD2  ASN 665          2HD2      ASN 665   6.898   7.186   4.289
  146    H    CYS 666           H        CYS 666   8.310   4.310   2.384
  147    HA   CYS 666           HA       CYS 666   9.846   6.596   2.106
  148   1HB   CYS 666          2HB       CYS 666  10.596   3.797   2.923
  149   2HB   CYS 666          1HB       CYS 666  11.755   5.120   2.943
  150    H    GLY 667           H        GLY 667  10.614   3.412   0.624
  151   1HA   GLY 667          2HA       GLY 667  11.200   3.206  -1.685
  152   2HA   GLY 667          1HA       GLY 667  11.715   4.886  -1.670
  153    H    ARG 668           H        ARG 668  12.622   2.816   0.956
  154    HA   ARG 668           HA       ARG 668  15.329   2.567  -0.172
  155   1HB   ARG 668          2HB       ARG 668  14.577   4.141   2.027
  156   2HB   ARG 668          1HB       ARG 668  15.352   2.721   2.716
  157   1HG   ARG 668          2HG       ARG 668  17.330   3.118   1.359
  158   2HG   ARG 668          1HG       ARG 668  16.550   4.515   0.614
  159   1HD   ARG 668          2HD       ARG 668  17.272   4.188   3.525
  160   2HD   ARG 668          1HD       ARG 668  18.066   5.243   2.356
  161    HE   ARG 668           HE       ARG 668  15.681   5.793   3.810
  162   1HH1  ARG 668          1HH1      ARG 668  17.281   6.369   0.762
  163   2HH1  ARG 668          2HH1      ARG 668  16.452   7.860   0.467
  164   1HH2  ARG 668          1HH2      ARG 668  14.589   7.754   3.422
  165   2HH2  ARG 668          2HH2      ARG 668  14.923   8.647   1.977
  166    H    LYS 669           H        LYS 669  13.467   1.443   2.664
  167    HA   LYS 669           HA       LYS 669  13.685  -1.296   1.844
  168   1HB   LYS 669          2HB       LYS 669  15.115  -2.127   3.534
  169   2HB   LYS 669          1HB       LYS 669  15.951  -0.744   2.842
  170   1HG   LYS 669          2HG       LYS 669  16.282  -0.358   5.064
  171   2HG   LYS 669          1HG       LYS 669  14.784   0.542   4.813
  172   1HD   LYS 669          2HD       LYS 669  13.973  -0.652   6.524
  173   2HD   LYS 669          1HD       LYS 669  13.880  -1.991   5.377
  174   1HE   LYS 669          2HE       LYS 669  15.469  -3.124   6.450
  175   2HE   LYS 669          1HE       LYS 669  16.543  -1.725   6.474
  176   1HZ   LYS 669          1HZ       LYS 669  14.792  -1.027   8.344
  177   2HZ   LYS 669          2HZ       LYS 669  16.206  -1.892   8.679
  178   3HZ   LYS 669          3HZ       LYS 669  14.734  -2.709   8.521
  179    H    ALA 670           H        ALA 670  12.459  -2.725   3.145
  180    HA   ALA 670           HA       ALA 670  10.882  -1.547   5.307
  181   1HB   ALA 670          1HB       ALA 670   8.978  -1.439   4.172
  182   2HB   ALA 670          2HB       ALA 670   9.126  -3.129   3.689
  183   3HB   ALA 670          3HB       ALA 670   9.862  -1.863   2.708
  184    H    SER 671           H        SER 671  10.163  -3.006   6.840
  185    HA   SER 671           HA       SER 671  11.056  -5.790   6.471
  186   1HB   SER 671          2HB       SER 671  11.090  -5.592   9.138
  187   2HB   SER 671          1HB       SER 671  12.477  -5.148   8.144
  188    HG   SER 671           HG       SER 671  11.922  -3.011   8.338
  189    H    GLU 672           H        GLU 672   8.350  -3.871   6.821
  190    HA   GLU 672           HA       GLU 672   6.841  -6.028   8.139
  191   1HB   GLU 672          2HB       GLU 672   5.682  -3.303   7.705
  192   2HB   GLU 672          1HB       GLU 672   5.314  -4.482   8.952
  193   1HG   GLU 672          2HG       GLU 672   8.023  -3.258   8.922
  194   2HG   GLU 672          1HG       GLU 672   6.661  -2.289   9.482
  195    H    THR 673           H        THR 673   4.694  -6.486   7.301
  196    HA   THR 673           HA       THR 673   4.379  -5.852   4.450
  197    HB   THR 673           HB       THR 673   4.259  -8.594   5.719
  198    HG1  THR 673           1HG      THR 673   5.879  -9.026   4.216
  199   1HG2  THR 673          1HG2      THR 673   3.579  -7.889   2.871
  200   2HG2  THR 673          2HG2      THR 673   2.411  -8.353   4.108
  201   3HG2  THR 673          3HG2      THR 673   3.639  -9.503   3.580
  202    H    CYS 674           H        CYS 674   2.320  -5.558   3.735
  203    HA   CYS 674           HA       CYS 674   0.303  -4.993   5.650
  204   1HB   CYS 674          2HB       CYS 674   0.418  -3.786   3.535
  205   2HB   CYS 674          1HB       CYS 674   0.152  -5.277   2.640
  206    H    SER 675           H        SER 675  -0.546  -6.619   6.809
  207    HA   SER 675           HA       SER 675  -0.817  -9.277   5.893
  208   1HB   SER 675          2HB       SER 675  -2.058  -9.663   7.974
  209   2HB   SER 675          1HB       SER 675  -0.604  -8.711   8.272
  210    HG   SER 675           HG       SER 675  -2.088  -6.837   8.065
  211    H    GLY 676           H        GLY 676  -2.686  -6.574   5.153
  212   1HA   GLY 676          2HA       GLY 676  -5.239  -7.903   5.020
  213   2HA   GLY 676          1HA       GLY 676  -4.860  -6.308   4.390
  214    H    CYS 677           H        CYS 677  -2.816  -6.868   2.633
  215    HA   CYS 677           HA       CYS 677  -4.193  -8.542   0.643
  216   1HB   CYS 677          2HB       CYS 677  -2.980  -7.175  -1.055
  217   2HB   CYS 677          1HB       CYS 677  -4.098  -6.241  -0.069
  218    H    ASN 678           H        ASN 678  -1.413  -8.287   2.570
  219    HA   ASN 678           HA       ASN 678   0.501  -9.497   2.735
  220   1HB   ASN 678          2HB       ASN 678  -1.382 -11.279   1.328
  221   2HB   ASN 678          1HB       ASN 678   0.318 -11.699   1.139
  222   1HD2  ASN 678          1HD2      ASN 678   0.724 -13.317   2.460
  223   2HD2  ASN 678          2HD2      ASN 678   0.280 -13.399   4.128
  224    H    THR 679           H        THR 679   0.068  -7.522   0.494
  225    HA   THR 679           HA       THR 679   2.241  -8.474  -1.251
  226    HB   THR 679           HB       THR 679  -0.091  -6.695  -1.967
  227    HG1  THR 679           1HG      THR 679  -0.964  -8.441  -2.715
  228   1HG2  THR 679          1HG2      THR 679   2.459  -7.042  -3.281
  229   2HG2  THR 679          2HG2      THR 679   1.154  -5.905  -3.618
  230   3HG2  THR 679          3HG2      THR 679   1.111  -7.527  -4.308
  231    H    ALA 680           H        ALA 680   0.823  -5.708   0.388
  232    HA   ALA 680           HA       ALA 680   2.824  -3.853  -0.455
  233   1HB   ALA 680          1HB       ALA 680   1.597  -2.922   1.912
  234   2HB   ALA 680          2HB       ALA 680   0.362  -3.756   0.969
  235   3HB   ALA 680          3HB       ALA 680   1.279  -2.433   0.248
  236    H    ARG 681           H        ARG 681   4.367  -2.795   0.889
  237    HA   ARG 681           HA       ARG 681   5.195  -4.244   3.298
  238   1HB   ARG 681          2HB       ARG 681   6.975  -3.574   0.950
  239   2HB   ARG 681          1HB       ARG 681   7.577  -4.073   2.524
  240   1HG   ARG 681          2HG       ARG 681   5.580  -5.847   1.275
  241   2HG   ARG 681          1HG       ARG 681   7.161  -5.765   0.494
  242   1HD   ARG 681          2HD       ARG 681   7.056  -6.092   3.448
  243   2HD   ARG 681          1HD       ARG 681   6.661  -7.483   2.439
  244    HE   ARG 681           HE       ARG 681   9.085  -6.254   1.607
  245   1HH1  ARG 681          1HH1      ARG 681   7.739  -8.359   4.042
  246   2HH1  ARG 681          2HH1      ARG 681   9.235  -9.177   4.342
  247   1HH2  ARG 681          1HH2      ARG 681  11.056  -7.328   2.000
  248   2HH2  ARG 681          2HH2      ARG 681  11.118  -8.591   3.183
  249    H    TYR 682           H        TYR 682   6.120  -2.963   4.874
  250    HA   TYR 682           HA       TYR 682   6.881  -0.232   4.272
  251   1HB   TYR 682          2HB       TYR 682   4.538  -0.882   6.071
  252   2HB   TYR 682          1HB       TYR 682   5.349   0.681   6.045
  253    HD1  TYR 682           1HD      TYR 682   5.292   2.046   3.936
  254    HD2  TYR 682           2HD      TYR 682   2.912  -1.441   4.449
  255    HE1  TYR 682           1HE      TYR 682   3.841   2.772   2.087
  256    HE2  TYR 682           2HE      TYR 682   1.455  -0.727   2.602
  257    HH   TYR 682           HH       TYR 682   2.285   1.705   0.440
  258    H    CYS 683           H        CYS 683   8.175   0.706   5.888
  259    HA   CYS 683           HA       CYS 683   9.305  -1.237   7.735
  260   1HB   CYS 683          2HB       CYS 683  11.170   0.263   7.964
  261   2HB   CYS 683          1HB       CYS 683  10.787   0.117   6.254
  262    H    GLY 684           H        GLY 684   7.163   1.458   7.781
  263   1HA   GLY 684          2HA       GLY 684   6.968   1.201  10.678
  264   2HA   GLY 684          1HA       GLY 684   7.410   2.789  10.070
  265    H    SER 685           H        SER 685   5.043   1.986  11.572
  266    HA   SER 685           HA       SER 685   2.735   1.659  10.121
  267   1HB   SER 685          2HB       SER 685   2.368   3.639  12.231
  268   2HB   SER 685          1HB       SER 685   1.731   1.999  12.104
  269    HG   SER 685           HG       SER 685   3.496   1.219  13.107
  270    H    PHE 686           H        PHE 686   4.649   4.573  10.503
  271    HA   PHE 686           HA       PHE 686   2.757   6.400   9.468
  272   1HB   PHE 686          2HB       PHE 686   4.668   7.220  10.698
  273   2HB   PHE 686          1HB       PHE 686   5.780   6.488   9.548
  274    HD1  PHE 686           1HD      PHE 686   3.647   9.325  10.271
  275    HD2  PHE 686           2HD      PHE 686   6.031   7.441   7.292
  276    HE1  PHE 686           1HE      PHE 686   3.678  11.418   8.977
  277    HE2  PHE 686           2HE      PHE 686   6.067   9.530   5.992
  278    HZ   PHE 686           HZ       PHE 686   4.889  11.523   6.836
  279    H    CYS 687           H        CYS 687   5.270   4.427   7.978
  280    HA   CYS 687           HA       CYS 687   5.091   5.487   5.383
  281   1HB   CYS 687          2HB       CYS 687   5.829   2.647   6.082
  282   2HB   CYS 687          1HB       CYS 687   6.349   3.579   4.680
  283    H    GLN 688           H        GLN 688   3.429   2.734   6.887
  284    HA   GLN 688           HA       GLN 688   2.085   1.883   4.571
  285   1HB   GLN 688          2HB       GLN 688   0.762   0.522   5.966
  286   2HB   GLN 688          1HB       GLN 688   2.344   0.598   6.720
  287   1HG   GLN 688          2HG       GLN 688   1.592   1.823   8.502
  288   2HG   GLN 688          1HG       GLN 688   0.233   2.501   7.609
  289   1HE2  GLN 688          1HE2      GLN 688  -0.978   0.320   6.594
  290   2HE2  GLN 688          2HE2      GLN 688  -1.559  -0.692   7.856
  291    H    HIS 689           H        HIS 689   1.191   4.209   7.078
  292    HA   HIS 689           HA       HIS 689  -1.401   4.742   6.044
  293   1HB   HIS 689          2HB       HIS 689   0.379   5.990   8.084
  294   2HB   HIS 689          1HB       HIS 689  -0.977   6.932   7.473
  295    HD1  HIS 689           1HD      HIS 689  -1.464   6.528  10.226
  296    HD2  HIS 689           2HD      HIS 689  -2.202   3.422   7.567
  297    HE1  HIS 689           1HE      HIS 689  -3.046   4.981  11.423
  298    HE2  HIS 689           2HE      HIS 689  -3.415   3.067   9.825
  299    H    LYS 690           H        LYS 690   1.770   6.190   5.566
  300    HA   LYS 690           HA       LYS 690   1.031   8.535   4.257
  301   1HB   LYS 690          2HB       LYS 690   3.367   7.605   5.022
  302   2HB   LYS 690          1HB       LYS 690   3.448   7.007   3.373
  303   1HG   LYS 690          2HG       LYS 690   3.219   9.862   4.285
  304   2HG   LYS 690          1HG       LYS 690   4.565   9.099   3.439
  305   1HD   LYS 690          2HD       LYS 690   1.799   9.544   2.317
  306   2HD   LYS 690          1HD       LYS 690   3.231  10.500   1.938
  307   1HE   LYS 690          2HE       LYS 690   3.643   7.641   1.552
  308   2HE   LYS 690          1HE       LYS 690   2.341   8.287   0.555
  309   1HZ   LYS 690          1HZ       LYS 690   4.045   8.784  -0.804
  310   2HZ   LYS 690          2HZ       LYS 690   5.197   8.800   0.435
  311   3HZ   LYS 690          3HZ       LYS 690   4.201  10.145   0.189
  312    H    ASP 691           H        ASP 691   1.875   5.386   2.824
  313    HA   ASP 691           HA       ASP 691   1.001   6.274   0.208
  314   1HB   ASP 691          2HB       ASP 691   2.372   3.871   1.301
  315   2HB   ASP 691          1HB       ASP 691   1.451   3.666  -0.186
  316    H    TRP 692           H        TRP 692  -0.506   5.044   2.929
  317    HA   TRP 692           HA       TRP 692  -2.283   3.149   2.146
  318   1HB   TRP 692          2HB       TRP 692  -2.155   4.026   4.427
  319   2HB   TRP 692          1HB       TRP 692  -2.885   5.536   3.898
  320    HD1  TRP 692           HD       TRP 692  -5.145   5.481   5.151
  321    HE1  TRP 692           1HE      TRP 692  -7.159   3.876   5.191
  322    HE3  TRP 692           3HE      TRP 692  -3.166   1.600   2.463
  323    HZ2  TRP 692           2HZ      TRP 692  -7.825   1.323   4.211
  324    HZ3  TRP 692           3HZ      TRP 692  -4.560  -0.383   2.060
  325    HH2  TRP 692           HH       TRP 692  -6.842  -0.519   2.918
  326    H    GLU 693           H        GLU 693  -2.647   6.654   1.605
  327    HA   GLU 693           HA       GLU 693  -5.190   6.674   0.545
  328   1HB   GLU 693          2HB       GLU 693  -4.770   8.835   0.162
  329   2HB   GLU 693          1HB       GLU 693  -3.196   8.532   0.883
  330   1HG   GLU 693          2HG       GLU 693  -2.306   8.077  -1.386
  331   2HG   GLU 693          1HG       GLU 693  -3.875   8.527  -2.050
  332    H    LYS 694           H        LYS 694  -2.141   5.949  -1.097
  333    HA   LYS 694           HA       LYS 694  -3.497   5.541  -3.623
  334   1HB   LYS 694          2HB       LYS 694  -0.620   5.353  -2.759
  335   2HB   LYS 694          1HB       LYS 694  -1.151   4.859  -4.361
  336   1HG   LYS 694          2HG       LYS 694  -1.892   7.080  -4.867
  337   2HG   LYS 694          1HG       LYS 694  -1.576   7.608  -3.213
  338   1HD   LYS 694          2HD       LYS 694   0.629   6.444  -4.866
  339   2HD   LYS 694          1HD       LYS 694   0.156   8.130  -5.083
  340   1HE   LYS 694          2HE       LYS 694   1.168   8.754  -3.196
  341   2HE   LYS 694          1HE       LYS 694   0.452   7.426  -2.283
  342   1HZ   LYS 694          1HZ       LYS 694   2.698   6.919  -4.122
  343   2HZ   LYS 694          2HZ       LYS 694   2.212   6.035  -2.764
  344   3HZ   LYS 694          3HZ       LYS 694   2.994   7.522  -2.568
  345    H    HIS 695           H        HIS 695  -1.671   3.585  -1.286
  346    HA   HIS 695           HA       HIS 695  -1.847   1.150  -2.610
  347   1HB   HIS 695          2HB       HIS 695  -0.344   1.533  -0.724
  348   2HB   HIS 695          1HB       HIS 695  -1.723   1.653   0.366
  349    HD1  HIS 695           1HD      HIS 695  -0.594  -0.976  -2.178
  350    HD2  HIS 695           2HD      HIS 695  -1.993  -0.629   1.718
  351    HE1  HIS 695           1HE      HIS 695  -0.744  -3.329  -1.268
  352    H    HIS 696           H        HIS 696  -4.135   2.587  -0.294
  353    HA   HIS 696           HA       HIS 696  -5.720   0.371   0.113
  354   1HB   HIS 696          2HB       HIS 696  -7.431   1.799   0.921
  355   2HB   HIS 696          1HB       HIS 696  -5.891   2.511   1.370
  356    HD1  HIS 696           1HD      HIS 696  -8.213   2.920  -1.642
  357    HD2  HIS 696           2HD      HIS 696  -6.052   5.150   1.111
  358    HE1  HIS 696           1HE      HIS 696  -8.671   5.328  -2.211
  359    HE2  HIS 696           2HE      HIS 696  -7.276   6.655  -0.595
  360    H    HIS 697           H        HIS 697  -5.609   2.398  -2.756
  361    HA   HIS 697           HA       HIS 697  -8.127   1.677  -3.817
  362   1HB   HIS 697          2HB       HIS 697  -5.609   2.188  -5.411
  363   2HB   HIS 697          1HB       HIS 697  -7.269   2.365  -5.960
  364    HD1  HIS 697           1HD      HIS 697  -8.595   4.270  -4.266
  365    HD2  HIS 697           2HD      HIS 697  -4.514   4.583  -4.970
  366    HE1  HIS 697           1HE      HIS 697  -8.013   6.674  -3.802
  367    HE2  HIS 697           2HE      HIS 697  -5.554   6.856  -4.315
  368    H    ILE 698           H        ILE 698  -5.008   0.091  -3.681
  369    HA   ILE 698           HA       ILE 698  -5.855  -2.037  -5.472
  370    HB   ILE 698           HB       ILE 698  -3.280  -2.109  -3.952
  371   1HG1  ILE 698          2HG1      ILE 698  -3.552  -0.603  -6.551
  372   2HG1  ILE 698          1HG1      ILE 698  -3.648   0.211  -4.993
  373   1HG2  ILE 698          1HG2      ILE 698  -3.321  -3.988  -5.199
  374   2HG2  ILE 698          2HG2      ILE 698  -2.713  -2.901  -6.448
  375   3HG2  ILE 698          3HG2      ILE 698  -4.428  -3.307  -6.390
  376   1HD1  ILE 698          1HD1      ILE 698  -1.420   0.371  -5.934
  377   2HD1  ILE 698          2HD1      ILE 698  -1.309  -1.387  -6.004
  378   3HD1  ILE 698          3HD1      ILE 698  -1.405  -0.571  -4.443
  379    H    CYS 699           H        CYS 699  -4.601  -1.807  -2.145
  380    HA   CYS 699           HA       CYS 699  -4.650  -4.293  -1.207
  381   1HB   CYS 699          2HB       CYS 699  -4.344  -2.071   0.055
  382   2HB   CYS 699          1HB       CYS 699  -6.072  -2.170   0.375
  383    H    GLY 700           H        GLY 700  -6.097  -5.709  -0.154
  384   1HA   GLY 700          2HA       GLY 700  -8.074  -6.829   0.169
  385   2HA   GLY 700          1HA       GLY 700  -8.913  -5.319  -0.152
  386    H    GLN 701           H        GLN 701  -6.686  -6.771  -2.425
  387    HA   GLN 701           HA       GLN 701  -8.778  -8.023  -3.969
  388   1HB   GLN 701          2HB       GLN 701  -7.650  -5.372  -4.691
  389   2HB   GLN 701          1HB       GLN 701  -7.861  -6.530  -5.997
  390   1HG   GLN 701          2HG       GLN 701 -10.254  -6.711  -4.726
  391   2HG   GLN 701          1HG       GLN 701  -9.848  -5.013  -4.478
  392   1HE2  GLN 701          1HE2      GLN 701 -10.089  -7.504  -6.970
  393   2HE2  GLN 701          2HE2      GLN 701 -10.553  -6.435  -8.246
  394    H    THR 702           H        THR 702  -7.969  -9.270  -5.740
  395    HA   THR 702           HA       THR 702  -5.244 -10.167  -5.286
  396    HB   THR 702           HB       THR 702  -5.937 -11.905  -7.054
  397    HG1  THR 702           1HG      THR 702  -7.778 -10.558  -7.722
  398   1HG2  THR 702          1HG2      THR 702  -6.536 -11.755  -4.287
  399   2HG2  THR 702          2HG2      THR 702  -6.256 -13.181  -5.285
  400   3HG2  THR 702          3HG2      THR 702  -7.887 -12.530  -5.112
  401    H    LEU 703           H        LEU 703  -3.573  -9.509  -6.454
  402    HA   LEU 703           HA       LEU 703  -4.091  -8.226  -9.050
  403   1HB   LEU 703          2HB       LEU 703  -2.090  -7.755  -6.895
  404   2HB   LEU 703          1HB       LEU 703  -1.610  -7.426  -8.550
  405    HG   LEU 703           HG       LEU 703  -2.373  -5.381  -7.564
  406   1HD1  LEU 703          1HD1      LEU 703  -3.612  -4.697  -9.316
  407   2HD1  LEU 703          2HD1      LEU 703  -4.794  -5.992  -9.126
  408   3HD1  LEU 703          3HD1      LEU 703  -3.256  -6.313  -9.928
  409   1HD2  LEU 703          1HD2      LEU 703  -4.843  -5.273  -6.859
  410   2HD2  LEU 703          2HD2      LEU 703  -3.687  -5.999  -5.742
  411   3HD2  LEU 703          3HD2      LEU 703  -4.731  -7.027  -6.723
  412    H    GLN 704           H        GLN 704  -3.866 -11.097  -8.641
  413    HA   GLN 704           HA       GLN 704  -1.265 -11.884  -9.597
  414   1HB   GLN 704          2HB       GLN 704  -2.976 -13.219  -8.122
  415   2HB   GLN 704          1HB       GLN 704  -3.657 -13.682  -9.674
  416   1HG   GLN 704          2HG       GLN 704  -0.815 -14.021  -9.726
  417   2HG   GLN 704          1HG       GLN 704  -1.494 -14.842  -8.321
  418   1HE2  GLN 704          1HE2      GLN 704  -0.735 -15.171 -11.507
  419   2HE2  GLN 704          2HE2      GLN 704  -1.757 -16.504 -11.911
  420    H    ALA 705           H        ALA 705  -0.700 -12.527 -11.638
  421    HA   ALA 705           HA       ALA 705  -2.545 -12.932 -13.752
  422   1HB   ALA 705          1HB       ALA 705  -0.987 -10.481 -14.324
  423   2HB   ALA 705          2HB       ALA 705  -2.377 -10.317 -13.252
  424   3HB   ALA 705          3HB       ALA 705  -2.589 -10.963 -14.879
  425    H    GLN 706           H        GLN 706  -1.448 -14.612 -14.563
  426    HA   GLN 706           HA       GLN 706   1.332 -14.929 -14.567
  427   1HB   GLN 706          2HB       GLN 706  -0.954 -16.251 -15.931
  428   2HB   GLN 706          1HB       GLN 706   0.648 -16.536 -16.596
  429   1HG   GLN 706          2HG       GLN 706   1.157 -16.981 -14.003
  430   2HG   GLN 706          1HG       GLN 706  -0.544 -17.442 -14.057
  431   1HE2  GLN 706          1HE2      GLN 706  -1.146 -19.279 -15.112
  432   2HE2  GLN 706          2HE2      GLN 706  -0.023 -20.416 -15.768
  433    H    GLN 707           H        GLN 707   2.749 -13.669 -15.572
  434    HA   GLN 707           HA       GLN 707   2.030 -12.237 -17.984
  435   1HB   GLN 707          2HB       GLN 707   3.613 -11.575 -15.898
  436   2HB   GLN 707          1HB       GLN 707   4.827 -12.181 -17.016
  437   1HG   GLN 707          2HG       GLN 707   4.133 -10.595 -18.694
  438   2HG   GLN 707          1HG       GLN 707   2.819 -10.035 -17.660
  439   1HE2  GLN 707          1HE2      GLN 707   6.331 -10.538 -17.490
  440   2HE2  GLN 707          2HE2      GLN 707   6.676  -9.055 -16.674
  Start of MODEL   18
    1    H    THR1101           H        THR1101  -9.353  13.171   5.190
    2    HA   THR1101           HA       THR1101  -8.094  11.266   5.626
    3    HB   THR1101           HB       THR1101 -10.624  11.120   7.274
    4    HG1  THR1101           1HG      THR1101  -9.838  12.866   8.414
    5   1HG2  THR1101          1HG2      THR1101  -8.996   9.473   7.931
    6   2HG2  THR1101          2HG2      THR1101  -9.075  10.752   9.143
    7   3HG2  THR1101          3HG2      THR1101  -7.734  10.704   7.998
    8    H    ILE1102           H        ILE1102  -7.883   9.009   5.830
    9    HA   ILE1102           HA       ILE1102  -9.940   7.484   4.374
   10    HB   ILE1102           HB       ILE1102  -7.056   6.686   4.742
   11   1HG1  ILE1102          2HG1      ILE1102  -7.888   7.551   2.066
   12   2HG1  ILE1102          1HG1      ILE1102  -7.897   8.850   3.254
   13   1HG2  ILE1102          1HG2      ILE1102  -7.602   5.254   2.745
   14   2HG2  ILE1102          2HG2      ILE1102  -9.293   5.683   3.001
   15   3HG2  ILE1102          3HG2      ILE1102  -8.407   4.805   4.248
   16   1HD1  ILE1102          1HD1      ILE1102  -5.548   7.047   2.738
   17   2HD1  ILE1102          2HD1      ILE1102  -5.586   8.490   3.752
   18   3HD1  ILE1102          3HD1      ILE1102  -5.774   8.634   2.004
   19    H    SER1103           H        SER1103 -10.233   5.227   5.023
   20    HA   SER1103           HA       SER1103 -10.786   4.960   7.751
   21   1HB   SER1103          2HB       SER1103 -11.907   3.646   5.977
   22   2HB   SER1103          1HB       SER1103 -10.411   2.747   5.719
   23    HG   SER1103           HG       SER1103 -11.929   2.834   8.117
   24    H    ASN1104           H        ASN1104  -9.907   2.540   8.623
   25    HA   ASN1104           HA       ASN1104  -7.059   3.072   9.074
   26   1HB   ASN1104          2HB       ASN1104  -9.201   1.729  10.676
   27   2HB   ASN1104          1HB       ASN1104  -7.516   1.308  10.966
   28   1HD2  ASN1104          1HD2      ASN1104  -9.568   4.173  10.561
   29   2HD2  ASN1104          2HD2      ASN1104  -8.809   5.102  11.803
   30    HA   PRO1105           HA       PRO1105  -6.386  -0.485   6.381
   31   1HB   PRO1105          2HB       PRO1105  -3.664  -0.386   6.480
   32   2HB   PRO1105          1HB       PRO1105  -4.635   0.653   5.432
   33   1HG   PRO1105          2HG       PRO1105  -3.412   1.259   8.096
   34   2HG   PRO1105          1HG       PRO1105  -3.468   2.265   6.637
   35   1HD   PRO1105          2HD       PRO1105  -5.149   2.650   8.709
   36   2HD   PRO1105          1HD       PRO1105  -5.645   2.933   7.028
   37    HA   PRO1106           HA       PRO1106  -5.902  -3.835   9.221
   38   1HB   PRO1106          2HB       PRO1106  -4.187  -5.074   7.125
   39   2HB   PRO1106          1HB       PRO1106  -5.608  -5.727   7.947
   40   1HG   PRO1106          2HG       PRO1106  -5.776  -4.867   5.436
   41   2HG   PRO1106          1HG       PRO1106  -7.091  -4.568   6.588
   42   1HD   PRO1106          2HD       PRO1106  -4.999  -2.695   5.566
   43   2HD   PRO1106          1HD       PRO1106  -6.707  -2.386   5.941
   44    HA   PRO1107           HA       PRO1107  -1.963  -3.580  11.194
   45   1HB   PRO1107          2HB       PRO1107  -1.493  -6.097  12.073
   46   2HB   PRO1107          1HB       PRO1107  -2.742  -5.060  12.773
   47   1HG   PRO1107          2HG       PRO1107  -3.013  -7.257  10.757
   48   2HG   PRO1107          1HG       PRO1107  -4.029  -6.900  12.165
   49   1HD   PRO1107          2HD       PRO1107  -4.717  -6.188   9.641
   50   2HD   PRO1107          1HD       PRO1107  -5.187  -5.242  11.068
   51    H    LEU1108           H        LEU1108   0.286  -4.129  11.106
   52    HA   LEU1108           HA       LEU1108   1.074  -5.162   8.484
   53   1HB   LEU1108          2HB       LEU1108   2.575  -3.588  10.575
   54   2HB   LEU1108          1HB       LEU1108   3.317  -4.205   9.112
   55    HG   LEU1108           HG       LEU1108   0.987  -2.290   9.112
   56   1HD1  LEU1108          1HD1      LEU1108   2.363  -0.521   9.229
   57   2HD1  LEU1108          2HD1      LEU1108   3.636  -1.318   8.304
   58   3HD1  LEU1108          3HD1      LEU1108   3.457  -1.650  10.027
   59   1HD2  LEU1108          1HD2      LEU1108   0.953  -3.200   7.019
   60   2HD2  LEU1108          2HD2      LEU1108   2.677  -3.577   7.034
   61   3HD2  LEU1108          3HD2      LEU1108   2.138  -1.918   6.765
   62    H    ILE1109           H        ILE1109   2.585  -6.809   8.217
   63    HA   ILE1109           HA       ILE1109   3.088  -8.438  10.621
   64    HB   ILE1109           HB       ILE1109   3.401 -10.277   8.724
   65   1HG1  ILE1109          2HG1      ILE1109   1.192  -8.589   7.555
   66   2HG1  ILE1109          1HG1      ILE1109   2.847  -8.524   6.963
   67   1HG2  ILE1109          1HG2      ILE1109   1.720  -9.997  10.714
   68   2HG2  ILE1109          2HG2      ILE1109   1.418 -11.184   9.446
   69   3HG2  ILE1109          3HG2      ILE1109   0.575  -9.635   9.421
   70   1HD1  ILE1109          1HD1      ILE1109   0.954 -10.141   5.962
   71   2HD1  ILE1109          2HD1      ILE1109   1.683 -11.212   7.159
   72   3HD1  ILE1109          3HD1      ILE1109   2.681 -10.491   5.896
   73    H    SER1110           H        SER1110   5.145  -8.641  11.198
   74    HA   SER1110           HA       SER1110   7.237  -7.743   9.399
   75   1HB   SER1110          2HB       SER1110   8.605  -8.488  11.584
   76   2HB   SER1110          1HB       SER1110   7.780  -6.933  11.467
   77    HG   SER1110           HG       SER1110   6.663  -9.290  12.588
   78    H    SER1111           H        SER1111   8.590  -9.014   8.295
   79    HA   SER1111           HA       SER1111   8.612 -11.893   8.922
   80   1HB   SER1111          2HB       SER1111   8.728 -12.405   6.561
   81   2HB   SER1111          1HB       SER1111   7.337 -11.357   6.837
   82    HG   SER1111           HG       SER1111   9.220 -10.953   5.120
   83    H    ALA1112           H        ALA1112  10.538 -12.383   9.732
   84    HA   ALA1112           HA       ALA1112  12.929 -11.778   8.235
   85   1HB   ALA1112          1HB       ALA1112  12.896  -9.751   9.448
   86   2HB   ALA1112          2HB       ALA1112  14.071 -10.785  10.262
   87   3HB   ALA1112          3HB       ALA1112  12.460 -10.570  10.950
   88    H    LYS1113           H        LYS1113  12.686 -14.136   8.164
   89    HA   LYS1113           HA       LYS1113  13.234 -15.562  10.641
   90   1HB   LYS1113          2HB       LYS1113  12.716 -16.522   7.823
   91   2HB   LYS1113          1HB       LYS1113  13.045 -17.593   9.178
   92   1HG   LYS1113          2HG       LYS1113  11.042 -16.919  10.289
   93   2HG   LYS1113          1HG       LYS1113  10.753 -15.646   9.101
   94   1HD   LYS1113          2HD       LYS1113  11.012 -18.446   8.131
   95   2HD   LYS1113          1HD       LYS1113   9.523 -17.984   8.958
   96   1HE   LYS1113          2HE       LYS1113   9.128 -17.608   6.663
   97   2HE   LYS1113          1HE       LYS1113   9.409 -16.017   7.370
   98   1HZ   LYS1113          1HZ       LYS1113  10.602 -16.791   5.170
   99   2HZ   LYS1113          2HZ       LYS1113  11.714 -17.438   6.269
  100   3HZ   LYS1113          3HZ       LYS1113  11.374 -15.781   6.287
  101    H    ASP 658           H        ASP 658  10.078  -7.118 -10.043
  102    HA   ASP 658           HA       ASP 658   8.435  -6.494  -7.710
  103   1HB   ASP 658          2HB       ASP 658   9.931  -9.036  -8.385
  104   2HB   ASP 658          1HB       ASP 658   8.771  -8.827  -7.076
  105    H    SER 659           H        SER 659   9.877  -4.799  -6.974
  106    HA   SER 659           HA       SER 659  12.570  -5.200  -6.311
  107   1HB   SER 659          2HB       SER 659  10.468  -3.234  -5.549
  108   2HB   SER 659          1HB       SER 659  11.905  -3.318  -4.530
  109    HG   SER 659           HG       SER 659  13.055  -2.461  -6.079
  110    H    SER 660           H        SER 660  13.402  -6.591  -4.914
  111    HA   SER 660           HA       SER 660  11.795  -7.792  -2.849
  112   1HB   SER 660          2HB       SER 660  14.623  -8.158  -3.801
  113   2HB   SER 660          1HB       SER 660  14.077  -8.902  -2.297
  114    HG   SER 660           HG       SER 660  13.399  -9.485  -4.927
  115    H    GLU 661           H        GLU 661  11.536  -7.018  -0.870
  116    HA   GLU 661           HA       GLU 661  11.845  -5.859   1.062
  117   1HB   GLU 661          2HB       GLU 661  14.595  -6.635   0.259
  118   2HB   GLU 661          1HB       GLU 661  14.453  -5.393   1.494
  119   1HG   GLU 661          2HG       GLU 661  13.058  -6.910   2.831
  120   2HG   GLU 661          1HG       GLU 661  13.270  -8.158   1.605
  121    H    SER 662           H        SER 662  10.865  -3.942   0.499
  122    HA   SER 662           HA       SER 662  12.477  -1.626   0.482
  123   1HB   SER 662          2HB       SER 662  11.391  -0.944  -1.884
  124   2HB   SER 662          1HB       SER 662  12.990  -1.672  -1.735
  125    HG   SER 662           HG       SER 662  12.159  -3.624  -2.314
  126    H    CYS 663           H        CYS 663  11.328   0.025   1.281
  127    HA   CYS 663           HA       CYS 663   8.614  -0.345   2.010
  128   1HB   CYS 663          2HB       CYS 663  10.469   1.055   3.151
  129   2HB   CYS 663          1HB       CYS 663  10.014   2.309   2.008
  130    H    TRP 664           H        TRP 664   6.817   0.099   0.912
  131    HA   TRP 664           HA       TRP 664   6.855   1.025  -1.744
  132   1HB   TRP 664          2HB       TRP 664   4.618   0.653   0.243
  133   2HB   TRP 664          1HB       TRP 664   4.329   1.206  -1.403
  134    HD1  TRP 664           HD       TRP 664   6.896  -1.529  -0.586
  135    HE1  TRP 664           1HE      TRP 664   6.110  -3.733  -1.662
  136    HE3  TRP 664           3HE      TRP 664   2.283  -0.041  -2.246
  137    HZ2  TRP 664           2HZ      TRP 664   3.848  -4.711  -3.026
  138    HZ3  TRP 664           3HZ      TRP 664   0.877  -1.679  -3.425
  139    HH2  TRP 664           HH       TRP 664   1.642  -3.961  -3.806
  140    H    ASN 665           H        ASN 665   6.768   2.715   1.249
  141    HA   ASN 665           HA       ASN 665   5.860   5.189  -0.041
  142   1HB   ASN 665          2HB       ASN 665   4.638   4.940   1.921
  143   2HB   ASN 665          1HB       ASN 665   5.995   4.246   2.800
  144   1HD2  ASN 665          1HD2      ASN 665   6.848   5.512   4.270
  145   2HD2  ASN 665          2HD2      ASN 665   6.843   7.239   4.263
  146    H    CYS 666           H        CYS 666   8.331   4.301   2.383
  147    HA   CYS 666           HA       CYS 666   9.881   6.581   2.153
  148   1HB   CYS 666          2HB       CYS 666  10.592   3.765   2.942
  149   2HB   CYS 666          1HB       CYS 666  11.782   5.060   2.964
  150    H    GLY 667           H        GLY 667  10.663   3.419   0.636
  151   1HA   GLY 667          2HA       GLY 667  11.260   3.247  -1.676
  152   2HA   GLY 667          1HA       GLY 667  11.789   4.922  -1.626
  153    H    ARG 668           H        ARG 668  12.664   2.849   0.995
  154    HA   ARG 668           HA       ARG 668  15.375   2.572  -0.121
  155   1HB   ARG 668          2HB       ARG 668  14.485   3.834   2.370
  156   2HB   ARG 668          1HB       ARG 668  15.766   2.652   2.603
  157   1HG   ARG 668          2HG       ARG 668  17.167   3.822   1.002
  158   2HG   ARG 668          1HG       ARG 668  15.874   4.984   0.701
  159   1HD   ARG 668          2HD       ARG 668  16.550   4.689   3.528
  160   2HD   ARG 668          1HD       ARG 668  17.889   5.272   2.539
  161    HE   ARG 668           HE       ARG 668  15.831   6.835   1.756
  162   1HH1  ARG 668          1HH1      ARG 668  17.143   6.027   4.887
  163   2HH1  ARG 668          2HH1      ARG 668  16.700   7.540   5.602
  164   1HH2  ARG 668          1HH2      ARG 668  15.248   8.826   2.695
  165   2HH2  ARG 668          2HH2      ARG 668  15.623   9.129   4.358
  166    H    LYS 669           H        LYS 669  13.529   1.445   2.723
  167    HA   LYS 669           HA       LYS 669  13.721  -1.293   1.866
  168   1HB   LYS 669          2HB       LYS 669  15.114  -2.142   3.579
  169   2HB   LYS 669          1HB       LYS 669  15.970  -0.763   2.906
  170   1HG   LYS 669          2HG       LYS 669  16.268  -0.402   5.141
  171   2HG   LYS 669          1HG       LYS 669  14.796   0.530   4.857
  172   1HD   LYS 669          2HD       LYS 669  13.887  -0.652   6.521
  173   2HD   LYS 669          1HD       LYS 669  13.857  -2.012   5.396
  174   1HE   LYS 669          2HE       LYS 669  16.359  -1.469   6.916
  175   2HE   LYS 669          1HE       LYS 669  15.002  -2.211   7.762
  176   1HZ   LYS 669          1HZ       LYS 669  16.826  -3.599   6.427
  177   2HZ   LYS 669          2HZ       LYS 669  15.695  -3.373   5.191
  178   3HZ   LYS 669          3HZ       LYS 669  15.232  -4.128   6.632
  179    H    ALA 670           H        ALA 670  12.469  -2.727   3.139
  180    HA   ALA 670           HA       ALA 670  10.848  -1.546   5.269
  181   1HB   ALA 670          1HB       ALA 670   8.900  -2.898   4.022
  182   2HB   ALA 670          2HB       ALA 670   9.860  -2.415   2.624
  183   3HB   ALA 670          3HB       ALA 670   9.231  -1.191   3.726
  184    H    SER 671           H        SER 671  10.141  -2.995   6.808
  185    HA   SER 671           HA       SER 671  11.027  -5.784   6.455
  186   1HB   SER 671          2HB       SER 671  11.991  -3.972   8.300
  187   2HB   SER 671          1HB       SER 671  10.803  -4.886   9.230
  188    HG   SER 671           HG       SER 671  12.094  -6.539   9.201
  189    H    GLU 672           H        GLU 672   8.332  -3.845   6.819
  190    HA   GLU 672           HA       GLU 672   6.821  -5.996   8.145
  191   1HB   GLU 672          2HB       GLU 672   5.685  -3.256   7.716
  192   2HB   GLU 672          1HB       GLU 672   5.292  -4.440   8.951
  193   1HG   GLU 672          2HG       GLU 672   8.040  -3.392   9.038
  194   2HG   GLU 672          1HG       GLU 672   6.763  -2.229   9.385
  195    H    THR 673           H        THR 673   4.697  -6.485   7.309
  196    HA   THR 673           HA       THR 673   4.367  -5.837   4.461
  197    HB   THR 673           HB       THR 673   4.163  -8.575   5.732
  198    HG1  THR 673           1HG      THR 673   6.271  -7.755   5.117
  199   1HG2  THR 673          1HG2      THR 673   2.728  -7.636   3.504
  200   2HG2  THR 673          2HG2      THR 673   2.906  -9.299   4.066
  201   3HG2  THR 673          3HG2      THR 673   4.037  -8.641   2.883
  202    H    CYS 674           H        CYS 674   2.316  -5.518   3.753
  203    HA   CYS 674           HA       CYS 674   0.307  -4.935   5.674
  204   1HB   CYS 674          2HB       CYS 674   0.417  -3.685   3.604
  205   2HB   CYS 674          1HB       CYS 674   0.207  -5.153   2.658
  206    H    SER 675           H        SER 675  -0.607  -6.540   6.802
  207    HA   SER 675           HA       SER 675  -0.908  -9.191   5.877
  208   1HB   SER 675          2HB       SER 675  -1.935  -9.651   7.948
  209   2HB   SER 675          1HB       SER 675  -0.796  -8.350   8.296
  210    HG   SER 675           HG       SER 675  -2.614  -6.898   8.040
  211    H    GLY 676           H        GLY 676  -2.705  -6.445   5.110
  212   1HA   GLY 676          2HA       GLY 676  -5.291  -7.684   4.925
  213   2HA   GLY 676          1HA       GLY 676  -4.831  -6.123   4.261
  214    H    CYS 677           H        CYS 677  -2.826  -6.739   2.534
  215    HA   CYS 677           HA       CYS 677  -4.188  -8.478   0.590
  216   1HB   CYS 677          2HB       CYS 677  -2.974  -7.160  -1.144
  217   2HB   CYS 677          1HB       CYS 677  -4.098  -6.198  -0.189
  218    H    ASN 678           H        ASN 678  -1.442  -8.209   2.543
  219    HA   ASN 678           HA       ASN 678   0.474  -9.410   2.739
  220   1HB   ASN 678          2HB       ASN 678  -1.402 -11.209   1.355
  221   2HB   ASN 678          1HB       ASN 678   0.296 -11.627   1.149
  222   1HD2  ASN 678          1HD2      ASN 678   0.652 -13.275   2.457
  223   2HD2  ASN 678          2HD2      ASN 678   0.253 -13.333   4.138
  224    H    THR 679           H        THR 679   0.063  -7.460   0.477
  225    HA   THR 679           HA       THR 679   2.252  -8.427  -1.239
  226    HB   THR 679           HB       THR 679  -0.077  -6.657  -1.989
  227    HG1  THR 679           1HG      THR 679  -0.928  -8.529  -2.367
  228   1HG2  THR 679          1HG2      THR 679   2.489  -6.988  -3.271
  229   2HG2  THR 679          2HG2      THR 679   1.174  -5.871  -3.637
  230   3HG2  THR 679          3HG2      THR 679   1.160  -7.500  -4.312
  231    H    ALA 680           H        ALA 680   0.818  -5.647   0.363
  232    HA   ALA 680           HA       ALA 680   2.824  -3.797  -0.471
  233   1HB   ALA 680          1HB       ALA 680   1.584  -2.868   1.895
  234   2HB   ALA 680          2HB       ALA 680   0.354  -3.695   0.938
  235   3HB   ALA 680          3HB       ALA 680   1.280  -2.372   0.229
  236    H    ARG 681           H        ARG 681   4.375  -2.747   0.873
  237    HA   ARG 681           HA       ARG 681   5.184  -4.204   3.286
  238   1HB   ARG 681          2HB       ARG 681   6.958  -3.566   0.925
  239   2HB   ARG 681          1HB       ARG 681   7.576  -4.024   2.507
  240   1HG   ARG 681          2HG       ARG 681   5.579  -5.827   1.281
  241   2HG   ARG 681          1HG       ARG 681   7.181  -5.776   0.543
  242   1HD   ARG 681          2HD       ARG 681   6.752  -6.166   3.494
  243   2HD   ARG 681          1HD       ARG 681   6.832  -7.509   2.356
  244    HE   ARG 681           HE       ARG 681   9.072  -5.713   2.193
  245   1HH1  ARG 681          1HH1      ARG 681   7.765  -8.520   3.803
  246   2HH1  ARG 681          2HH1      ARG 681   9.317  -9.132   4.266
  247   1HH2  ARG 681          1HH2      ARG 681  11.113  -6.515   2.801
  248   2HH2  ARG 681          2HH2      ARG 681  11.219  -7.993   3.697
  249    H    TYR 682           H        TYR 682   6.117  -2.938   4.865
  250    HA   TYR 682           HA       TYR 682   6.913  -0.216   4.274
  251   1HB   TYR 682          2HB       TYR 682   4.558  -0.834   6.068
  252   2HB   TYR 682          1HB       TYR 682   5.381   0.723   6.026
  253    HD1  TYR 682           1HD      TYR 682   2.875  -1.346   4.509
  254    HD2  TYR 682           2HD      TYR 682   5.398   2.014   3.838
  255    HE1  TYR 682           1HE      TYR 682   1.431  -0.640   2.645
  256    HE2  TYR 682           2HE      TYR 682   3.962   2.729   1.975
  257    HH   TYR 682           HH       TYR 682   2.341   1.632   0.373
  258    H    CYS 683           H        CYS 683   8.191   0.717   5.913
  259    HA   CYS 683           HA       CYS 683   9.300  -1.248   7.754
  260   1HB   CYS 683          2HB       CYS 683  11.176   0.246   8.002
  261   2HB   CYS 683          1HB       CYS 683  10.812   0.079   6.289
  262    H    GLY 684           H        GLY 684   7.168   1.449   7.808
  263   1HA   GLY 684          2HA       GLY 684   6.988   1.205  10.706
  264   2HA   GLY 684          1HA       GLY 684   7.430   2.789  10.089
  265    H    SER 685           H        SER 685   5.068   1.983  11.604
  266    HA   SER 685           HA       SER 685   2.751   1.656  10.175
  267   1HB   SER 685          2HB       SER 685   1.746   3.199  12.041
  268   2HB   SER 685          1HB       SER 685   2.443   1.638  12.476
  269    HG   SER 685           HG       SER 685   3.776   4.142  12.599
  270    H    PHE 686           H        PHE 686   4.664   4.577  10.529
  271    HA   PHE 686           HA       PHE 686   2.754   6.385   9.482
  272   1HB   PHE 686          2HB       PHE 686   4.628   7.239  10.732
  273   2HB   PHE 686          1HB       PHE 686   5.773   6.505   9.616
  274    HD1  PHE 686           1HD      PHE 686   6.008   7.415   7.320
  275    HD2  PHE 686           2HD      PHE 686   3.662   9.353  10.295
  276    HE1  PHE 686           1HE      PHE 686   6.060   9.491   6.000
  277    HE2  PHE 686           2HE      PHE 686   3.708  11.433   8.980
  278    HZ   PHE 686           HZ       PHE 686   4.907  11.503   6.830
  279    H    CYS 687           H        CYS 687   5.300   4.434   8.014
  280    HA   CYS 687           HA       CYS 687   5.156   5.510   5.428
  281   1HB   CYS 687          2HB       CYS 687   5.884   2.665   6.115
  282   2HB   CYS 687          1HB       CYS 687   6.420   3.605   4.725
  283    H    GLN 688           H        GLN 688   3.486   2.718   6.857
  284    HA   GLN 688           HA       GLN 688   2.179   1.935   4.491
  285   1HB   GLN 688          2HB       GLN 688   0.794   0.545   5.842
  286   2HB   GLN 688          1HB       GLN 688   2.412   0.515   6.522
  287   1HG   GLN 688          2HG       GLN 688   1.656   1.180   8.486
  288   2HG   GLN 688          1HG       GLN 688   0.880   2.586   7.769
  289   1HE2  GLN 688          1HE2      GLN 688   0.177  -0.786   7.077
  290   2HE2  GLN 688          2HE2      GLN 688  -1.438  -0.761   7.679
  291    H    HIS 689           H        HIS 689   1.275   4.215   7.031
  292    HA   HIS 689           HA       HIS 689  -1.343   4.708   6.039
  293   1HB   HIS 689          2HB       HIS 689   0.440   5.920   8.080
  294   2HB   HIS 689          1HB       HIS 689  -0.855   6.934   7.448
  295    HD1  HIS 689           1HD      HIS 689  -1.562   6.650  10.108
  296    HD2  HIS 689           2HD      HIS 689  -2.108   3.389   7.591
  297    HE1  HIS 689           1HE      HIS 689  -3.206   5.157  11.290
  298    HE2  HIS 689           2HE      HIS 689  -3.451   3.147   9.791
  299    H    LYS 690           H        LYS 690   1.803   6.188   5.518
  300    HA   LYS 690           HA       LYS 690   1.020   8.512   4.193
  301   1HB   LYS 690          2HB       LYS 690   3.377   7.628   4.952
  302   2HB   LYS 690          1HB       LYS 690   3.454   7.008   3.310
  303   1HG   LYS 690          2HG       LYS 690   3.189   9.873   4.185
  304   2HG   LYS 690          1HG       LYS 690   4.539   9.118   3.338
  305   1HD   LYS 690          2HD       LYS 690   1.758   9.505   2.234
  306   2HD   LYS 690          1HD       LYS 690   3.172  10.476   1.828
  307   1HE   LYS 690          2HE       LYS 690   3.635   7.624   1.479
  308   2HE   LYS 690          1HE       LYS 690   2.301   8.220   0.494
  309   1HZ   LYS 690          1HZ       LYS 690   3.666   9.533  -0.729
  310   2HZ   LYS 690          2HZ       LYS 690   4.783   8.329  -0.326
  311   3HZ   LYS 690          3HZ       LYS 690   4.768   9.788   0.529
  312    H    ASP 691           H        ASP 691   1.898   5.355   2.815
  313    HA   ASP 691           HA       ASP 691   0.992   6.172   0.189
  314   1HB   ASP 691          2HB       ASP 691   2.415   3.818   1.324
  315   2HB   ASP 691          1HB       ASP 691   1.487   3.565  -0.152
  316    H    TRP 692           H        TRP 692  -0.451   4.910   2.953
  317    HA   TRP 692           HA       TRP 692  -2.214   2.994   2.173
  318   1HB   TRP 692          2HB       TRP 692  -2.073   3.829   4.467
  319   2HB   TRP 692          1HB       TRP 692  -2.812   5.349   3.974
  320    HD1  TRP 692           HD       TRP 692  -5.082   5.293   5.194
  321    HE1  TRP 692           1HE      TRP 692  -7.086   3.673   5.241
  322    HE3  TRP 692           3HE      TRP 692  -3.065   1.404   2.548
  323    HZ2  TRP 692           2HZ      TRP 692  -7.727   1.105   4.283
  324    HZ3  TRP 692           3HZ      TRP 692  -4.443  -0.592   2.157
  325    HH2  TRP 692           HH       TRP 692  -6.725  -0.738   3.008
  326    H    GLU 693           H        GLU 693  -2.598   6.495   1.663
  327    HA   GLU 693           HA       GLU 693  -5.161   6.548   0.685
  328   1HB   GLU 693          2HB       GLU 693  -4.727   8.703   0.302
  329   2HB   GLU 693          1HB       GLU 693  -3.132   8.373   0.961
  330   1HG   GLU 693          2HG       GLU 693  -2.299   7.962  -1.314
  331   2HG   GLU 693          1HG       GLU 693  -3.899   8.343  -1.952
  332    H    LYS 694           H        LYS 694  -2.182   5.994  -1.214
  333    HA   LYS 694           HA       LYS 694  -3.768   5.525  -3.579
  334   1HB   LYS 694          2HB       LYS 694  -1.572   5.169  -4.684
  335   2HB   LYS 694          1HB       LYS 694  -1.728   6.729  -3.890
  336   1HG   LYS 694          2HG       LYS 694  -0.567   4.659  -2.195
  337   2HG   LYS 694          1HG       LYS 694   0.382   5.026  -3.634
  338   1HD   LYS 694          2HD       LYS 694  -0.595   7.023  -1.596
  339   2HD   LYS 694          1HD       LYS 694   1.057   6.423  -1.747
  340   1HE   LYS 694          2HE       LYS 694   0.099   7.431  -4.271
  341   2HE   LYS 694          1HE       LYS 694  -0.068   8.650  -3.008
  342   1HZ   LYS 694          1HZ       LYS 694   2.168   8.782  -2.706
  343   2HZ   LYS 694          2HZ       LYS 694   2.153   8.368  -4.345
  344   3HZ   LYS 694          3HZ       LYS 694   2.459   7.183  -3.178
  345    H    HIS 695           H        HIS 695  -1.890   3.631  -1.260
  346    HA   HIS 695           HA       HIS 695  -1.918   1.226  -2.729
  347   1HB   HIS 695          2HB       HIS 695  -0.331   1.550  -0.935
  348   2HB   HIS 695          1HB       HIS 695  -1.634   1.720   0.238
  349    HD1  HIS 695           1HD      HIS 695  -0.549  -0.975  -2.253
  350    HD2  HIS 695           2HD      HIS 695  -2.027  -0.539   1.603
  351    HE1  HIS 695           1HE      HIS 695  -0.727  -3.307  -1.296
  352    H    HIS 696           H        HIS 696  -4.147   2.527  -0.288
  353    HA   HIS 696           HA       HIS 696  -5.644   0.253   0.139
  354   1HB   HIS 696          2HB       HIS 696  -7.377   1.620   1.030
  355   2HB   HIS 696          1HB       HIS 696  -5.835   2.336   1.466
  356    HD1  HIS 696           1HD      HIS 696  -8.241   2.821  -1.466
  357    HD2  HIS 696           2HD      HIS 696  -6.031   4.983   1.301
  358    HE1  HIS 696           1HE      HIS 696  -8.749   5.240  -1.934
  359    HE2  HIS 696           2HE      HIS 696  -7.305   6.528  -0.330
  360    H    HIS 697           H        HIS 697  -5.705   2.338  -2.686
  361    HA   HIS 697           HA       HIS 697  -8.242   1.564  -3.665
  362   1HB   HIS 697          2HB       HIS 697  -5.812   2.161  -5.363
  363   2HB   HIS 697          1HB       HIS 697  -7.501   2.334  -5.816
  364    HD1  HIS 697           1HD      HIS 697  -8.755   4.187  -4.021
  365    HD2  HIS 697           2HD      HIS 697  -4.710   4.550  -4.895
  366    HE1  HIS 697           1HE      HIS 697  -8.167   6.581  -3.517
  367    HE2  HIS 697           2HE      HIS 697  -5.701   6.757  -3.985
  368    H    ILE 698           H        ILE 698  -5.076   0.070  -3.668
  369    HA   ILE 698           HA       ILE 698  -5.891  -2.042  -5.484
  370    HB   ILE 698           HB       ILE 698  -3.326  -2.104  -3.940
  371   1HG1  ILE 698          2HG1      ILE 698  -3.599  -0.571  -6.523
  372   2HG1  ILE 698          1HG1      ILE 698  -3.716   0.222  -4.957
  373   1HG2  ILE 698          1HG2      ILE 698  -3.491  -2.742  -6.815
  374   2HG2  ILE 698          2HG2      ILE 698  -4.367  -3.811  -5.719
  375   3HG2  ILE 698          3HG2      ILE 698  -2.633  -3.565  -5.513
  376   1HD1  ILE 698          1HD1      ILE 698  -1.473   0.360  -5.985
  377   2HD1  ILE 698          2HD1      ILE 698  -1.349  -1.395  -5.862
  378   3HD1  ILE 698          3HD1      ILE 698  -1.474  -0.415  -4.401
  379    H    CYS 699           H        CYS 699  -4.637  -1.875  -2.154
  380    HA   CYS 699           HA       CYS 699  -4.687  -4.386  -1.275
  381   1HB   CYS 699          2HB       CYS 699  -4.378  -2.162   0.020
  382   2HB   CYS 699          1HB       CYS 699  -6.090  -2.325   0.394
  383    H    GLY 700           H        GLY 700  -6.145  -5.789  -0.191
  384   1HA   GLY 700          2HA       GLY 700  -8.114  -6.927   0.087
  385   2HA   GLY 700          1HA       GLY 700  -8.946  -5.395  -0.135
  386    H    GLN 701           H        GLN 701  -6.827  -6.407  -2.654
  387    HA   GLN 701           HA       GLN 701  -7.197  -6.972  -4.826
  388   1HB   GLN 701          2HB       GLN 701  -8.634  -8.848  -3.194
  389   2HB   GLN 701          1HB       GLN 701  -9.520  -8.580  -4.689
  390   1HG   GLN 701          2HG       GLN 701  -7.038  -8.885  -5.669
  391   2HG   GLN 701          1HG       GLN 701  -6.926  -9.891  -4.226
  392   1HE2  GLN 701          1HE2      GLN 701  -6.718 -10.937  -6.775
  393   2HE2  GLN 701          2HE2      GLN 701  -8.089 -11.940  -7.090
  394    H    THR 702           H        THR 702  -8.534  -4.602  -3.761
  395    HA   THR 702           HA       THR 702 -11.153  -4.420  -4.863
  396    HB   THR 702           HB       THR 702  -9.287  -2.124  -4.261
  397    HG1  THR 702           1HG      THR 702 -10.205  -2.215  -2.159
  398   1HG2  THR 702          1HG2      THR 702 -12.051  -1.823  -3.492
  399   2HG2  THR 702          2HG2      THR 702 -11.880  -2.117  -5.223
  400   3HG2  THR 702          3HG2      THR 702 -11.025  -0.771  -4.467
  401    H    LEU 703           H        LEU 703  -7.927  -3.705  -6.050
  402    HA   LEU 703           HA       LEU 703  -9.030  -3.430  -8.743
  403   1HB   LEU 703          2HB       LEU 703  -7.392  -1.382  -7.296
  404   2HB   LEU 703          1HB       LEU 703  -7.255  -1.537  -9.037
  405    HG   LEU 703           HG       LEU 703  -9.941  -1.171  -7.756
  406   1HD1  LEU 703          1HD1      LEU 703  -8.575   1.226  -8.788
  407   2HD1  LEU 703          2HD1      LEU 703  -7.997   0.616  -7.238
  408   3HD1  LEU 703          3HD1      LEU 703  -9.696   1.045  -7.437
  409   1HD2  LEU 703          1HD2      LEU 703 -10.218   0.053 -10.011
  410   2HD2  LEU 703          2HD2      LEU 703 -10.176  -1.710 -10.001
  411   3HD2  LEU 703          3HD2      LEU 703  -8.743  -0.797 -10.474
  412    H    GLN 704           H        GLN 704  -7.751  -4.263 -10.330
  413    HA   GLN 704           HA       GLN 704  -5.209  -5.465  -9.451
  414   1HB   GLN 704          2HB       GLN 704  -7.255  -6.875 -10.308
  415   2HB   GLN 704          1HB       GLN 704  -6.673  -6.387 -11.893
  416   1HG   GLN 704          2HG       GLN 704  -4.408  -7.270 -10.535
  417   2HG   GLN 704          1HG       GLN 704  -5.678  -8.418 -10.111
  418   1HE2  GLN 704          1HE2      GLN 704  -7.050  -9.070 -12.077
  419   2HE2  GLN 704          2HE2      GLN 704  -6.161  -9.490 -13.498
  420    H    ALA 705           H        ALA 705  -6.789  -3.571 -11.941
  421    HA   ALA 705           HA       ALA 705  -4.597  -3.485 -13.744
  422   1HB   ALA 705          1HB       ALA 705  -6.461  -1.202 -13.726
  423   2HB   ALA 705          2HB       ALA 705  -7.190  -2.793 -13.941
  424   3HB   ALA 705          3HB       ALA 705  -5.943  -2.237 -15.056
  425    H    GLN 706           H        GLN 706  -3.580  -1.319 -14.351
  426    HA   GLN 706           HA       GLN 706  -2.893   0.209 -11.931
  427   1HB   GLN 706          2HB       GLN 706  -1.160  -1.392 -13.613
  428   2HB   GLN 706          1HB       GLN 706  -0.630   0.284 -13.575
  429   1HG   GLN 706          2HG       GLN 706  -1.259  -1.212 -11.058
  430   2HG   GLN 706          1HG       GLN 706   0.319  -1.329 -11.836
  431   1HE2  GLN 706          1HE2      GLN 706  -1.370   0.235  -9.514
  432   2HE2  GLN 706          2HE2      GLN 706  -0.450   1.693  -9.407
  433    H    GLN 707           H        GLN 707  -4.793   0.777 -14.078
  434    HA   GLN 707           HA       GLN 707  -3.517   3.156 -15.259
  435   1HB   GLN 707          2HB       GLN 707  -4.408   1.353 -16.821
  436   2HB   GLN 707          1HB       GLN 707  -6.017   1.814 -16.281
  437   1HG   GLN 707          2HG       GLN 707  -5.704   4.051 -17.130
  438   2HG   GLN 707          1HG       GLN 707  -4.041   3.678 -17.577
  439   1HE2  GLN 707          1HE2      GLN 707  -3.708   3.116 -19.602
  440   2HE2  GLN 707          2HE2      GLN 707  -4.893   2.493 -20.693
  Start of MODEL   19
    1    H    THR1101           H        THR1101  -9.083  13.350   6.471
    2    HA   THR1101           HA       THR1101  -7.793  11.359   6.578
    3    HB   THR1101           HB       THR1101  -9.086  10.456   8.691
    4    HG1  THR1101           1HG      THR1101 -10.453  12.886   8.182
    5   1HG2  THR1101          1HG2      THR1101  -7.131  11.991   8.742
    6   2HG2  THR1101          2HG2      THR1101  -8.299  12.251  10.038
    7   3HG2  THR1101          3HG2      THR1101  -8.258  13.344   8.655
    8    H    ILE1102           H        ILE1102  -7.557   9.386   5.766
    9    HA   ILE1102           HA       ILE1102  -9.820   7.976   4.662
   10    HB   ILE1102           HB       ILE1102  -6.977   6.985   4.829
   11   1HG1  ILE1102          2HG1      ILE1102  -8.164   8.475   2.493
   12   2HG1  ILE1102          1HG1      ILE1102  -7.282   9.305   3.770
   13   1HG2  ILE1102          1HG2      ILE1102  -9.335   6.290   3.098
   14   2HG2  ILE1102          2HG2      ILE1102  -8.452   5.242   4.208
   15   3HG2  ILE1102          3HG2      ILE1102  -7.684   5.798   2.720
   16   1HD1  ILE1102          1HD1      ILE1102  -5.390   8.850   2.731
   17   2HD1  ILE1102          2HD1      ILE1102  -6.270   7.962   1.487
   18   3HD1  ILE1102          3HD1      ILE1102  -5.697   7.125   2.930
   19    H    SER1103           H        SER1103 -10.224   5.688   5.114
   20    HA   SER1103           HA       SER1103 -10.685   5.196   7.827
   21   1HB   SER1103          2HB       SER1103 -11.500   4.038   5.482
   22   2HB   SER1103          1HB       SER1103 -10.449   2.789   6.148
   23    HG   SER1103           HG       SER1103 -11.699   3.076   8.140
   24    H    ASN1104           H        ASN1104  -9.884   3.155   8.966
   25    HA   ASN1104           HA       ASN1104  -7.005   3.334   9.121
   26   1HB   ASN1104          2HB       ASN1104  -7.234   1.883  11.088
   27   2HB   ASN1104          1HB       ASN1104  -8.330   3.259  11.177
   28   1HD2  ASN1104          1HD2      ASN1104 -10.535   2.930  10.971
   29   2HD2  ASN1104          2HD2      ASN1104 -11.252   1.364  11.105
   30    HA   PRO1105           HA       PRO1105  -6.486  -0.246   6.487
   31   1HB   PRO1105          2HB       PRO1105  -3.653  -0.168   7.045
   32   2HB   PRO1105          1HB       PRO1105  -4.495   0.291   5.565
   33   1HG   PRO1105          2HG       PRO1105  -3.219   2.060   7.227
   34   2HG   PRO1105          1HG       PRO1105  -4.541   2.497   6.134
   35   1HD   PRO1105          2HD       PRO1105  -4.597   2.000   9.077
   36   2HD   PRO1105          1HD       PRO1105  -5.495   3.190   8.111
   37    HA   PRO1106           HA       PRO1106  -5.870  -3.726   9.136
   38   1HB   PRO1106          2HB       PRO1106  -4.464  -5.481   7.642
   39   2HB   PRO1106          1HB       PRO1106  -6.140  -5.059   7.273
   40   1HG   PRO1106          2HG       PRO1106  -3.615  -4.045   6.028
   41   2HG   PRO1106          1HG       PRO1106  -5.135  -4.522   5.248
   42   1HD   PRO1106          2HD       PRO1106  -4.457  -1.929   5.734
   43   2HD   PRO1106          1HD       PRO1106  -6.136  -2.503   5.686
   44    HA   PRO1107           HA       PRO1107  -1.997  -3.707  11.254
   45   1HB   PRO1107          2HB       PRO1107  -1.628  -6.291  11.988
   46   2HB   PRO1107          1HB       PRO1107  -2.855  -5.253  12.723
   47   1HG   PRO1107          2HG       PRO1107  -3.161  -7.313  10.573
   48   2HG   PRO1107          1HG       PRO1107  -4.194  -7.002  11.980
   49   1HD   PRO1107          2HD       PRO1107  -4.808  -6.117   9.495
   50   2HD   PRO1107          1HD       PRO1107  -5.259  -5.228  10.964
   51    H    LEU1108           H        LEU1108   0.225  -4.176  11.115
   52    HA   LEU1108           HA       LEU1108   1.047  -5.194   8.500
   53   1HB   LEU1108          2HB       LEU1108   2.209  -3.336  10.505
   54   2HB   LEU1108          1HB       LEU1108   3.333  -4.262   9.530
   55    HG   LEU1108           HG       LEU1108   1.178  -2.464   8.417
   56   1HD1  LEU1108          1HD1      LEU1108   3.973  -1.974   9.243
   57   2HD1  LEU1108          2HD1      LEU1108   2.596  -0.875   9.178
   58   3HD1  LEU1108          3HD1      LEU1108   3.467  -1.284   7.701
   59   1HD2  LEU1108          1HD2      LEU1108   1.711  -4.231   6.881
   60   2HD2  LEU1108          2HD2      LEU1108   3.439  -3.977   7.119
   61   3HD2  LEU1108          3HD2      LEU1108   2.470  -2.744   6.313
   62    H    ILE1109           H        ILE1109   2.569  -6.822   8.238
   63    HA   ILE1109           HA       ILE1109   3.104  -8.436  10.645
   64    HB   ILE1109           HB       ILE1109   3.436 -10.282   8.765
   65   1HG1  ILE1109          2HG1      ILE1109   1.207  -8.656   7.558
   66   2HG1  ILE1109          1HG1      ILE1109   2.869  -8.515   7.000
   67   1HG2  ILE1109          1HG2      ILE1109   1.450 -11.198   9.472
   68   2HG2  ILE1109          2HG2      ILE1109   0.599  -9.654   9.431
   69   3HG2  ILE1109          3HG2      ILE1109   1.734 -10.000  10.736
   70   1HD1  ILE1109          1HD1      ILE1109   2.088 -11.272   7.126
   71   2HD1  ILE1109          2HD1      ILE1109   2.664 -10.326   5.752
   72   3HD1  ILE1109          3HD1      ILE1109   0.946 -10.340   6.157
   73    H    SER1110           H        SER1110   5.168  -8.601  11.215
   74    HA   SER1110           HA       SER1110   7.236  -7.617   9.450
   75   1HB   SER1110          2HB       SER1110   8.639  -8.459  11.568
   76   2HB   SER1110          1HB       SER1110   7.767  -6.927  11.568
   77    HG   SER1110           HG       SER1110   6.447  -7.691  13.016
   78    H    SER1111           H        SER1111   8.619  -8.792   8.279
   79    HA   SER1111           HA       SER1111   8.778 -11.686   8.781
   80   1HB   SER1111          2HB       SER1111   8.926 -11.949   6.249
   81   2HB   SER1111          1HB       SER1111   7.336 -11.541   6.895
   82    HG   SER1111           HG       SER1111   9.045 -10.055   5.307
   83    H    ALA1112           H        ALA1112  10.801 -12.041   9.415
   84    HA   ALA1112           HA       ALA1112  12.999 -11.477   7.689
   85   1HB   ALA1112          1HB       ALA1112  14.143 -10.207   9.750
   86   2HB   ALA1112          2HB       ALA1112  12.476  -9.678   9.974
   87   3HB   ALA1112          3HB       ALA1112  13.301  -9.366   8.448
   88    H    LYS1113           H        LYS1113  13.525 -13.618   7.830
   89    HA   LYS1113           HA       LYS1113  13.696 -15.014  10.319
   90   1HB   LYS1113          2HB       LYS1113  14.395 -15.645   7.477
   91   2HB   LYS1113          1HB       LYS1113  14.990 -16.685   8.763
   92   1HG   LYS1113          2HG       LYS1113  13.037 -17.736   8.169
   93   2HG   LYS1113          1HG       LYS1113  12.506 -16.732   9.520
   94   1HD   LYS1113          2HD       LYS1113  12.079 -14.994   7.555
   95   2HD   LYS1113          1HD       LYS1113  11.930 -16.482   6.617
   96   1HE   LYS1113          2HE       LYS1113  10.492 -16.426   9.190
   97   2HE   LYS1113          1HE       LYS1113   9.888 -15.331   7.948
   98   1HZ   LYS1113          1HZ       LYS1113  10.182 -17.559   6.533
   99   2HZ   LYS1113          2HZ       LYS1113   8.748 -17.155   7.332
  100   3HZ   LYS1113          3HZ       LYS1113   9.837 -18.233   8.046
  101    H    ASP 658           H        ASP 658   7.309 -14.519  -5.357
  102    HA   ASP 658           HA       ASP 658  10.115 -13.657  -5.409
  103   1HB   ASP 658          2HB       ASP 658   8.438 -13.251  -7.358
  104   2HB   ASP 658          1HB       ASP 658   7.813 -11.964  -6.332
  105    H    SER 659           H        SER 659  10.798 -12.912  -3.511
  106    HA   SER 659           HA       SER 659   8.971 -11.217  -1.937
  107   1HB   SER 659          2HB       SER 659  10.478 -13.516  -1.173
  108   2HB   SER 659          1HB       SER 659  11.150 -12.121  -0.330
  109    HG   SER 659           HG       SER 659   8.382 -12.728  -0.407
  110    H    SER 660           H        SER 660   9.496  -9.196  -2.593
  111    HA   SER 660           HA       SER 660  12.270  -8.416  -2.916
  112   1HB   SER 660          2HB       SER 660   9.633  -7.037  -3.363
  113   2HB   SER 660          1HB       SER 660  11.145  -6.130  -3.376
  114    HG   SER 660           HG       SER 660  10.099  -7.794  -5.262
  115    H    GLU 661           H        GLU 661  12.825  -6.162  -1.946
  116    HA   GLU 661           HA       GLU 661  11.779  -5.883   0.772
  117   1HB   GLU 661          2HB       GLU 661  14.746  -5.926   0.226
  118   2HB   GLU 661          1HB       GLU 661  13.941  -5.875   1.789
  119   1HG   GLU 661          2HG       GLU 661  14.291  -8.071   1.835
  120   2HG   GLU 661          1HG       GLU 661  12.935  -8.169   0.712
  121    H    SER 662           H        SER 662  10.855  -3.921   0.363
  122    HA   SER 662           HA       SER 662  12.479  -1.629   0.479
  123   1HB   SER 662          2HB       SER 662  11.433  -0.830  -1.885
  124   2HB   SER 662          1HB       SER 662  13.043  -1.532  -1.721
  125    HG   SER 662           HG       SER 662  11.949  -2.630  -3.331
  126    H    CYS 663           H        CYS 663  11.324   0.018   1.294
  127    HA   CYS 663           HA       CYS 663   8.612  -0.364   1.998
  128   1HB   CYS 663          2HB       CYS 663  10.424   1.042   3.171
  129   2HB   CYS 663          1HB       CYS 663  10.017   2.293   2.006
  130    H    TRP 664           H        TRP 664   6.809   0.072   0.906
  131    HA   TRP 664           HA       TRP 664   6.839   0.980  -1.756
  132   1HB   TRP 664          2HB       TRP 664   4.609   0.618   0.241
  133   2HB   TRP 664          1HB       TRP 664   4.313   1.164  -1.407
  134    HD1  TRP 664           HD       TRP 664   6.903  -1.557  -0.633
  135    HE1  TRP 664           1HE      TRP 664   6.102  -3.769  -1.680
  136    HE3  TRP 664           3HE      TRP 664   2.241  -0.101  -2.176
  137    HZ2  TRP 664           2HZ      TRP 664   3.811  -4.763  -2.984
  138    HZ3  TRP 664           3HZ      TRP 664   0.813  -1.750  -3.313
  139    HH2  TRP 664           HH       TRP 664   1.581  -4.029  -3.708
  140    H    ASN 665           H        ASN 665   6.741   2.696   1.225
  141    HA   ASN 665           HA       ASN 665   5.826   5.155  -0.087
  142   1HB   ASN 665          2HB       ASN 665   4.612   4.902   1.883
  143   2HB   ASN 665          1HB       ASN 665   5.987   4.245   2.765
  144   1HD2  ASN 665          1HD2      ASN 665   6.580   5.550   4.322
  145   2HD2  ASN 665          2HD2      ASN 665   6.636   7.275   4.249
  146    H    CYS 666           H        CYS 666   8.311   4.296   2.333
  147    HA   CYS 666           HA       CYS 666   9.851   6.582   2.068
  148   1HB   CYS 666          2HB       CYS 666  10.584   3.783   2.901
  149   2HB   CYS 666          1HB       CYS 666  11.750   5.099   2.924
  150    H    GLY 667           H        GLY 667  10.621   3.394   0.597
  151   1HA   GLY 667          2HA       GLY 667  11.237   3.176  -1.700
  152   2HA   GLY 667          1HA       GLY 667  11.750   4.856  -1.689
  153    H    ARG 668           H        ARG 668  12.632   2.817   0.965
  154    HA   ARG 668           HA       ARG 668  15.352   2.562  -0.130
  155   1HB   ARG 668          2HB       ARG 668  14.496   4.041   2.165
  156   2HB   ARG 668          1HB       ARG 668  15.497   2.700   2.705
  157   1HG   ARG 668          2HG       ARG 668  16.806   4.723   2.323
  158   2HG   ARG 668          1HG       ARG 668  17.294   3.413   1.245
  159   1HD   ARG 668          2HD       ARG 668  16.313   4.413  -0.613
  160   2HD   ARG 668          1HD       ARG 668  15.273   5.443   0.370
  161    HE   ARG 668           HE       ARG 668  17.775   6.282   0.996
  162   1HH1  ARG 668          1HH1      ARG 668  16.062   5.855  -2.015
  163   2HH1  ARG 668          2HH1      ARG 668  16.918   7.124  -2.826
  164   1HH2  ARG 668          1HH2      ARG 668  18.901   7.950  -0.069
  165   2HH2  ARG 668          2HH2      ARG 668  18.529   8.313  -1.721
  166    H    LYS 669           H        LYS 669  13.481   1.452   2.705
  167    HA   LYS 669           HA       LYS 669  13.712  -1.294   1.895
  168   1HB   LYS 669          2HB       LYS 669  15.119  -2.107   3.611
  169   2HB   LYS 669          1HB       LYS 669  15.957  -0.718   2.935
  170   1HG   LYS 669          2HG       LYS 669  16.241  -0.332   5.166
  171   2HG   LYS 669          1HG       LYS 669  14.747   0.564   4.879
  172   1HD   LYS 669          2HD       LYS 669  13.884  -0.632   6.560
  173   2HD   LYS 669          1HD       LYS 669  13.852  -1.985   5.426
  174   1HE   LYS 669          2HE       LYS 669  16.453  -1.980   6.353
  175   2HE   LYS 669          1HE       LYS 669  15.509  -1.557   7.781
  176   1HZ   LYS 669          1HZ       LYS 669  15.503  -3.838   7.852
  177   2HZ   LYS 669          2HZ       LYS 669  15.434  -4.017   6.172
  178   3HZ   LYS 669          3HZ       LYS 669  14.054  -3.543   7.028
  179    H    ALA 670           H        ALA 670  12.463  -2.720   3.175
  180    HA   ALA 670           HA       ALA 670  10.849  -1.539   5.308
  181   1HB   ALA 670          1HB       ALA 670   9.845  -2.397   2.663
  182   2HB   ALA 670          2HB       ALA 670   9.236  -1.161   3.763
  183   3HB   ALA 670          3HB       ALA 670   8.885  -2.863   4.068
  184    H    SER 671           H        SER 671  10.124  -2.992   6.835
  185    HA   SER 671           HA       SER 671  10.990  -5.786   6.469
  186   1HB   SER 671          2HB       SER 671  11.146  -4.007   8.896
  187   2HB   SER 671          1HB       SER 671  11.249  -5.763   9.017
  188    HG   SER 671           HG       SER 671  13.128  -5.744   7.917
  189    H    GLU 672           H        GLU 672   8.316  -3.839   6.809
  190    HA   GLU 672           HA       GLU 672   6.783  -5.955   8.166
  191   1HB   GLU 672          2HB       GLU 672   5.674  -3.213   7.685
  192   2HB   GLU 672          1HB       GLU 672   5.269  -4.371   8.942
  193   1HG   GLU 672          2HG       GLU 672   7.972  -3.095   8.867
  194   2HG   GLU 672          1HG       GLU 672   6.591  -2.250   9.563
  195    H    THR 673           H        THR 673   4.682  -6.475   7.323
  196    HA   THR 673           HA       THR 673   4.345  -5.853   4.469
  197    HB   THR 673           HB       THR 673   4.186  -8.578   5.774
  198    HG1  THR 673           1HG      THR 673   6.175  -8.568   5.134
  199   1HG2  THR 673          1HG2      THR 673   3.649  -7.945   2.883
  200   2HG2  THR 673          2HG2      THR 673   2.389  -8.259   4.077
  201   3HG2  THR 673          3HG2      THR 673   3.560  -9.516   3.680
  202    H    CYS 674           H        CYS 674   2.292  -5.552   3.761
  203    HA   CYS 674           HA       CYS 674   0.278  -4.982   5.683
  204   1HB   CYS 674          2HB       CYS 674   0.380  -3.727   3.615
  205   2HB   CYS 674          1HB       CYS 674   0.177  -5.195   2.667
  206    H    SER 675           H        SER 675  -0.637  -6.586   6.807
  207    HA   SER 675           HA       SER 675  -0.916  -9.241   5.880
  208   1HB   SER 675          2HB       SER 675  -2.032  -9.687   7.942
  209   2HB   SER 675          1HB       SER 675  -0.784  -8.490   8.290
  210    HG   SER 675           HG       SER 675  -2.541  -6.903   7.982
  211    H    GLY 676           H        GLY 676  -2.723  -6.508   5.104
  212   1HA   GLY 676          2HA       GLY 676  -5.305  -7.756   4.921
  213   2HA   GLY 676          1HA       GLY 676  -4.850  -6.196   4.250
  214    H    CYS 677           H        CYS 677  -2.847  -6.807   2.520
  215    HA   CYS 677           HA       CYS 677  -4.202  -8.569   0.593
  216   1HB   CYS 677          2HB       CYS 677  -3.055  -7.261  -1.165
  217   2HB   CYS 677          1HB       CYS 677  -4.110  -6.266  -0.168
  218    H    ASN 678           H        ASN 678  -1.457  -8.277   2.542
  219    HA   ASN 678           HA       ASN 678   0.461  -9.475   2.750
  220   1HB   ASN 678          2HB       ASN 678  -1.342 -11.291   1.237
  221   2HB   ASN 678          1HB       ASN 678   0.368 -11.713   1.275
  222   1HD2  ASN 678          1HD2      ASN 678   1.378 -11.888   3.391
  223   2HD2  ASN 678          2HD2      ASN 678   0.433 -12.446   4.725
  224    H    THR 679           H        THR 679   0.073  -7.524   0.497
  225    HA   THR 679           HA       THR 679   2.263  -8.492  -1.219
  226    HB   THR 679           HB       THR 679  -0.064  -6.718  -1.966
  227    HG1  THR 679           1HG      THR 679   0.669  -9.330  -2.794
  228   1HG2  THR 679          1HG2      THR 679   1.131  -5.942  -3.651
  229   2HG2  THR 679          2HG2      THR 679   1.245  -7.589  -4.273
  230   3HG2  THR 679          3HG2      THR 679   2.505  -6.957  -3.212
  231    H    ALA 680           H        ALA 680   0.832  -5.716   0.391
  232    HA   ALA 680           HA       ALA 680   2.828  -3.858  -0.439
  233   1HB   ALA 680          1HB       ALA 680   0.384  -3.793   1.052
  234   2HB   ALA 680          2HB       ALA 680   1.237  -2.477   0.245
  235   3HB   ALA 680          3HB       ALA 680   1.636  -2.896   1.910
  236    H    ARG 681           H        ARG 681   4.368  -2.795   0.898
  237    HA   ARG 681           HA       ARG 681   5.218  -4.242   3.300
  238   1HB   ARG 681          2HB       ARG 681   6.950  -3.598   0.910
  239   2HB   ARG 681          1HB       ARG 681   7.608  -4.004   2.490
  240   1HG   ARG 681          2HG       ARG 681   5.671  -5.847   1.159
  241   2HG   ARG 681          1HG       ARG 681   7.371  -5.843   0.686
  242   1HD   ARG 681          2HD       ARG 681   6.352  -6.227   3.496
  243   2HD   ARG 681          1HD       ARG 681   6.852  -7.528   2.419
  244    HE   ARG 681           HE       ARG 681   8.574  -5.618   3.782
  245   1HH1  ARG 681          1HH1      ARG 681   8.301  -8.176   1.417
  246   2HH1  ARG 681          2HH1      ARG 681   9.990  -8.546   1.445
  247   1HH2  ARG 681          1HH2      ARG 681  10.794  -6.105   3.811
  248   2HH2  ARG 681          2HH2      ARG 681  11.406  -7.373   2.801
  249    H    TYR 682           H        TYR 682   6.149  -2.953   4.871
  250    HA   TYR 682           HA       TYR 682   6.878  -0.215   4.262
  251   1HB   TYR 682          2HB       TYR 682   4.557  -0.897   6.076
  252   2HB   TYR 682          1HB       TYR 682   5.357   0.672   6.065
  253    HD1  TYR 682           1HD      TYR 682   2.891  -1.418   4.496
  254    HD2  TYR 682           2HD      TYR 682   5.314   2.033   3.932
  255    HE1  TYR 682           1HE      TYR 682   1.420  -0.692   2.666
  256    HE2  TYR 682           2HE      TYR 682   3.848   2.771   2.100
  257    HH   TYR 682           HH       TYR 682   2.068   1.170   0.412
  258    H    CYS 683           H        CYS 683   8.170   0.741   5.870
  259    HA   CYS 683           HA       CYS 683   9.345  -1.194   7.698
  260   1HB   CYS 683          2HB       CYS 683  11.208   0.314   7.888
  261   2HB   CYS 683          1HB       CYS 683  10.797   0.155   6.186
  262    H    GLY 684           H        GLY 684   7.189   1.496   7.786
  263   1HA   GLY 684          2HA       GLY 684   7.110   1.258  10.696
  264   2HA   GLY 684          1HA       GLY 684   7.470   2.849  10.043
  265    H    SER 685           H        SER 685   5.198   1.921  11.655
  266    HA   SER 685           HA       SER 685   2.844   1.527  10.307
  267   1HB   SER 685          2HB       SER 685   1.761   2.793  12.219
  268   2HB   SER 685          1HB       SER 685   2.830   1.474  12.691
  269    HG   SER 685           HG       SER 685   4.012   2.871  13.702
  270    H    PHE 686           H        PHE 686   4.645   4.526  10.653
  271    HA   PHE 686           HA       PHE 686   2.587   6.217   9.653
  272   1HB   PHE 686          2HB       PHE 686   4.305   7.927   9.491
  273   2HB   PHE 686          1HB       PHE 686   4.477   7.059  11.011
  274    HD1  PHE 686           1HD      PHE 686   6.301   5.380  11.262
  275    HD2  PHE 686           2HD      PHE 686   6.034   7.966   7.892
  276    HE1  PHE 686           1HE      PHE 686   8.662   4.933  10.737
  277    HE2  PHE 686           2HE      PHE 686   8.395   7.522   7.360
  278    HZ   PHE 686           HZ       PHE 686   9.712   6.004   8.784
  279    H    CYS 687           H        CYS 687   5.205   4.393   8.180
  280    HA   CYS 687           HA       CYS 687   5.121   5.571   5.632
  281   1HB   CYS 687          2HB       CYS 687   5.857   2.725   6.332
  282   2HB   CYS 687          1HB       CYS 687   6.307   3.588   4.865
  283    H    GLN 688           H        GLN 688   3.353   2.824   6.989
  284    HA   GLN 688           HA       GLN 688   2.113   2.041   4.587
  285   1HB   GLN 688          2HB       GLN 688   0.655   0.701   5.912
  286   2HB   GLN 688          1HB       GLN 688   2.248   0.647   6.646
  287   1HG   GLN 688          2HG       GLN 688   1.446   1.369   8.573
  288   2HG   GLN 688          1HG       GLN 688   0.712   2.771   7.804
  289   1HE2  GLN 688          1HE2      GLN 688  -0.010  -0.607   7.162
  290   2HE2  GLN 688          2HE2      GLN 688  -1.644  -0.549   7.707
  291    H    HIS 689           H        HIS 689   1.208   4.400   7.043
  292    HA   HIS 689           HA       HIS 689  -1.387   4.921   6.013
  293   1HB   HIS 689          2HB       HIS 689   0.415   6.179   8.016
  294   2HB   HIS 689          1HB       HIS 689  -0.884   7.170   7.360
  295    HD1  HIS 689           1HD      HIS 689  -1.516   6.936  10.066
  296    HD2  HIS 689           2HD      HIS 689  -2.193   3.670   7.591
  297    HE1  HIS 689           1HE      HIS 689  -3.166   5.493  11.298
  298    HE2  HIS 689           2HE      HIS 689  -3.485   3.474   9.825
  299    H    LYS 690           H        LYS 690   1.788   6.338   5.468
  300    HA   LYS 690           HA       LYS 690   1.047   8.642   4.093
  301   1HB   LYS 690          2HB       LYS 690   3.387   7.723   4.867
  302   2HB   LYS 690          1HB       LYS 690   3.453   7.084   3.232
  303   1HG   LYS 690          2HG       LYS 690   3.234   9.961   4.074
  304   2HG   LYS 690          1HG       LYS 690   4.575   9.175   3.241
  305   1HD   LYS 690          2HD       LYS 690   1.803   9.597   2.124
  306   2HD   LYS 690          1HD       LYS 690   3.236  10.534   1.707
  307   1HE   LYS 690          2HE       LYS 690   3.687   7.687   1.397
  308   2HE   LYS 690          1HE       LYS 690   2.318   8.242   0.436
  309   1HZ   LYS 690          1HZ       LYS 690   3.939   8.739  -1.021
  310   2HZ   LYS 690          2HZ       LYS 690   5.144   8.853   0.161
  311   3HZ   LYS 690          3HZ       LYS 690   4.087  10.148  -0.096
  312    H    ASP 691           H        ASP 691   1.871   5.449   2.761
  313    HA   ASP 691           HA       ASP 691   0.973   6.242   0.122
  314   1HB   ASP 691          2HB       ASP 691   2.367   3.887   1.289
  315   2HB   ASP 691          1HB       ASP 691   1.434   3.625  -0.182
  316    H    TRP 692           H        TRP 692  -0.481   5.024   2.907
  317    HA   TRP 692           HA       TRP 692  -2.261   3.120   2.173
  318   1HB   TRP 692          2HB       TRP 692  -2.129   4.037   4.441
  319   2HB   TRP 692          1HB       TRP 692  -2.876   5.531   3.890
  320    HD1  TRP 692           HD       TRP 692  -5.154   5.495   5.101
  321    HE1  TRP 692           1HE      TRP 692  -7.146   3.863   5.186
  322    HE3  TRP 692           3HE      TRP 692  -3.091   1.540   2.592
  323    HZ2  TRP 692           2HZ      TRP 692  -7.762   1.260   4.306
  324    HZ3  TRP 692           3HZ      TRP 692  -4.451  -0.480   2.256
  325    HH2  TRP 692           HH       TRP 692  -6.739  -0.616   3.097
  326    H    GLU 693           H        GLU 693  -2.683   6.616   1.610
  327    HA   GLU 693           HA       GLU 693  -5.224   6.548   0.531
  328   1HB   GLU 693          2HB       GLU 693  -4.890   8.731   0.261
  329   2HB   GLU 693          1HB       GLU 693  -3.271   8.475   0.894
  330   1HG   GLU 693          2HG       GLU 693  -2.393   8.267  -1.345
  331   2HG   GLU 693          1HG       GLU 693  -4.015   8.398  -2.022
  332    H    LYS 694           H        LYS 694  -2.137   5.839  -1.023
  333    HA   LYS 694           HA       LYS 694  -3.405   5.455  -3.606
  334   1HB   LYS 694          2HB       LYS 694  -0.551   4.829  -2.849
  335   2HB   LYS 694          1HB       LYS 694  -1.203   5.062  -4.465
  336   1HG   LYS 694          2HG       LYS 694  -1.337   7.281  -2.477
  337   2HG   LYS 694          1HG       LYS 694   0.167   6.948  -3.331
  338   1HD   LYS 694          2HD       LYS 694  -1.024   8.613  -4.566
  339   2HD   LYS 694          1HD       LYS 694  -1.109   7.104  -5.476
  340   1HE   LYS 694          2HE       LYS 694  -3.337   6.988  -5.287
  341   2HE   LYS 694          1HE       LYS 694  -3.304   7.445  -3.584
  342   1HZ   LYS 694          1HZ       LYS 694  -3.153   9.741  -4.195
  343   2HZ   LYS 694          2HZ       LYS 694  -4.466   9.061  -5.017
  344   3HZ   LYS 694          3HZ       LYS 694  -3.017   9.357  -5.838
  345    H    HIS 695           H        HIS 695  -1.619   3.480  -1.256
  346    HA   HIS 695           HA       HIS 695  -1.808   1.042  -2.559
  347   1HB   HIS 695          2HB       HIS 695  -0.331   1.427  -0.654
  348   2HB   HIS 695          1HB       HIS 695  -1.724   1.555   0.416
  349    HD1  HIS 695           1HD      HIS 695  -0.693  -1.090  -2.148
  350    HD2  HIS 695           2HD      HIS 695  -1.904  -0.714   1.809
  351    HE1  HIS 695           1HE      HIS 695  -0.838  -3.438  -1.227
  352    H    HIS 696           H        HIS 696  -4.099   2.457  -0.222
  353    HA   HIS 696           HA       HIS 696  -5.705   0.244   0.119
  354   1HB   HIS 696          2HB       HIS 696  -7.382   1.651   0.993
  355   2HB   HIS 696          1HB       HIS 696  -5.843   2.387   1.412
  356    HD1  HIS 696           1HD      HIS 696  -8.250   2.771  -1.537
  357    HD2  HIS 696           2HD      HIS 696  -6.041   5.025   1.159
  358    HE1  HIS 696           1HE      HIS 696  -8.752   5.172  -2.093
  359    HE2  HIS 696           2HE      HIS 696  -7.471   6.514  -0.397
  360    H    HIS 697           H        HIS 697  -5.549   2.345  -2.683
  361    HA   HIS 697           HA       HIS 697  -8.063   1.701  -3.796
  362   1HB   HIS 697          2HB       HIS 697  -5.476   2.266  -5.267
  363   2HB   HIS 697          1HB       HIS 697  -7.097   2.371  -5.937
  364    HD1  HIS 697           1HD      HIS 697  -8.591   4.151  -4.125
  365    HD2  HIS 697           2HD      HIS 697  -4.568   4.763  -4.958
  366    HE1  HIS 697           1HE      HIS 697  -8.171   6.589  -3.667
  367    HE2  HIS 697           2HE      HIS 697  -5.753   6.955  -4.271
  368    H    ILE 698           H        ILE 698  -5.000   0.029  -3.610
  369    HA   ILE 698           HA       ILE 698  -5.875  -2.037  -5.475
  370    HB   ILE 698           HB       ILE 698  -3.289  -2.180  -3.979
  371   1HG1  ILE 698          2HG1      ILE 698  -3.557  -0.606  -6.537
  372   2HG1  ILE 698          1HG1      ILE 698  -3.631   0.170  -4.958
  373   1HG2  ILE 698          1HG2      ILE 698  -2.753  -2.918  -6.499
  374   2HG2  ILE 698          2HG2      ILE 698  -4.474  -3.300  -6.437
  375   3HG2  ILE 698          3HG2      ILE 698  -3.366  -4.027  -5.272
  376   1HD1  ILE 698          1HD1      ILE 698  -1.390  -0.771  -4.457
  377   2HD1  ILE 698          2HD1      ILE 698  -1.411   0.366  -5.806
  378   3HD1  ILE 698          3HD1      ILE 698  -1.324  -1.368  -6.116
  379    H    CYS 699           H        CYS 699  -4.614  -1.868  -2.147
  380    HA   CYS 699           HA       CYS 699  -4.684  -4.374  -1.253
  381   1HB   CYS 699          2HB       CYS 699  -4.338  -2.178   0.045
  382   2HB   CYS 699          1HB       CYS 699  -6.066  -2.256   0.373
  383    H    GLY 700           H        GLY 700  -6.157  -5.764  -0.173
  384   1HA   GLY 700          2HA       GLY 700  -8.157  -6.841   0.160
  385   2HA   GLY 700          1HA       GLY 700  -8.970  -5.325  -0.202
  386    H    GLN 701           H        GLN 701  -6.742  -6.951  -2.377
  387    HA   GLN 701           HA       GLN 701  -9.000  -7.423  -4.209
  388   1HB   GLN 701          2HB       GLN 701  -6.847  -5.850  -4.682
  389   2HB   GLN 701          1HB       GLN 701  -6.254  -7.384  -5.305
  390   1HG   GLN 701          2HG       GLN 701  -8.068  -7.537  -6.850
  391   2HG   GLN 701          1HG       GLN 701  -8.861  -6.135  -6.132
  392   1HE2  GLN 701          1HE2      GLN 701  -8.174  -6.440  -8.865
  393   2HE2  GLN 701          2HE2      GLN 701  -7.026  -5.210  -9.259
  394    H    THR 702           H        THR 702  -8.516  -9.217  -5.836
  395    HA   THR 702           HA       THR 702  -6.998 -11.410  -4.617
  396    HB   THR 702           HB       THR 702  -9.759 -11.817  -5.759
  397    HG1  THR 702           1HG      THR 702  -8.955 -11.323  -3.097
  398   1HG2  THR 702          1HG2      THR 702  -9.709 -13.955  -4.880
  399   2HG2  THR 702          2HG2      THR 702  -8.370 -13.586  -3.794
  400   3HG2  THR 702          3HG2      THR 702  -8.082 -13.746  -5.527
  401    H    LEU 703           H        LEU 703  -5.421 -11.397  -6.163
  402    HA   LEU 703           HA       LEU 703  -6.286 -11.852  -8.944
  403   1HB   LEU 703          2HB       LEU 703  -4.925  -9.782  -8.443
  404   2HB   LEU 703          1HB       LEU 703  -3.591 -10.847  -8.043
  405    HG   LEU 703           HG       LEU 703  -4.133 -11.790 -10.487
  406   1HD1  LEU 703          1HD1      LEU 703  -6.008 -10.219 -10.805
  407   2HD1  LEU 703          2HD1      LEU 703  -4.729 -10.008 -12.001
  408   3HD1  LEU 703          3HD1      LEU 703  -4.876  -8.874 -10.659
  409   1HD2  LEU 703          1HD2      LEU 703  -2.135 -10.904 -11.045
  410   2HD2  LEU 703          2HD2      LEU 703  -2.094 -10.462  -9.339
  411   3HD2  LEU 703          3HD2      LEU 703  -2.594  -9.276 -10.544
  412    H    GLN 704           H        GLN 704  -6.070 -13.880  -6.870
  413    HA   GLN 704           HA       GLN 704  -4.350 -15.719  -8.305
  414   1HB   GLN 704          2HB       GLN 704  -3.065 -14.519  -6.361
  415   2HB   GLN 704          1HB       GLN 704  -3.975 -15.620  -5.336
  416   1HG   GLN 704          2HG       GLN 704  -3.037 -17.525  -6.493
  417   2HG   GLN 704          1HG       GLN 704  -2.185 -16.457  -7.607
  418   1HE2  GLN 704          1HE2      GLN 704  -0.117 -16.309  -7.169
  419   2HE2  GLN 704          2HE2      GLN 704   0.604 -16.333  -5.600
  420    H    ALA 705           H        ALA 705  -6.372 -16.671  -8.822
  421    HA   ALA 705           HA       ALA 705  -7.669 -18.066  -6.571
  422   1HB   ALA 705          1HB       ALA 705  -9.678 -18.185  -8.013
  423   2HB   ALA 705          2HB       ALA 705  -8.835 -17.211  -9.217
  424   3HB   ALA 705          3HB       ALA 705  -9.195 -16.532  -7.630
  425    H    GLN 706           H        GLN 706  -8.246 -20.246  -6.826
  426    HA   GLN 706           HA       GLN 706  -7.612 -21.699  -9.213
  427   1HB   GLN 706          2HB       GLN 706  -5.401 -21.252  -7.853
  428   2HB   GLN 706          1HB       GLN 706  -5.996 -22.570  -6.853
  429   1HG   GLN 706          2HG       GLN 706  -5.300 -24.073  -8.317
  430   2HG   GLN 706          1HG       GLN 706  -6.190 -23.286  -9.620
  431   1HE2  GLN 706          1HE2      GLN 706  -3.210 -24.227  -8.629
  432   2HE2  GLN 706          2HE2      GLN 706  -2.235 -23.163  -9.579
  433    H    GLN 707           H        GLN 707  -9.622 -22.600  -9.137
  434    HA   GLN 707           HA       GLN 707 -10.094 -24.505  -6.955
  435   1HB   GLN 707          2HB       GLN 707 -11.448 -22.292  -6.816
  436   2HB   GLN 707          1HB       GLN 707 -12.373 -22.962  -8.152
  437   1HG   GLN 707          2HG       GLN 707 -13.648 -23.819  -6.530
  438   2HG   GLN 707          1HG       GLN 707 -12.390 -25.052  -6.442
  439   1HE2  GLN 707          1HE2      GLN 707 -14.219 -24.023  -4.387
  440   2HE2  GLN 707          2HE2      GLN 707 -13.212 -23.475  -3.095
  Start of MODEL   20
    1    H    THR1101           H        THR1101  -7.683  10.859   7.125
    2    HA   THR1101           HA       THR1101 -10.494  11.552   6.760
    3    HB   THR1101           HB       THR1101  -8.665  12.981   5.886
    4    HG1  THR1101           1HG      THR1101 -10.233  11.606   3.970
    5   1HG2  THR1101          1HG2      THR1101  -7.931  11.260   3.680
    6   2HG2  THR1101          2HG2      THR1101  -7.382  10.629   5.232
    7   3HG2  THR1101          3HG2      THR1101  -6.922  12.255   4.729
    8    H    ILE1102           H        ILE1102  -8.130   9.044   6.180
    9    HA   ILE1102           HA       ILE1102 -10.043   7.605   4.475
   10    HB   ILE1102           HB       ILE1102  -7.157   6.879   4.959
   11   1HG1  ILE1102          2HG1      ILE1102  -8.296   8.397   2.605
   12   2HG1  ILE1102          1HG1      ILE1102  -7.421   9.152   3.932
   13   1HG2  ILE1102          1HG2      ILE1102  -8.303   5.004   4.145
   14   2HG2  ILE1102          2HG2      ILE1102  -7.541   5.715   2.722
   15   3HG2  ILE1102          3HG2      ILE1102  -9.260   5.969   3.021
   16   1HD1  ILE1102          1HD1      ILE1102  -6.374   8.069   1.577
   17   2HD1  ILE1102          2HD1      ILE1102  -5.887   6.982   2.878
   18   3HD1  ILE1102          3HD1      ILE1102  -5.489   8.697   2.966
   19    H    SER1103           H        SER1103 -10.271   5.271   4.826
   20    HA   SER1103           HA       SER1103 -11.050   4.646   7.423
   21   1HB   SER1103          2HB       SER1103 -10.346   2.799   5.131
   22   2HB   SER1103          1HB       SER1103 -11.155   2.285   6.612
   23    HG   SER1103           HG       SER1103 -12.118   4.225   4.774
   24    H    ASN1104           H        ASN1104 -10.158   2.419   8.406
   25    HA   ASN1104           HA       ASN1104  -7.358   2.978   9.043
   26   1HB   ASN1104          2HB       ASN1104  -9.247   1.091  10.456
   27   2HB   ASN1104          1HB       ASN1104  -7.696   1.683  11.045
   28   1HD2  ASN1104          1HD2      ASN1104  -7.833   4.336  10.504
   29   2HD2  ASN1104          2HD2      ASN1104  -9.106   5.064  11.415
   30    HA   PRO1105           HA       PRO1105  -6.427  -0.520   6.341
   31   1HB   PRO1105          2HB       PRO1105  -3.718  -0.307   6.567
   32   2HB   PRO1105          1HB       PRO1105  -4.684   0.689   5.474
   33   1HG   PRO1105          2HG       PRO1105  -3.608   1.349   8.186
   34   2HG   PRO1105          1HG       PRO1105  -3.651   2.353   6.725
   35   1HD   PRO1105          2HD       PRO1105  -5.431   2.654   8.729
   36   2HD   PRO1105          1HD       PRO1105  -5.867   2.922   7.029
   37    HA   PRO1106           HA       PRO1106  -5.971  -3.828   9.246
   38   1HB   PRO1106          2HB       PRO1106  -4.265  -5.084   7.154
   39   2HB   PRO1106          1HB       PRO1106  -5.682  -5.731   7.986
   40   1HG   PRO1106          2HG       PRO1106  -5.859  -4.894   5.468
   41   2HG   PRO1106          1HG       PRO1106  -7.171  -4.590   6.622
   42   1HD   PRO1106          2HD       PRO1106  -5.089  -2.719   5.577
   43   2HD   PRO1106          1HD       PRO1106  -6.797  -2.413   5.956
   44    HA   PRO1107           HA       PRO1107  -2.024  -3.540  11.201
   45   1HB   PRO1107          2HB       PRO1107  -1.527  -6.060  12.072
   46   2HB   PRO1107          1HB       PRO1107  -2.766  -5.025  12.791
   47   1HG   PRO1107          2HG       PRO1107  -3.067  -7.225  10.785
   48   2HG   PRO1107          1HG       PRO1107  -4.062  -6.864  12.207
   49   1HD   PRO1107          2HD       PRO1107  -4.791  -6.161   9.693
   50   2HD   PRO1107          1HD       PRO1107  -5.234  -5.205  11.120
   51    H    LEU1108           H        LEU1108   0.229  -4.092  11.105
   52    HA   LEU1108           HA       LEU1108   1.001  -5.113   8.472
   53   1HB   LEU1108          2HB       LEU1108   2.286  -3.329  10.495
   54   2HB   LEU1108          1HB       LEU1108   3.303  -4.190   9.357
   55    HG   LEU1108           HG       LEU1108   1.081  -2.292   8.597
   56   1HD1  LEU1108          1HD1      LEU1108   3.226  -1.050   7.714
   57   2HD1  LEU1108          2HD1      LEU1108   4.004  -1.940   9.023
   58   3HD1  LEU1108          3HD1      LEU1108   2.669  -0.843   9.374
   59   1HD2  LEU1108          1HD2      LEU1108   2.779  -4.164   7.089
   60   2HD2  LEU1108          2HD2      LEU1108   2.651  -2.539   6.416
   61   3HD2  LEU1108          3HD2      LEU1108   1.195  -3.494   6.696
   62    H    ILE1109           H        ILE1109   2.534  -6.741   8.195
   63    HA   ILE1109           HA       ILE1109   3.053  -8.369  10.597
   64    HB   ILE1109           HB       ILE1109   3.431 -10.179   8.664
   65   1HG1  ILE1109          2HG1      ILE1109   1.194  -8.473   7.562
   66   2HG1  ILE1109          1HG1      ILE1109   2.825  -8.497   6.904
   67   1HG2  ILE1109          1HG2      ILE1109   1.493 -11.169   9.399
   68   2HG2  ILE1109          2HG2      ILE1109   0.597  -9.649   9.419
   69   3HG2  ILE1109          3HG2      ILE1109   1.776  -9.995  10.685
   70   1HD1  ILE1109          1HD1      ILE1109   2.611 -10.676   6.128
   71   2HD1  ILE1109          2HD1      ILE1109   1.047  -9.940   5.779
   72   3HD1  ILE1109          3HD1      ILE1109   1.227 -11.009   7.170
   73    H    SER1110           H        SER1110   5.108  -8.535  11.196
   74    HA   SER1110           HA       SER1110   7.199  -7.559   9.448
   75   1HB   SER1110          2HB       SER1110   8.558  -8.362  11.621
   76   2HB   SER1110          1HB       SER1110   7.713  -6.816  11.546
   77    HG   SER1110           HG       SER1110   7.280  -8.191  13.435
   78    H    SER1111           H        SER1111   8.511  -8.773   8.252
   79    HA   SER1111           HA       SER1111   8.620 -11.667   8.803
   80   1HB   SER1111          2HB       SER1111   8.879 -12.011   6.359
   81   2HB   SER1111          1HB       SER1111   7.335 -11.266   6.771
   82    HG   SER1111           HG       SER1111   8.073 -10.029   5.153
   83    H    ALA1112           H        ALA1112  10.573 -12.400   9.283
   84    HA   ALA1112           HA       ALA1112  12.928 -11.521   7.914
   85   1HB   ALA1112          1HB       ALA1112  12.270 -10.401  10.563
   86   2HB   ALA1112          2HB       ALA1112  13.268  -9.743   9.266
   87   3HB   ALA1112          3HB       ALA1112  13.925 -10.970  10.350
   88    H    LYS1113           H        LYS1113  12.199 -13.964   7.775
   89    HA   LYS1113           HA       LYS1113  13.595 -15.461   9.892
   90   1HB   LYS1113          2HB       LYS1113  11.458 -16.384   7.963
   91   2HB   LYS1113          1HB       LYS1113  12.284 -17.423   9.116
   92   1HG   LYS1113          2HG       LYS1113  11.311 -16.301  10.962
   93   2HG   LYS1113          1HG       LYS1113  10.704 -15.001   9.933
   94   1HD   LYS1113          2HD       LYS1113   8.868 -16.440  10.462
   95   2HD   LYS1113          1HD       LYS1113   9.283 -16.693   8.766
   96   1HE   LYS1113          2HE       LYS1113   9.949 -18.819   9.111
   97   2HE   LYS1113          1HE       LYS1113  10.669 -18.448  10.676
   98   1HZ   LYS1113          1HZ       LYS1113   8.922 -19.631  11.416
   99   2HZ   LYS1113          2HZ       LYS1113   7.982 -19.344  10.039
  100   3HZ   LYS1113          3HZ       LYS1113   8.090 -18.166  11.247
  101    H    ASP 658           H        ASP 658  14.144  -2.194  -8.274
  102    HA   ASP 658           HA       ASP 658  11.646  -2.170  -6.712
  103   1HB   ASP 658          2HB       ASP 658  11.613  -1.675  -9.249
  104   2HB   ASP 658          1HB       ASP 658  11.922  -3.398  -9.446
  105    H    SER 659           H        SER 659  12.257  -3.591  -5.101
  106    HA   SER 659           HA       SER 659  12.552  -6.380  -5.966
  107   1HB   SER 659          2HB       SER 659  14.123  -6.665  -3.955
  108   2HB   SER 659          1HB       SER 659  14.780  -5.856  -5.377
  109    HG   SER 659           HG       SER 659  14.686  -4.937  -2.920
  110    H    SER 660           H        SER 660  12.387  -7.816  -3.843
  111    HA   SER 660           HA       SER 660   9.758  -7.395  -2.844
  112   1HB   SER 660          2HB       SER 660  11.652  -9.322  -1.549
  113   2HB   SER 660          1HB       SER 660   9.934  -9.509  -1.900
  114    HG   SER 660           HG       SER 660  10.406  -9.889  -4.018
  115    H    GLU 661           H        GLU 661  12.961  -6.719  -1.643
  116    HA   GLU 661           HA       GLU 661  11.869  -5.918   0.958
  117   1HB   GLU 661          2HB       GLU 661  14.632  -6.551  -0.026
  118   2HB   GLU 661          1HB       GLU 661  14.411  -5.597   1.434
  119   1HG   GLU 661          2HG       GLU 661  13.223  -7.385   2.496
  120   2HG   GLU 661          1HG       GLU 661  13.222  -8.326   1.004
  121    H    SER 662           H        SER 662  10.905  -3.963   0.472
  122    HA   SER 662           HA       SER 662  12.540  -1.680   0.520
  123   1HB   SER 662          2HB       SER 662  11.475  -0.920  -1.847
  124   2HB   SER 662          1HB       SER 662  13.083  -1.627  -1.684
  125    HG   SER 662           HG       SER 662  11.617  -2.601  -3.291
  126    H    CYS 663           H        CYS 663  11.403   0.002   1.298
  127    HA   CYS 663           HA       CYS 663   8.682  -0.365   2.014
  128   1HB   CYS 663          2HB       CYS 663  10.493   0.992   3.223
  129   2HB   CYS 663          1HB       CYS 663  10.146   2.260   2.056
  130    H    TRP 664           H        TRP 664   6.891   0.112   0.927
  131    HA   TRP 664           HA       TRP 664   6.931   1.032  -1.728
  132   1HB   TRP 664          2HB       TRP 664   4.706   0.703   0.277
  133   2HB   TRP 664          1HB       TRP 664   4.409   1.274  -1.362
  134    HD1  TRP 664           HD       TRP 664   6.941  -1.514  -0.632
  135    HE1  TRP 664           1HE      TRP 664   6.089  -3.692  -1.704
  136    HE3  TRP 664           3HE      TRP 664   2.314   0.070  -2.138
  137    HZ2  TRP 664           2HZ      TRP 664   3.768  -4.618  -3.015
  138    HZ3  TRP 664           3HZ      TRP 664   0.842  -1.529  -3.293
  139    HH2  TRP 664           HH       TRP 664   1.554  -3.820  -3.721
  140    H    ASN 665           H        ASN 665   6.805   2.740   1.274
  141    HA   ASN 665           HA       ASN 665   5.962   5.220  -0.041
  142   1HB   ASN 665          2HB       ASN 665   4.746   4.962   1.935
  143   2HB   ASN 665          1HB       ASN 665   6.127   4.322   2.818
  144   1HD2  ASN 665          1HD2      ASN 665   6.792   5.649   4.326
  145   2HD2  ASN 665          2HD2      ASN 665   6.817   7.373   4.240
  146    H    CYS 666           H        CYS 666   8.426   4.320   2.384
  147    HA   CYS 666           HA       CYS 666  10.001   6.583   2.128
  148   1HB   CYS 666          2HB       CYS 666  10.698   3.771   2.950
  149   2HB   CYS 666          1HB       CYS 666  11.875   5.078   2.991
  150    H    GLY 667           H        GLY 667  10.712   3.389   0.636
  151   1HA   GLY 667          2HA       GLY 667  11.332   3.176  -1.658
  152   2HA   GLY 667          1HA       GLY 667  11.870   4.848  -1.636
  153    H    ARG 668           H        ARG 668  12.720   2.769   0.998
  154    HA   ARG 668           HA       ARG 668  15.436   2.483  -0.102
  155   1HB   ARG 668          2HB       ARG 668  14.859   4.201   1.900
  156   2HB   ARG 668          1HB       ARG 668  15.164   2.742   2.834
  157   1HG   ARG 668          2HG       ARG 668  17.351   2.540   1.624
  158   2HG   ARG 668          1HG       ARG 668  17.042   4.139   0.947
  159   1HD   ARG 668          2HD       ARG 668  16.605   4.295   3.742
  160   2HD   ARG 668          1HD       ARG 668  18.130   3.448   3.490
  161    HE   ARG 668           HE       ARG 668  19.052   5.393   2.694
  162   1HH1  ARG 668          1HH1      ARG 668  15.587   5.763   2.894
  163   2HH1  ARG 668          2HH1      ARG 668  15.626   7.466   2.584
  164   1HH2  ARG 668          1HH2      ARG 668  19.104   7.632   2.285
  165   2HH2  ARG 668          2HH2      ARG 668  17.622   8.528   2.238
  166    H    LYS 669           H        LYS 669  13.590   1.398   2.756
  167    HA   LYS 669           HA       LYS 669  13.774  -1.352   1.929
  168   1HB   LYS 669          2HB       LYS 669  15.172  -2.185   3.632
  169   2HB   LYS 669          1HB       LYS 669  16.019  -0.784   2.991
  170   1HG   LYS 669          2HG       LYS 669  16.279  -0.426   5.225
  171   2HG   LYS 669          1HG       LYS 669  14.774   0.453   4.951
  172   1HD   LYS 669          2HD       LYS 669  13.865  -2.073   5.448
  173   2HD   LYS 669          1HD       LYS 669  15.281  -1.986   6.498
  174   1HE   LYS 669          2HE       LYS 669  13.410   0.322   6.486
  175   2HE   LYS 669          1HE       LYS 669  12.887  -1.159   7.287
  176   1HZ   LYS 669          1HZ       LYS 669  13.958  -0.205   9.011
  177   2HZ   LYS 669          2HZ       LYS 669  14.988   0.713   8.033
  178   3HZ   LYS 669          3HZ       LYS 669  15.315  -0.925   8.303
  179    H    ALA 670           H        ALA 670  12.490  -2.759   3.180
  180    HA   ALA 670           HA       ALA 670  10.876  -1.569   5.310
  181   1HB   ALA 670          1HB       ALA 670   9.887  -2.394   2.652
  182   2HB   ALA 670          2HB       ALA 670   9.274  -1.169   3.763
  183   3HB   ALA 670          3HB       ALA 670   8.910  -2.872   4.041
  184    H    SER 671           H        SER 671  10.125  -3.019   6.829
  185    HA   SER 671           HA       SER 671  10.955  -5.822   6.453
  186   1HB   SER 671          2HB       SER 671  11.042  -5.677   9.100
  187   2HB   SER 671          1HB       SER 671  12.411  -5.171   8.110
  188    HG   SER 671           HG       SER 671  10.383  -3.447   9.098
  189    H    GLU 672           H        GLU 672   8.306  -3.833   6.808
  190    HA   GLU 672           HA       GLU 672   6.740  -5.946   8.132
  191   1HB   GLU 672          2HB       GLU 672   5.642  -3.199   7.691
  192   2HB   GLU 672          1HB       GLU 672   5.265  -4.359   8.953
  193   1HG   GLU 672          2HG       GLU 672   7.956  -3.055   8.819
  194   2HG   GLU 672          1HG       GLU 672   6.581  -2.244   9.570
  195    H    THR 673           H        THR 673   4.607  -6.387   7.282
  196    HA   THR 673           HA       THR 673   4.287  -5.713   4.442
  197    HB   THR 673           HB       THR 673   4.130  -8.478   5.657
  198    HG1  THR 673           1HG      THR 673   6.221  -7.779   5.109
  199   1HG2  THR 673          1HG2      THR 673   3.988  -8.507   2.813
  200   2HG2  THR 673          2HG2      THR 673   2.674  -7.515   3.446
  201   3HG2  THR 673          3HG2      THR 673   2.863  -9.182   3.991
  202    H    CYS 674           H        CYS 674   2.229  -5.409   3.740
  203    HA   CYS 674           HA       CYS 674   0.213  -4.871   5.654
  204   1HB   CYS 674          2HB       CYS 674   0.302  -3.653   3.554
  205   2HB   CYS 674          1HB       CYS 674   0.081  -5.141   2.643
  206    H    SER 675           H        SER 675  -0.572  -6.527   6.825
  207    HA   SER 675           HA       SER 675  -0.846  -9.177   5.916
  208   1HB   SER 675          2HB       SER 675  -1.986  -9.608   7.999
  209   2HB   SER 675          1HB       SER 675  -0.665  -8.481   8.310
  210    HG   SER 675           HG       SER 675  -3.409  -7.824   7.993
  211    H    GLY 676           H        GLY 676  -2.735  -6.485   5.170
  212   1HA   GLY 676          2HA       GLY 676  -5.278  -7.828   5.026
  213   2HA   GLY 676          1HA       GLY 676  -4.902  -6.232   4.396
  214    H    CYS 677           H        CYS 677  -2.805  -6.855   2.673
  215    HA   CYS 677           HA       CYS 677  -4.192  -8.517   0.675
  216   1HB   CYS 677          2HB       CYS 677  -3.020  -7.140  -1.033
  217   2HB   CYS 677          1HB       CYS 677  -4.130  -6.213  -0.030
  218    H    ASN 678           H        ASN 678  -1.398  -8.238   2.578
  219    HA   ASN 678           HA       ASN 678   0.536  -9.421   2.713
  220   1HB   ASN 678          2HB       ASN 678  -1.352 -11.228   1.349
  221   2HB   ASN 678          1HB       ASN 678   0.348 -11.627   1.119
  222   1HD2  ASN 678          1HD2      ASN 678   1.654 -11.930   3.024
  223   2HD2  ASN 678          2HD2      ASN 678   0.924 -12.524   4.473
  224    H    THR 679           H        THR 679   0.058  -7.450   0.488
  225    HA   THR 679           HA       THR 679   2.201  -8.386  -1.302
  226    HB   THR 679           HB       THR 679  -0.172  -6.635  -1.947
  227    HG1  THR 679           1HG      THR 679  -0.784  -8.332  -3.228
  228   1HG2  THR 679          1HG2      THR 679   0.962  -7.286  -4.341
  229   2HG2  THR 679          2HG2      THR 679   2.370  -6.927  -3.341
  230   3HG2  THR 679          3HG2      THR 679   1.094  -5.723  -3.533
  231    H    ALA 680           H        ALA 680   0.803  -5.631   0.372
  232    HA   ALA 680           HA       ALA 680   2.807  -3.778  -0.475
  233   1HB   ALA 680          1HB       ALA 680   1.648  -2.758   1.840
  234   2HB   ALA 680          2HB       ALA 680   0.376  -3.709   1.073
  235   3HB   ALA 680          3HB       ALA 680   1.175  -2.419   0.175
  236    H    ARG 681           H        ARG 681   4.361  -2.736   0.864
  237    HA   ARG 681           HA       ARG 681   5.182  -4.195   3.269
  238   1HB   ARG 681          2HB       ARG 681   6.933  -3.566   0.890
  239   2HB   ARG 681          1HB       ARG 681   7.575  -3.990   2.470
  240   1HG   ARG 681          2HG       ARG 681   5.583  -5.840   1.316
  241   2HG   ARG 681          1HG       ARG 681   7.163  -5.775   0.531
  242   1HD   ARG 681          2HD       ARG 681   6.792  -6.153   3.495
  243   2HD   ARG 681          1HD       ARG 681   6.924  -7.493   2.355
  244    HE   ARG 681           HE       ARG 681   9.080  -5.576   2.226
  245   1HH1  ARG 681          1HH1      ARG 681   7.921  -8.531   3.682
  246   2HH1  ARG 681          2HH1      ARG 681   9.505  -9.096   4.092
  247   1HH2  ARG 681          1HH2      ARG 681  11.162  -6.318   2.769
  248   2HH2  ARG 681          2HH2      ARG 681  11.344  -7.840   3.576
  249    H    TYR 682           H        TYR 682   6.116  -2.927   4.843
  250    HA   TYR 682           HA       TYR 682   6.899  -0.202   4.247
  251   1HB   TYR 682          2HB       TYR 682   4.545  -0.834   6.036
  252   2HB   TYR 682          1HB       TYR 682   5.369   0.723   6.017
  253    HD1  TYR 682           1HD      TYR 682   2.862  -1.321   4.470
  254    HD2  TYR 682           2HD      TYR 682   5.402   2.035   3.838
  255    HE1  TYR 682           1HE      TYR 682   1.430  -0.595   2.608
  256    HE2  TYR 682           2HE      TYR 682   3.975   2.771   1.976
  257    HH   TYR 682           HH       TYR 682   2.364   1.762   0.379
  258    H    CYS 683           H        CYS 683   8.177   0.738   5.881
  259    HA   CYS 683           HA       CYS 683   9.299  -1.223   7.720
  260   1HB   CYS 683          2HB       CYS 683  11.189   0.245   7.929
  261   2HB   CYS 683          1HB       CYS 683  10.788   0.112   6.221
  262    H    GLY 684           H        GLY 684   7.191   1.500   7.775
  263   1HA   GLY 684          2HA       GLY 684   7.064   1.275  10.684
  264   2HA   GLY 684          1HA       GLY 684   7.472   2.855  10.034
  265    H    SER 685           H        SER 685   5.176   2.024  11.627
  266    HA   SER 685           HA       SER 685   2.817   1.675  10.263
  267   1HB   SER 685          2HB       SER 685   1.811   3.069  12.201
  268   2HB   SER 685          1HB       SER 685   2.660   1.576  12.595
  269    HG   SER 685           HG       SER 685   4.229   2.689  13.502
  270    H    PHE 686           H        PHE 686   4.803   4.519  10.335
  271    HA   PHE 686           HA       PHE 686   2.705   6.292   9.464
  272   1HB   PHE 686          2HB       PHE 686   4.457   7.971   9.246
  273   2HB   PHE 686          1HB       PHE 686   4.608   7.136  10.786
  274    HD1  PHE 686           1HD      PHE 686   6.198   7.958   7.665
  275    HD2  PHE 686           2HD      PHE 686   6.396   5.417  11.074
  276    HE1  PHE 686           1HE      PHE 686   8.555   7.468   7.159
  277    HE2  PHE 686           2HE      PHE 686   8.752   4.920  10.572
  278    HZ   PHE 686           HZ       PHE 686   9.836   5.948   8.613
  279    H    CYS 687           H        CYS 687   5.272   4.421   7.981
  280    HA   CYS 687           HA       CYS 687   5.149   5.557   5.407
  281   1HB   CYS 687          2HB       CYS 687   5.874   2.695   6.030
  282   2HB   CYS 687          1HB       CYS 687   6.427   3.677   4.676
  283    H    GLN 688           H        GLN 688   3.508   2.746   6.809
  284    HA   GLN 688           HA       GLN 688   2.176   1.943   4.471
  285   1HB   GLN 688          2HB       GLN 688   0.565   0.835   6.073
  286   2HB   GLN 688          1HB       GLN 688   2.253   0.379   6.228
  287   1HG   GLN 688          2HG       GLN 688   2.014   0.779   8.396
  288   2HG   GLN 688          1HG       GLN 688   2.028   2.488   7.968
  289   1HE2  GLN 688          1HE2      GLN 688  -0.466   0.074   7.360
  290   2HE2  GLN 688          2HE2      GLN 688  -1.696   0.860   8.274
  291    H    HIS 689           H        HIS 689   1.227   4.170   7.046
  292    HA   HIS 689           HA       HIS 689  -1.370   4.679   6.029
  293   1HB   HIS 689          2HB       HIS 689   0.355   5.773   8.152
  294   2HB   HIS 689          1HB       HIS 689  -0.806   6.912   7.477
  295    HD1  HIS 689           1HD      HIS 689  -1.908   6.772   9.923
  296    HD2  HIS 689           2HD      HIS 689  -2.153   3.340   7.593
  297    HE1  HIS 689           1HE      HIS 689  -3.693   5.361  10.994
  298    HE2  HIS 689           2HE      HIS 689  -3.752   3.245   9.626
  299    H    LYS 690           H        LYS 690   1.766   6.192   5.534
  300    HA   LYS 690           HA       LYS 690   0.969   8.536   4.258
  301   1HB   LYS 690          2HB       LYS 690   3.328   7.663   4.985
  302   2HB   LYS 690          1HB       LYS 690   3.398   7.035   3.347
  303   1HG   LYS 690          2HG       LYS 690   3.091   9.909   4.182
  304   2HG   LYS 690          1HG       LYS 690   4.489   9.160   3.410
  305   1HD   LYS 690          2HD       LYS 690   1.754   9.531   2.191
  306   2HD   LYS 690          1HD       LYS 690   3.208  10.444   1.792
  307   1HE   LYS 690          2HE       LYS 690   3.760   7.647   1.544
  308   2HE   LYS 690          1HE       LYS 690   2.292   8.027   0.650
  309   1HZ   LYS 690          1HZ       LYS 690   4.320   8.265  -0.686
  310   2HZ   LYS 690          2HZ       LYS 690   4.864   9.479   0.359
  311   3HZ   LYS 690          3HZ       LYS 690   3.464   9.719  -0.559
  312    H    ASP 691           H        ASP 691   1.848   5.415   2.789
  313    HA   ASP 691           HA       ASP 691   0.907   6.298   0.195
  314   1HB   ASP 691          2HB       ASP 691   2.363   3.927   1.248
  315   2HB   ASP 691          1HB       ASP 691   1.423   3.707  -0.225
  316    H    TRP 692           H        TRP 692  -0.502   4.961   2.936
  317    HA   TRP 692           HA       TRP 692  -2.243   3.039   2.139
  318   1HB   TRP 692          2HB       TRP 692  -2.102   3.828   4.442
  319   2HB   TRP 692          1HB       TRP 692  -2.853   5.353   3.986
  320    HD1  TRP 692           HD       TRP 692  -5.128   5.272   5.190
  321    HE1  TRP 692           1HE      TRP 692  -7.118   3.637   5.227
  322    HE3  TRP 692           3HE      TRP 692  -3.078   1.420   2.519
  323    HZ2  TRP 692           2HZ      TRP 692  -7.738   1.068   4.252
  324    HZ3  TRP 692           3HZ      TRP 692  -4.437  -0.587   2.115
  325    HH2  TRP 692           HH       TRP 692  -6.719  -0.760   2.966
  326    H    GLU 693           H        GLU 693  -2.708   6.543   1.685
  327    HA   GLU 693           HA       GLU 693  -5.282   6.528   0.707
  328   1HB   GLU 693          2HB       GLU 693  -4.919   8.703   0.362
  329   2HB   GLU 693          1HB       GLU 693  -3.312   8.420   1.011
  330   1HG   GLU 693          2HG       GLU 693  -2.511   8.020  -1.306
  331   2HG   GLU 693          1HG       GLU 693  -4.114   8.469  -1.890
  332    H    LYS 694           H        LYS 694  -2.274   5.905  -1.054
  333    HA   LYS 694           HA       LYS 694  -3.713   5.505  -3.537
  334   1HB   LYS 694          2HB       LYS 694  -0.799   5.360  -2.787
  335   2HB   LYS 694          1HB       LYS 694  -1.385   4.905  -4.382
  336   1HG   LYS 694          2HG       LYS 694  -2.199   7.131  -4.775
  337   2HG   LYS 694          1HG       LYS 694  -1.792   7.610  -3.126
  338   1HD   LYS 694          2HD       LYS 694   0.185   6.708  -5.219
  339   2HD   LYS 694          1HD       LYS 694  -0.124   8.384  -4.763
  340   1HE   LYS 694          2HE       LYS 694   0.527   7.784  -2.427
  341   2HE   LYS 694          1HE       LYS 694   1.003   6.196  -3.025
  342   1HZ   LYS 694          1HZ       LYS 694   2.848   7.016  -3.993
  343   2HZ   LYS 694          2HZ       LYS 694   2.674   8.246  -2.846
  344   3HZ   LYS 694          3HZ       LYS 694   2.125   8.482  -4.428
  345    H    HIS 695           H        HIS 695  -1.754   3.563  -1.299
  346    HA   HIS 695           HA       HIS 695  -1.893   1.142  -2.640
  347   1HB   HIS 695          2HB       HIS 695  -0.377   1.513  -0.778
  348   2HB   HIS 695          1HB       HIS 695  -1.736   1.649   0.334
  349    HD1  HIS 695           1HD      HIS 695  -0.845  -1.026  -2.248
  350    HD2  HIS 695           2HD      HIS 695  -1.798  -0.598   1.772
  351    HE1  HIS 695           1HE      HIS 695  -0.945  -3.363  -1.294
  352    H    HIS 696           H        HIS 696  -4.162   2.465  -0.239
  353    HA   HIS 696           HA       HIS 696  -5.720   0.215   0.104
  354   1HB   HIS 696          2HB       HIS 696  -7.408   1.583   1.031
  355   2HB   HIS 696          1HB       HIS 696  -5.869   2.317   1.447
  356    HD1  HIS 696           1HD      HIS 696  -8.327   2.768  -1.448
  357    HD2  HIS 696           2HD      HIS 696  -6.081   4.961   1.265
  358    HE1  HIS 696           1HE      HIS 696  -8.856   5.181  -1.924
  359    HE2  HIS 696           2HE      HIS 696  -7.560   6.481  -0.207
  360    H    HIS 697           H        HIS 697  -5.653   2.354  -2.665
  361    HA   HIS 697           HA       HIS 697  -8.184   1.711  -3.737
  362   1HB   HIS 697          2HB       HIS 697  -5.627   2.342  -5.232
  363   2HB   HIS 697          1HB       HIS 697  -7.255   2.417  -5.890
  364    HD1  HIS 697           1HD      HIS 697  -8.742   4.110  -3.924
  365    HD2  HIS 697           2HD      HIS 697  -4.812   4.883  -5.021
  366    HE1  HIS 697           1HE      HIS 697  -8.385   6.559  -3.472
  367    HE2  HIS 697           2HE      HIS 697  -6.035   7.024  -4.245
  368    H    ILE 698           H        ILE 698  -5.190  -0.043  -3.516
  369    HA   ILE 698           HA       ILE 698  -6.247  -2.104  -5.332
  370    HB   ILE 698           HB       ILE 698  -3.502  -2.606  -4.723
  371   1HG1  ILE 698          2HG1      ILE 698  -3.144  -0.289  -6.305
  372   2HG1  ILE 698          1HG1      ILE 698  -4.080   0.205  -4.903
  373   1HG2  ILE 698          1HG2      ILE 698  -5.156  -3.014  -6.784
  374   2HG2  ILE 698          2HG2      ILE 698  -3.398  -3.089  -6.915
  375   3HG2  ILE 698          3HG2      ILE 698  -4.257  -1.625  -7.395
  376   1HD1  ILE 698          1HD1      ILE 698  -1.702   0.465  -4.517
  377   2HD1  ILE 698          2HD1      ILE 698  -1.454  -1.252  -4.835
  378   3HD1  ILE 698          3HD1      ILE 698  -2.393  -0.741  -3.433
  379    H    CYS 699           H        CYS 699  -5.810  -1.446  -2.108
  380    HA   CYS 699           HA       CYS 699  -4.889  -3.960  -1.159
  381   1HB   CYS 699          2HB       CYS 699  -5.083  -1.632   0.046
  382   2HB   CYS 699          1HB       CYS 699  -6.678  -2.225   0.496
  383    H    GLY 700           H        GLY 700  -5.934  -5.811  -0.714
  384   1HA   GLY 700          2HA       GLY 700  -7.860  -7.061  -0.051
  385   2HA   GLY 700          1HA       GLY 700  -8.874  -5.808  -0.749
  386    H    GLN 701           H        GLN 701  -6.755  -5.990  -3.080
  387    HA   GLN 701           HA       GLN 701  -6.639  -6.976  -5.123
  388   1HB   GLN 701          2HB       GLN 701  -7.185  -9.244  -3.296
  389   2HB   GLN 701          1HB       GLN 701  -7.487  -9.535  -5.004
  390   1HG   GLN 701          2HG       GLN 701  -5.168  -8.742  -5.468
  391   2HG   GLN 701          1HG       GLN 701  -4.900  -8.691  -3.727
  392   1HE2  GLN 701          1HE2      GLN 701  -3.228 -10.228  -4.006
  393   2HE2  GLN 701          2HE2      GLN 701  -3.590 -11.903  -4.223
  394    H    THR 702           H        THR 702  -7.928  -7.534  -6.939
  395    HA   THR 702           HA       THR 702 -10.529  -6.469  -6.894
  396    HB   THR 702           HB       THR 702  -9.232  -6.448  -8.929
  397    HG1  THR 702           1HG      THR 702 -11.148  -6.505  -9.771
  398   1HG2  THR 702          1HG2      THR 702  -9.559  -9.248  -9.650
  399   2HG2  THR 702          2HG2      THR 702  -8.434  -8.988  -8.316
  400   3HG2  THR 702          3HG2      THR 702  -8.179  -8.171  -9.858
  401    H    LEU 703           H        LEU 703  -9.338  -9.778  -6.721
  402    HA   LEU 703           HA       LEU 703 -12.047 -10.843  -6.713
  403   1HB   LEU 703          2HB       LEU 703  -9.361 -12.206  -6.515
  404   2HB   LEU 703          1HB       LEU 703 -10.900 -13.046  -6.541
  405    HG   LEU 703           HG       LEU 703 -11.097 -11.557  -8.809
  406   1HD1  LEU 703          1HD1      LEU 703  -8.553 -11.039  -8.196
  407   2HD1  LEU 703          2HD1      LEU 703  -9.126 -11.185  -9.858
  408   3HD1  LEU 703          3HD1      LEU 703  -8.325 -12.550  -9.079
  409   1HD2  LEU 703          1HD2      LEU 703 -10.032 -13.794  -9.820
  410   2HD2  LEU 703          2HD2      LEU 703 -11.656 -13.725  -9.137
  411   3HD2  LEU 703          3HD2      LEU 703 -10.315 -14.333  -8.165
  412    H    GLN 704           H        GLN 704 -12.919 -12.054  -4.988
  413    HA   GLN 704           HA       GLN 704 -11.897 -11.224  -2.371
  414   1HB   GLN 704          2HB       GLN 704 -14.563 -12.482  -3.036
  415   2HB   GLN 704          1HB       GLN 704 -14.099 -11.743  -1.510
  416   1HG   GLN 704          2HG       GLN 704 -14.208  -9.594  -2.367
  417   2HG   GLN 704          1HG       GLN 704 -14.068 -10.147  -4.035
  418   1HE2  GLN 704          1HE2      GLN 704 -16.202  -9.981  -1.255
  419   2HE2  GLN 704          2HE2      GLN 704 -17.679 -10.102  -2.144
  420    H    ALA 705           H        ALA 705 -11.123 -12.629  -0.907
  421    HA   ALA 705           HA       ALA 705 -11.129 -15.480  -1.643
  422   1HB   ALA 705          1HB       ALA 705  -8.912 -14.379  -1.578
  423   2HB   ALA 705          2HB       ALA 705  -9.062 -15.709  -0.429
  424   3HB   ALA 705          3HB       ALA 705  -9.164 -14.042   0.136
  425    H    GLN 706           H        GLN 706 -12.125 -16.888  -0.351
  426    HA   GLN 706           HA       GLN 706 -12.607 -16.170   2.450
  427   1HB   GLN 706          2HB       GLN 706 -14.927 -17.040   2.270
  428   2HB   GLN 706          1HB       GLN 706 -14.658 -15.583   1.323
  429   1HG   GLN 706          2HG       GLN 706 -14.137 -17.936  -0.252
  430   2HG   GLN 706          1HG       GLN 706 -15.752 -17.993   0.456
  431   1HE2  GLN 706          1HE2      GLN 706 -16.844 -15.713   0.339
  432   2HE2  GLN 706          2HE2      GLN 706 -16.809 -14.984  -1.227
  433    H    GLN 707           H        GLN 707 -12.413 -17.828   3.863
  434    HA   GLN 707           HA       GLN 707 -12.542 -20.577   2.970
  435   1HB   GLN 707          2HB       GLN 707 -10.212 -19.877   2.442
  436   2HB   GLN 707          1HB       GLN 707  -9.973 -19.498   4.142
  437   1HG   GLN 707          2HG       GLN 707  -9.683 -21.641   4.711
  438   2HG   GLN 707          1HG       GLN 707 -10.966 -22.203   3.640
  439   1HE2  GLN 707          1HE2      GLN 707  -7.908 -22.713   4.224
  440   2HE2  GLN 707          2HE2      GLN 707  -7.282 -22.974   2.635
  Start of MODEL   21
    1    H    THR1101           H        THR1101  -8.926  12.062   7.648
    2    HA   THR1101           HA       THR1101 -10.911  11.668   6.254
    3    HB   THR1101           HB       THR1101  -9.352  11.600   4.139
    4    HG1  THR1101           1HG      THR1101  -7.421  10.992   4.694
    5   1HG2  THR1101          1HG2      THR1101  -8.359  13.890   4.877
    6   2HG2  THR1101          2HG2      THR1101  -9.445  13.693   6.252
    7   3HG2  THR1101          3HG2      THR1101 -10.094  13.713   4.612
    8    H    ILE1102           H        ILE1102  -8.306   9.287   5.702
    9    HA   ILE1102           HA       ILE1102 -10.202   7.527   4.359
   10    HB   ILE1102           HB       ILE1102  -7.271   7.005   4.826
   11   1HG1  ILE1102          2HG1      ILE1102  -8.579   8.397   2.477
   12   2HG1  ILE1102          1HG1      ILE1102  -7.539   9.163   3.675
   13   1HG2  ILE1102          1HG2      ILE1102  -9.333   5.888   2.944
   14   2HG2  ILE1102          2HG2      ILE1102  -8.390   5.033   4.167
   15   3HG2  ILE1102          3HG2      ILE1102  -7.600   5.651   2.716
   16   1HD1  ILE1102          1HD1      ILE1102  -6.852   7.589   1.322
   17   2HD1  ILE1102          2HD1      ILE1102  -5.969   7.123   2.776
   18   3HD1  ILE1102          3HD1      ILE1102  -5.910   8.791   2.205
   19    H    SER1103           H        SER1103 -10.292   5.235   4.919
   20    HA   SER1103           HA       SER1103 -10.818   4.844   7.667
   21   1HB   SER1103          2HB       SER1103 -11.949   3.616   5.805
   22   2HB   SER1103          1HB       SER1103 -10.456   2.713   5.549
   23    HG   SER1103           HG       SER1103 -12.270   1.902   7.053
   24    H    ASN1104           H        ASN1104  -9.887   2.712   8.716
   25    HA   ASN1104           HA       ASN1104  -7.011   3.148   8.901
   26   1HB   ASN1104          2HB       ASN1104  -8.946   1.596  10.626
   27   2HB   ASN1104          1HB       ASN1104  -7.209   1.642  10.912
   28   1HD2  ASN1104          1HD2      ASN1104 -10.151   3.524  10.845
   29   2HD2  ASN1104          2HD2      ASN1104  -9.569   4.828  11.816
   30    HA   PRO1105           HA       PRO1105  -6.449  -0.471   6.289
   31   1HB   PRO1105          2HB       PRO1105  -3.731  -0.433   6.305
   32   2HB   PRO1105          1HB       PRO1105  -4.704   0.642   5.295
   33   1HG   PRO1105          2HG       PRO1105  -3.382   1.193   7.923
   34   2HG   PRO1105          1HG       PRO1105  -3.455   2.211   6.473
   35   1HD   PRO1105          2HD       PRO1105  -5.066   2.612   8.609
   36   2HD   PRO1105          1HD       PRO1105  -5.588   2.952   6.946
   37    HA   PRO1106           HA       PRO1106  -5.967  -3.835   9.108
   38   1HB   PRO1106          2HB       PRO1106  -4.235  -5.044   7.003
   39   2HB   PRO1106          1HB       PRO1106  -5.639  -5.725   7.834
   40   1HG   PRO1106          2HG       PRO1106  -5.843  -4.856   5.329
   41   2HG   PRO1106          1HG       PRO1106  -7.152  -4.583   6.495
   42   1HD   PRO1106          2HD       PRO1106  -5.113  -2.671   5.449
   43   2HD   PRO1106          1HD       PRO1106  -6.815  -2.390   5.870
   44    HA   PRO1107           HA       PRO1107  -2.059  -3.534  11.131
   45   1HB   PRO1107          2HB       PRO1107  -1.593  -6.058  12.015
   46   2HB   PRO1107          1HB       PRO1107  -2.829  -5.006  12.718
   47   1HG   PRO1107          2HG       PRO1107  -3.132  -7.208  10.711
   48   2HG   PRO1107          1HG       PRO1107  -4.137  -6.837  12.124
   49   1HD   PRO1107          2HD       PRO1107  -4.844  -6.127   9.610
   50   2HD   PRO1107          1HD       PRO1107  -5.274  -5.154  11.031
   51    H    LEU1108           H        LEU1108   0.189  -4.073  11.055
   52    HA   LEU1108           HA       LEU1108   0.993  -5.123   8.446
   53   1HB   LEU1108          2HB       LEU1108   2.119  -3.204  10.385
   54   2HB   LEU1108          1HB       LEU1108   3.293  -4.212   9.563
   55    HG   LEU1108           HG       LEU1108   2.506  -3.420   7.397
   56   1HD1  LEU1108          1HD1      LEU1108   0.310  -2.899   7.401
   57   2HD1  LEU1108          2HD1      LEU1108   0.930  -1.278   7.720
   58   3HD1  LEU1108          3HD1      LEU1108   0.347  -2.277   9.052
   59   1HD2  LEU1108          1HD2      LEU1108   3.033  -1.145   9.306
   60   2HD2  LEU1108          2HD2      LEU1108   3.260  -1.112   7.558
   61   3HD2  LEU1108          3HD2      LEU1108   4.263  -2.163   8.558
   62    H    ILE1109           H        ILE1109   2.502  -6.770   8.198
   63    HA   ILE1109           HA       ILE1109   3.001  -8.377  10.617
   64    HB   ILE1109           HB       ILE1109   3.303 -10.238   8.739
   65   1HG1  ILE1109          2HG1      ILE1109   1.138  -8.500   7.552
   66   2HG1  ILE1109          1HG1      ILE1109   2.784  -8.553   6.934
   67   1HG2  ILE1109          1HG2      ILE1109   1.622  -9.925  10.725
   68   2HG2  ILE1109          2HG2      ILE1109   1.316 -11.127   9.472
   69   3HG2  ILE1109          3HG2      ILE1109   0.480  -9.574   9.427
   70   1HD1  ILE1109          1HD1      ILE1109   0.963 -10.006   5.830
   71   2HD1  ILE1109          2HD1      ILE1109   1.210 -11.069   7.216
   72   3HD1  ILE1109          3HD1      ILE1109   2.554 -10.702   6.135
   73    H    SER1110           H        SER1110   5.056  -8.584  11.193
   74    HA   SER1110           HA       SER1110   7.151  -7.695   9.397
   75   1HB   SER1110          2HB       SER1110   8.489  -8.506  11.607
   76   2HB   SER1110          1HB       SER1110   7.755  -6.911  11.446
   77    HG   SER1110           HG       SER1110   6.629  -7.457  13.125
   78    H    SER1111           H        SER1111   8.434  -8.973   8.233
   79    HA   SER1111           HA       SER1111   8.497 -11.847   8.876
   80   1HB   SER1111          2HB       SER1111   8.646 -12.309   6.457
   81   2HB   SER1111          1HB       SER1111   7.151 -11.464   6.862
   82    HG   SER1111           HG       SER1111   7.999  -9.589   6.039
   83    H    ALA1112           H        ALA1112  10.452 -12.281   9.657
   84    HA   ALA1112           HA       ALA1112  12.790 -11.327   8.156
   85   1HB   ALA1112          1HB       ALA1112  13.993 -10.918  10.263
   86   2HB   ALA1112          2HB       ALA1112  12.512 -11.258  11.159
   87   3HB   ALA1112          3HB       ALA1112  12.590  -9.866  10.079
   88    H    LYS1113           H        LYS1113  12.683 -13.494   7.263
   89    HA   LYS1113           HA       LYS1113  12.858 -15.836   8.794
   90   1HB   LYS1113          2HB       LYS1113  13.983 -15.351   6.029
   91   2HB   LYS1113          1HB       LYS1113  13.630 -16.917   6.747
   92   1HG   LYS1113          2HG       LYS1113  11.216 -15.805   6.973
   93   2HG   LYS1113          1HG       LYS1113  11.808 -14.909   5.574
   94   1HD   LYS1113          2HD       LYS1113  12.537 -17.503   5.003
   95   2HD   LYS1113          1HD       LYS1113  10.973 -17.695   5.798
   96   1HE   LYS1113          2HE       LYS1113  10.037 -16.002   4.238
   97   2HE   LYS1113          1HE       LYS1113  11.586 -15.980   3.396
   98   1HZ   LYS1113          1HZ       LYS1113  11.049 -18.592   3.415
   99   2HZ   LYS1113          2HZ       LYS1113  10.611 -17.555   2.152
  100   3HZ   LYS1113          3HZ       LYS1113   9.478 -17.967   3.339
  101    H    ASP 658           H        ASP 658   8.726 -15.286  -3.634
  102    HA   ASP 658           HA       ASP 658   7.463 -12.679  -4.167
  103   1HB   ASP 658          2HB       ASP 658   6.155 -14.842  -3.300
  104   2HB   ASP 658          1HB       ASP 658   6.726 -14.244  -1.745
  105    H    SER 659           H        SER 659  10.211 -12.852  -3.644
  106    HA   SER 659           HA       SER 659  10.439 -11.916  -0.866
  107   1HB   SER 659          2HB       SER 659  12.291 -13.304  -2.727
  108   2HB   SER 659          1HB       SER 659  13.008 -12.119  -1.636
  109    HG   SER 659           HG       SER 659  13.003 -14.037  -0.552
  110    H    SER 660           H        SER 660  10.243  -9.784  -0.700
  111    HA   SER 660           HA       SER 660  11.847  -8.089  -2.461
  112   1HB   SER 660          2HB       SER 660   8.947  -7.477  -1.857
  113   2HB   SER 660          1HB       SER 660  10.030  -6.566  -2.909
  114    HG   SER 660           HG       SER 660   9.108  -9.220  -3.319
  115    H    GLU 661           H        GLU 661  12.782  -6.401  -1.438
  116    HA   GLU 661           HA       GLU 661  11.870  -5.763   1.285
  117   1HB   GLU 661          2HB       GLU 661  14.640  -6.429   0.343
  118   2HB   GLU 661          1HB       GLU 661  14.404  -5.376   1.731
  119   1HG   GLU 661          2HG       GLU 661  13.037  -7.179   2.775
  120   2HG   GLU 661          1HG       GLU 661  13.496  -8.227   1.433
  121    H    SER 662           H        SER 662  10.857  -3.884   0.584
  122    HA   SER 662           HA       SER 662  12.472  -1.572   0.470
  123   1HB   SER 662          2HB       SER 662  11.470  -0.937  -1.901
  124   2HB   SER 662          1HB       SER 662  12.991  -1.818  -1.755
  125    HG   SER 662           HG       SER 662  11.848  -3.739  -2.119
  126    H    CYS 663           H        CYS 663  11.320   0.027   1.331
  127    HA   CYS 663           HA       CYS 663   8.595  -0.305   2.001
  128   1HB   CYS 663          2HB       CYS 663  10.428   1.093   3.168
  129   2HB   CYS 663          1HB       CYS 663  10.016   2.340   2.000
  130    H    TRP 664           H        TRP 664   6.815   0.134   0.883
  131    HA   TRP 664           HA       TRP 664   6.882   1.037  -1.781
  132   1HB   TRP 664          2HB       TRP 664   4.621   0.702   0.186
  133   2HB   TRP 664          1HB       TRP 664   4.358   1.223  -1.474
  134    HD1  TRP 664           HD       TRP 664   6.917  -1.500  -0.611
  135    HE1  TRP 664           1HE      TRP 664   6.122  -3.724  -1.640
  136    HE3  TRP 664           3HE      TRP 664   2.293  -0.042  -2.259
  137    HZ2  TRP 664           2HZ      TRP 664   3.850  -4.726  -2.967
  138    HZ3  TRP 664           3HZ      TRP 664   0.876  -1.701  -3.397
  139    HH2  TRP 664           HH       TRP 664   1.638  -3.989  -3.743
  140    H    ASN 665           H        ASN 665   6.802   2.748   1.191
  141    HA   ASN 665           HA       ASN 665   5.894   5.218  -0.107
  142   1HB   ASN 665          2HB       ASN 665   4.686   4.976   1.866
  143   2HB   ASN 665          1HB       ASN 665   6.051   4.286   2.737
  144   1HD2  ASN 665          1HD2      ASN 665   6.642   5.568   4.317
  145   2HD2  ASN 665          2HD2      ASN 665   6.739   7.291   4.257
  146    H    CYS 666           H        CYS 666   8.378   4.336   2.307
  147    HA   CYS 666           HA       CYS 666   9.934   6.613   2.029
  148   1HB   CYS 666          2HB       CYS 666  10.676   3.816   2.872
  149   2HB   CYS 666          1HB       CYS 666  11.812   5.158   2.928
  150    H    GLY 667           H        GLY 667  10.678   3.405   0.583
  151   1HA   GLY 667          2HA       GLY 667  11.303   3.160  -1.705
  152   2HA   GLY 667          1HA       GLY 667  11.814   4.841  -1.714
  153    H    ARG 668           H        ARG 668  12.691   2.788   0.941
  154    HA   ARG 668           HA       ARG 668  15.415   2.543  -0.146
  155   1HB   ARG 668          2HB       ARG 668  15.027   4.350   1.670
  156   2HB   ARG 668          1HB       ARG 668  14.897   2.992   2.779
  157   1HG   ARG 668          2HG       ARG 668  17.185   2.321   1.601
  158   2HG   ARG 668          1HG       ARG 668  17.259   4.069   1.361
  159   1HD   ARG 668          2HD       ARG 668  16.844   2.673   4.004
  160   2HD   ARG 668          1HD       ARG 668  18.363   3.371   3.442
  161    HE   ARG 668           HE       ARG 668  16.308   5.315   3.393
  162   1HH1  ARG 668          1HH1      ARG 668  18.365   3.569   5.607
  163   2HH1  ARG 668          2HH1      ARG 668  18.337   4.813   6.810
  164   1HH2  ARG 668          1HH2      ARG 668  16.270   6.952   4.974
  165   2HH2  ARG 668          2HH2      ARG 668  17.147   6.734   6.452
  166    H    LYS 669           H        LYS 669  13.441   1.432   2.618
  167    HA   LYS 669           HA       LYS 669  13.700  -1.308   1.858
  168   1HB   LYS 669          2HB       LYS 669  15.119  -2.121   3.564
  169   2HB   LYS 669          1HB       LYS 669  15.959  -0.745   2.864
  170   1HG   LYS 669          2HG       LYS 669  16.277  -0.331   5.081
  171   2HG   LYS 669          1HG       LYS 669  14.775   0.557   4.816
  172   1HD   LYS 669          2HD       LYS 669  13.863  -1.955   5.401
  173   2HD   LYS 669          1HD       LYS 669  15.294  -1.832   6.429
  174   1HE   LYS 669          2HE       LYS 669  14.425   0.325   7.291
  175   2HE   LYS 669          1HE       LYS 669  12.961   0.078   6.341
  176   1HZ   LYS 669          1HZ       LYS 669  12.327  -1.720   7.649
  177   2HZ   LYS 669          2HZ       LYS 669  12.930  -0.614   8.778
  178   3HZ   LYS 669          3HZ       LYS 669  13.873  -1.935   8.301
  179    H    ALA 670           H        ALA 670  12.475  -2.727   3.178
  180    HA   ALA 670           HA       ALA 670  10.891  -1.530   5.319
  181   1HB   ALA 670          1HB       ALA 670   9.879  -1.909   2.701
  182   2HB   ALA 670          2HB       ALA 670   9.021  -1.360   4.140
  183   3HB   ALA 670          3HB       ALA 670   9.092  -3.080   3.758
  184    H    SER 671           H        SER 671  10.148  -2.982   6.847
  185    HA   SER 671           HA       SER 671  11.014  -5.775   6.484
  186   1HB   SER 671          2HB       SER 671  11.052  -5.564   9.154
  187   2HB   SER 671          1HB       SER 671  12.448  -5.165   8.155
  188    HG   SER 671           HG       SER 671  10.734  -3.501   9.571
  189    H    GLU 672           H        GLU 672   8.336  -3.837   6.793
  190    HA   GLU 672           HA       GLU 672   6.798  -5.947   8.154
  191   1HB   GLU 672          2HB       GLU 672   5.711  -3.197   7.642
  192   2HB   GLU 672          1HB       GLU 672   5.250  -4.357   8.877
  193   1HG   GLU 672          2HG       GLU 672   8.017  -3.437   9.090
  194   2HG   GLU 672          1HG       GLU 672   6.812  -2.164   9.277
  195    H    THR 673           H        THR 673   4.665  -6.421   7.306
  196    HA   THR 673           HA       THR 673   4.374  -5.845   4.439
  197    HB   THR 673           HB       THR 673   4.159  -8.556   5.767
  198    HG1  THR 673           1HG      THR 673   6.245  -8.192   5.276
  199   1HG2  THR 673          1HG2      THR 673   2.426  -8.199   3.994
  200   2HG2  THR 673          2HG2      THR 673   3.567  -9.507   3.680
  201   3HG2  THR 673          3HG2      THR 673   3.747  -7.962   2.850
  202    H    CYS 674           H        CYS 674   2.325  -5.533   3.714
  203    HA   CYS 674           HA       CYS 674   0.303  -4.933   5.617
  204   1HB   CYS 674          2HB       CYS 674   0.442  -3.705   3.527
  205   2HB   CYS 674          1HB       CYS 674   0.196  -5.182   2.603
  206    H    SER 675           H        SER 675  -0.642  -6.513   6.746
  207    HA   SER 675           HA       SER 675  -0.939  -9.175   5.838
  208   1HB   SER 675          2HB       SER 675  -1.980  -9.616   7.908
  209   2HB   SER 675          1HB       SER 675  -0.835  -8.320   8.254
  210    HG   SER 675           HG       SER 675  -2.445  -7.074   8.766
  211    H    GLY 676           H        GLY 676  -2.713  -6.423   5.046
  212   1HA   GLY 676          2HA       GLY 676  -5.310  -7.632   4.858
  213   2HA   GLY 676          1HA       GLY 676  -4.825  -6.090   4.166
  214    H    CYS 677           H        CYS 677  -2.851  -6.725   2.438
  215    HA   CYS 677           HA       CYS 677  -4.211  -8.521   0.546
  216   1HB   CYS 677          2HB       CYS 677  -3.080  -7.246  -1.239
  217   2HB   CYS 677          1HB       CYS 677  -4.111  -6.222  -0.245
  218    H    ASN 678           H        ASN 678  -1.475  -8.226   2.496
  219    HA   ASN 678           HA       ASN 678   0.435  -9.431   2.724
  220   1HB   ASN 678          2HB       ASN 678  -1.269 -11.265   1.076
  221   2HB   ASN 678          1HB       ASN 678   0.409 -11.692   1.399
  222   1HD2  ASN 678          1HD2      ASN 678   1.001 -12.354   3.409
  223   2HD2  ASN 678          2HD2      ASN 678  -0.121 -12.631   4.695
  224    H    THR 679           H        THR 679   0.072  -7.484   0.468
  225    HA   THR 679           HA       THR 679   2.267  -8.460  -1.235
  226    HB   THR 679           HB       THR 679  -0.059  -6.688  -1.988
  227    HG1  THR 679           1HG      THR 679   0.705  -9.271  -2.874
  228   1HG2  THR 679          1HG2      THR 679   2.352  -7.487  -3.588
  229   2HG2  THR 679          2HG2      THR 679   1.749  -5.863  -3.257
  230   3HG2  THR 679          3HG2      THR 679   0.841  -6.942  -4.317
  231    H    ALA 680           H        ALA 680   0.835  -5.680   0.369
  232    HA   ALA 680           HA       ALA 680   2.830  -3.820  -0.447
  233   1HB   ALA 680          1HB       ALA 680   1.254  -2.438   0.266
  234   2HB   ALA 680          2HB       ALA 680   1.645  -2.891   1.925
  235   3HB   ALA 680          3HB       ALA 680   0.391  -3.765   1.044
  236    H    ARG 681           H        ARG 681   4.376  -2.768   0.890
  237    HA   ARG 681           HA       ARG 681   5.245  -4.235   3.274
  238   1HB   ARG 681          2HB       ARG 681   7.015  -3.503   0.932
  239   2HB   ARG 681          1HB       ARG 681   7.608  -4.075   2.486
  240   1HG   ARG 681          2HG       ARG 681   5.628  -5.715   0.976
  241   2HG   ARG 681          1HG       ARG 681   7.327  -5.726   0.496
  242   1HD   ARG 681          2HD       ARG 681   6.526  -6.168   3.348
  243   2HD   ARG 681          1HD       ARG 681   6.499  -7.493   2.185
  244    HE   ARG 681           HE       ARG 681   8.981  -6.028   2.271
  245   1HH1  ARG 681          1HH1      ARG 681   7.162  -8.702   3.587
  246   2HH1  ARG 681          2HH1      ARG 681   8.570  -9.555   4.125
  247   1HH2  ARG 681          1HH2      ARG 681  10.831  -7.151   2.977
  248   2HH2  ARG 681          2HH2      ARG 681  10.652  -8.675   3.778
  249    H    TYR 682           H        TYR 682   6.190  -2.957   4.850
  250    HA   TYR 682           HA       TYR 682   6.895  -0.208   4.254
  251   1HB   TYR 682          2HB       TYR 682   4.615  -0.916   6.109
  252   2HB   TYR 682          1HB       TYR 682   5.391   0.664   6.065
  253    HD1  TYR 682           1HD      TYR 682   5.322   1.964   3.872
  254    HD2  TYR 682           2HD      TYR 682   2.877  -1.435   4.626
  255    HE1  TYR 682           1HE      TYR 682   3.802   2.665   2.071
  256    HE2  TYR 682           2HE      TYR 682   1.351  -0.744   2.826
  257    HH   TYR 682           HH       TYR 682   2.136   1.548   0.528
  258    H    CYS 683           H        CYS 683   8.208   0.741   5.837
  259    HA   CYS 683           HA       CYS 683   9.408  -1.185   7.660
  260   1HB   CYS 683          2HB       CYS 683  11.264   0.327   7.833
  261   2HB   CYS 683          1HB       CYS 683  10.835   0.190   6.134
  262    H    GLY 684           H        GLY 684   7.232   1.487   7.738
  263   1HA   GLY 684          2HA       GLY 684   7.117   1.248  10.643
  264   2HA   GLY 684          1HA       GLY 684   7.500   2.839  10.003
  265    H    SER 685           H        SER 685   5.185   1.934  11.567
  266    HA   SER 685           HA       SER 685   2.858   1.540  10.188
  267   1HB   SER 685          2HB       SER 685   1.689   2.552  12.046
  268   2HB   SER 685          1HB       SER 685   3.081   1.670  12.673
  269    HG   SER 685           HG       SER 685   4.177   3.799  12.549
  270    H    PHE 686           H        PHE 686   4.590   4.593  10.610
  271    HA   PHE 686           HA       PHE 686   2.604   6.259   9.504
  272   1HB   PHE 686          2HB       PHE 686   4.354   7.933   9.281
  273   2HB   PHE 686          1HB       PHE 686   4.497   7.116  10.833
  274    HD1  PHE 686           1HD      PHE 686   6.284   5.407  11.154
  275    HD2  PHE 686           2HD      PHE 686   6.101   7.892   7.704
  276    HE1  PHE 686           1HE      PHE 686   8.643   4.903  10.671
  277    HE2  PHE 686           2HE      PHE 686   8.459   7.391   7.214
  278    HZ   PHE 686           HZ       PHE 686   9.733   5.894   8.699
  279    H    CYS 687           H        CYS 687   5.198   4.370   8.055
  280    HA   CYS 687           HA       CYS 687   5.070   5.492   5.473
  281   1HB   CYS 687          2HB       CYS 687   5.798   2.633   6.106
  282   2HB   CYS 687          1HB       CYS 687   6.348   3.609   4.748
  283    H    GLN 688           H        GLN 688   3.386   2.761   6.946
  284    HA   GLN 688           HA       GLN 688   2.075   1.866   4.633
  285   1HB   GLN 688          2HB       GLN 688   1.597   0.251   6.105
  286   2HB   GLN 688          1HB       GLN 688   2.048   1.285   7.448
  287   1HG   GLN 688          2HG       GLN 688  -0.148   0.595   7.876
  288   2HG   GLN 688          1HG       GLN 688  -0.282   2.258   7.313
  289   1HE2  GLN 688          1HE2      GLN 688  -0.656  -1.106   6.395
  290   2HE2  GLN 688          2HE2      GLN 688  -1.773  -0.829   5.107
  291    H    HIS 689           H        HIS 689   1.109   4.186   7.127
  292    HA   HIS 689           HA       HIS 689  -1.449   4.736   6.043
  293   1HB   HIS 689          2HB       HIS 689   0.305   5.976   8.104
  294   2HB   HIS 689          1HB       HIS 689  -1.018   6.943   7.462
  295    HD1  HIS 689           1HD      HIS 689  -1.602   6.594  10.185
  296    HD2  HIS 689           2HD      HIS 689  -2.283   3.430   7.580
  297    HE1  HIS 689           1HE      HIS 689  -3.229   5.085  11.369
  298    HE2  HIS 689           2HE      HIS 689  -3.557   3.134   9.811
  299    H    LYS 690           H        LYS 690   1.726   6.187   5.588
  300    HA   LYS 690           HA       LYS 690   0.988   8.522   4.260
  301   1HB   LYS 690          2HB       LYS 690   3.323   7.607   5.046
  302   2HB   LYS 690          1HB       LYS 690   3.417   7.000   3.400
  303   1HG   LYS 690          2HG       LYS 690   3.139   9.862   4.276
  304   2HG   LYS 690          1HG       LYS 690   4.524   9.108   3.489
  305   1HD   LYS 690          2HD       LYS 690   1.791   9.512   2.276
  306   2HD   LYS 690          1HD       LYS 690   3.236  10.450   1.909
  307   1HE   LYS 690          2HE       LYS 690   3.769   7.639   1.598
  308   2HE   LYS 690          1HE       LYS 690   2.351   8.100   0.658
  309   1HZ   LYS 690          1HZ       LYS 690   4.069   8.517  -0.792
  310   2HZ   LYS 690          2HZ       LYS 690   5.123   9.055   0.416
  311   3HZ   LYS 690          3HZ       LYS 690   3.851  10.044  -0.096
  312    H    ASP 691           H        ASP 691   1.859   5.368   2.855
  313    HA   ASP 691           HA       ASP 691   0.985   6.225   0.228
  314   1HB   ASP 691          2HB       ASP 691   2.386   3.851   1.346
  315   2HB   ASP 691          1HB       ASP 691   1.473   3.621  -0.142
  316    H    TRP 692           H        TRP 692  -0.500   4.958   2.958
  317    HA   TRP 692           HA       TRP 692  -2.250   3.042   2.159
  318   1HB   TRP 692          2HB       TRP 692  -2.147   3.873   4.451
  319   2HB   TRP 692          1HB       TRP 692  -2.873   5.396   3.950
  320    HD1  TRP 692           HD       TRP 692  -5.183   5.361   5.090
  321    HE1  TRP 692           1HE      TRP 692  -7.187   3.740   5.106
  322    HE3  TRP 692           3HE      TRP 692  -3.090   1.435   2.562
  323    HZ2  TRP 692           2HZ      TRP 692  -7.798   1.154   4.173
  324    HZ3  TRP 692           3HZ      TRP 692  -4.453  -0.571   2.165
  325    HH2  TRP 692           HH       TRP 692  -6.759  -0.708   2.955
  326    H    GLU 693           H        GLU 693  -2.662   6.545   1.642
  327    HA   GLU 693           HA       GLU 693  -5.213   6.546   0.610
  328   1HB   GLU 693          2HB       GLU 693  -4.815   8.712   0.245
  329   2HB   GLU 693          1HB       GLU 693  -3.222   8.415   0.924
  330   1HG   GLU 693          2HG       GLU 693  -2.376   7.992  -1.363
  331   2HG   GLU 693          1HG       GLU 693  -3.968   8.413  -1.992
  332    H    LYS 694           H        LYS 694  -2.178   5.862  -1.078
  333    HA   LYS 694           HA       LYS 694  -3.568   5.442  -3.584
  334   1HB   LYS 694          2HB       LYS 694  -0.674   5.282  -2.769
  335   2HB   LYS 694          1HB       LYS 694  -1.228   4.802  -4.368
  336   1HG   LYS 694          2HG       LYS 694  -2.036   7.033  -4.803
  337   2HG   LYS 694          1HG       LYS 694  -1.617   7.534  -3.163
  338   1HD   LYS 694          2HD       LYS 694   0.447   6.420  -5.036
  339   2HD   LYS 694          1HD       LYS 694   0.008   8.129  -5.063
  340   1HE   LYS 694          2HE       LYS 694   0.392   7.716  -2.404
  341   2HE   LYS 694          1HE       LYS 694   1.573   6.606  -3.099
  342   1HZ   LYS 694          1HZ       LYS 694   2.841   8.446  -3.121
  343   2HZ   LYS 694          2HZ       LYS 694   1.524   9.508  -3.116
  344   3HZ   LYS 694          3HZ       LYS 694   2.019   8.781  -4.561
  345    H    HIS 695           H        HIS 695  -1.686   3.502  -1.275
  346    HA   HIS 695           HA       HIS 695  -1.843   1.067  -2.602
  347   1HB   HIS 695          2HB       HIS 695  -0.338   1.450  -0.722
  348   2HB   HIS 695          1HB       HIS 695  -1.712   1.574   0.374
  349    HD1  HIS 695           1HD      HIS 695  -0.630  -1.067  -2.176
  350    HD2  HIS 695           2HD      HIS 695  -1.947  -0.700   1.747
  351    HE1  HIS 695           1HE      HIS 695  -0.775  -3.416  -1.257
  352    H    HIS 696           H        HIS 696  -4.118   2.457  -0.241
  353    HA   HIS 696           HA       HIS 696  -5.701   0.230   0.124
  354   1HB   HIS 696          2HB       HIS 696  -7.390   1.631   1.001
  355   2HB   HIS 696          1HB       HIS 696  -5.850   2.357   1.426
  356    HD1  HIS 696           1HD      HIS 696  -8.249   2.780  -1.523
  357    HD2  HIS 696           2HD      HIS 696  -6.044   4.997   1.206
  358    HE1  HIS 696           1HE      HIS 696  -8.745   5.188  -2.049
  359    HE2  HIS 696           2HE      HIS 696  -7.472   6.506  -0.329
  360    H    HIS 697           H        HIS 697  -5.592   2.328  -2.683
  361    HA   HIS 697           HA       HIS 697  -8.113   1.665  -3.769
  362   1HB   HIS 697          2HB       HIS 697  -5.546   2.228  -5.275
  363   2HB   HIS 697          1HB       HIS 697  -7.176   2.331  -5.922
  364    HD1  HIS 697           1HD      HIS 697  -8.626   4.107  -4.038
  365    HD2  HIS 697           2HD      HIS 697  -4.647   4.738  -5.049
  366    HE1  HIS 697           1HE      HIS 697  -8.202   6.551  -3.613
  367    HE2  HIS 697           2HE      HIS 697  -5.816   6.927  -4.325
  368    H    ILE 698           H        ILE 698  -5.040   0.010  -3.604
  369    HA   ILE 698           HA       ILE 698  -5.908  -2.067  -5.456
  370    HB   ILE 698           HB       ILE 698  -3.330  -2.206  -3.947
  371   1HG1  ILE 698          2HG1      ILE 698  -3.539  -0.658  -6.520
  372   2HG1  ILE 698          1HG1      ILE 698  -3.702   0.146  -4.963
  373   1HG2  ILE 698          1HG2      ILE 698  -3.662  -2.819  -6.835
  374   2HG2  ILE 698          2HG2      ILE 698  -4.379  -3.913  -5.653
  375   3HG2  ILE 698          3HG2      ILE 698  -2.644  -3.596  -5.622
  376   1HD1  ILE 698          1HD1      ILE 698  -1.358  -1.596  -5.220
  377   2HD1  ILE 698          2HD1      ILE 698  -1.509   0.020  -4.528
  378   3HD1  ILE 698          3HD1      ILE 698  -1.373  -0.182  -6.275
  379    H    CYS 699           H        CYS 699  -4.655  -1.884  -2.126
  380    HA   CYS 699           HA       CYS 699  -4.742  -4.397  -1.233
  381   1HB   CYS 699          2HB       CYS 699  -4.369  -2.180   0.048
  382   2HB   CYS 699          1HB       CYS 699  -6.086  -2.284   0.422
  383    H    GLY 700           H        GLY 700  -6.238  -5.736  -0.092
  384   1HA   GLY 700          2HA       GLY 700  -8.224  -6.846   0.170
  385   2HA   GLY 700          1HA       GLY 700  -9.019  -5.289  -0.021
  386    H    GLN 701           H        GLN 701  -6.951  -6.797  -2.430
  387    HA   GLN 701           HA       GLN 701  -9.300  -7.498  -4.034
  388   1HB   GLN 701          2HB       GLN 701  -7.044  -5.694  -4.908
  389   2HB   GLN 701          1HB       GLN 701  -8.125  -6.490  -6.044
  390   1HG   GLN 701          2HG       GLN 701  -9.998  -5.367  -4.640
  391   2HG   GLN 701          1HG       GLN 701  -8.700  -4.305  -4.096
  392   1HE2  GLN 701          1HE2      GLN 701 -11.036  -4.790  -6.405
  393   2HE2  GLN 701          2HE2      GLN 701 -10.462  -3.694  -7.611
  394    H    THR 702           H        THR 702  -8.413  -8.551  -6.197
  395    HA   THR 702           HA       THR 702  -6.173 -10.330  -5.502
  396    HB   THR 702           HB       THR 702  -8.387 -11.431  -7.150
  397    HG1  THR 702           1HG      THR 702  -8.581 -10.907  -4.382
  398   1HG2  THR 702          1HG2      THR 702  -7.744 -13.467  -6.355
  399   2HG2  THR 702          2HG2      THR 702  -7.161 -12.811  -4.825
  400   3HG2  THR 702          3HG2      THR 702  -6.208 -12.603  -6.295
  401    H    LEU 703           H        LEU 703  -4.626  -9.595  -6.842
  402    HA   LEU 703           HA       LEU 703  -5.214  -9.655  -9.718
  403   1HB   LEU 703          2HB       LEU 703  -4.689  -7.331  -8.245
  404   2HB   LEU 703          1HB       LEU 703  -3.193  -7.686  -9.088
  405    HG   LEU 703           HG       LEU 703  -4.903  -7.967 -11.136
  406   1HD1  LEU 703          1HD1      LEU 703  -6.247  -6.170  -9.153
  407   2HD1  LEU 703          2HD1      LEU 703  -6.937  -7.467 -10.129
  408   3HD1  LEU 703          3HD1      LEU 703  -6.472  -5.945 -10.888
  409   1HD2  LEU 703          1HD2      LEU 703  -2.898  -6.300 -10.526
  410   2HD2  LEU 703          2HD2      LEU 703  -4.241  -5.157 -10.508
  411   3HD2  LEU 703          3HD2      LEU 703  -3.911  -6.106 -11.956
  412    H    GLN 704           H        GLN 704  -2.813  -9.191 -10.795
  413    HA   GLN 704           HA       GLN 704  -1.186 -11.401  -9.746
  414   1HB   GLN 704          2HB       GLN 704  -2.020 -10.636 -12.389
  415   2HB   GLN 704          1HB       GLN 704  -0.264 -10.646 -12.308
  416   1HG   GLN 704          2HG       GLN 704  -1.983 -12.942 -11.407
  417   2HG   GLN 704          1HG       GLN 704  -1.315 -12.793 -13.033
  418   1HE2  GLN 704          1HE2      GLN 704   0.329 -14.120 -13.251
  419   2HE2  GLN 704          2HE2      GLN 704   1.579 -14.399 -12.091
  420    H    ALA 705           H        ALA 705   1.123 -11.206  -9.747
  421    HA   ALA 705           HA       ALA 705   2.130  -8.446  -9.780
  422   1HB   ALA 705          1HB       ALA 705   2.549 -10.481  -7.599
  423   2HB   ALA 705          2HB       ALA 705   1.755  -8.911  -7.469
  424   3HB   ALA 705          3HB       ALA 705   3.493  -8.999  -7.757
  425    H    GLN 706           H        GLN 706   3.568  -8.412 -11.381
  426    HA   GLN 706           HA       GLN 706   5.740 -10.358 -11.352
  427   1HB   GLN 706          2HB       GLN 706   3.828  -9.950 -13.626
  428   2HB   GLN 706          1HB       GLN 706   5.492 -10.416 -13.948
  429   1HG   GLN 706          2HG       GLN 706   3.943 -11.987 -11.959
  430   2HG   GLN 706          1HG       GLN 706   3.586 -12.204 -13.672
  431   1HE2  GLN 706          1HE2      GLN 706   5.218 -12.997 -15.045
  432   2HE2  GLN 706          2HE2      GLN 706   6.565 -13.880 -14.422
  433    H    GLN 707           H        GLN 707   7.336  -9.697 -13.242
  434    HA   GLN 707           HA       GLN 707   8.263  -7.101 -12.608
  435   1HB   GLN 707          2HB       GLN 707   9.103  -9.300 -14.402
  436   2HB   GLN 707          1HB       GLN 707   9.667  -7.694 -14.838
  437   1HG   GLN 707          2HG       GLN 707  10.004  -8.291 -12.011
  438   2HG   GLN 707          1HG       GLN 707  10.872  -9.404 -13.067
  439   1HE2  GLN 707          1HE2      GLN 707  12.829  -8.807 -13.642
  440   2HE2  GLN 707          2HE2      GLN 707  13.434  -7.190 -13.675
  Start of MODEL   22
    1    H    THR1101           H        THR1101  -9.169  12.498   5.417
    2    HA   THR1101           HA       THR1101  -7.270  11.329   5.906
    3    HB   THR1101           HB       THR1101  -8.387  10.570   8.595
    4    HG1  THR1101           1HG      THR1101  -8.203  12.624   9.045
    5   1HG2  THR1101          1HG2      THR1101  -5.693  10.504   7.321
    6   2HG2  THR1101          2HG2      THR1101  -6.549   9.244   8.208
    7   3HG2  THR1101          3HG2      THR1101  -5.848  10.610   9.075
    8    H    ILE1102           H        ILE1102  -7.089   9.228   5.252
    9    HA   ILE1102           HA       ILE1102  -9.427   7.864   4.448
   10    HB   ILE1102           HB       ILE1102  -6.718   6.576   4.726
   11   1HG1  ILE1102          2HG1      ILE1102  -7.173   7.608   2.086
   12   2HG1  ILE1102          1HG1      ILE1102  -7.323   8.923   3.247
   13   1HG2  ILE1102          1HG2      ILE1102  -7.528   5.424   2.620
   14   2HG2  ILE1102          2HG2      ILE1102  -9.113   6.112   2.972
   15   3HG2  ILE1102          3HG2      ILE1102  -8.361   5.001   4.116
   16   1HD1  ILE1102          1HD1      ILE1102  -4.974   7.055   3.062
   17   2HD1  ILE1102          2HD1      ILE1102  -5.122   8.469   4.105
   18   3HD1  ILE1102          3HD1      ILE1102  -5.048   8.668   2.355
   19    H    SER1103           H        SER1103 -10.001   5.629   5.050
   20    HA   SER1103           HA       SER1103 -10.602   5.379   7.753
   21   1HB   SER1103          2HB       SER1103 -11.690   4.177   5.789
   22   2HB   SER1103          1HB       SER1103 -10.347   3.038   5.865
   23    HG   SER1103           HG       SER1103 -11.469   2.079   7.350
   24    H    ASN1104           H        ASN1104  -9.973   2.867   8.611
   25    HA   ASN1104           HA       ASN1104  -7.126   3.167   9.214
   26   1HB   ASN1104          2HB       ASN1104  -9.444   1.897  10.600
   27   2HB   ASN1104          1HB       ASN1104  -7.829   1.281  10.930
   28   1HD2  ASN1104          1HD2      ASN1104 -10.017   3.927  11.294
   29   2HD2  ASN1104          2HD2      ASN1104  -9.056   4.844  12.399
   30    HA   PRO1105           HA       PRO1105  -6.578  -0.232   6.261
   31   1HB   PRO1105          2HB       PRO1105  -3.843  -0.193   6.388
   32   2HB   PRO1105          1HB       PRO1105  -4.794   0.862   5.343
   33   1HG   PRO1105          2HG       PRO1105  -3.548   1.442   7.993
   34   2HG   PRO1105          1HG       PRO1105  -3.651   2.470   6.553
   35   1HD   PRO1105          2HD       PRO1105  -5.275   2.795   8.687
   36   2HD   PRO1105          1HD       PRO1105  -5.807   3.134   7.028
   37    HA   PRO1106           HA       PRO1106  -5.668  -3.701   8.835
   38   1HB   PRO1106          2HB       PRO1106  -4.183  -5.324   7.262
   39   2HB   PRO1106          1HB       PRO1106  -5.901  -5.032   6.966
   40   1HG   PRO1106          2HG       PRO1106  -3.515  -3.797   5.645
   41   2HG   PRO1106          1HG       PRO1106  -5.016  -4.389   4.912
   42   1HD   PRO1106          2HD       PRO1106  -4.552  -1.760   5.400
   43   2HD   PRO1106          1HD       PRO1106  -6.177  -2.474   5.439
   44    HA   PRO1107           HA       PRO1107  -1.750  -3.253  10.815
   45   1HB   PRO1107          2HB       PRO1107  -1.314  -5.727  11.838
   46   2HB   PRO1107          1HB       PRO1107  -2.535  -4.626  12.484
   47   1HG   PRO1107          2HG       PRO1107  -2.869  -6.934  10.609
   48   2HG   PRO1107          1HG       PRO1107  -3.869  -6.467  11.997
   49   1HD   PRO1107          2HD       PRO1107  -4.556  -5.900   9.434
   50   2HD   PRO1107          1HD       PRO1107  -4.996  -4.853  10.799
   51    H    LEU1108           H        LEU1108   0.494  -3.952  10.836
   52    HA   LEU1108           HA       LEU1108   1.264  -5.094   8.250
   53   1HB   LEU1108          2HB       LEU1108   3.013  -3.645  10.232
   54   2HB   LEU1108          1HB       LEU1108   3.400  -4.037   8.567
   55    HG   LEU1108           HG       LEU1108   1.143  -2.185   9.306
   56   1HD1  LEU1108          1HD1      LEU1108   3.490  -1.489  10.114
   57   2HD1  LEU1108          2HD1      LEU1108   2.541  -0.338   9.174
   58   3HD1  LEU1108          3HD1      LEU1108   3.839  -1.249   8.402
   59   1HD2  LEU1108          1HD2      LEU1108   1.311  -1.465   7.017
   60   2HD2  LEU1108          2HD2      LEU1108   1.139  -3.220   7.054
   61   3HD2  LEU1108          3HD2      LEU1108   2.719  -2.495   6.755
   62    H    ILE1109           H        ILE1109   2.804  -6.738   8.075
   63    HA   ILE1109           HA       ILE1109   3.234  -8.285  10.546
   64    HB   ILE1109           HB       ILE1109   3.597 -10.171   8.663
   65   1HG1  ILE1109          2HG1      ILE1109   1.294  -8.588   7.541
   66   2HG1  ILE1109          1HG1      ILE1109   2.929  -8.420   6.918
   67   1HG2  ILE1109          1HG2      ILE1109   1.657 -11.118   9.450
   68   2HG2  ILE1109          2HG2      ILE1109   0.778  -9.588   9.438
   69   3HG2  ILE1109          3HG2      ILE1109   1.970  -9.913  10.698
   70   1HD1  ILE1109          1HD1      ILE1109   2.746 -10.270   5.716
   71   2HD1  ILE1109          2HD1      ILE1109   1.026 -10.250   6.109
   72   3HD1  ILE1109          3HD1      ILE1109   2.145 -11.191   7.096
   73    H    SER1110           H        SER1110   5.276  -8.482  11.176
   74    HA   SER1110           HA       SER1110   7.415  -7.559   9.481
   75   1HB   SER1110          2HB       SER1110   8.763  -8.415  11.596
   76   2HB   SER1110          1HB       SER1110   7.840  -6.914  11.653
   77    HG   SER1110           HG       SER1110   6.449  -7.808  12.978
   78    H    SER1111           H        SER1111   8.739  -8.752   8.274
   79    HA   SER1111           HA       SER1111   8.774 -11.667   8.707
   80   1HB   SER1111          2HB       SER1111   9.037 -11.909   6.231
   81   2HB   SER1111          1HB       SER1111   7.481 -11.231   6.708
   82    HG   SER1111           HG       SER1111   8.148  -9.895   5.140
   83    H    ALA1112           H        ALA1112  10.717 -12.307   9.334
   84    HA   ALA1112           HA       ALA1112  13.071 -11.802   7.879
   85   1HB   ALA1112          1HB       ALA1112  14.130 -10.588  10.018
   86   2HB   ALA1112          2HB       ALA1112  12.488  -9.952  10.108
   87   3HB   ALA1112          3HB       ALA1112  13.448  -9.708   8.650
   88    H    LYS1113           H        LYS1113  12.840 -14.129   8.198
   89    HA   LYS1113           HA       LYS1113  13.341 -15.164  10.860
   90   1HB   LYS1113          2HB       LYS1113  12.970 -16.513   8.184
   91   2HB   LYS1113          1HB       LYS1113  13.296 -17.388   9.674
   92   1HG   LYS1113          2HG       LYS1113  11.125 -17.433  10.081
   93   2HG   LYS1113          1HG       LYS1113  11.139 -15.675  10.225
   94   1HD   LYS1113          2HD       LYS1113   9.681 -15.752   8.513
   95   2HD   LYS1113          1HD       LYS1113  11.126 -15.984   7.525
   96   1HE   LYS1113          2HE       LYS1113  10.823 -18.458   7.858
   97   2HE   LYS1113          1HE       LYS1113   9.262 -18.097   8.591
   98   1HZ   LYS1113          1HZ       LYS1113   8.551 -17.078   6.538
   99   2HZ   LYS1113          2HZ       LYS1113   9.073 -18.656   6.235
  100   3HZ   LYS1113          3HZ       LYS1113  10.064 -17.347   5.832
  101    H    ASP 658           H        ASP 658  12.013 -13.977  -5.476
  102    HA   ASP 658           HA       ASP 658   9.502 -12.486  -5.887
  103   1HB   ASP 658          2HB       ASP 658  10.027 -15.185  -4.764
  104   2HB   ASP 658          1HB       ASP 658   8.793 -14.220  -3.961
  105    H    SER 659           H        SER 659  12.005 -11.476  -4.805
  106    HA   SER 659           HA       SER 659  10.947 -10.360  -2.360
  107   1HB   SER 659          2HB       SER 659  12.106 -12.455  -1.622
  108   2HB   SER 659          1HB       SER 659  13.608 -11.800  -2.275
  109    HG   SER 659           HG       SER 659  12.341 -11.235   0.067
  110    H    SER 660           H        SER 660  12.547  -8.717  -1.439
  111    HA   SER 660           HA       SER 660  14.659  -7.681  -2.947
  112   1HB   SER 660          2HB       SER 660  13.189  -5.519  -3.586
  113   2HB   SER 660          1HB       SER 660  13.440  -6.865  -4.698
  114    HG   SER 660           HG       SER 660  11.322  -6.843  -4.699
  115    H    GLU 661           H        GLU 661  11.947  -6.961  -0.827
  116    HA   GLU 661           HA       GLU 661  11.804  -5.828   1.139
  117   1HB   GLU 661          2HB       GLU 661  14.524  -6.795   1.027
  118   2HB   GLU 661          1HB       GLU 661  14.455  -5.252   1.868
  119   1HG   GLU 661          2HG       GLU 661  12.704  -6.175   3.342
  120   2HG   GLU 661          1HG       GLU 661  12.889  -7.732   2.537
  121    H    SER 662           H        SER 662  10.900  -3.967   0.300
  122    HA   SER 662           HA       SER 662  12.547  -1.615   0.467
  123   1HB   SER 662          2HB       SER 662  11.451  -0.972  -1.917
  124   2HB   SER 662          1HB       SER 662  13.063  -1.665  -1.744
  125    HG   SER 662           HG       SER 662  10.712  -3.203  -2.124
  126    H    CYS 663           H        CYS 663  11.401  -0.012   1.332
  127    HA   CYS 663           HA       CYS 663   8.672  -0.363   1.999
  128   1HB   CYS 663          2HB       CYS 663  10.451   0.988   3.246
  129   2HB   CYS 663          1HB       CYS 663  10.149   2.257   2.067
  130    H    TRP 664           H        TRP 664   6.887   0.134   0.913
  131    HA   TRP 664           HA       TRP 664   6.949   1.043  -1.746
  132   1HB   TRP 664          2HB       TRP 664   4.709   0.729   0.246
  133   2HB   TRP 664          1HB       TRP 664   4.425   1.291  -1.397
  134    HD1  TRP 664           HD       TRP 664   6.941  -1.501  -0.624
  135    HE1  TRP 664           1HE      TRP 664   6.092  -3.683  -1.690
  136    HE3  TRP 664           3HE      TRP 664   2.337   0.090  -2.190
  137    HZ2  TRP 664           2HZ      TRP 664   3.782  -4.610  -3.020
  138    HZ3  TRP 664           3HZ      TRP 664   0.871  -1.512  -3.350
  139    HH2  TRP 664           HH       TRP 664   1.578  -3.808  -3.755
  140    H    ASN 665           H        ASN 665   6.818   2.753   1.251
  141    HA   ASN 665           HA       ASN 665   5.986   5.234  -0.065
  142   1HB   ASN 665          2HB       ASN 665   4.770   4.990   1.909
  143   2HB   ASN 665          1HB       ASN 665   6.140   4.325   2.790
  144   1HD2  ASN 665          1HD2      ASN 665   6.733   5.635   4.344
  145   2HD2  ASN 665          2HD2      ASN 665   6.810   7.359   4.260
  146    H    CYS 666           H        CYS 666   8.452   4.328   2.358
  147    HA   CYS 666           HA       CYS 666  10.039   6.581   2.084
  148   1HB   CYS 666          2HB       CYS 666  10.759   3.770   2.900
  149   2HB   CYS 666          1HB       CYS 666  11.901   5.104   2.974
  150    H    GLY 667           H        GLY 667  10.740   3.372   0.620
  151   1HA   GLY 667          2HA       GLY 667  11.347   3.135  -1.676
  152   2HA   GLY 667          1HA       GLY 667  11.880   4.809  -1.675
  153    H    ARG 668           H        ARG 668  12.751   2.726   0.959
  154    HA   ARG 668           HA       ARG 668  15.459   2.449  -0.158
  155   1HB   ARG 668          2HB       ARG 668  14.583   3.627   2.419
  156   2HB   ARG 668          1HB       ARG 668  16.007   2.597   2.473
  157   1HG   ARG 668          2HG       ARG 668  15.921   4.664   0.357
  158   2HG   ARG 668          1HG       ARG 668  16.136   5.213   2.020
  159   1HD   ARG 668          2HD       ARG 668  18.163   4.147   2.254
  160   2HD   ARG 668          1HD       ARG 668  17.799   2.954   1.008
  161    HE   ARG 668           HE       ARG 668  18.967   5.562   0.634
  162   1HH1  ARG 668          1HH1      ARG 668  17.251   2.930  -0.888
  163   2HH1  ARG 668          2HH1      ARG 668  17.790   3.338  -2.482
  164   1HH2  ARG 668          1HH2      ARG 668  19.674   6.099  -1.462
  165   2HH2  ARG 668          2HH2      ARG 668  19.165   5.136  -2.808
  166    H    LYS 669           H        LYS 669  13.559   1.362   2.668
  167    HA   LYS 669           HA       LYS 669  13.763  -1.384   1.871
  168   1HB   LYS 669          2HB       LYS 669  15.169  -2.215   3.581
  169   2HB   LYS 669          1HB       LYS 669  16.023  -0.844   2.890
  170   1HG   LYS 669          2HG       LYS 669  16.334  -0.447   5.112
  171   2HG   LYS 669          1HG       LYS 669  14.849   0.465   4.838
  172   1HD   LYS 669          2HD       LYS 669  14.001  -0.711   6.545
  173   2HD   LYS 669          1HD       LYS 669  13.919  -2.060   5.409
  174   1HE   LYS 669          2HE       LYS 669  16.322  -1.458   7.122
  175   2HE   LYS 669          1HE       LYS 669  15.040  -2.569   7.598
  176   1HZ   LYS 669          1HZ       LYS 669  15.608  -3.552   5.220
  177   2HZ   LYS 669          2HZ       LYS 669  16.434  -4.035   6.615
  178   3HZ   LYS 669          3HZ       LYS 669  17.122  -2.888   5.581
  179    H    ALA 670           H        ALA 670  12.510  -2.793   3.171
  180    HA   ALA 670           HA       ALA 670  10.936  -1.592   5.319
  181   1HB   ALA 670          1HB       ALA 670   9.928  -1.936   2.695
  182   2HB   ALA 670          2HB       ALA 670   9.071  -1.391   4.136
  183   3HB   ALA 670          3HB       ALA 670   9.124  -3.109   3.738
  184    H    SER 671           H        SER 671  10.177  -3.045   6.838
  185    HA   SER 671           HA       SER 671  11.011  -5.846   6.455
  186   1HB   SER 671          2HB       SER 671  11.033  -5.654   9.129
  187   2HB   SER 671          1HB       SER 671  12.440  -5.265   8.140
  188    HG   SER 671           HG       SER 671  10.501  -3.360   8.943
  189    H    GLU 672           H        GLU 672   8.353  -3.870   6.793
  190    HA   GLU 672           HA       GLU 672   6.783  -5.987   8.105
  191   1HB   GLU 672          2HB       GLU 672   5.663  -3.253   7.655
  192   2HB   GLU 672          1HB       GLU 672   5.316  -4.405   8.933
  193   1HG   GLU 672          2HG       GLU 672   7.980  -3.050   8.753
  194   2HG   GLU 672          1HG       GLU 672   6.601  -2.271   9.527
  195    H    THR 673           H        THR 673   4.632  -6.395   7.247
  196    HA   THR 673           HA       THR 673   4.335  -5.732   4.403
  197    HB   THR 673           HB       THR 673   4.161  -8.502   5.609
  198    HG1  THR 673           1HG      THR 673   5.870  -8.924   4.236
  199   1HG2  THR 673          1HG2      THR 673   2.658  -8.935   4.016
  200   2HG2  THR 673          2HG2      THR 673   4.033  -8.855   2.914
  201   3HG2  THR 673          3HG2      THR 673   3.004  -7.442   3.143
  202    H    CYS 674           H        CYS 674   2.275  -5.424   3.694
  203    HA   CYS 674           HA       CYS 674   0.261  -4.877   5.606
  204   1HB   CYS 674          2HB       CYS 674   0.372  -3.691   3.472
  205   2HB   CYS 674          1HB       CYS 674   0.079  -5.191   2.600
  206    H    SER 675           H        SER 675  -0.486  -6.543   6.797
  207    HA   SER 675           HA       SER 675  -0.782  -9.190   5.894
  208   1HB   SER 675          2HB       SER 675  -1.899  -9.613   7.996
  209   2HB   SER 675          1HB       SER 675  -0.556  -8.506   8.281
  210    HG   SER 675           HG       SER 675  -3.291  -7.795   8.005
  211    H    GLY 676           H        GLY 676  -2.689  -6.500   5.178
  212   1HA   GLY 676          2HA       GLY 676  -5.229  -7.857   5.079
  213   2HA   GLY 676          1HA       GLY 676  -4.876  -6.255   4.450
  214    H    CYS 677           H        CYS 677  -2.815  -6.845   2.680
  215    HA   CYS 677           HA       CYS 677  -4.232  -8.499   0.697
  216   1HB   CYS 677          2HB       CYS 677  -3.061  -7.125  -1.018
  217   2HB   CYS 677          1HB       CYS 677  -4.158  -6.194  -0.004
  218    H    ASN 678           H        ASN 678  -1.418  -8.245   2.574
  219    HA   ASN 678           HA       ASN 678   0.503  -9.446   2.696
  220   1HB   ASN 678          2HB       ASN 678  -1.478 -11.225   1.637
  221   2HB   ASN 678          1HB       ASN 678   0.071 -11.586   0.884
  222   1HD2  ASN 678          1HD2      ASN 678   1.935 -11.511   2.568
  223   2HD2  ASN 678          2HD2      ASN 678   1.640 -12.413   4.011
  224    H    THR 679           H        THR 679   0.026  -7.465   0.476
  225    HA   THR 679           HA       THR 679   2.159  -8.410  -1.322
  226    HB   THR 679           HB       THR 679  -0.211  -6.650  -1.953
  227    HG1  THR 679           1HG      THR 679  -1.042  -8.445  -2.595
  228   1HG2  THR 679          1HG2      THR 679   2.320  -6.993  -3.389
  229   2HG2  THR 679          2HG2      THR 679   1.112  -5.712  -3.493
  230   3HG2  THR 679          3HG2      THR 679   0.866  -7.228  -4.361
  231    H    ALA 680           H        ALA 680   0.785  -5.644   0.358
  232    HA   ALA 680           HA       ALA 680   2.798  -3.807  -0.497
  233   1HB   ALA 680          1HB       ALA 680   1.658  -2.779   1.824
  234   2HB   ALA 680          2HB       ALA 680   0.376  -3.718   1.059
  235   3HB   ALA 680          3HB       ALA 680   1.185  -2.433   0.160
  236    H    ARG 681           H        ARG 681   4.343  -2.753   0.846
  237    HA   ARG 681           HA       ARG 681   5.189  -4.220   3.238
  238   1HB   ARG 681          2HB       ARG 681   6.965  -3.518   0.893
  239   2HB   ARG 681          1HB       ARG 681   7.562  -4.061   2.455
  240   1HG   ARG 681          2HG       ARG 681   5.575  -5.740   1.005
  241   2HG   ARG 681          1HG       ARG 681   7.258  -5.738   0.473
  242   1HD   ARG 681          2HD       ARG 681   6.531  -6.161   3.351
  243   2HD   ARG 681          1HD       ARG 681   6.522  -7.497   2.200
  244    HE   ARG 681           HE       ARG 681   8.822  -6.177   3.313
  245   1HH1  ARG 681          1HH1      ARG 681   7.626  -8.090   0.650
  246   2HH1  ARG 681          2HH1      ARG 681   9.184  -8.723   0.242
  247   1HH2  ARG 681          1HH2      ARG 681  10.873  -7.010   2.778
  248   2HH2  ARG 681          2HH2      ARG 681  11.028  -8.111   1.449
  249    H    TYR 682           H        TYR 682   6.126  -2.944   4.815
  250    HA   TYR 682           HA       TYR 682   6.861  -0.204   4.220
  251   1HB   TYR 682          2HB       TYR 682   4.535  -0.895   6.022
  252   2HB   TYR 682          1HB       TYR 682   5.341   0.669   6.035
  253    HD1  TYR 682           1HD      TYR 682   2.864  -1.381   4.440
  254    HD2  TYR 682           2HD      TYR 682   5.321   2.051   3.909
  255    HE1  TYR 682           1HE      TYR 682   1.402  -0.624   2.614
  256    HE2  TYR 682           2HE      TYR 682   3.866   2.818   2.082
  257    HH   TYR 682           HH       TYR 682   2.247   1.678   0.414
  258    H    CYS 683           H        CYS 683   8.177   0.727   5.815
  259    HA   CYS 683           HA       CYS 683   9.327  -1.218   7.650
  260   1HB   CYS 683          2HB       CYS 683  11.213   0.250   7.831
  261   2HB   CYS 683          1HB       CYS 683  10.786   0.130   6.129
  262    H    GLY 684           H        GLY 684   7.217   1.512   7.716
  263   1HA   GLY 684          2HA       GLY 684   7.080   1.263  10.622
  264   2HA   GLY 684          1HA       GLY 684   7.503   2.847   9.989
  265    H    SER 685           H        SER 685   5.177   2.015  11.553
  266    HA   SER 685           HA       SER 685   2.829   1.663  10.208
  267   1HB   SER 685          2HB       SER 685   1.713   2.833  12.048
  268   2HB   SER 685          1HB       SER 685   3.001   1.795  12.662
  269    HG   SER 685           HG       SER 685   3.000   3.906  13.601
  270    H    PHE 686           H        PHE 686   4.611   4.700  10.576
  271    HA   PHE 686           HA       PHE 686   2.644   6.363   9.432
  272   1HB   PHE 686          2HB       PHE 686   4.460   7.996   9.118
  273   2HB   PHE 686          1HB       PHE 686   4.489   7.291  10.729
  274    HD1  PHE 686           1HD      PHE 686   6.207   5.583  11.289
  275    HD2  PHE 686           2HD      PHE 686   6.279   7.765   7.637
  276    HE1  PHE 686           1HE      PHE 686   8.571   4.976  10.979
  277    HE2  PHE 686           2HE      PHE 686   8.643   7.162   7.319
  278    HZ   PHE 686           HZ       PHE 686   9.792   5.766   8.992
  279    H    CYS 687           H        CYS 687   5.184   4.382   8.041
  280    HA   CYS 687           HA       CYS 687   5.097   5.443   5.429
  281   1HB   CYS 687          2HB       CYS 687   5.774   2.591   6.134
  282   2HB   CYS 687          1HB       CYS 687   6.355   3.531   4.764
  283    H    GLN 688           H        GLN 688   3.415   2.685   6.907
  284    HA   GLN 688           HA       GLN 688   2.079   1.855   4.581
  285   1HB   GLN 688          2HB       GLN 688   0.741   0.489   5.968
  286   2HB   GLN 688          1HB       GLN 688   2.336   0.536   6.698
  287   1HG   GLN 688          2HG       GLN 688   1.628   1.745   8.508
  288   2HG   GLN 688          1HG       GLN 688   0.259   2.447   7.648
  289   1HE2  GLN 688          1HE2      GLN 688  -0.954   0.251   6.613
  290   2HE2  GLN 688          2HE2      GLN 688  -1.534  -0.758   7.877
  291    H    HIS 689           H        HIS 689   1.178   4.160   7.099
  292    HA   HIS 689           HA       HIS 689  -1.420   4.684   6.078
  293   1HB   HIS 689          2HB       HIS 689   0.365   5.955   8.106
  294   2HB   HIS 689          1HB       HIS 689  -1.030   6.858   7.521
  295    HD1  HIS 689           1HD      HIS 689  -1.388   6.381  10.312
  296    HD2  HIS 689           2HD      HIS 689  -2.215   3.356   7.585
  297    HE1  HIS 689           1HE      HIS 689  -2.920   4.791  11.516
  298    HE2  HIS 689           2HE      HIS 689  -3.485   3.021   9.815
  299    H    LYS 690           H        LYS 690   1.738   6.154   5.585
  300    HA   LYS 690           HA       LYS 690   0.979   8.504   4.305
  301   1HB   LYS 690          2HB       LYS 690   3.323   7.590   5.038
  302   2HB   LYS 690          1HB       LYS 690   3.390   6.981   3.391
  303   1HG   LYS 690          2HG       LYS 690   3.109   9.849   4.257
  304   2HG   LYS 690          1HG       LYS 690   4.507   9.095   3.492
  305   1HD   LYS 690          2HD       LYS 690   1.787   9.502   2.251
  306   2HD   LYS 690          1HD       LYS 690   3.253  10.405   1.874
  307   1HE   LYS 690          2HE       LYS 690   3.805   7.619   1.603
  308   2HE   LYS 690          1HE       LYS 690   2.325   7.989   0.720
  309   1HZ   LYS 690          1HZ       LYS 690   3.412   9.347  -0.724
  310   2HZ   LYS 690          2HZ       LYS 690   4.672   8.275  -0.377
  311   3HZ   LYS 690          3HZ       LYS 690   4.613   9.784   0.385
  312    H    ASP 691           H        ASP 691   1.818   5.376   2.826
  313    HA   ASP 691           HA       ASP 691   0.909   6.290   0.232
  314   1HB   ASP 691          2HB       ASP 691   2.310   3.884   1.281
  315   2HB   ASP 691          1HB       ASP 691   1.378   3.693  -0.201
  316    H    TRP 692           H        TRP 692  -0.558   5.010   2.950
  317    HA   TRP 692           HA       TRP 692  -2.326   3.110   2.169
  318   1HB   TRP 692          2HB       TRP 692  -2.190   3.945   4.455
  319   2HB   TRP 692          1HB       TRP 692  -2.902   5.475   3.960
  320    HD1  TRP 692           HD       TRP 692  -5.154   5.447   5.221
  321    HE1  TRP 692           1HE      TRP 692  -7.193   3.872   5.266
  322    HE3  TRP 692           3HE      TRP 692  -3.256   1.556   2.489
  323    HZ2  TRP 692           2HZ      TRP 692  -7.904   1.337   4.272
  324    HZ3  TRP 692           3HZ      TRP 692  -4.684  -0.403   2.083
  325    HH2  TRP 692           HH       TRP 692  -6.960  -0.510   2.959
  326    H    GLU 693           H        GLU 693  -2.731   6.614   1.652
  327    HA   GLU 693           HA       GLU 693  -5.291   6.614   0.633
  328   1HB   GLU 693          2HB       GLU 693  -4.906   8.779   0.252
  329   2HB   GLU 693          1HB       GLU 693  -3.319   8.493   0.949
  330   1HG   GLU 693          2HG       GLU 693  -2.452   8.056  -1.333
  331   2HG   GLU 693          1HG       GLU 693  -4.037   8.491  -1.973
  332    H    LYS 694           H        LYS 694  -2.262   5.927  -1.068
  333    HA   LYS 694           HA       LYS 694  -3.664   5.524  -3.570
  334   1HB   LYS 694          2HB       LYS 694  -0.767   5.349  -2.767
  335   2HB   LYS 694          1HB       LYS 694  -1.330   4.874  -4.363
  336   1HG   LYS 694          2HG       LYS 694  -1.999   7.069  -4.893
  337   2HG   LYS 694          1HG       LYS 694  -1.865   7.595  -3.213
  338   1HD   LYS 694          2HD       LYS 694   0.528   6.560  -4.691
  339   2HD   LYS 694          1HD       LYS 694   0.008   8.236  -4.878
  340   1HE   LYS 694          2HE       LYS 694   0.181   8.563  -2.464
  341   2HE   LYS 694          1HE       LYS 694   0.683   6.884  -2.268
  342   1HZ   LYS 694          1HZ       LYS 694   2.719   7.802  -2.373
  343   2HZ   LYS 694          2HZ       LYS 694   2.198   9.173  -3.214
  344   3HZ   LYS 694          3HZ       LYS 694   2.469   7.725  -4.045
  345    H    HIS 695           H        HIS 695  -1.774   3.574  -1.279
  346    HA   HIS 695           HA       HIS 695  -1.926   1.142  -2.597
  347   1HB   HIS 695          2HB       HIS 695  -0.448   1.558  -0.693
  348   2HB   HIS 695          1HB       HIS 695  -1.841   1.639   0.381
  349    HD1  HIS 695           1HD      HIS 695  -0.863  -0.969  -2.234
  350    HD2  HIS 695           2HD      HIS 695  -1.829  -0.629   1.791
  351    HE1  HIS 695           1HE      HIS 695  -0.903  -3.323  -1.317
  352    H    HIS 696           H        HIS 696  -4.228   2.532  -0.270
  353    HA   HIS 696           HA       HIS 696  -5.814   0.306   0.094
  354   1HB   HIS 696          2HB       HIS 696  -7.516   1.715   0.941
  355   2HB   HIS 696          1HB       HIS 696  -5.978   2.430   1.388
  356    HD1  HIS 696           1HD      HIS 696  -8.356   2.870  -1.573
  357    HD2  HIS 696           2HD      HIS 696  -6.125   5.072   1.146
  358    HE1  HIS 696           1HE      HIS 696  -8.828   5.284  -2.105
  359    HE2  HIS 696           2HE      HIS 696  -7.521   6.594  -0.406
  360    H    HIS 697           H        HIS 697  -5.681   2.377  -2.730
  361    HA   HIS 697           HA       HIS 697  -8.203   1.721  -3.819
  362   1HB   HIS 697          2HB       HIS 697  -5.639   2.288  -5.325
  363   2HB   HIS 697          1HB       HIS 697  -7.271   2.401  -5.963
  364    HD1  HIS 697           1HD      HIS 697  -8.725   4.190  -4.132
  365    HD2  HIS 697           2HD      HIS 697  -4.710   4.774  -5.020
  366    HE1  HIS 697           1HE      HIS 697  -8.280   6.626  -3.678
  367    HE2  HIS 697           2HE      HIS 697  -5.828   6.938  -4.154
  368    H    ILE 698           H        ILE 698  -5.217  -0.045  -3.526
  369    HA   ILE 698           HA       ILE 698  -6.272  -2.132  -5.315
  370    HB   ILE 698           HB       ILE 698  -3.538  -2.647  -4.698
  371   1HG1  ILE 698          2HG1      ILE 698  -3.118  -0.346  -6.272
  372   2HG1  ILE 698          1HG1      ILE 698  -4.089   0.176  -4.904
  373   1HG2  ILE 698          1HG2      ILE 698  -4.422  -1.655  -7.358
  374   2HG2  ILE 698          2HG2      ILE 698  -5.103  -3.155  -6.728
  375   3HG2  ILE 698          3HG2      ILE 698  -3.359  -3.001  -6.945
  376   1HD1  ILE 698          1HD1      ILE 698  -1.481  -1.304  -4.745
  377   2HD1  ILE 698          2HD1      ILE 698  -2.456  -0.775  -3.374
  378   3HD1  ILE 698          3HD1      ILE 698  -1.724   0.417  -4.448
  379    H    CYS 699           H        CYS 699  -5.838  -1.427  -2.094
  380    HA   CYS 699           HA       CYS 699  -4.933  -3.935  -1.117
  381   1HB   CYS 699          2HB       CYS 699  -5.145  -1.571   0.053
  382   2HB   CYS 699          1HB       CYS 699  -6.711  -2.208   0.545
  383    H    GLY 700           H        GLY 700  -5.990  -5.777  -0.656
  384   1HA   GLY 700          2HA       GLY 700  -7.875  -7.072  -0.042
  385   2HA   GLY 700          1HA       GLY 700  -8.919  -5.765  -0.583
  386    H    GLN 701           H        GLN 701  -6.292  -6.807  -2.595
  387    HA   GLN 701           HA       GLN 701  -7.700  -8.779  -4.069
  388   1HB   GLN 701          2HB       GLN 701  -8.171  -6.001  -4.771
  389   2HB   GLN 701          1HB       GLN 701  -7.472  -6.893  -6.115
  390   1HG   GLN 701          2HG       GLN 701  -9.266  -8.361  -6.239
  391   2HG   GLN 701          1HG       GLN 701  -9.810  -7.985  -4.605
  392   1HE2  GLN 701          1HE2      GLN 701  -9.777  -6.977  -7.923
  393   2HE2  GLN 701          2HE2      GLN 701 -10.988  -5.753  -7.778
  394    H    THR 702           H        THR 702  -6.146 -10.040  -4.825
  395    HA   THR 702           HA       THR 702  -3.429  -9.229  -4.921
  396    HB   THR 702           HB       THR 702  -4.657 -11.686  -6.181
  397    HG1  THR 702           1HG      THR 702  -4.285 -12.670  -4.188
  398   1HG2  THR 702          1HG2      THR 702  -2.550 -12.043  -6.811
  399   2HG2  THR 702          2HG2      THR 702  -2.273 -12.434  -5.114
  400   3HG2  THR 702          3HG2      THR 702  -1.910 -10.817  -5.718
  401    H    LEU 703           H        LEU 703  -5.758 -10.065  -7.482
  402    HA   LEU 703           HA       LEU 703  -4.112  -8.494  -9.354
  403   1HB   LEU 703          2HB       LEU 703  -4.375 -11.165  -9.531
  404   2HB   LEU 703          1HB       LEU 703  -5.797 -10.679 -10.434
  405    HG   LEU 703           HG       LEU 703  -3.177  -9.437 -11.135
  406   1HD1  LEU 703          1HD1      LEU 703  -2.289 -11.247 -12.144
  407   2HD1  LEU 703          2HD1      LEU 703  -3.864 -11.924 -12.557
  408   3HD1  LEU 703          3HD1      LEU 703  -3.222 -12.116 -10.925
  409   1HD2  LEU 703          1HD2      LEU 703  -5.585  -8.981 -12.095
  410   2HD2  LEU 703          2HD2      LEU 703  -5.225 -10.410 -13.062
  411   3HD2  LEU 703          3HD2      LEU 703  -4.171  -8.999 -13.149
  412    H    GLN 704           H        GLN 704  -5.183  -7.179 -10.802
  413    HA   GLN 704           HA       GLN 704  -8.107  -7.014 -10.504
  414   1HB   GLN 704          2HB       GLN 704  -6.037  -4.906 -10.213
  415   2HB   GLN 704          1HB       GLN 704  -7.515  -4.454 -11.052
  416   1HG   GLN 704          2HG       GLN 704  -8.003  -5.914  -8.582
  417   2HG   GLN 704          1HG       GLN 704  -7.117  -4.409  -8.341
  418   1HE2  GLN 704          1HE2      GLN 704  -8.157  -2.501  -8.542
  419   2HE2  GLN 704          2HE2      GLN 704  -9.839  -2.343  -8.900
  420    H    ALA 705           H        ALA 705  -9.125  -7.315 -12.363
  421    HA   ALA 705           HA       ALA 705  -7.883  -6.353 -14.844
  422   1HB   ALA 705          1HB       ALA 705  -9.365  -8.892 -15.067
  423   2HB   ALA 705          2HB       ALA 705  -7.808  -8.976 -14.243
  424   3HB   ALA 705          3HB       ALA 705  -7.902  -8.352 -15.890
  425    H    GLN 706           H        GLN 706  -9.996  -5.241 -13.201
  426    HA   GLN 706           HA       GLN 706 -12.135  -5.245 -15.211
  427   1HB   GLN 706          2HB       GLN 706 -12.781  -6.660 -13.250
  428   2HB   GLN 706          1HB       GLN 706 -12.628  -5.237 -12.229
  429   1HG   GLN 706          2HG       GLN 706 -14.807  -4.978 -12.614
  430   2HG   GLN 706          1HG       GLN 706 -14.296  -4.327 -14.170
  431   1HE2  GLN 706          1HE2      GLN 706 -16.622  -5.115 -14.497
  432   2HE2  GLN 706          2HE2      GLN 706 -16.789  -6.714 -15.130
  433    H    GLN 707           H        GLN 707 -11.112  -3.289 -15.931
  434    HA   GLN 707           HA       GLN 707 -11.970  -0.974 -14.355
  435   1HB   GLN 707          2HB       GLN 707  -9.402  -1.626 -14.206
  436   2HB   GLN 707          1HB       GLN 707  -9.340  -0.791 -15.752
  437   1HG   GLN 707          2HG       GLN 707  -8.879   0.935 -14.344
  438   2HG   GLN 707          1HG       GLN 707 -10.634   1.073 -14.435
  439   1HE2  GLN 707          1HE2      GLN 707 -10.261   2.252 -12.398
  440   2HE2  GLN 707          2HE2      GLN 707 -10.213   1.347 -10.928
  Start of MODEL   23
    1    H    THR1101           H        THR1101  -7.918  12.598   6.379
    2    HA   THR1101           HA       THR1101 -10.179  11.588   6.567
    3    HB   THR1101           HB       THR1101  -9.720  13.552   5.239
    4    HG1  THR1101           1HG      THR1101 -11.667  13.116   4.585
    5   1HG2  THR1101          1HG2      THR1101  -8.785  11.678   3.081
    6   2HG2  THR1101          2HG2      THR1101  -7.803  12.848   3.964
    7   3HG2  THR1101          3HG2      THR1101  -9.076  13.406   2.877
    8    H    ILE1102           H        ILE1102  -8.414   9.262   6.261
    9    HA   ILE1102           HA       ILE1102 -10.020   7.768   4.292
   10    HB   ILE1102           HB       ILE1102  -7.157   7.112   4.970
   11   1HG1  ILE1102          2HG1      ILE1102  -8.121   8.483   2.458
   12   2HG1  ILE1102          1HG1      ILE1102  -7.450   9.361   3.829
   13   1HG2  ILE1102          1HG2      ILE1102  -7.369   5.837   2.798
   14   2HG2  ILE1102          2HG2      ILE1102  -9.103   6.136   2.897
   15   3HG2  ILE1102          3HG2      ILE1102  -8.295   5.208   4.161
   16   1HD1  ILE1102          1HD1      ILE1102  -5.663   7.263   3.151
   17   2HD1  ILE1102          2HD1      ILE1102  -5.412   9.007   3.063
   18   3HD1  ILE1102          3HD1      ILE1102  -6.087   8.142   1.683
   19    H    SER1103           H        SER1103 -10.241   5.464   4.762
   20    HA   SER1103           HA       SER1103 -11.001   5.007   7.445
   21   1HB   SER1103          2HB       SER1103 -11.692   3.856   5.118
   22   2HB   SER1103          1HB       SER1103 -10.518   2.666   5.678
   23    HG   SER1103           HG       SER1103 -12.391   2.021   6.573
   24    H    ASN1104           H        ASN1104 -10.239   3.001   8.659
   25    HA   ASN1104           HA       ASN1104  -7.402   3.272   9.087
   26   1HB   ASN1104          2HB       ASN1104  -9.421   1.482  10.452
   27   2HB   ASN1104          1HB       ASN1104  -7.767   1.762  10.991
   28   1HD2  ASN1104          1HD2      ASN1104 -10.606   2.373  12.008
   29   2HD2  ASN1104          2HD2      ASN1104 -10.489   4.015  12.533
   30    HA   PRO1105           HA       PRO1105  -6.508  -0.229   6.440
   31   1HB   PRO1105          2HB       PRO1105  -3.730  -0.009   7.181
   32   2HB   PRO1105          1HB       PRO1105  -4.500   0.444   5.661
   33   1HG   PRO1105          2HG       PRO1105  -3.428   2.230   7.453
   34   2HG   PRO1105          1HG       PRO1105  -4.682   2.629   6.269
   35   1HD   PRO1105          2HD       PRO1105  -4.936   2.070   9.190
   36   2HD   PRO1105          1HD       PRO1105  -5.821   3.230   8.176
   37    HA   PRO1106           HA       PRO1106  -5.888  -3.679   9.128
   38   1HB   PRO1106          2HB       PRO1106  -4.488  -5.422   7.630
   39   2HB   PRO1106          1HB       PRO1106  -6.157  -4.986   7.242
   40   1HG   PRO1106          2HG       PRO1106  -3.607  -3.982   6.039
   41   2HG   PRO1106          1HG       PRO1106  -5.120  -4.439   5.235
   42   1HD   PRO1106          2HD       PRO1106  -4.419  -1.854   5.770
   43   2HD   PRO1106          1HD       PRO1106  -6.101  -2.410   5.652
   44    HA   PRO1107           HA       PRO1107  -2.000  -3.620  11.222
   45   1HB   PRO1107          2HB       PRO1107  -1.625  -6.191  11.989
   46   2HB   PRO1107          1HB       PRO1107  -2.855  -5.148  12.713
   47   1HG   PRO1107          2HG       PRO1107  -3.154  -7.238  10.590
   48   2HG   PRO1107          1HG       PRO1107  -4.188  -6.914  11.994
   49   1HD   PRO1107          2HD       PRO1107  -4.802  -6.061   9.494
   50   2HD   PRO1107          1HD       PRO1107  -5.264  -5.163  10.953
   51    H    LEU1108           H        LEU1108   0.225  -4.110  11.090
   52    HA   LEU1108           HA       LEU1108   1.036  -5.134   8.474
   53   1HB   LEU1108          2HB       LEU1108   2.423  -3.483  10.571
   54   2HB   LEU1108          1HB       LEU1108   3.300  -4.199   9.234
   55    HG   LEU1108           HG       LEU1108   1.086  -2.158   9.038
   56   1HD1  LEU1108          1HD1      LEU1108   2.667  -0.578   8.722
   57   2HD1  LEU1108          2HD1      LEU1108   3.771  -1.688   7.910
   58   3HD1  LEU1108          3HD1      LEU1108   3.653  -1.691   9.671
   59   1HD2  LEU1108          1HD2      LEU1108   0.717  -3.233   7.078
   60   2HD2  LEU1108          2HD2      LEU1108   2.331  -3.942   7.034
   61   3HD2  LEU1108          3HD2      LEU1108   2.095  -2.258   6.566
   62    H    ILE1109           H        ILE1109   2.535  -6.787   8.206
   63    HA   ILE1109           HA       ILE1109   3.033  -8.416  10.611
   64    HB   ILE1109           HB       ILE1109   3.377 -10.245   8.703
   65   1HG1  ILE1109          2HG1      ILE1109   1.163  -8.557   7.542
   66   2HG1  ILE1109          1HG1      ILE1109   2.816  -8.508   6.942
   67   1HG2  ILE1109          1HG2      ILE1109   1.403 -11.178   9.419
   68   2HG2  ILE1109          2HG2      ILE1109   0.544  -9.637   9.400
   69   3HG2  ILE1109          3HG2      ILE1109   1.691  -9.992  10.693
   70   1HD1  ILE1109          1HD1      ILE1109   0.731 -10.346   6.323
   71   2HD1  ILE1109          2HD1      ILE1109   2.087 -11.216   7.043
   72   3HD1  ILE1109          3HD1      ILE1109   2.342 -10.208   5.618
   73    H    SER1110           H        SER1110   5.083  -8.609  11.208
   74    HA   SER1110           HA       SER1110   7.188  -7.695   9.431
   75   1HB   SER1110          2HB       SER1110   8.647  -8.035  11.450
   76   2HB   SER1110          1HB       SER1110   7.308  -6.916  11.708
   77    HG   SER1110           HG       SER1110   6.298  -8.379  12.945
   78    H    SER1111           H        SER1111   8.522  -8.966   8.314
   79    HA   SER1111           HA       SER1111   8.544 -11.847   8.941
   80   1HB   SER1111          2HB       SER1111   8.645 -12.369   6.625
   81   2HB   SER1111          1HB       SER1111   7.378 -11.154   6.780
   82    HG   SER1111           HG       SER1111   9.420 -11.037   5.196
   83    H    ALA1112           H        ALA1112  10.435 -12.418   9.767
   84    HA   ALA1112           HA       ALA1112  12.890 -11.640   8.428
   85   1HB   ALA1112          1HB       ALA1112  13.968 -10.700  10.324
   86   2HB   ALA1112          2HB       ALA1112  12.620 -11.119  11.380
   87   3HB   ALA1112          3HB       ALA1112  12.422  -9.871  10.150
   88    H    LYS1113           H        LYS1113  13.356 -13.740   7.943
   89    HA   LYS1113           HA       LYS1113  13.226 -15.794   9.981
   90   1HB   LYS1113          2HB       LYS1113  14.307 -16.003   7.167
   91   2HB   LYS1113          1HB       LYS1113  13.848 -17.330   8.226
   92   1HG   LYS1113          2HG       LYS1113  11.514 -16.538   8.158
   93   2HG   LYS1113          1HG       LYS1113  12.003 -15.279   7.022
   94   1HD   LYS1113          2HD       LYS1113  12.871 -17.125   5.535
   95   2HD   LYS1113          1HD       LYS1113  12.064 -18.264   6.616
   96   1HE   LYS1113          2HE       LYS1113  10.559 -17.879   4.840
   97   2HE   LYS1113          1HE       LYS1113   9.944 -16.949   6.204
   98   1HZ   LYS1113          1HZ       LYS1113  10.250 -15.941   3.771
   99   2HZ   LYS1113          2HZ       LYS1113  11.762 -15.551   4.421
  100   3HZ   LYS1113          3HZ       LYS1113  10.352 -15.003   5.177
  101    H    ASP 658           H        ASP 658   2.536  -9.510  -4.098
  102    HA   ASP 658           HA       ASP 658   5.188 -10.181  -5.194
  103   1HB   ASP 658          2HB       ASP 658   3.658  -8.396  -6.418
  104   2HB   ASP 658          1HB       ASP 658   4.270  -7.339  -5.149
  105    H    SER 659           H        SER 659   6.644 -10.279  -3.630
  106    HA   SER 659           HA       SER 659   6.440  -8.382  -1.389
  107   1HB   SER 659          2HB       SER 659   7.448 -11.209  -1.071
  108   2HB   SER 659          1HB       SER 659   7.018 -10.059   0.194
  109    HG   SER 659           HG       SER 659   5.367 -11.610  -1.450
  110    H    SER 660           H        SER 660   8.018  -6.991  -2.032
  111    HA   SER 660           HA       SER 660  10.680  -8.118  -2.583
  112   1HB   SER 660          2HB       SER 660   9.464  -5.450  -3.327
  113   2HB   SER 660          1HB       SER 660  11.168  -5.843  -3.559
  114    HG   SER 660           HG       SER 660  10.594  -6.787  -5.331
  115    H    GLU 661           H        GLU 661  12.504  -6.585  -1.887
  116    HA   GLU 661           HA       GLU 661  12.044  -5.922   0.928
  117   1HB   GLU 661          2HB       GLU 661  14.006  -7.401  -0.166
  118   2HB   GLU 661          1HB       GLU 661  14.779  -5.823  -0.220
  119   1HG   GLU 661          2HG       GLU 661  15.123  -5.783   1.982
  120   2HG   GLU 661          1HG       GLU 661  13.517  -6.417   2.342
  121    H    SER 662           H        SER 662  10.906  -3.943   0.301
  122    HA   SER 662           HA       SER 662  12.558  -1.673   0.524
  123   1HB   SER 662          2HB       SER 662  11.535  -0.803  -1.836
  124   2HB   SER 662          1HB       SER 662  13.150  -1.491  -1.657
  125    HG   SER 662           HG       SER 662  11.288  -2.375  -3.212
  126    H    CYS 663           H        CYS 663  11.408   0.013   1.299
  127    HA   CYS 663           HA       CYS 663   8.695  -0.379   2.008
  128   1HB   CYS 663          2HB       CYS 663  10.492   1.005   3.209
  129   2HB   CYS 663          1HB       CYS 663  10.120   2.268   2.044
  130    H    TRP 664           H        TRP 664   6.889   0.083   0.936
  131    HA   TRP 664           HA       TRP 664   6.899   0.984  -1.723
  132   1HB   TRP 664          2HB       TRP 664   4.695   0.674   0.309
  133   2HB   TRP 664          1HB       TRP 664   4.381   1.229  -1.332
  134    HD1  TRP 664           HD       TRP 664   6.914  -1.556  -0.595
  135    HE1  TRP 664           1HE      TRP 664   6.047  -3.744  -1.634
  136    HE3  TRP 664           3HE      TRP 664   2.283   0.027  -2.080
  137    HZ2  TRP 664           2HZ      TRP 664   3.708  -4.676  -2.920
  138    HZ3  TRP 664           3HZ      TRP 664   0.794  -1.576  -3.206
  139    HH2  TRP 664           HH       TRP 664   1.489  -3.874  -3.615
  140    H    ASN 665           H        ASN 665   6.692   2.697   1.287
  141    HA   ASN 665           HA       ASN 665   5.866   5.171  -0.033
  142   1HB   ASN 665          2HB       ASN 665   4.665   4.934   1.945
  143   2HB   ASN 665          1HB       ASN 665   6.034   4.254   2.816
  144   1HD2  ASN 665          1HD2      ASN 665   6.683   5.542   4.363
  145   2HD2  ASN 665          2HD2      ASN 665   6.753   7.267   4.302
  146    H    CYS 666           H        CYS 666   8.365   4.290   2.367
  147    HA   CYS 666           HA       CYS 666   9.922   6.563   2.089
  148   1HB   CYS 666          2HB       CYS 666  10.644   3.756   2.902
  149   2HB   CYS 666          1HB       CYS 666  11.823   5.061   2.910
  150    H    GLY 667           H        GLY 667  10.645   3.376   0.592
  151   1HA   GLY 667          2HA       GLY 667  11.211   3.183  -1.726
  152   2HA   GLY 667          1HA       GLY 667  11.764   4.851  -1.694
  153    H    ARG 668           H        ARG 668  12.623   2.706   0.893
  154    HA   ARG 668           HA       ARG 668  15.312   2.383  -0.253
  155   1HB   ARG 668          2HB       ARG 668  14.783   4.135   1.762
  156   2HB   ARG 668          1HB       ARG 668  15.179   2.687   2.676
  157   1HG   ARG 668          2HG       ARG 668  17.230   3.702   2.481
  158   2HG   ARG 668          1HG       ARG 668  17.253   2.585   1.115
  159   1HD   ARG 668          2HD       ARG 668  17.765   4.356  -0.142
  160   2HD   ARG 668          1HD       ARG 668  16.085   4.848   0.063
  161    HE   ARG 668           HE       ARG 668  17.568   5.773   2.255
  162   1HH1  ARG 668          1HH1      ARG 668  17.246   6.340  -1.174
  163   2HH1  ARG 668          2HH1      ARG 668  17.730   7.999  -1.073
  164   1HH2  ARG 668          1HH2      ARG 668  18.206   7.955   2.390
  165   2HH2  ARG 668          2HH2      ARG 668  18.276   8.917   0.951
  166    H    LYS 669           H        LYS 669  13.678   1.409   2.767
  167    HA   LYS 669           HA       LYS 669  13.797  -1.377   1.966
  168   1HB   LYS 669          2HB       LYS 669  15.456  -0.210   4.174
  169   2HB   LYS 669          1HB       LYS 669  14.905  -1.877   4.265
  170   1HG   LYS 669          2HG       LYS 669  16.475  -0.751   1.961
  171   2HG   LYS 669          1HG       LYS 669  17.195  -1.590   3.338
  172   1HD   LYS 669          2HD       LYS 669  16.546  -3.614   2.597
  173   2HD   LYS 669          1HD       LYS 669  14.971  -3.022   2.064
  174   1HE   LYS 669          2HE       LYS 669  16.207  -3.768   0.144
  175   2HE   LYS 669          1HE       LYS 669  16.078  -2.011   0.087
  176   1HZ   LYS 669          1HZ       LYS 669  18.287  -1.744   0.426
  177   2HZ   LYS 669          2HZ       LYS 669  18.352  -3.269  -0.303
  178   3HZ   LYS 669          3HZ       LYS 669  18.441  -3.133   1.381
  179    H    ALA 670           H        ALA 670  12.484  -2.745   3.188
  180    HA   ALA 670           HA       ALA 670  10.872  -1.554   5.318
  181   1HB   ALA 670          1HB       ALA 670   9.918  -1.940   2.669
  182   2HB   ALA 670          2HB       ALA 670   9.042  -1.351   4.080
  183   3HB   ALA 670          3HB       ALA 670   9.088  -3.079   3.728
  184    H    SER 671           H        SER 671  10.121  -3.009   6.836
  185    HA   SER 671           HA       SER 671  10.957  -5.809   6.451
  186   1HB   SER 671          2HB       SER 671  12.072  -4.127   8.249
  187   2HB   SER 671          1HB       SER 671  10.755  -4.783   9.219
  188    HG   SER 671           HG       SER 671  11.542  -6.859   8.795
  189    H    GLU 672           H        GLU 672   8.299  -3.843   6.789
  190    HA   GLU 672           HA       GLU 672   6.749  -5.950   8.139
  191   1HB   GLU 672          2HB       GLU 672   5.664  -3.197   7.658
  192   2HB   GLU 672          1HB       GLU 672   5.235  -4.357   8.905
  193   1HG   GLU 672          2HG       GLU 672   8.004  -3.452   9.074
  194   2HG   GLU 672          1HG       GLU 672   6.822  -2.155   9.242
  195    H    THR 673           H        THR 673   4.619  -6.418   7.298
  196    HA   THR 673           HA       THR 673   4.294  -5.792   4.446
  197    HB   THR 673           HB       THR 673   4.143  -8.531   5.721
  198    HG1  THR 673           1HG      THR 673   6.130  -8.514   5.080
  199   1HG2  THR 673          1HG2      THR 673   2.348  -8.190   4.020
  200   2HG2  THR 673          2HG2      THR 673   3.516  -9.449   3.621
  201   3HG2  THR 673          3HG2      THR 673   3.613  -7.873   2.835
  202    H    CYS 674           H        CYS 674   2.233  -5.490   3.745
  203    HA   CYS 674           HA       CYS 674   0.227  -4.936   5.676
  204   1HB   CYS 674          2HB       CYS 674   0.335  -3.695   3.585
  205   2HB   CYS 674          1HB       CYS 674   0.070  -5.170   2.663
  206    H    SER 675           H        SER 675  -0.679  -6.544   6.804
  207    HA   SER 675           HA       SER 675  -0.950  -9.199   5.868
  208   1HB   SER 675          2HB       SER 675  -2.114  -9.636   7.938
  209   2HB   SER 675          1HB       SER 675  -0.768  -8.547   8.269
  210    HG   SER 675           HG       SER 675  -3.491  -7.810   7.945
  211    H    GLY 676           H        GLY 676  -2.779  -6.473   5.127
  212   1HA   GLY 676          2HA       GLY 676  -5.349  -7.767   4.959
  213   2HA   GLY 676          1HA       GLY 676  -4.942  -6.171   4.348
  214    H    CYS 677           H        CYS 677  -2.871  -6.771   2.619
  215    HA   CYS 677           HA       CYS 677  -4.263  -8.392   0.590
  216   1HB   CYS 677          2HB       CYS 677  -2.990  -7.028  -1.075
  217   2HB   CYS 677          1HB       CYS 677  -4.134  -6.099  -0.111
  218    H    ASN 678           H        ASN 678  -1.491  -8.196   2.543
  219    HA   ASN 678           HA       ASN 678   0.404  -9.435   2.707
  220   1HB   ASN 678          2HB       ASN 678  -1.449 -11.182   1.184
  221   2HB   ASN 678          1HB       ASN 678   0.254 -11.627   1.153
  222   1HD2  ASN 678          1HD2      ASN 678   1.041 -12.738   2.804
  223   2HD2  ASN 678          2HD2      ASN 678   0.241 -12.995   4.314
  224    H    THR 679           H        THR 679  -0.004  -7.431   0.483
  225    HA   THR 679           HA       THR 679   2.173  -8.375  -1.262
  226    HB   THR 679           HB       THR 679  -0.154  -6.579  -1.952
  227    HG1  THR 679           1HG      THR 679   0.564  -9.126  -2.967
  228   1HG2  THR 679          1HG2      THR 679   1.003  -5.775  -3.649
  229   2HG2  THR 679          2HG2      THR 679   1.164  -7.415  -4.281
  230   3HG2  THR 679          3HG2      THR 679   2.402  -6.756  -3.210
  231    H    ALA 680           H        ALA 680   0.771  -5.630   0.421
  232    HA   ALA 680           HA       ALA 680   2.773  -3.765  -0.387
  233   1HB   ALA 680          1HB       ALA 680   0.333  -3.715   1.112
  234   2HB   ALA 680          2HB       ALA 680   1.186  -2.392   0.318
  235   3HB   ALA 680          3HB       ALA 680   1.592  -2.834   1.976
  236    H    ARG 681           H        ARG 681   4.342  -2.757   0.927
  237    HA   ARG 681           HA       ARG 681   5.176  -4.213   3.330
  238   1HB   ARG 681          2HB       ARG 681   6.931  -3.582   0.950
  239   2HB   ARG 681          1HB       ARG 681   7.555  -4.064   2.522
  240   1HG   ARG 681          2HG       ARG 681   5.522  -5.842   1.347
  241   2HG   ARG 681          1HG       ARG 681   7.075  -5.776   0.511
  242   1HD   ARG 681          2HD       ARG 681   7.074  -6.066   3.471
  243   2HD   ARG 681          1HD       ARG 681   6.630  -7.466   2.497
  244    HE   ARG 681           HE       ARG 681   9.066  -6.186   1.658
  245   1HH1  ARG 681          1HH1      ARG 681   7.666  -8.563   3.795
  246   2HH1  ARG 681          2HH1      ARG 681   9.138  -9.458   3.967
  247   1HH2  ARG 681          1HH2      ARG 681  11.003  -7.362   1.882
  248   2HH2  ARG 681          2HH2      ARG 681  11.034  -8.776   2.882
  249    H    TYR 682           H        TYR 682   6.134  -2.934   4.892
  250    HA   TYR 682           HA       TYR 682   6.912  -0.214   4.266
  251   1HB   TYR 682          2HB       TYR 682   4.582  -0.837   6.088
  252   2HB   TYR 682          1HB       TYR 682   5.409   0.717   6.059
  253    HD1  TYR 682           1HD      TYR 682   5.391   2.052   3.908
  254    HD2  TYR 682           2HD      TYR 682   2.900  -1.343   4.518
  255    HE1  TYR 682           1HE      TYR 682   3.939   2.795   2.068
  256    HE2  TYR 682           2HE      TYR 682   1.442  -0.610   2.679
  257    HH   TYR 682           HH       TYR 682   2.324   1.752   0.462
  258    H    CYS 683           H        CYS 683   8.203   0.742   5.884
  259    HA   CYS 683           HA       CYS 683   9.362  -1.204   7.710
  260   1HB   CYS 683          2HB       CYS 683  11.231   0.295   7.914
  261   2HB   CYS 683          1HB       CYS 683  10.825   0.147   6.209
  262    H    GLY 684           H        GLY 684   7.201   1.479   7.800
  263   1HA   GLY 684          2HA       GLY 684   7.095   1.225  10.704
  264   2HA   GLY 684          1HA       GLY 684   7.487   2.817  10.074
  265    H    SER 685           H        SER 685   5.180   1.932  11.645
  266    HA   SER 685           HA       SER 685   2.838   1.561  10.283
  267   1HB   SER 685          2HB       SER 685   1.783   2.962  12.157
  268   2HB   SER 685          1HB       SER 685   2.722   1.549  12.640
  269    HG   SER 685           HG       SER 685   4.345   2.841  13.313
  270    H    PHE 686           H        PHE 686   4.588   4.600  10.720
  271    HA   PHE 686           HA       PHE 686   2.593   6.262   9.602
  272   1HB   PHE 686          2HB       PHE 686   4.422   7.929   9.344
  273   2HB   PHE 686          1HB       PHE 686   4.329   7.242  10.961
  274    HD1  PHE 686           1HD      PHE 686   6.024   5.612  11.708
  275    HD2  PHE 686           2HD      PHE 686   6.334   7.627   7.972
  276    HE1  PHE 686           1HE      PHE 686   8.407   5.014  11.589
  277    HE2  PHE 686           2HE      PHE 686   8.717   7.030   7.845
  278    HZ   PHE 686           HZ       PHE 686   9.757   5.722   9.655
  279    H    CYS 687           H        CYS 687   5.215   4.390   8.201
  280    HA   CYS 687           HA       CYS 687   5.197   5.565   5.646
  281   1HB   CYS 687          2HB       CYS 687   5.918   2.733   6.416
  282   2HB   CYS 687          1HB       CYS 687   6.351   3.531   4.906
  283    H    GLN 688           H        GLN 688   3.375   2.844   6.981
  284    HA   GLN 688           HA       GLN 688   2.167   2.083   4.548
  285   1HB   GLN 688          2HB       GLN 688   0.725   0.699   5.829
  286   2HB   GLN 688          1HB       GLN 688   2.299   0.668   6.605
  287   1HG   GLN 688          2HG       GLN 688   1.433   1.353   8.517
  288   2HG   GLN 688          1HG       GLN 688   0.697   2.752   7.743
  289   1HE2  GLN 688          1HE2      GLN 688   0.054  -0.638   7.073
  290   2HE2  GLN 688          2HE2      GLN 688  -1.598  -0.608   7.564
  291    H    HIS 689           H        HIS 689   1.256   4.408   7.029
  292    HA   HIS 689           HA       HIS 689  -1.345   4.929   6.016
  293   1HB   HIS 689          2HB       HIS 689   0.456   6.159   8.032
  294   2HB   HIS 689          1HB       HIS 689  -0.831   7.170   7.384
  295    HD1  HIS 689           1HD      HIS 689  -1.510   6.926  10.067
  296    HD2  HIS 689           2HD      HIS 689  -2.137   3.658   7.582
  297    HE1  HIS 689           1HE      HIS 689  -3.170   5.474  11.276
  298    HE2  HIS 689           2HE      HIS 689  -3.479   3.464   9.787
  299    H    LYS 690           H        LYS 690   1.818   6.371   5.459
  300    HA   LYS 690           HA       LYS 690   1.046   8.685   4.118
  301   1HB   LYS 690          2HB       LYS 690   3.400   7.780   4.859
  302   2HB   LYS 690          1HB       LYS 690   3.454   7.150   3.220
  303   1HG   LYS 690          2HG       LYS 690   3.196  10.025   4.064
  304   2HG   LYS 690          1HG       LYS 690   4.563   9.259   3.254
  305   1HD   LYS 690          2HD       LYS 690   1.802   9.654   2.101
  306   2HD   LYS 690          1HD       LYS 690   3.245  10.577   1.683
  307   1HE   LYS 690          2HE       LYS 690   3.783   7.775   1.401
  308   2HE   LYS 690          1HE       LYS 690   2.315   8.185   0.517
  309   1HZ   LYS 690          1HZ       LYS 690   4.866   9.674   0.244
  310   2HZ   LYS 690          2HZ       LYS 690   3.482   9.830  -0.715
  311   3HZ   LYS 690          3HZ       LYS 690   4.401   8.412  -0.784
  312    H    ASP 691           H        ASP 691   1.881   5.514   2.735
  313    HA   ASP 691           HA       ASP 691   0.949   6.339   0.119
  314   1HB   ASP 691          2HB       ASP 691   2.378   3.980   1.234
  315   2HB   ASP 691          1HB       ASP 691   1.433   3.731  -0.232
  316    H    TRP 692           H        TRP 692  -0.474   5.074   2.893
  317    HA   TRP 692           HA       TRP 692  -2.235   3.155   2.153
  318   1HB   TRP 692          2HB       TRP 692  -2.090   4.040   4.430
  319   2HB   TRP 692          1HB       TRP 692  -2.859   5.535   3.910
  320    HD1  TRP 692           HD       TRP 692  -5.133   5.465   5.122
  321    HE1  TRP 692           1HE      TRP 692  -7.104   3.808   5.207
  322    HE3  TRP 692           3HE      TRP 692  -3.034   1.555   2.576
  323    HZ2  TRP 692           2HZ      TRP 692  -7.692   1.203   4.311
  324    HZ3  TRP 692           3HZ      TRP 692  -4.369  -0.479   2.232
  325    HH2  TRP 692           HH       TRP 692  -6.651  -0.650   3.083
  326    H    GLU 693           H        GLU 693  -2.694   6.648   1.607
  327    HA   GLU 693           HA       GLU 693  -5.262   6.599   0.610
  328   1HB   GLU 693          2HB       GLU 693  -4.909   8.769   0.201
  329   2HB   GLU 693          1HB       GLU 693  -3.316   8.511   0.895
  330   1HG   GLU 693          2HG       GLU 693  -2.422   8.107  -1.357
  331   2HG   GLU 693          1HG       GLU 693  -4.023   8.417  -2.031
  332    H    LYS 694           H        LYS 694  -2.237   5.938  -1.108
  333    HA   LYS 694           HA       LYS 694  -3.654   5.478  -3.594
  334   1HB   LYS 694          2HB       LYS 694  -0.738   5.293  -2.841
  335   2HB   LYS 694          1HB       LYS 694  -1.352   4.913  -4.445
  336   1HG   LYS 694          2HG       LYS 694  -1.844   7.108  -4.927
  337   2HG   LYS 694          1HG       LYS 694  -1.980   7.561  -3.227
  338   1HD   LYS 694          2HD       LYS 694   0.614   6.765  -4.536
  339   2HD   LYS 694          1HD       LYS 694   0.060   8.435  -4.406
  340   1HE   LYS 694          2HE       LYS 694  -0.064   8.134  -1.939
  341   2HE   LYS 694          1HE       LYS 694   0.651   6.536  -2.141
  342   1HZ   LYS 694          1HZ       LYS 694   2.646   7.476  -2.937
  343   2HZ   LYS 694          2HZ       LYS 694   2.235   8.371  -1.562
  344   3HZ   LYS 694          3HZ       LYS 694   1.960   9.014  -3.102
  345    H    HIS 695           H        HIS 695  -1.705   3.593  -1.295
  346    HA   HIS 695           HA       HIS 695  -1.853   1.146  -2.598
  347   1HB   HIS 695          2HB       HIS 695  -0.286   1.521  -0.799
  348   2HB   HIS 695          1HB       HIS 695  -1.604   1.732   0.354
  349    HD1  HIS 695           1HD      HIS 695  -0.790  -1.048  -2.144
  350    HD2  HIS 695           2HD      HIS 695  -1.757  -0.468   1.854
  351    HE1  HIS 695           1HE      HIS 695  -0.938  -3.350  -1.115
  352    H    HIS 696           H        HIS 696  -4.115   2.529  -0.222
  353    HA   HIS 696           HA       HIS 696  -5.605   0.265   0.257
  354   1HB   HIS 696          2HB       HIS 696  -7.359   1.646   1.074
  355   2HB   HIS 696          1HB       HIS 696  -5.833   2.403   1.494
  356    HD1  HIS 696           1HD      HIS 696  -8.201   2.726  -1.493
  357    HD2  HIS 696           2HD      HIS 696  -6.083   5.036   1.227
  358    HE1  HIS 696           1HE      HIS 696  -8.739   5.116  -2.068
  359    HE2  HIS 696           2HE      HIS 696  -7.363   6.493  -0.479
  360    H    HIS 697           H        HIS 697  -5.633   2.240  -2.641
  361    HA   HIS 697           HA       HIS 697  -8.148   1.456  -3.638
  362   1HB   HIS 697          2HB       HIS 697  -5.655   1.964  -5.274
  363   2HB   HIS 697          1HB       HIS 697  -7.321   2.088  -5.817
  364    HD1  HIS 697           1HD      HIS 697  -8.666   3.982  -4.078
  365    HD2  HIS 697           2HD      HIS 697  -4.635   4.419  -4.977
  366    HE1  HIS 697           1HE      HIS 697  -8.147   6.412  -3.687
  367    HE2  HIS 697           2HE      HIS 697  -5.683   6.633  -4.155
  368    H    ILE 698           H        ILE 698  -5.040  -0.164  -3.490
  369    HA   ILE 698           HA       ILE 698  -6.095  -2.377  -5.105
  370    HB   ILE 698           HB       ILE 698  -3.799  -3.151  -5.325
  371   1HG1  ILE 698          2HG1      ILE 698  -2.650  -0.660  -4.216
  372   2HG1  ILE 698          1HG1      ILE 698  -3.269  -1.810  -3.034
  373   1HG2  ILE 698          1HG2      ILE 698  -4.305  -0.278  -6.038
  374   2HG2  ILE 698          2HG2      ILE 698  -4.564  -1.709  -7.037
  375   3HG2  ILE 698          3HG2      ILE 698  -2.924  -1.201  -6.631
  376   1HD1  ILE 698          1HD1      ILE 698  -1.792  -3.328  -4.840
  377   2HD1  ILE 698          2HD1      ILE 698  -1.350  -2.886  -3.191
  378   3HD1  ILE 698          3HD1      ILE 698  -0.835  -1.876  -4.542
  379    H    CYS 699           H        CYS 699  -5.780  -1.604  -1.872
  380    HA   CYS 699           HA       CYS 699  -4.734  -4.012  -0.845
  381   1HB   CYS 699          2HB       CYS 699  -5.235  -1.675   0.300
  382   2HB   CYS 699          1HB       CYS 699  -6.751  -2.464   0.720
  383    H    GLY 700           H        GLY 700  -5.573  -5.876  -1.486
  384   1HA   GLY 700          2HA       GLY 700  -7.073  -7.642  -1.356
  385   2HA   GLY 700          1HA       GLY 700  -8.225  -6.565  -0.577
  386    H    GLN 701           H        GLN 701  -7.170  -4.988  -3.266
  387    HA   GLN 701           HA       GLN 701  -8.160  -4.454  -5.247
  388   1HB   GLN 701          2HB       GLN 701  -7.434  -7.056  -5.413
  389   2HB   GLN 701          1HB       GLN 701  -9.160  -7.199  -5.716
  390   1HG   GLN 701          2HG       GLN 701  -8.715  -5.257  -7.412
  391   2HG   GLN 701          1HG       GLN 701  -7.056  -5.851  -7.331
  392   1HE2  GLN 701          1HE2      GLN 701  -9.301  -5.899  -9.395
  393   2HE2  GLN 701          2HE2      GLN 701  -9.327  -7.541  -9.931
  394    H    THR 702           H        THR 702  -9.785  -4.331  -2.831
  395    HA   THR 702           HA       THR 702 -12.451  -5.106  -3.700
  396    HB   THR 702           HB       THR 702 -12.041  -3.473  -1.248
  397    HG1  THR 702           1HG      THR 702 -10.549  -4.764  -0.564
  398   1HG2  THR 702          1HG2      THR 702 -13.394  -5.777  -0.600
  399   2HG2  THR 702          2HG2      THR 702 -13.946  -5.415  -2.236
  400   3HG2  THR 702          3HG2      THR 702 -14.111  -4.208  -0.961
  401    H    LEU 703           H        LEU 703 -14.215  -3.573  -3.754
  402    HA   LEU 703           HA       LEU 703 -13.332  -0.879  -4.560
  403   1HB   LEU 703          2HB       LEU 703 -14.886  -2.827  -5.951
  404   2HB   LEU 703          1HB       LEU 703 -15.914  -1.449  -5.608
  405    HG   LEU 703           HG       LEU 703 -13.218  -0.988  -6.815
  406   1HD1  LEU 703          1HD1      LEU 703 -14.316  -2.790  -8.130
  407   2HD1  LEU 703          2HD1      LEU 703 -14.069  -1.296  -9.033
  408   3HD1  LEU 703          3HD1      LEU 703 -15.671  -1.698  -8.414
  409   1HD2  LEU 703          1HD2      LEU 703 -15.829   0.404  -7.335
  410   2HD2  LEU 703          2HD2      LEU 703 -14.193   0.989  -7.636
  411   3HD2  LEU 703          3HD2      LEU 703 -14.783   0.832  -5.982
  412    H    GLN 704           H        GLN 704 -15.809  -2.755  -2.898
  413    HA   GLN 704           HA       GLN 704 -17.317  -2.209  -1.287
  414   1HB   GLN 704          2HB       GLN 704 -15.213  -0.131  -0.976
  415   2HB   GLN 704          1HB       GLN 704 -16.743   0.143  -0.155
  416   1HG   GLN 704          2HG       GLN 704 -16.251  -2.422   0.541
  417   2HG   GLN 704          1HG       GLN 704 -14.610  -1.789   0.411
  418   1HE2  GLN 704          1HE2      GLN 704 -13.877  -1.252   2.329
  419   2HE2  GLN 704          2HE2      GLN 704 -14.764  -0.444   3.573
  420    H    ALA 705           H        ALA 705 -18.832  -0.296  -0.557
  421    HA   ALA 705           HA       ALA 705 -20.556   1.080  -1.118
  422   1HB   ALA 705          1HB       ALA 705 -19.318   2.906  -1.622
  423   2HB   ALA 705          2HB       ALA 705 -19.929   2.583  -3.244
  424   3HB   ALA 705          3HB       ALA 705 -18.314   2.041  -2.786
  425    H    GLN 706           H        GLN 706 -22.215  -0.147  -1.791
  426    HA   GLN 706           HA       GLN 706 -22.354  -0.773  -4.665
  427   1HB   GLN 706          2HB       GLN 706 -23.539  -2.522  -2.513
  428   2HB   GLN 706          1HB       GLN 706 -23.352  -2.889  -4.223
  429   1HG   GLN 706          2HG       GLN 706 -21.057  -3.234  -4.023
  430   2HG   GLN 706          1HG       GLN 706 -20.973  -2.390  -2.477
  431   1HE2  GLN 706          1HE2      GLN 706 -21.340  -5.372  -4.039
  432   2HE2  GLN 706          2HE2      GLN 706 -21.641  -6.343  -2.642
  433    H    GLN 707           H        GLN 707 -23.376   1.549  -3.381
  434    HA   GLN 707           HA       GLN 707 -26.005   1.569  -4.392
  435   1HB   GLN 707          2HB       GLN 707 -26.013   0.343  -1.991
  436   2HB   GLN 707          1HB       GLN 707 -26.179   2.013  -1.467
  437   1HG   GLN 707          2HG       GLN 707 -28.100   2.188  -3.108
  438   2HG   GLN 707          1HG       GLN 707 -28.012   0.433  -3.238
  439   1HE2  GLN 707          1HE2      GLN 707 -30.137   0.323  -2.404
  440   2HE2  GLN 707          2HE2      GLN 707 -30.439   0.504  -0.713
  Start of MODEL   24
    1    H    THR1101           H        THR1101 -11.139  12.856   6.090
    2    HA   THR1101           HA       THR1101  -9.152  11.519   5.515
    3    HB   THR1101           HB       THR1101  -9.702  10.036   7.689
    4    HG1  THR1101           1HG      THR1101 -11.281  11.173   8.909
    5   1HG2  THR1101          1HG2      THR1101  -8.185  11.542   8.317
    6   2HG2  THR1101          2HG2      THR1101  -9.572  12.459   8.905
    7   3HG2  THR1101          3HG2      THR1101  -8.888  12.815   7.319
    8    H    ILE1102           H        ILE1102  -8.476   9.147   5.950
    9    HA   ILE1102           HA       ILE1102 -10.126   7.452   4.207
   10    HB   ILE1102           HB       ILE1102  -7.259   6.954   4.994
   11   1HG1  ILE1102          2HG1      ILE1102  -8.200   8.236   2.427
   12   2HG1  ILE1102          1HG1      ILE1102  -7.625   9.167   3.805
   13   1HG2  ILE1102          1HG2      ILE1102  -8.303   4.987   4.178
   14   2HG2  ILE1102          2HG2      ILE1102  -7.313   5.620   2.863
   15   3HG2  ILE1102          3HG2      ILE1102  -9.061   5.861   2.847
   16   1HD1  ILE1102          1HD1      ILE1102  -5.809   7.037   2.974
   17   2HD1  ILE1102          2HD1      ILE1102  -5.486   8.731   3.348
   18   3HD1  ILE1102          3HD1      ILE1102  -6.083   8.278   1.751
   19    H    SER1103           H        SER1103 -10.246   5.147   4.711
   20    HA   SER1103           HA       SER1103 -11.097   4.688   7.358
   21   1HB   SER1103          2HB       SER1103 -11.770   3.462   5.176
   22   2HB   SER1103          1HB       SER1103 -10.343   2.470   5.469
   23    HG   SER1103           HG       SER1103 -12.720   2.658   6.936
   24    H    ASN1104           H        ASN1104 -10.202   2.385   8.307
   25    HA   ASN1104           HA       ASN1104  -7.411   2.977   8.965
   26   1HB   ASN1104          2HB       ASN1104  -9.367   1.134  10.353
   27   2HB   ASN1104          1HB       ASN1104  -7.756   1.558  10.927
   28   1HD2  ASN1104          1HD2      ASN1104  -7.366   3.872  11.329
   29   2HD2  ASN1104          2HD2      ASN1104  -8.661   4.817  11.971
   30    HA   PRO1105           HA       PRO1105  -6.417  -0.495   6.258
   31   1HB   PRO1105          2HB       PRO1105  -3.715  -0.290   6.537
   32   2HB   PRO1105          1HB       PRO1105  -4.657   0.734   5.449
   33   1HG   PRO1105          2HG       PRO1105  -3.637   1.327   8.200
   34   2HG   PRO1105          1HG       PRO1105  -3.635   2.362   6.760
   35   1HD   PRO1105          2HD       PRO1105  -5.465   2.635   8.722
   36   2HD   PRO1105          1HD       PRO1105  -5.857   2.938   7.018
   37    HA   PRO1106           HA       PRO1106  -6.020  -3.845   9.125
   38   1HB   PRO1106          2HB       PRO1106  -4.264  -5.074   7.059
   39   2HB   PRO1106          1HB       PRO1106  -5.702  -5.729   7.847
   40   1HG   PRO1106          2HG       PRO1106  -5.812  -4.859   5.335
   41   2HG   PRO1106          1HG       PRO1106  -7.155  -4.572   6.458
   42   1HD   PRO1106          2HD       PRO1106  -5.049  -2.685   5.493
   43   2HD   PRO1106          1HD       PRO1106  -6.766  -2.385   5.831
   44    HA   PRO1107           HA       PRO1107  -2.118  -3.585  11.170
   45   1HB   PRO1107          2HB       PRO1107  -1.647  -6.112  12.027
   46   2HB   PRO1107          1HB       PRO1107  -2.905  -5.085  12.725
   47   1HG   PRO1107          2HG       PRO1107  -3.151  -7.263  10.686
   48   2HG   PRO1107          1HG       PRO1107  -4.183  -6.919  12.086
   49   1HD   PRO1107          2HD       PRO1107  -4.846  -6.186   9.561
   50   2HD   PRO1107          1HD       PRO1107  -5.329  -5.250  10.990
   51    H    LEU1108           H        LEU1108   0.131  -4.092  11.094
   52    HA   LEU1108           HA       LEU1108   0.964  -5.109   8.481
   53   1HB   LEU1108          2HB       LEU1108   2.062  -3.210  10.460
   54   2HB   LEU1108          1HB       LEU1108   3.247  -4.191   9.617
   55    HG   LEU1108           HG       LEU1108   1.192  -2.447   8.257
   56   1HD1  LEU1108          1HD1      LEU1108   3.974  -1.943   9.180
   57   2HD1  LEU1108          2HD1      LEU1108   2.583  -0.861   9.133
   58   3HD1  LEU1108          3HD1      LEU1108   3.453  -1.243   7.647
   59   1HD2  LEU1108          1HD2      LEU1108   3.118  -2.875   6.436
   60   2HD2  LEU1108          2HD2      LEU1108   1.682  -3.887   6.587
   61   3HD2  LEU1108          3HD2      LEU1108   3.200  -4.398   7.324
   62    H    ILE1109           H        ILE1109   2.475  -6.749   8.223
   63    HA   ILE1109           HA       ILE1109   2.988  -8.368  10.633
   64    HB   ILE1109           HB       ILE1109   3.321 -10.210   8.745
   65   1HG1  ILE1109          2HG1      ILE1109   1.132  -8.509   7.554
   66   2HG1  ILE1109          1HG1      ILE1109   2.786  -8.504   6.956
   67   1HG2  ILE1109          1HG2      ILE1109   1.622  -9.926  10.722
   68   2HG2  ILE1109          2HG2      ILE1109   1.343 -11.129   9.462
   69   3HG2  ILE1109          3HG2      ILE1109   0.485  -9.587   9.415
   70   1HD1  ILE1109          1HD1      ILE1109   2.599 -10.560   6.015
   71   2HD1  ILE1109          2HD1      ILE1109   0.918 -10.038   5.904
   72   3HD1  ILE1109          3HD1      ILE1109   1.423 -11.119   7.204
   73    H    SER1110           H        SER1110   5.046  -8.550  11.214
   74    HA   SER1110           HA       SER1110   7.131  -7.631   9.418
   75   1HB   SER1110          2HB       SER1110   8.493  -8.385  11.618
   76   2HB   SER1110          1HB       SER1110   7.690  -6.822  11.476
   77    HG   SER1110           HG       SER1110   7.094  -7.817  13.409
   78    H    SER1111           H        SER1111   8.475  -8.888   8.297
   79    HA   SER1111           HA       SER1111   8.511 -11.771   8.909
   80   1HB   SER1111          2HB       SER1111   8.498 -12.311   6.619
   81   2HB   SER1111          1HB       SER1111   7.317 -11.007   6.751
   82    HG   SER1111           HG       SER1111   9.120  -9.584   6.164
   83    H    ALA1112           H        ALA1112  10.440 -12.565   9.412
   84    HA   ALA1112           HA       ALA1112  12.846 -11.700   8.114
   85   1HB   ALA1112          1HB       ALA1112  12.142 -10.650  10.781
   86   2HB   ALA1112          2HB       ALA1112  13.177  -9.968   9.526
   87   3HB   ALA1112          3HB       ALA1112  13.793 -11.237  10.584
   88    H    LYS1113           H        LYS1113  12.659 -14.003   7.658
   89    HA   LYS1113           HA       LYS1113  13.315 -15.750   9.921
   90   1HB   LYS1113          2HB       LYS1113  12.160 -16.231   7.197
   91   2HB   LYS1113          1HB       LYS1113  12.942 -17.547   8.063
   92   1HG   LYS1113          2HG       LYS1113  10.804 -15.930   9.384
   93   2HG   LYS1113          1HG       LYS1113  10.387 -17.231   8.267
   94   1HD   LYS1113          2HD       LYS1113  11.619 -18.825   9.616
   95   2HD   LYS1113          1HD       LYS1113  12.146 -17.535  10.700
   96   1HE   LYS1113          2HE       LYS1113  10.045 -17.280  11.631
   97   2HE   LYS1113          1HE       LYS1113   9.230 -17.988  10.238
   98   1HZ   LYS1113          1HZ       LYS1113  10.062 -20.151  10.872
   99   2HZ   LYS1113          2HZ       LYS1113   9.213 -19.465  12.165
  100   3HZ   LYS1113          3HZ       LYS1113  10.904 -19.486  12.182
  101    H    ASP 658           H        ASP 658  16.895  -8.484  -7.895
  102    HA   ASP 658           HA       ASP 658  18.466  -8.134  -5.428
  103   1HB   ASP 658          2HB       ASP 658  18.926  -6.889  -7.764
  104   2HB   ASP 658          1HB       ASP 658  17.752  -5.771  -7.077
  105    H    SER 659           H        SER 659  15.428  -7.439  -7.033
  106    HA   SER 659           HA       SER 659  14.381  -5.775  -4.964
  107   1HB   SER 659          2HB       SER 659  13.618  -5.856  -7.401
  108   2HB   SER 659          1HB       SER 659  12.748  -7.328  -6.972
  109    HG   SER 659           HG       SER 659  11.306  -6.177  -5.951
  110    H    SER 660           H        SER 660  14.536  -6.814  -3.000
  111    HA   SER 660           HA       SER 660  12.833  -9.196  -2.685
  112   1HB   SER 660          2HB       SER 660  15.547  -8.590  -1.600
  113   2HB   SER 660          1HB       SER 660  14.436  -9.520  -0.594
  114    HG   SER 660           HG       SER 660  15.566 -10.967  -1.834
  115    H    GLU 661           H        GLU 661  14.078  -6.272  -1.149
  116    HA   GLU 661           HA       GLU 661  11.565  -6.023   0.315
  117   1HB   GLU 661          2HB       GLU 661  14.283  -5.914   1.636
  118   2HB   GLU 661          1HB       GLU 661  12.771  -5.461   2.411
  119   1HG   GLU 661          2HG       GLU 661  12.725  -7.561   3.142
  120   2HG   GLU 661          1HG       GLU 661  12.215  -7.975   1.506
  121    H    SER 662           H        SER 662  10.883  -3.952   0.559
  122    HA   SER 662           HA       SER 662  12.506  -1.670   0.592
  123   1HB   SER 662          2HB       SER 662  11.497  -0.912  -1.789
  124   2HB   SER 662          1HB       SER 662  13.085  -1.657  -1.610
  125    HG   SER 662           HG       SER 662  12.296  -3.550  -2.334
  126    H    CYS 663           H        CYS 663  11.348   0.040   1.300
  127    HA   CYS 663           HA       CYS 663   8.623  -0.338   2.004
  128   1HB   CYS 663          2HB       CYS 663  10.452   1.072   3.169
  129   2HB   CYS 663          1HB       CYS 663  10.027   2.315   2.003
  130    H    TRP 664           H        TRP 664   6.842   0.092   0.880
  131    HA   TRP 664           HA       TRP 664   6.907   0.988  -1.786
  132   1HB   TRP 664          2HB       TRP 664   4.647   0.667   0.186
  133   2HB   TRP 664          1HB       TRP 664   4.383   1.181  -1.477
  134    HD1  TRP 664           HD       TRP 664   6.931  -1.547  -0.592
  135    HE1  TRP 664           1HE      TRP 664   6.130  -3.772  -1.612
  136    HE3  TRP 664           3HE      TRP 664   2.320  -0.075  -2.271
  137    HZ2  TRP 664           2HZ      TRP 664   3.858  -4.770  -2.947
  138    HZ3  TRP 664           3HZ      TRP 664   0.901  -1.733  -3.407
  139    HH2  TRP 664           HH       TRP 664   1.653  -4.027  -3.736
  140    H    ASN 665           H        ASN 665   6.643   2.689   1.219
  141    HA   ASN 665           HA       ASN 665   5.791   5.157  -0.097
  142   1HB   ASN 665          2HB       ASN 665   4.586   4.941   1.867
  143   2HB   ASN 665          1HB       ASN 665   5.928   4.208   2.737
  144   1HD2  ASN 665          1HD2      ASN 665   6.602   5.443   4.316
  145   2HD2  ASN 665          2HD2      ASN 665   6.709   7.167   4.298
  146    H    CYS 666           H        CYS 666   8.297   4.294   2.304
  147    HA   CYS 666           HA       CYS 666   9.825   6.589   2.026
  148   1HB   CYS 666          2HB       CYS 666  10.585   3.796   2.858
  149   2HB   CYS 666          1HB       CYS 666  11.736   5.124   2.875
  150    H    GLY 667           H        GLY 667  10.591   3.399   0.551
  151   1HA   GLY 667          2HA       GLY 667  11.166   3.209  -1.767
  152   2HA   GLY 667          1HA       GLY 667  11.715   4.878  -1.730
  153    H    ARG 668           H        ARG 668  12.564   2.746   0.867
  154    HA   ARG 668           HA       ARG 668  15.259   2.422  -0.264
  155   1HB   ARG 668          2HB       ARG 668  14.582   4.072   1.899
  156   2HB   ARG 668          1HB       ARG 668  15.310   2.643   2.622
  157   1HG   ARG 668          2HG       ARG 668  17.229   2.952   1.019
  158   2HG   ARG 668          1HG       ARG 668  16.525   4.519   0.616
  159   1HD   ARG 668          2HD       ARG 668  18.038   5.080   2.268
  160   2HD   ARG 668          1HD       ARG 668  16.543   4.897   3.184
  161    HE   ARG 668           HE       ARG 668  17.479   3.121   4.276
  162   1HH1  ARG 668          1HH1      ARG 668  19.334   3.757   1.390
  163   2HH1  ARG 668          2HH1      ARG 668  20.576   2.618   1.787
  164   1HH2  ARG 668          1HH2      ARG 668  19.112   1.624   4.802
  165   2HH2  ARG 668          2HH2      ARG 668  20.450   1.407   3.724
  166    H    LYS 669           H        LYS 669  13.720   1.459   2.800
  167    HA   LYS 669           HA       LYS 669  13.815  -1.334   1.984
  168   1HB   LYS 669          2HB       LYS 669  15.470  -0.128   4.166
  169   2HB   LYS 669          1HB       LYS 669  14.891  -1.781   4.329
  170   1HG   LYS 669          2HG       LYS 669  16.400  -0.842   1.914
  171   2HG   LYS 669          1HG       LYS 669  17.205  -1.469   3.354
  172   1HD   LYS 669          2HD       LYS 669  15.000  -3.062   2.140
  173   2HD   LYS 669          1HD       LYS 669  16.574  -3.052   1.341
  174   1HE   LYS 669          2HE       LYS 669  17.575  -3.665   3.575
  175   2HE   LYS 669          1HE       LYS 669  15.928  -3.924   4.149
  176   1HZ   LYS 669          1HZ       LYS 669  17.429  -5.826   3.046
  177   2HZ   LYS 669          2HZ       LYS 669  16.615  -5.269   1.672
  178   3HZ   LYS 669          3HZ       LYS 669  15.737  -5.832   3.003
  179    H    ALA 670           H        ALA 670  12.494  -2.704   3.179
  180    HA   ALA 670           HA       ALA 670  10.838  -1.518   5.283
  181   1HB   ALA 670          1HB       ALA 670   9.268  -1.158   3.685
  182   2HB   ALA 670          2HB       ALA 670   8.905  -2.852   4.017
  183   3HB   ALA 670          3HB       ALA 670   9.898  -2.419   2.626
  184    H    SER 671           H        SER 671  10.115  -2.960   6.819
  185    HA   SER 671           HA       SER 671  10.985  -5.756   6.478
  186   1HB   SER 671          2HB       SER 671  11.345  -3.848   8.728
  187   2HB   SER 671          1HB       SER 671  11.018  -5.529   9.146
  188    HG   SER 671           HG       SER 671  13.315  -4.733   8.735
  189    H    GLU 672           H        GLU 672   8.305  -3.806   6.795
  190    HA   GLU 672           HA       GLU 672   6.768  -5.921   8.148
  191   1HB   GLU 672          2HB       GLU 672   5.692  -3.162   7.658
  192   2HB   GLU 672          1HB       GLU 672   5.225  -4.330   8.884
  193   1HG   GLU 672          2HG       GLU 672   7.978  -3.201   8.958
  194   2HG   GLU 672          1HG       GLU 672   6.627  -2.206   9.498
  195    H    THR 673           H        THR 673   4.653  -6.416   7.303
  196    HA   THR 673           HA       THR 673   4.338  -5.815   4.443
  197    HB   THR 673           HB       THR 673   4.128  -8.534   5.752
  198    HG1  THR 673           1HG      THR 673   6.241  -7.858   5.222
  199   1HG2  THR 673          1HG2      THR 673   2.918  -9.296   4.068
  200   2HG2  THR 673          2HG2      THR 673   4.046  -8.616   2.895
  201   3HG2  THR 673          3HG2      THR 673   2.711  -7.637   3.506
  202    H    CYS 674           H        CYS 674   2.289  -5.507   3.726
  203    HA   CYS 674           HA       CYS 674   0.269  -4.923   5.638
  204   1HB   CYS 674          2HB       CYS 674   0.388  -3.670   3.570
  205   2HB   CYS 674          1HB       CYS 674   0.181  -5.138   2.622
  206    H    SER 675           H        SER 675  -0.669  -6.516   6.756
  207    HA   SER 675           HA       SER 675  -0.953  -9.173   5.836
  208   1HB   SER 675          2HB       SER 675  -1.976  -9.632   7.901
  209   2HB   SER 675          1HB       SER 675  -0.877  -8.300   8.257
  210    HG   SER 675           HG       SER 675  -2.618  -6.889   8.200
  211    H    GLY 676           H        GLY 676  -2.739  -6.430   5.039
  212   1HA   GLY 676          2HA       GLY 676  -5.326  -7.659   4.834
  213   2HA   GLY 676          1HA       GLY 676  -4.852  -6.109   4.157
  214    H    CYS 677           H        CYS 677  -2.848  -6.731   2.445
  215    HA   CYS 677           HA       CYS 677  -4.190  -8.505   0.521
  216   1HB   CYS 677          2HB       CYS 677  -3.020  -7.209  -1.236
  217   2HB   CYS 677          1HB       CYS 677  -4.093  -6.212  -0.261
  218    H    ASN 678           H        ASN 678  -1.466  -8.215   2.493
  219    HA   ASN 678           HA       ASN 678   0.447  -9.417   2.720
  220   1HB   ASN 678          2HB       ASN 678  -1.478 -11.209   1.529
  221   2HB   ASN 678          1HB       ASN 678   0.145 -11.598   0.967
  222   1HD2  ASN 678          1HD2      ASN 678   1.801 -11.420   2.878
  223   2HD2  ASN 678          2HD2      ASN 678   1.342 -12.295   4.295
  224    H    THR 679           H        THR 679   0.078  -7.469   0.459
  225    HA   THR 679           HA       THR 679   2.287  -8.434  -1.232
  226    HB   THR 679           HB       THR 679  -0.018  -6.646  -2.010
  227    HG1  THR 679           1HG      THR 679   0.655  -9.320  -2.633
  228   1HG2  THR 679          1HG2      THR 679   1.160  -5.934  -3.732
  229   2HG2  THR 679          2HG2      THR 679   1.342  -7.601  -4.278
  230   3HG2  THR 679          3HG2      THR 679   2.551  -6.886  -3.211
  231    H    ALA 680           H        ALA 680   0.837  -5.667   0.372
  232    HA   ALA 680           HA       ALA 680   2.831  -3.797  -0.434
  233   1HB   ALA 680          1HB       ALA 680   0.371  -3.737   0.999
  234   2HB   ALA 680          2HB       ALA 680   1.273  -2.400   0.286
  235   3HB   ALA 680          3HB       ALA 680   1.604  -2.901   1.944
  236    H    ARG 681           H        ARG 681   4.392  -2.768   0.892
  237    HA   ARG 681           HA       ARG 681   5.218  -4.217   3.302
  238   1HB   ARG 681          2HB       ARG 681   7.017  -3.547   0.964
  239   2HB   ARG 681          1HB       ARG 681   7.587  -4.110   2.530
  240   1HG   ARG 681          2HG       ARG 681   5.592  -5.733   1.023
  241   2HG   ARG 681          1HG       ARG 681   7.294  -5.782   0.561
  242   1HD   ARG 681          2HD       ARG 681   6.454  -6.175   3.410
  243   2HD   ARG 681          1HD       ARG 681   6.416  -7.513   2.262
  244    HE   ARG 681           HE       ARG 681   8.923  -6.083   2.378
  245   1HH1  ARG 681          1HH1      ARG 681   7.046  -8.743   3.640
  246   2HH1  ARG 681          2HH1      ARG 681   8.434  -9.623   4.187
  247   1HH2  ARG 681          1HH2      ARG 681  10.746  -7.238   3.098
  248   2HH2  ARG 681          2HH2      ARG 681  10.533  -8.769   3.880
  249    H    TYR 682           H        TYR 682   6.168  -2.939   4.867
  250    HA   TYR 682           HA       TYR 682   6.935  -0.214   4.249
  251   1HB   TYR 682          2HB       TYR 682   4.607  -0.850   6.068
  252   2HB   TYR 682          1HB       TYR 682   5.424   0.708   6.038
  253    HD1  TYR 682           1HD      TYR 682   5.395   2.046   3.892
  254    HD2  TYR 682           2HD      TYR 682   2.935  -1.372   4.493
  255    HE1  TYR 682           1HE      TYR 682   3.937   2.778   2.050
  256    HE2  TYR 682           2HE      TYR 682   1.471  -0.651   2.653
  257    HH   TYR 682           HH       TYR 682   2.337   1.801   0.469
  258    H    CYS 683           H        CYS 683   8.210   0.752   5.873
  259    HA   CYS 683           HA       CYS 683   9.381  -1.188   7.700
  260   1HB   CYS 683          2HB       CYS 683  11.243   0.323   7.900
  261   2HB   CYS 683          1HB       CYS 683  10.841   0.159   6.196
  262    H    GLY 684           H        GLY 684   7.223   1.500   7.783
  263   1HA   GLY 684          2HA       GLY 684   7.133   1.264  10.694
  264   2HA   GLY 684          1HA       GLY 684   7.497   2.854  10.040
  265    H    SER 685           H        SER 685   5.216   1.930  11.643
  266    HA   SER 685           HA       SER 685   2.865   1.519  10.313
  267   1HB   SER 685          2HB       SER 685   1.900   3.095  12.201
  268   2HB   SER 685          1HB       SER 685   2.594   1.525  12.606
  269    HG   SER 685           HG       SER 685   3.803   4.078  12.825
  270    H    PHE 686           H        PHE 686   4.562   4.596  10.721
  271    HA   PHE 686           HA       PHE 686   2.534   6.211   9.591
  272   1HB   PHE 686          2HB       PHE 686   4.294   7.924   9.360
  273   2HB   PHE 686          1HB       PHE 686   4.298   7.187  10.957
  274    HD1  PHE 686           1HD      PHE 686   6.071   5.574  11.566
  275    HD2  PHE 686           2HD      PHE 686   6.158   7.748   7.909
  276    HE1  PHE 686           1HE      PHE 686   8.463   5.059  11.322
  277    HE2  PHE 686           2HE      PHE 686   8.552   7.236   7.658
  278    HZ   PHE 686           HZ       PHE 686   9.708   5.889   9.366
  279    H    CYS 687           H        CYS 687   5.175   4.359   8.211
  280    HA   CYS 687           HA       CYS 687   5.160   5.510   5.646
  281   1HB   CYS 687          2HB       CYS 687   5.903   2.694   6.454
  282   2HB   CYS 687          1HB       CYS 687   6.332   3.474   4.934
  283    H    GLN 688           H        GLN 688   3.372   2.760   6.980
  284    HA   GLN 688           HA       GLN 688   2.175   2.000   4.538
  285   1HB   GLN 688          2HB       GLN 688   0.741   0.591   5.811
  286   2HB   GLN 688          1HB       GLN 688   2.328   0.552   6.561
  287   1HG   GLN 688          2HG       GLN 688   1.484   1.193   8.498
  288   2HG   GLN 688          1HG       GLN 688   0.743   2.610   7.764
  289   1HE2  GLN 688          1HE2      GLN 688   0.073  -0.757   7.015
  290   2HE2  GLN 688          2HE2      GLN 688  -1.570  -0.734   7.537
  291    H    HIS 689           H        HIS 689   1.222   4.276   7.050
  292    HA   HIS 689           HA       HIS 689  -1.381   4.773   6.025
  293   1HB   HIS 689          2HB       HIS 689   0.387   6.000   8.072
  294   2HB   HIS 689          1HB       HIS 689  -0.906   7.005   7.425
  295    HD1  HIS 689           1HD      HIS 689  -1.612   6.729  10.093
  296    HD2  HIS 689           2HD      HIS 689  -2.168   3.469   7.579
  297    HE1  HIS 689           1HE      HIS 689  -3.261   5.245  11.276
  298    HE2  HIS 689           2HE      HIS 689  -3.656   3.326   9.691
  299    H    LYS 690           H        LYS 690   1.772   6.249   5.519
  300    HA   LYS 690           HA       LYS 690   0.998   8.567   4.183
  301   1HB   LYS 690          2HB       LYS 690   3.350   7.675   4.951
  302   2HB   LYS 690          1HB       LYS 690   3.431   7.059   3.309
  303   1HG   LYS 690          2HG       LYS 690   3.148   9.923   4.176
  304   2HG   LYS 690          1HG       LYS 690   4.522   9.173   3.364
  305   1HD   LYS 690          2HD       LYS 690   1.763   9.556   2.202
  306   2HD   LYS 690          1HD       LYS 690   3.194  10.507   1.807
  307   1HE   LYS 690          2HE       LYS 690   3.721   7.687   1.496
  308   2HE   LYS 690          1HE       LYS 690   2.309   8.165   0.557
  309   1HZ   LYS 690          1HZ       LYS 690   5.096   8.903   0.217
  310   2HZ   LYS 690          2HZ       LYS 690   3.976  10.144  -0.034
  311   3HZ   LYS 690          3HZ       LYS 690   3.874   8.719  -0.940
  312    H    ASP 691           H        ASP 691   1.873   5.407   2.804
  313    HA   ASP 691           HA       ASP 691   0.973   6.229   0.177
  314   1HB   ASP 691          2HB       ASP 691   2.395   3.875   1.309
  315   2HB   ASP 691          1HB       ASP 691   1.471   3.623  -0.168
  316    H    TRP 692           H        TRP 692  -0.480   4.970   2.935
  317    HA   TRP 692           HA       TRP 692  -2.234   3.048   2.157
  318   1HB   TRP 692          2HB       TRP 692  -2.107   3.894   4.447
  319   2HB   TRP 692          1HB       TRP 692  -2.854   5.406   3.944
  320    HD1  TRP 692           HD       TRP 692  -5.134   5.344   5.144
  321    HE1  TRP 692           1HE      TRP 692  -7.127   3.712   5.188
  322    HE3  TRP 692           3HE      TRP 692  -3.071   1.449   2.543
  323    HZ2  TRP 692           2HZ      TRP 692  -7.744   1.131   4.247
  324    HZ3  TRP 692           3HZ      TRP 692  -4.432  -0.561   2.158
  325    HH2  TRP 692           HH       TRP 692  -6.720  -0.715   2.996
  326    H    GLU 693           H        GLU 693  -2.660   6.548   1.645
  327    HA   GLU 693           HA       GLU 693  -5.215   6.547   0.630
  328   1HB   GLU 693          2HB       GLU 693  -4.823   8.714   0.265
  329   2HB   GLU 693          1HB       GLU 693  -3.225   8.418   0.933
  330   1HG   GLU 693          2HG       GLU 693  -2.399   7.992  -1.363
  331   2HG   GLU 693          1HG       GLU 693  -3.994   8.429  -1.977
  332    H    LYS 694           H        LYS 694  -2.190   5.916  -1.116
  333    HA   LYS 694           HA       LYS 694  -3.633   5.480  -3.587
  334   1HB   LYS 694          2HB       LYS 694  -1.393   5.036  -4.540
  335   2HB   LYS 694          1HB       LYS 694  -1.500   6.595  -3.734
  336   1HG   LYS 694          2HG       LYS 694  -0.344   5.714  -1.801
  337   2HG   LYS 694          1HG       LYS 694  -0.303   4.108  -2.532
  338   1HD   LYS 694          2HD       LYS 694   1.805   4.918  -3.027
  339   2HD   LYS 694          1HD       LYS 694   0.905   5.321  -4.489
  340   1HE   LYS 694          2HE       LYS 694   0.938   7.557  -4.060
  341   2HE   LYS 694          1HE       LYS 694   0.936   7.332  -2.311
  342   1HZ   LYS 694          1HZ       LYS 694   3.069   8.119  -3.664
  343   2HZ   LYS 694          2HZ       LYS 694   3.320   6.447  -3.729
  344   3HZ   LYS 694          3HZ       LYS 694   3.174   7.222  -2.232
  345    H    HIS 695           H        HIS 695  -1.736   3.557  -1.280
  346    HA   HIS 695           HA       HIS 695  -1.855   1.131  -2.647
  347   1HB   HIS 695          2HB       HIS 695  -0.323   1.488  -0.798
  348   2HB   HIS 695          1HB       HIS 695  -1.671   1.638   0.325
  349    HD1  HIS 695           1HD      HIS 695  -0.560  -1.032  -2.184
  350    HD2  HIS 695           2HD      HIS 695  -2.010  -0.629   1.688
  351    HE1  HIS 695           1HE      HIS 695  -0.738  -3.374  -1.247
  352    H    HIS 696           H        HIS 696  -4.121   2.482  -0.258
  353    HA   HIS 696           HA       HIS 696  -5.668   0.233   0.126
  354   1HB   HIS 696          2HB       HIS 696  -7.375   1.616   1.009
  355   2HB   HIS 696          1HB       HIS 696  -5.837   2.345   1.437
  356    HD1  HIS 696           1HD      HIS 696  -8.246   2.776  -1.502
  357    HD2  HIS 696           2HD      HIS 696  -6.040   4.988   1.230
  358    HE1  HIS 696           1HE      HIS 696  -8.760   5.185  -2.009
  359    HE2  HIS 696           2HE      HIS 696  -7.332   6.505  -0.416
  360    H    HIS 697           H        HIS 697  -5.625   2.334  -2.685
  361    HA   HIS 697           HA       HIS 697  -8.148   1.631  -3.740
  362   1HB   HIS 697          2HB       HIS 697  -5.614   2.208  -5.295
  363   2HB   HIS 697          1HB       HIS 697  -7.261   2.316  -5.899
  364    HD1  HIS 697           1HD      HIS 697  -8.671   4.100  -4.016
  365    HD2  HIS 697           2HD      HIS 697  -4.693   4.705  -5.041
  366    HE1  HIS 697           1HE      HIS 697  -8.226   6.537  -3.581
  367    HE2  HIS 697           2HE      HIS 697  -5.790   6.860  -4.128
  368    H    ILE 698           H        ILE 698  -5.045   0.027  -3.625
  369    HA   ILE 698           HA       ILE 698  -5.892  -2.066  -5.460
  370    HB   ILE 698           HB       ILE 698  -3.323  -2.172  -3.933
  371   1HG1  ILE 698          2HG1      ILE 698  -3.577  -0.628  -6.511
  372   2HG1  ILE 698          1HG1      ILE 698  -3.676   0.164  -4.942
  373   1HG2  ILE 698          1HG2      ILE 698  -4.349  -3.176  -6.554
  374   2HG2  ILE 698          2HG2      ILE 698  -3.617  -4.072  -5.223
  375   3HG2  ILE 698          3HG2      ILE 698  -2.617  -3.048  -6.253
  376   1HD1  ILE 698          1HD1      ILE 698  -1.341  -1.480  -5.882
  377   2HD1  ILE 698          2HD1      ILE 698  -1.444  -0.541  -4.393
  378   3HD1  ILE 698          3HD1      ILE 698  -1.437   0.279  -5.954
  379    H    CYS 699           H        CYS 699  -4.668  -1.868  -2.122
  380    HA   CYS 699           HA       CYS 699  -4.737  -4.380  -1.223
  381   1HB   CYS 699          2HB       CYS 699  -4.411  -2.145   0.050
  382   2HB   CYS 699          1HB       CYS 699  -6.125  -2.288   0.420
  383    H    GLY 700           H        GLY 700  -6.230  -5.726  -0.082
  384   1HA   GLY 700          2HA       GLY 700  -8.224  -6.814   0.222
  385   2HA   GLY 700          1HA       GLY 700  -9.031  -5.289  -0.112
  386    H    GLN 701           H        GLN 701  -6.842  -6.959  -2.305
  387    HA   GLN 701           HA       GLN 701  -8.957  -7.028  -4.305
  388   1HB   GLN 701          2HB       GLN 701  -6.493  -6.259  -4.662
  389   2HB   GLN 701          1HB       GLN 701  -6.149  -7.980  -4.767
  390   1HG   GLN 701          2HG       GLN 701  -7.184  -8.211  -6.768
  391   2HG   GLN 701          1HG       GLN 701  -8.367  -6.948  -6.428
  392   1HE2  GLN 701          1HE2      GLN 701  -7.590  -6.683  -8.806
  393   2HE2  GLN 701          2HE2      GLN 701  -6.342  -5.508  -9.032
  394    H    THR 702           H        THR 702  -9.691  -8.880  -5.323
  395    HA   THR 702           HA       THR 702  -9.362 -11.329  -3.774
  396    HB   THR 702           HB       THR 702 -11.179 -11.252  -6.119
  397    HG1  THR 702           1HG      THR 702 -11.730  -9.813  -3.739
  398   1HG2  THR 702          1HG2      THR 702 -11.219 -13.194  -4.698
  399   2HG2  THR 702          2HG2      THR 702 -12.736 -12.309  -4.543
  400   3HG2  THR 702          3HG2      THR 702 -11.512 -12.187  -3.280
  401    H    LEU 703           H        LEU 703  -7.223 -11.827  -4.486
  402    HA   LEU 703           HA       LEU 703  -6.992 -12.627  -7.302
  403   1HB   LEU 703          2HB       LEU 703  -5.304 -11.081  -6.026
  404   2HB   LEU 703          1HB       LEU 703  -4.690 -12.596  -5.392
  405    HG   LEU 703           HG       LEU 703  -4.702 -13.198  -8.014
  406   1HD1  LEU 703          1HD1      LEU 703  -5.434 -10.618  -8.191
  407   2HD1  LEU 703          2HD1      LEU 703  -4.499 -11.456  -9.430
  408   3HD1  LEU 703          3HD1      LEU 703  -3.680 -10.444  -8.240
  409   1HD2  LEU 703          1HD2      LEU 703  -2.396 -11.587  -7.056
  410   2HD2  LEU 703          2HD2      LEU 703  -2.425 -13.158  -7.858
  411   3HD2  LEU 703          3HD2      LEU 703  -2.841 -13.032  -6.149
  412    H    GLN 704           H        GLN 704  -7.336 -14.694  -7.738
  413    HA   GLN 704           HA       GLN 704  -7.424 -16.961  -7.573
  414   1HB   GLN 704          2HB       GLN 704  -5.027 -16.276  -5.924
  415   2HB   GLN 704          1HB       GLN 704  -5.624 -17.930  -5.905
  416   1HG   GLN 704          2HG       GLN 704  -5.151 -18.265  -8.147
  417   2HG   GLN 704          1HG       GLN 704  -5.108 -16.537  -8.497
  418   1HE2  GLN 704          1HE2      GLN 704  -3.085 -17.406  -9.568
  419   2HE2  GLN 704          2HE2      GLN 704  -1.638 -17.368  -8.624
  420    H    ALA 705           H        ALA 705  -9.538 -16.655  -6.584
  421    HA   ALA 705           HA       ALA 705  -9.573 -17.688  -3.832
  422   1HB   ALA 705          1HB       ALA 705 -11.131 -15.359  -4.917
  423   2HB   ALA 705          2HB       ALA 705 -10.089 -15.421  -3.495
  424   3HB   ALA 705          3HB       ALA 705 -11.645 -16.250  -3.485
  425    H    GLN 706           H        GLN 706 -11.534 -17.080  -6.739
  426    HA   GLN 706           HA       GLN 706 -13.225 -19.368  -6.065
  427   1HB   GLN 706          2HB       GLN 706 -13.531 -17.409  -8.345
  428   2HB   GLN 706          1HB       GLN 706 -14.725 -18.574  -7.788
  429   1HG   GLN 706          2HG       GLN 706 -15.567 -17.004  -6.482
  430   2HG   GLN 706          1HG       GLN 706 -14.074 -17.036  -5.546
  431   1HE2  GLN 706          1HE2      GLN 706 -13.889 -14.915  -5.078
  432   2HE2  GLN 706          2HE2      GLN 706 -13.696 -13.668  -6.258
  433    H    GLN 707           H        GLN 707 -14.023 -20.385  -8.380
  434    HA   GLN 707           HA       GLN 707 -11.542 -21.389  -9.610
  435   1HB   GLN 707          2HB       GLN 707 -13.385 -22.857  -8.284
  436   2HB   GLN 707          1HB       GLN 707 -14.038 -22.950  -9.914
  437   1HG   GLN 707          2HG       GLN 707 -12.049 -23.945 -10.743
  438   2HG   GLN 707          1HG       GLN 707 -11.188 -23.624  -9.239
  439   1HE2  GLN 707          1HE2      GLN 707 -10.814 -25.456  -8.231
  440   2HE2  GLN 707          2HE2      GLN 707 -11.929 -26.762  -8.038
  Start of MODEL   25
    1    H    THR1101           H        THR1101 -10.545  12.145   6.922
    2    HA   THR1101           HA       THR1101  -7.864  11.590   5.885
    3    HB   THR1101           HB       THR1101  -9.222  10.265   8.197
    4    HG1  THR1101           1HG      THR1101  -8.156  12.890   8.219
    5   1HG2  THR1101          1HG2      THR1101  -6.459  10.791   7.327
    6   2HG2  THR1101          2HG2      THR1101  -7.143   9.411   8.186
    7   3HG2  THR1101          3HG2      THR1101  -6.773  10.898   9.059
    8    H    ILE1102           H        ILE1102  -7.509   9.081   6.096
    9    HA   ILE1102           HA       ILE1102  -9.558   7.834   4.401
   10    HB   ILE1102           HB       ILE1102  -6.773   6.788   4.886
   11   1HG1  ILE1102          2HG1      ILE1102  -7.448   8.244   2.374
   12   2HG1  ILE1102          1HG1      ILE1102  -7.112   9.208   3.808
   13   1HG2  ILE1102          1HG2      ILE1102  -8.890   6.249   2.818
   14   2HG2  ILE1102          2HG2      ILE1102  -8.200   5.124   3.987
   15   3HG2  ILE1102          3HG2      ILE1102  -7.216   5.718   2.651
   16   1HD1  ILE1102          1HD1      ILE1102  -5.092   7.257   3.647
   17   2HD1  ILE1102          2HD1      ILE1102  -4.954   8.998   3.399
   18   3HD1  ILE1102          3HD1      ILE1102  -5.292   7.936   2.032
   19    H    SER1103           H        SER1103  -9.998   5.523   4.736
   20    HA   SER1103           HA       SER1103 -10.868   4.946   7.305
   21   1HB   SER1103          2HB       SER1103 -10.137   2.825   5.285
   22   2HB   SER1103          1HB       SER1103 -11.403   2.768   6.512
   23    HG   SER1103           HG       SER1103 -12.694   3.792   5.206
   24    H    ASN1104           H        ASN1104 -10.128   2.558   8.190
   25    HA   ASN1104           HA       ASN1104  -7.354   2.993   9.018
   26   1HB   ASN1104          2HB       ASN1104  -9.610   1.383  10.207
   27   2HB   ASN1104          1HB       ASN1104  -7.954   1.283  10.798
   28   1HD2  ASN1104          1HD2      ASN1104  -8.377   2.119  12.795
   29   2HD2  ASN1104          2HD2      ASN1104  -8.829   3.766  13.059
   30    HA   PRO1105           HA       PRO1105  -6.473  -0.420   6.165
   31   1HB   PRO1105          2HB       PRO1105  -3.766  -0.183   6.323
   32   2HB   PRO1105          1HB       PRO1105  -4.768   0.825   5.276
   33   1HG   PRO1105          2HG       PRO1105  -3.612   1.444   7.963
   34   2HG   PRO1105          1HG       PRO1105  -3.721   2.478   6.526
   35   1HD   PRO1105          2HD       PRO1105  -5.434   2.697   8.609
   36   2HD   PRO1105          1HD       PRO1105  -5.920   3.032   6.934
   37    HA   PRO1106           HA       PRO1106  -5.890  -3.788   8.974
   38   1HB   PRO1106          2HB       PRO1106  -4.129  -4.902   6.840
   39   2HB   PRO1106          1HB       PRO1106  -5.498  -5.649   7.672
   40   1HG   PRO1106          2HG       PRO1106  -5.761  -4.759   5.182
   41   2HG   PRO1106          1HG       PRO1106  -7.066  -4.544   6.362
   42   1HD   PRO1106          2HD       PRO1106  -5.097  -2.553   5.326
   43   2HD   PRO1106          1HD       PRO1106  -6.807  -2.335   5.748
   44    HA   PRO1107           HA       PRO1107  -1.952  -3.295  10.900
   45   1HB   PRO1107          2HB       PRO1107  -1.462  -5.722  11.977
   46   2HB   PRO1107          1HB       PRO1107  -2.746  -4.665  12.575
   47   1HG   PRO1107          2HG       PRO1107  -2.933  -7.017  10.732
   48   2HG   PRO1107          1HG       PRO1107  -3.985  -6.571  12.088
   49   1HD   PRO1107          2HD       PRO1107  -4.613  -6.069   9.485
   50   2HD   PRO1107          1HD       PRO1107  -5.171  -5.057  10.831
   51    H    LEU1108           H        LEU1108   0.302  -3.968  10.956
   52    HA   LEU1108           HA       LEU1108   1.128  -5.075   8.374
   53   1HB   LEU1108          2HB       LEU1108   2.250  -3.134  10.291
   54   2HB   LEU1108          1HB       LEU1108   3.422  -4.179   9.513
   55    HG   LEU1108           HG       LEU1108   2.754  -3.406   7.328
   56   1HD1  LEU1108          1HD1      LEU1108   1.070  -1.567   7.136
   57   2HD1  LEU1108          2HD1      LEU1108   0.623  -1.883   8.812
   58   3HD1  LEU1108          3HD1      LEU1108   0.401  -3.134   7.590
   59   1HD2  LEU1108          1HD2      LEU1108   4.292  -1.855   7.787
   60   2HD2  LEU1108          2HD2      LEU1108   3.680  -1.606   9.421
   61   3HD2  LEU1108          3HD2      LEU1108   2.940  -0.760   8.063
   62    H    ILE1109           H        ILE1109   2.643  -6.726   8.188
   63    HA   ILE1109           HA       ILE1109   3.092  -8.297  10.642
   64    HB   ILE1109           HB       ILE1109   3.432 -10.181   8.780
   65   1HG1  ILE1109          2HG1      ILE1109   1.229  -8.505   7.579
   66   2HG1  ILE1109          1HG1      ILE1109   2.880  -8.492   6.974
   67   1HG2  ILE1109          1HG2      ILE1109   1.746  -9.867  10.765
   68   2HG2  ILE1109          2HG2      ILE1109   1.456 -11.086   9.523
   69   3HG2  ILE1109          3HG2      ILE1109   0.600  -9.544   9.461
   70   1HD1  ILE1109          1HD1      ILE1109   2.757 -10.730   6.282
   71   2HD1  ILE1109          2HD1      ILE1109   1.240  -9.987   5.775
   72   3HD1  ILE1109          3HD1      ILE1109   1.282 -11.015   7.207
   73    H    SER1110           H        SER1110   5.147  -8.487  11.247
   74    HA   SER1110           HA       SER1110   7.255  -7.586   9.481
   75   1HB   SER1110          2HB       SER1110   8.669  -8.238  11.585
   76   2HB   SER1110          1HB       SER1110   7.625  -6.818  11.645
   77    HG   SER1110           HG       SER1110   7.262  -9.349  12.819
   78    H    SER1111           H        SER1111   8.646  -8.817   8.383
   79    HA   SER1111           HA       SER1111   8.767 -11.692   8.994
   80   1HB   SER1111          2HB       SER1111   8.880 -12.124   6.525
   81   2HB   SER1111          1HB       SER1111   7.321 -11.506   7.071
   82    HG   SER1111           HG       SER1111   9.386  -9.893   5.982
   83    H    ALA1112           H        ALA1112  10.777 -12.140   9.581
   84    HA   ALA1112           HA       ALA1112  12.991 -11.221   7.924
   85   1HB   ALA1112          1HB       ALA1112  14.062  -9.964   9.460
   86   2HB   ALA1112          2HB       ALA1112  13.524 -10.963  10.810
   87   3HB   ALA1112          3HB       ALA1112  12.438  -9.757  10.119
   88    H    LYS1113           H        LYS1113  14.057 -13.004   7.399
   89    HA   LYS1113           HA       LYS1113  14.423 -15.082   9.458
   90   1HB   LYS1113          2HB       LYS1113  13.665 -15.336   6.570
   91   2HB   LYS1113          1HB       LYS1113  14.565 -16.629   7.351
   92   1HG   LYS1113          2HG       LYS1113  12.374 -15.865   9.019
   93   2HG   LYS1113          1HG       LYS1113  11.790 -16.174   7.384
   94   1HD   LYS1113          2HD       LYS1113  12.248 -18.383   7.497
   95   2HD   LYS1113          1HD       LYS1113  13.724 -18.133   8.433
   96   1HE   LYS1113          2HE       LYS1113  12.012 -17.450  10.315
   97   2HE   LYS1113          1HE       LYS1113  10.909 -18.440   9.359
   98   1HZ   LYS1113          1HZ       LYS1113  12.235 -20.328   9.669
   99   2HZ   LYS1113          2HZ       LYS1113  12.182 -19.595  11.193
  100   3HZ   LYS1113          3HZ       LYS1113  13.559 -19.433  10.224
  101    H    ASP 658           H        ASP 658  18.221 -10.529  -8.988
  102    HA   ASP 658           HA       ASP 658  15.478 -10.965  -8.019
  103   1HB   ASP 658          2HB       ASP 658  17.042 -12.874  -7.757
  104   2HB   ASP 658          1HB       ASP 658  18.081 -11.858  -6.762
  105    H    SER 659           H        SER 659  14.937  -8.821  -7.620
  106    HA   SER 659           HA       SER 659  16.420  -7.562  -5.406
  107   1HB   SER 659          2HB       SER 659  15.000  -6.128  -7.663
  108   2HB   SER 659          1HB       SER 659  15.885  -5.370  -6.340
  109    HG   SER 659           HG       SER 659  17.772  -6.428  -7.131
  110    H    SER 660           H        SER 660  15.257  -7.410  -3.616
  111    HA   SER 660           HA       SER 660  12.418  -6.762  -3.779
  112   1HB   SER 660          2HB       SER 660  13.459  -9.381  -3.042
  113   2HB   SER 660          1HB       SER 660  12.470  -8.680  -1.762
  114    HG   SER 660           HG       SER 660  11.692  -9.766  -4.087
  115    H    GLU 661           H        GLU 661  11.691  -6.935  -1.185
  116    HA   GLU 661           HA       GLU 661  11.774  -5.846   0.809
  117   1HB   GLU 661          2HB       GLU 661  14.509  -6.764   0.335
  118   2HB   GLU 661          1HB       GLU 661  14.434  -5.349   1.377
  119   1HG   GLU 661          2HG       GLU 661  12.666  -6.650   2.692
  120   2HG   GLU 661          1HG       GLU 661  13.244  -8.062   1.808
  121    H    SER 662           H        SER 662  10.897  -3.884   0.441
  122    HA   SER 662           HA       SER 662  12.510  -1.586   0.530
  123   1HB   SER 662          2HB       SER 662  11.521  -0.794  -1.837
  124   2HB   SER 662          1HB       SER 662  13.097  -1.567  -1.673
  125    HG   SER 662           HG       SER 662  12.246  -3.466  -2.371
  126    H    CYS 663           H        CYS 663  11.346   0.024   1.371
  127    HA   CYS 663           HA       CYS 663   8.628  -0.351   2.036
  128   1HB   CYS 663          2HB       CYS 663  10.421   1.064   3.225
  129   2HB   CYS 663          1HB       CYS 663  10.020   2.312   2.052
  130    H    TRP 664           H        TRP 664   6.830   0.086   0.941
  131    HA   TRP 664           HA       TRP 664   6.872   0.991  -1.724
  132   1HB   TRP 664          2HB       TRP 664   4.632   0.622   0.259
  133   2HB   TRP 664          1HB       TRP 664   4.345   1.165  -1.390
  134    HD1  TRP 664           HD       TRP 664   6.924  -1.556  -0.569
  135    HE1  TRP 664           1HE      TRP 664   6.142  -3.769  -1.631
  136    HE3  TRP 664           3HE      TRP 664   2.297  -0.095  -2.210
  137    HZ2  TRP 664           2HZ      TRP 664   3.877  -4.762  -2.979
  138    HZ3  TRP 664           3HZ      TRP 664   0.890  -1.745  -3.373
  139    HH2  TRP 664           HH       TRP 664   1.663  -4.025  -3.749
  140    H    ASN 665           H        ASN 665   6.730   2.686   1.267
  141    HA   ASN 665           HA       ASN 665   5.806   5.152  -0.015
  142   1HB   ASN 665          2HB       ASN 665   4.652   4.905   1.986
  143   2HB   ASN 665          1HB       ASN 665   6.038   4.216   2.823
  144   1HD2  ASN 665          1HD2      ASN 665   6.680   5.493   4.386
  145   2HD2  ASN 665          2HD2      ASN 665   6.764   7.218   4.333
  146    H    CYS 666           H        CYS 666   8.359   4.298   2.338
  147    HA   CYS 666           HA       CYS 666   9.885   6.591   2.008
  148   1HB   CYS 666          2HB       CYS 666  10.728   3.807   2.815
  149   2HB   CYS 666          1HB       CYS 666  11.790   5.207   2.900
  150    H    GLY 667           H        GLY 667  10.623   3.378   0.565
  151   1HA   GLY 667          2HA       GLY 667  11.157   3.161  -1.761
  152   2HA   GLY 667          1HA       GLY 667  11.714   4.827  -1.753
  153    H    ARG 668           H        ARG 668  12.588   2.676   0.832
  154    HA   ARG 668           HA       ARG 668  15.264   2.343  -0.340
  155   1HB   ARG 668          2HB       ARG 668  15.261   4.202   1.311
  156   2HB   ARG 668          1HB       ARG 668  14.714   3.072   2.542
  157   1HG   ARG 668          2HG       ARG 668  16.762   1.795   2.320
  158   2HG   ARG 668          1HG       ARG 668  17.306   2.863   1.024
  159   1HD   ARG 668          2HD       ARG 668  17.815   4.562   2.451
  160   2HD   ARG 668          1HD       ARG 668  16.549   4.124   3.597
  161    HE   ARG 668           HE       ARG 668  18.107   2.933   4.748
  162   1HH1  ARG 668          1HH1      ARG 668  19.211   3.255   1.453
  163   2HH1  ARG 668          2HH1      ARG 668  20.724   2.468   1.751
  164   1HH2  ARG 668          1HH2      ARG 668  20.097   1.899   5.142
  165   2HH2  ARG 668          2HH2      ARG 668  21.228   1.698   3.845
  166    H    LYS 669           H        LYS 669  13.695   1.409   2.725
  167    HA   LYS 669           HA       LYS 669  13.798  -1.387   1.945
  168   1HB   LYS 669          2HB       LYS 669  15.478  -0.185   4.114
  169   2HB   LYS 669          1HB       LYS 669  14.912  -1.843   4.260
  170   1HG   LYS 669          2HG       LYS 669  16.423  -0.834   1.870
  171   2HG   LYS 669          1HG       LYS 669  17.208  -1.540   3.285
  172   1HD   LYS 669          2HD       LYS 669  16.442  -3.645   2.830
  173   2HD   LYS 669          1HD       LYS 669  14.984  -3.058   2.027
  174   1HE   LYS 669          2HE       LYS 669  16.046  -3.654   0.141
  175   2HE   LYS 669          1HE       LYS 669  16.921  -2.139   0.358
  176   1HZ   LYS 669          1HZ       LYS 669  18.382  -3.769   1.863
  177   2HZ   LYS 669          2HZ       LYS 669  18.692  -3.499   0.223
  178   3HZ   LYS 669          3HZ       LYS 669  17.833  -4.874   0.705
  179    H    ALA 670           H        ALA 670  12.507  -2.749   3.194
  180    HA   ALA 670           HA       ALA 670  10.891  -1.543   5.314
  181   1HB   ALA 670          1HB       ALA 670   9.064  -1.367   4.065
  182   2HB   ALA 670          2HB       ALA 670   9.109  -3.106   3.768
  183   3HB   ALA 670          3HB       ALA 670   9.935  -2.001   2.670
  184    H    SER 671           H        SER 671  10.173  -2.982   6.861
  185    HA   SER 671           HA       SER 671  11.055  -5.774   6.525
  186   1HB   SER 671          2HB       SER 671  11.079  -5.558   9.185
  187   2HB   SER 671          1HB       SER 671  12.470  -5.110   8.199
  188    HG   SER 671           HG       SER 671  11.808  -3.511   9.781
  189    H    GLU 672           H        GLU 672   8.358  -3.840   6.837
  190    HA   GLU 672           HA       GLU 672   6.829  -5.977   8.164
  191   1HB   GLU 672          2HB       GLU 672   5.676  -3.258   7.690
  192   2HB   GLU 672          1HB       GLU 672   5.314  -4.415   8.959
  193   1HG   GLU 672          2HG       GLU 672   7.998  -3.113   8.863
  194   2HG   GLU 672          1HG       GLU 672   6.613  -2.240   9.516
  195    H    THR 673           H        THR 673   4.680  -6.423   7.313
  196    HA   THR 673           HA       THR 673   4.396  -5.823   4.451
  197    HB   THR 673           HB       THR 673   4.201  -8.548   5.751
  198    HG1  THR 673           1HG      THR 673   6.082  -8.853   4.897
  199   1HG2  THR 673          1HG2      THR 673   4.055  -8.684   2.915
  200   2HG2  THR 673          2HG2      THR 673   2.762  -7.636   3.499
  201   3HG2  THR 673          3HG2      THR 673   2.910  -9.281   4.115
  202    H    CYS 674           H        CYS 674   2.344  -5.510   3.723
  203    HA   CYS 674           HA       CYS 674   0.323  -4.916   5.626
  204   1HB   CYS 674          2HB       CYS 674   0.451  -3.697   3.527
  205   2HB   CYS 674          1HB       CYS 674   0.203  -5.181   2.614
  206    H    SER 675           H        SER 675  -0.581  -6.512   6.772
  207    HA   SER 675           HA       SER 675  -0.875  -9.174   5.871
  208   1HB   SER 675          2HB       SER 675  -2.083  -9.561   7.934
  209   2HB   SER 675          1HB       SER 675  -0.714  -8.499   8.263
  210    HG   SER 675           HG       SER 675  -2.325  -6.743   7.964
  211    H    GLY 676           H        GLY 676  -2.678  -6.440   5.079
  212   1HA   GLY 676          2HA       GLY 676  -5.264  -7.676   4.914
  213   2HA   GLY 676          1HA       GLY 676  -4.801  -6.129   4.223
  214    H    CYS 677           H        CYS 677  -2.829  -6.742   2.482
  215    HA   CYS 677           HA       CYS 677  -4.193  -8.523   0.583
  216   1HB   CYS 677          2HB       CYS 677  -3.029  -7.240  -1.188
  217   2HB   CYS 677          1HB       CYS 677  -4.091  -6.235  -0.209
  218    H    ASN 678           H        ASN 678  -1.450  -8.243   2.529
  219    HA   ASN 678           HA       ASN 678   0.457  -9.458   2.747
  220   1HB   ASN 678          2HB       ASN 678  -1.430 -11.248   1.383
  221   2HB   ASN 678          1HB       ASN 678   0.262 -11.672   1.136
  222   1HD2  ASN 678          1HD2      ASN 678   1.373 -12.612   2.744
  223   2HD2  ASN 678          2HD2      ASN 678   0.729 -12.954   4.310
  224    H    THR 679           H        THR 679   0.084  -7.510   0.483
  225    HA   THR 679           HA       THR 679   2.281  -8.493  -1.214
  226    HB   THR 679           HB       THR 679  -0.036  -6.716  -1.985
  227    HG1  THR 679           1HG      THR 679   0.689  -9.303  -2.891
  228   1HG2  THR 679          1HG2      THR 679   2.541  -7.025  -3.235
  229   2HG2  THR 679          2HG2      THR 679   1.213  -5.935  -3.634
  230   3HG2  THR 679          3HG2      THR 679   1.239  -7.570  -4.293
  231    H    ALA 680           H        ALA 680   0.846  -5.710   0.379
  232    HA   ALA 680           HA       ALA 680   2.848  -3.857  -0.446
  233   1HB   ALA 680          1HB       ALA 680   1.625  -2.921   1.915
  234   2HB   ALA 680          2HB       ALA 680   0.388  -3.775   0.995
  235   3HB   ALA 680          3HB       ALA 680   1.285  -2.452   0.250
  236    H    ARG 681           H        ARG 681   4.382  -2.797   0.900
  237    HA   ARG 681           HA       ARG 681   5.214  -4.242   3.309
  238   1HB   ARG 681          2HB       ARG 681   6.992  -3.569   0.958
  239   2HB   ARG 681          1HB       ARG 681   7.598  -4.059   2.535
  240   1HG   ARG 681          2HG       ARG 681   5.608  -5.851   1.307
  241   2HG   ARG 681          1HG       ARG 681   7.176  -5.758   0.503
  242   1HD   ARG 681          2HD       ARG 681   7.162  -6.056   3.453
  243   2HD   ARG 681          1HD       ARG 681   6.686  -7.456   2.494
  244    HE   ARG 681           HE       ARG 681   9.138  -6.222   1.630
  245   1HH1  ARG 681          1HH1      ARG 681   7.712  -8.567   3.786
  246   2HH1  ARG 681          2HH1      ARG 681   9.166  -9.494   3.943
  247   1HH2  ARG 681          1HH2      ARG 681  11.051  -7.440   1.834
  248   2HH2  ARG 681          2HH2      ARG 681  11.063  -8.854   2.835
  249    H    TYR 682           H        TYR 682   6.139  -2.953   4.883
  250    HA   TYR 682           HA       TYR 682   6.862  -0.212   4.276
  251   1HB   TYR 682          2HB       TYR 682   4.535  -0.909   6.072
  252   2HB   TYR 682          1HB       TYR 682   5.329   0.661   6.079
  253    HD1  TYR 682           1HD      TYR 682   5.304   2.036   3.953
  254    HD2  TYR 682           2HD      TYR 682   2.876  -1.418   4.482
  255    HE1  TYR 682           1HE      TYR 682   3.850   2.785   2.119
  256    HE2  TYR 682           2HE      TYR 682   1.415  -0.679   2.647
  257    HH   TYR 682           HH       TYR 682   2.267   1.770   0.491
  258    H    CYS 683           H        CYS 683   8.158   0.739   5.877
  259    HA   CYS 683           HA       CYS 683   9.312  -1.190   7.724
  260   1HB   CYS 683          2HB       CYS 683  11.185   0.303   7.916
  261   2HB   CYS 683          1HB       CYS 683  10.781   0.144   6.211
  262    H    GLY 684           H        GLY 684   7.162   1.504   7.781
  263   1HA   GLY 684          2HA       GLY 684   7.042   1.272  10.687
  264   2HA   GLY 684          1HA       GLY 684   7.448   2.857  10.049
  265    H    SER 685           H        SER 685   5.145   2.035  11.631
  266    HA   SER 685           HA       SER 685   2.789   1.659  10.291
  267   1HB   SER 685          2HB       SER 685   1.724   2.999  12.151
  268   2HB   SER 685          1HB       SER 685   2.787   1.697  12.681
  269    HG   SER 685           HG       SER 685   4.333   3.168  13.211
  270    H    PHE 686           H        PHE 686   4.621   4.659  10.578
  271    HA   PHE 686           HA       PHE 686   2.603   6.338   9.505
  272   1HB   PHE 686          2HB       PHE 686   4.391   7.990   9.205
  273   2HB   PHE 686          1HB       PHE 686   4.473   7.249  10.797
  274    HD1  PHE 686           1HD      PHE 686   6.228   5.553  11.271
  275    HD2  PHE 686           2HD      PHE 686   6.172   7.815   7.667
  276    HE1  PHE 686           1HE      PHE 686   8.589   4.984  10.881
  277    HE2  PHE 686           2HE      PHE 686   8.533   7.249   7.270
  278    HZ   PHE 686           HZ       PHE 686   9.744   5.831   8.878
  279    H    CYS 687           H        CYS 687   5.147   4.384   8.089
  280    HA   CYS 687           HA       CYS 687   5.046   5.452   5.483
  281   1HB   CYS 687          2HB       CYS 687   5.731   2.599   6.180
  282   2HB   CYS 687          1HB       CYS 687   6.302   3.540   4.806
  283    H    GLN 688           H        GLN 688   3.353   2.705   6.962
  284    HA   GLN 688           HA       GLN 688   2.029   1.862   4.632
  285   1HB   GLN 688          2HB       GLN 688   0.708   0.491   6.002
  286   2HB   GLN 688          1HB       GLN 688   2.272   0.583   6.788
  287   1HG   GLN 688          2HG       GLN 688   1.472   1.864   8.531
  288   2HG   GLN 688          1HG       GLN 688   0.071   2.422   7.619
  289   1HE2  GLN 688          1HE2      GLN 688  -0.947   0.105   6.654
  290   2HE2  GLN 688          2HE2      GLN 688  -1.471  -0.899   7.944
  291    H    HIS 689           H        HIS 689   1.109   4.179   7.135
  292    HA   HIS 689           HA       HIS 689  -1.473   4.713   6.073
  293   1HB   HIS 689          2HB       HIS 689   0.285   5.958   8.136
  294   2HB   HIS 689          1HB       HIS 689  -1.067   6.900   7.515
  295    HD1  HIS 689           1HD      HIS 689  -1.574   6.482  10.265
  296    HD2  HIS 689           2HD      HIS 689  -2.293   3.391   7.583
  297    HE1  HIS 689           1HE      HIS 689  -3.166   4.930  11.441
  298    HE2  HIS 689           2HE      HIS 689  -3.515   3.020   9.834
  299    H    LYS 690           H        LYS 690   1.702   6.166   5.635
  300    HA   LYS 690           HA       LYS 690   0.975   8.512   4.323
  301   1HB   LYS 690          2HB       LYS 690   3.303   7.589   5.115
  302   2HB   LYS 690          1HB       LYS 690   3.406   6.991   3.467
  303   1HG   LYS 690          2HG       LYS 690   3.137   9.849   4.363
  304   2HG   LYS 690          1HG       LYS 690   4.519   9.093   3.570
  305   1HD   LYS 690          2HD       LYS 690   1.789   9.521   2.357
  306   2HD   LYS 690          1HD       LYS 690   3.240  10.457   2.002
  307   1HE   LYS 690          2HE       LYS 690   3.733   7.633   1.669
  308   2HE   LYS 690          1HE       LYS 690   2.352   8.147   0.703
  309   1HZ   LYS 690          1HZ       LYS 690   4.862   8.359  -0.118
  310   2HZ   LYS 690          2HZ       LYS 690   4.688   9.874   0.613
  311   3HZ   LYS 690          3HZ       LYS 690   3.635   9.409  -0.626
  312    H    ASP 691           H        ASP 691   1.844   5.368   2.894
  313    HA   ASP 691           HA       ASP 691   0.998   6.257   0.269
  314   1HB   ASP 691          2HB       ASP 691   2.365   3.857   1.374
  315   2HB   ASP 691          1HB       ASP 691   1.463   3.652  -0.125
  316    H    TRP 692           H        TRP 692  -0.536   5.017   2.970
  317    HA   TRP 692           HA       TRP 692  -2.296   3.115   2.163
  318   1HB   TRP 692          2HB       TRP 692  -2.200   3.980   4.446
  319   2HB   TRP 692          1HB       TRP 692  -2.918   5.496   3.917
  320    HD1  TRP 692           HD       TRP 692  -5.195   5.450   5.134
  321    HE1  TRP 692           1HE      TRP 692  -7.217   3.854   5.147
  322    HE3  TRP 692           3HE      TRP 692  -3.195   1.560   2.474
  323    HZ2  TRP 692           2HZ      TRP 692  -7.879   1.304   4.159
  324    HZ3  TRP 692           3HZ      TRP 692  -4.593  -0.417   2.053
  325    HH2  TRP 692           HH       TRP 692  -6.887  -0.542   2.880
  326    H    GLU 693           H        GLU 693  -2.645   6.617   1.605
  327    HA   GLU 693           HA       GLU 693  -5.178   6.649   0.524
  328   1HB   GLU 693          2HB       GLU 693  -4.740   8.803   0.133
  329   2HB   GLU 693          1HB       GLU 693  -3.174   8.493   0.867
  330   1HG   GLU 693          2HG       GLU 693  -2.260   8.027  -1.383
  331   2HG   GLU 693          1HG       GLU 693  -3.824   8.459  -2.072
  332    H    LYS 694           H        LYS 694  -2.119   5.906  -1.096
  333    HA   LYS 694           HA       LYS 694  -3.463   5.492  -3.627
  334   1HB   LYS 694          2HB       LYS 694  -0.588   5.274  -2.755
  335   2HB   LYS 694          1HB       LYS 694  -1.125   4.819  -4.366
  336   1HG   LYS 694          2HG       LYS 694  -1.695   7.017  -4.923
  337   2HG   LYS 694          1HG       LYS 694  -1.682   7.539  -3.237
  338   1HD   LYS 694          2HD       LYS 694   0.815   6.486  -4.505
  339   2HD   LYS 694          1HD       LYS 694   0.312   8.153  -4.791
  340   1HE   LYS 694          2HE       LYS 694   0.581   6.983  -2.034
  341   2HE   LYS 694          1HE       LYS 694   1.921   7.766  -2.868
  342   1HZ   LYS 694          1HZ       LYS 694   0.146   9.655  -3.147
  343   2HZ   LYS 694          2HZ       LYS 694   1.064   9.523  -1.733
  344   3HZ   LYS 694          3HZ       LYS 694  -0.524   8.940  -1.768
  345    H    HIS 695           H        HIS 695  -1.663   3.538  -1.267
  346    HA   HIS 695           HA       HIS 695  -1.835   1.098  -2.589
  347   1HB   HIS 695          2HB       HIS 695  -0.350   1.495  -0.685
  348   2HB   HIS 695          1HB       HIS 695  -1.742   1.600   0.389
  349    HD1  HIS 695           1HD      HIS 695  -0.605  -1.014  -2.167
  350    HD2  HIS 695           2HD      HIS 695  -1.971  -0.686   1.742
  351    HE1  HIS 695           1HE      HIS 695  -0.733  -3.371  -1.263
  352    H    HIS 696           H        HIS 696  -4.136   2.551  -0.294
  353    HA   HIS 696           HA       HIS 696  -5.736   0.344   0.105
  354   1HB   HIS 696          2HB       HIS 696  -7.443   1.782   0.899
  355   2HB   HIS 696          1HB       HIS 696  -5.904   2.489   1.356
  356    HD1  HIS 696           1HD      HIS 696  -8.205   2.900  -1.672
  357    HD2  HIS 696           2HD      HIS 696  -6.055   5.128   1.091
  358    HE1  HIS 696           1HE      HIS 696  -8.648   5.309  -2.250
  359    HE2  HIS 696           2HE      HIS 696  -7.415   6.633  -0.508
  360    H    HIS 697           H        HIS 697  -5.593   2.365  -2.767
  361    HA   HIS 697           HA       HIS 697  -8.110   1.655  -3.842
  362   1HB   HIS 697          2HB       HIS 697  -5.579   2.157  -5.420
  363   2HB   HIS 697          1HB       HIS 697  -7.234   2.339  -5.981
  364    HD1  HIS 697           1HD      HIS 697  -8.567   4.253  -4.305
  365    HD2  HIS 697           2HD      HIS 697  -4.477   4.545  -4.967
  366    HE1  HIS 697           1HE      HIS 697  -7.978   6.654  -3.836
  367    HE2  HIS 697           2HE      HIS 697  -5.516   6.826  -4.336
  368    H    ILE 698           H        ILE 698  -5.004   0.048  -3.677
  369    HA   ILE 698           HA       ILE 698  -5.849  -2.069  -5.484
  370    HB   ILE 698           HB       ILE 698  -3.284  -2.155  -3.947
  371   1HG1  ILE 698          2HG1      ILE 698  -3.535  -0.645  -6.547
  372   2HG1  ILE 698          1HG1      ILE 698  -3.637   0.167  -4.988
  373   1HG2  ILE 698          1HG2      ILE 698  -4.315  -3.901  -5.641
  374   2HG2  ILE 698          2HG2      ILE 698  -2.580  -3.591  -5.567
  375   3HG2  ILE 698          3HG2      ILE 698  -3.557  -2.833  -6.824
  376   1HD1  ILE 698          1HD1      ILE 698  -1.401  -0.574  -4.425
  377   2HD1  ILE 698          2HD1      ILE 698  -1.399   0.296  -5.960
  378   3HD1  ILE 698          3HD1      ILE 698  -1.298  -1.464  -5.944
  379    H    CYS 699           H        CYS 699  -4.609  -1.859  -2.149
  380    HA   CYS 699           HA       CYS 699  -4.694  -4.361  -1.236
  381   1HB   CYS 699          2HB       CYS 699  -4.342  -2.140   0.036
  382   2HB   CYS 699          1HB       CYS 699  -6.064  -2.237   0.387
  383    H    GLY 700           H        GLY 700  -6.175  -5.729  -0.144
  384   1HA   GLY 700          2HA       GLY 700  -8.173  -6.806   0.184
  385   2HA   GLY 700          1HA       GLY 700  -8.979  -5.279  -0.138
  386    H    GLN 701           H        GLN 701  -6.905  -6.149  -2.661
  387    HA   GLN 701           HA       GLN 701  -7.291  -6.751  -4.821
  388   1HB   GLN 701          2HB       GLN 701  -9.249  -8.700  -3.596
  389   2HB   GLN 701          1HB       GLN 701  -8.477  -8.836  -5.170
  390   1HG   GLN 701          2HG       GLN 701  -6.815  -8.692  -2.694
  391   2HG   GLN 701          1HG       GLN 701  -7.578 -10.209  -3.169
  392   1HE2  GLN 701          1HE2      GLN 701  -4.780  -9.690  -2.999
  393   2HE2  GLN 701          2HE2      GLN 701  -4.121  -9.893  -4.582
  394    H    THR 702           H        THR 702  -8.277  -4.697  -5.283
  395    HA   THR 702           HA       THR 702  -9.889  -3.372  -6.191
  396    HB   THR 702           HB       THR 702 -11.790  -5.594  -6.643
  397    HG1  THR 702           1HG      THR 702 -10.186  -6.880  -7.137
  398   1HG2  THR 702          1HG2      THR 702 -11.363  -3.143  -7.797
  399   2HG2  THR 702          2HG2      THR 702 -12.333  -4.454  -8.467
  400   3HG2  THR 702          3HG2      THR 702 -10.648  -4.264  -8.954
  401    H    LEU 703           H        LEU 703 -12.597  -3.327  -6.165
  402    HA   LEU 703           HA       LEU 703 -13.167  -2.620  -3.466
  403   1HB   LEU 703          2HB       LEU 703 -14.128  -1.773  -5.807
  404   2HB   LEU 703          1HB       LEU 703 -15.367  -2.957  -5.437
  405    HG   LEU 703           HG       LEU 703 -14.592  -0.678  -3.615
  406   1HD1  LEU 703          1HD1      LEU 703 -15.652   0.518  -5.217
  407   2HD1  LEU 703          2HD1      LEU 703 -17.082  -0.089  -4.382
  408   3HD1  LEU 703          3HD1      LEU 703 -16.514  -0.883  -5.851
  409   1HD2  LEU 703          1HD2      LEU 703 -17.043  -1.416  -2.840
  410   2HD2  LEU 703          2HD2      LEU 703 -15.572  -2.100  -2.152
  411   3HD2  LEU 703          3HD2      LEU 703 -16.445  -2.973  -3.412
  412    H    GLN 704           H        GLN 704 -13.014  -4.446  -2.181
  413    HA   GLN 704           HA       GLN 704 -14.531  -6.820  -2.799
  414   1HB   GLN 704          2HB       GLN 704 -12.273  -6.691  -1.564
  415   2HB   GLN 704          1HB       GLN 704 -13.220  -6.228  -0.158
  416   1HG   GLN 704          2HG       GLN 704 -13.908  -8.314   0.209
  417   2HG   GLN 704          1HG       GLN 704 -14.240  -8.603  -1.497
  418   1HE2  GLN 704          1HE2      GLN 704 -11.311  -7.883   0.376
  419   2HE2  GLN 704          2HE2      GLN 704 -10.398  -9.226  -0.213
  420    H    ALA 705           H        ALA 705 -16.086  -7.748  -1.267
  421    HA   ALA 705           HA       ALA 705 -18.038  -5.767  -0.496
  422   1HB   ALA 705          1HB       ALA 705 -18.282  -8.256  -1.492
  423   2HB   ALA 705          2HB       ALA 705 -19.555  -7.434  -0.589
  424   3HB   ALA 705          3HB       ALA 705 -18.498  -8.587   0.228
  425    H    GLN 706           H        GLN 706 -19.274  -6.587   1.683
  426    HA   GLN 706           HA       GLN 706 -17.339  -7.066   3.809
  427   1HB   GLN 706          2HB       GLN 706 -17.469  -4.583   3.444
  428   2HB   GLN 706          1HB       GLN 706 -19.169  -4.663   3.886
  429   1HG   GLN 706          2HG       GLN 706 -18.612  -4.453   6.011
  430   2HG   GLN 706          1HG       GLN 706 -17.731  -5.978   5.922
  431   1HE2  GLN 706          1HE2      GLN 706 -15.657  -5.310   4.266
  432   2HE2  GLN 706          2HE2      GLN 706 -14.653  -4.134   5.035
  433    H    GLN 707           H        GLN 707 -18.388  -9.005   4.220
  434    HA   GLN 707           HA       GLN 707 -19.895 -10.399   5.194
  435   1HB   GLN 707          2HB       GLN 707 -19.818  -8.159   6.781
  436   2HB   GLN 707          1HB       GLN 707 -21.536  -8.313   6.444
  437   1HG   GLN 707          2HG       GLN 707 -21.690 -10.371   7.493
  438   2HG   GLN 707          1HG       GLN 707 -19.959 -10.676   7.368
  439   1HE2  GLN 707          1HE2      GLN 707 -22.085  -8.178   8.734
  440   2HE2  GLN 707          2HE2      GLN 707 -21.277  -8.083  10.257