*HEADER   ACTIN-BINDING PROTEIN                   16-JAN-97   2VIK    
*TITLE    REFINED STRUCTURE OF THE ACTIN-SEVERING DOMAIN VILLIN 14T,  
*TITLE   2 DETERMINED BY SOLUTION NMR, MINIMIZED AVERAGE STRUCTURE    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: VILLIN 14T;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RESIDUES 1 - 126;                                
*COMPND  5 SYNONYM: VILLIN DOMAIN 1, VILLIN SEGMENT 1;                
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                        
*SOURCE  3 ORGANISM_COMMON: CHICKEN;                                  
*SOURCE  4 ORGAN: INTESTINE;                                          
*SOURCE  5 CELL: EPITHELIAL CELLS;                                    
*SOURCE  6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  8 EXPRESSION_SYSTEM_PLASMID: PAED4, BASED ON T7 PROMOTER     
*KEYWDS   ACTIN-BINDING PROTEIN, CAPPING PROTEIN,                     
*KEYWDS  2 CALCIUM-BINDING PROTEIN, CYTOSKELETAL PROTEIN              
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.A.MARKUS,P.MATSUDAIRA,G.WAGNER                            
*REVDAT  1   01-APR-97 2VIK    0                                      

START_OF_NOE_DATA
! VALN_1  
assign (resid   1 and name    HA) (resid   2 and name   HG#)  3.50 1.70 2.30
assign (resid   1 and name  HG1#) (resid   2 and name   HB#)  3.50 1.70 3.30
assign (resid   1 and name  HG1#) (resid  80 and name   HE#)  3.50 1.70 3.90
assign (resid   1 and name  HG2#) (resid   2 and name   HG#)  3.50 1.70 3.30
assign (resid   1 and name  HG2#) (resid  80 and name   HE#)  3.50 1.70 3.90
! VALN_1b  
assign (resid   1 and name   HT#) (resid  30 and name   HD#)  2.50 0.70 4.10
! GLU_2  
assign (resid   2 and name    HN) (resid   2 and name    HA)  2.50 0.70 0.50
! GLU_2b  
assign (resid   2 and name    HN) (resid   1 and name    HA)  2.50 0.70 0.50
assign (resid   2 and name    HN) (resid   1 and name  HG1#)  4.50 2.70 1.50
assign (resid   2 and name    HN) (resid   1 and name  HG2#)  4.50 2.70 1.50
! LEU_3  
assign (resid   3 and name    HN) (resid   2 and name    HA)  3.50 1.70 0.50
assign (resid   3 and name    HN) (resid   2 and name   HB#)  4.50 2.70 2.30
assign (resid   3 and name    HN) (resid   2 and name   HG#)  4.50 2.70 2.30
assign (resid   3 and name    HN) (resid  80 and name   HD#)  4.50 2.70 2.90
assign (resid   3 and name    HA) (resid  21 and name   HD1)  4.50 2.70 0.50
assign (resid   3 and name    HA) (resid  80 and name   HD#)  3.50 1.70 2.90
assign (resid   3 and name    HA) (resid  80 and name   HE#)  3.50 1.70 2.90
assign (resid   3 and name  HD1#) (resid   4 and name   HB#)  4.50 2.70 5.10
assign (resid   3 and name  HD1#) (resid   7 and name  HG1#)  2.50 0.70 4.30
assign (resid   3 and name  HD1#) (resid  80 and name   HB2)  2.50 0.70 3.30
assign (resid   3 and name  HD1#) (resid  80 and name   HB1)  2.50 0.70 3.30
assign (resid   3 and name  HD1#) (resid  81 and name    HA)  3.50 1.70 3.30
assign (resid   3 and name  HD1#) (resid  84 and name   HB#)  3.50 1.70 5.10
assign (resid   3 and name  HD1#) (resid  84 and name   HG#)  3.50 1.70 5.10
assign (resid   3 and name  HD1#) (resid  84 and name   HE#)  2.50 0.70 4.30
assign (resid   3 and name  HD2#) (resid   4 and name   HB#)  4.50 2.70 5.10
assign (resid   3 and name  HD2#) (resid   7 and name  HG1#)  2.50 0.70 4.30
assign (resid   3 and name  HD2#) (resid  80 and name   HB2)  2.50 0.70 3.30
assign (resid   3 and name  HD2#) (resid  80 and name   HB1)  2.50 0.70 3.30
assign (resid   3 and name  HD2#) (resid  81 and name    HA)  3.50 1.70 3.30
assign (resid   3 and name  HD2#) (resid  84 and name   HB#)  3.50 1.70 5.10
assign (resid   3 and name  HD2#) (resid  84 and name   HG#)  3.50 1.70 5.10
assign (resid   3 and name  HD2#) (resid  84 and name   HE#)  2.50 0.70 4.30
! SER_4  
assign (resid   4 and name    HN) (resid   3 and name   HB2)  3.50 1.70 2.30
assign (resid   4 and name    HN) (resid   3 and name   HB1)  3.50 1.70 2.30
assign (resid   4 and name    HN) (resid   3 and name  HD1#)  2.50 0.70 3.30
assign (resid   4 and name    HN) (resid   3 and name  HD2#)  2.50 0.70 3.30
assign (resid   4 and name    HN) (resid   4 and name   HB#)  2.50 0.70 2.30
assign (resid   4 and name    HN) (resid   7 and name    HB)  4.50 2.70 0.50
assign (resid   4 and name    HN) (resid   7 and name  HG2#)  4.50 2.70 1.50
assign (resid   4 and name    HA) (resid   7 and name  HG1#)  4.50 2.70 1.50
assign (resid   4 and name    HA) (resid   7 and name  HG2#)  4.50 2.70 1.50
assign (resid   4 and name    HA) (resid   8 and name  HG2#)  3.50 1.70 1.50
assign (resid   4 and name   HB#) (resid  87 and name   HB#)  4.50 2.70 4.10
! LYS+_5  
assign (resid   5 and name    HN) (resid   4 and name   HB#)  2.50 0.70 2.30
assign (resid   5 and name    HN) (resid   5 and name    HA)  2.50 0.70 0.50
assign (resid   5 and name    HN) (resid   6 and name    HN)  3.50 1.70 0.50
assign (resid   5 and name   HG#) (resid   6 and name    HA)  2.50 0.70 2.30
! LYS+_6  
assign (resid   6 and name    HN) (resid   5 and name    HA)  3.50 1.70 0.50
assign (resid   6 and name    HN) (resid   7 and name    HN)  2.50 0.70 0.50
! VAL_7  
assign (resid   7 and name    HN) (resid   6 and name    HA)  4.50 2.70 0.50
assign (resid   7 and name    HN) (resid   8 and name    HN)  3.50 1.70 0.50
assign (resid   7 and name  HG1#) (resid   8 and name    HA)  3.50 1.70 1.50
assign (resid   7 and name  HG1#) (resid  21 and name   HZ2)  4.50 2.70 1.50
assign (resid   7 and name  HG1#) (resid  21 and name   HZ3)  4.50 2.70 3.90
assign (resid   7 and name  HG1#) (resid  21 and name   HH2)  4.50 2.70 3.90
assign (resid   7 and name  HG1#) (resid  84 and name   HE#)  2.50 0.70 2.50
assign (resid   7 and name  HG2#) (resid  21 and name   HD1)  3.50 1.70 1.50
! THR_8  
assign (resid   8 and name    HN) (resid   4 and name    HA)  4.50 2.70 0.50
assign (resid   8 and name    HN) (resid   7 and name    HB)  3.50 1.70 0.50
assign (resid   8 and name    HN) (resid   9 and name   HA#)  4.50 2.70 2.30
assign (resid   8 and name    HA) (resid  11 and name    HA)  4.50 2.70 0.50
assign (resid   8 and name    HA) (resid  11 and name   HB#)  4.50 2.70 2.30
assign (resid   8 and name    HA) (resid  11 and name    HG)  3.50 1.70 0.50
assign (resid   8 and name    HA) (resid  87 and name   HD#)  3.50 1.70 2.90
assign (resid   8 and name    HB) (resid  11 and name  HD1#)  3.50 1.70 3.30
assign (resid   8 and name    HB) (resid  11 and name  HD2#)  3.50 1.70 3.30
assign (resid   8 and name  HG2#) (resid  87 and name   HD#)  3.50 1.70 3.90
assign (resid   8 and name  HG2#) (resid  87 and name   HE#)  2.50 0.70 3.90
! GLY_9  
assign (resid   9 and name    HN) (resid   5 and name    HA)  3.50 1.70 0.50
assign (resid   9 and name    HN) (resid   5 and name   HB#)  4.50 2.70 2.30
assign (resid   9 and name    HN) (resid  10 and name    HN)  3.50 1.70 0.50
! LYS+_10  
assign (resid  10 and name    HN) (resid   9 and name   HA#)  3.50 1.70 2.30
! LEU_11  
assign (resid  11 and name    HN) (resid   8 and name    HA)  4.50 2.70 0.50
assign (resid  11 and name    HN) (resid  10 and name    HN)  2.50 0.70 0.50
assign (resid  11 and name    HN) (resid  10 and name    HA)  4.50 2.70 0.50
assign (resid  11 and name    HN) (resid  10 and name   HB#)  3.50 1.70 2.30
assign (resid  11 and name    HN) (resid  11 and name   HB#)  2.50 0.70 2.30
assign (resid  11 and name    HA) (resid  21 and name   HZ2)  3.50 1.70 0.50
assign (resid  11 and name    HA) (resid  88 and name  HD1#)  5.50 3.70 1.50
assign (resid  11 and name    HA) (resid  88 and name  HD2#)  4.50 2.70 1.50
assign (resid  11 and name   HB#) (resid  88 and name  HD2#)  2.50 0.70 3.30
assign (resid  11 and name  HD1#) (resid   8 and name    HA)  2.50 0.70 3.30
assign (resid  11 and name  HD1#) (resid  10 and name    HA)  3.50 1.70 3.30
assign (resid  11 and name  HD1#) (resid  21 and name   HH2)  2.50 0.70 5.70
assign (resid  11 and name  HD1#) (resid  21 and name   HZ2)  2.50 0.70 3.30
assign (resid  11 and name  HD1#) (resid  21 and name   HZ3)  2.50 0.70 5.70
assign (resid  11 and name  HD1#) (resid  48 and name  HD2#)  2.50 0.70 4.30
assign (resid  11 and name  HD1#) (resid  84 and name   HB#)  2.50 0.70 5.10
assign (resid  11 and name  HD1#) (resid  84 and name   HG#)  3.50 1.70 5.10
assign (resid  11 and name  HD1#) (resid  84 and name   HE#)  2.50 0.70 4.30
assign (resid  11 and name  HD1#) (resid  87 and name   HB#)  4.50 2.70 5.10
assign (resid  11 and name  HD1#) (resid  88 and name    HN)  4.50 2.70 3.30
assign (resid  11 and name  HD1#) (resid  88 and name    HA)  4.50 2.70 3.30
assign (resid  11 and name  HD1#) (resid  88 and name  HD1#)  2.50 0.70 4.30
assign (resid  11 and name  HD2#) (resid  21 and name   HH2)  2.50 0.70 5.70
assign (resid  11 and name  HD2#) (resid  21 and name   HZ2)  2.50 0.70 3.30
assign (resid  11 and name  HD2#) (resid  21 and name   HZ3)  2.50 0.70 5.70
assign (resid  11 and name  HD2#) (resid  84 and name   HB#)  2.50 0.70 5.10
assign (resid  11 and name  HD2#) (resid  84 and name   HG#)  3.50 1.70 5.10
assign (resid  11 and name  HD2#) (resid  84 and name   HE#)  2.50 0.70 4.30
assign (resid  11 and name  HD2#) (resid  87 and name   HB#)  4.50 2.70 5.10
assign (resid  11 and name  HD2#) (resid  88 and name    HA)  4.50 2.70 3.30
assign (resid  11 and name  HD2#) (resid  88 and name    HN)  4.50 2.70 3.30
! ASP-_12  
! LYS+_13  
assign (resid  13 and name    HA) (resid  14 and name  HG2#)  3.50 1.70 1.50
assign (resid  13 and name    HA) (resid  50 and name  HG2#)  3.50 1.70 1.50
assign (resid  13 and name   HE#) (resid  11 and name  HD1#)  3.50 1.70 5.10
assign (resid  13 and name   HE#) (resid  11 and name  HD2#)  3.50 1.70 5.10
assign (resid  13 and name   HE#) (resid  88 and name  HD2#)  2.50 0.70 3.30
! THR_14  
assign (resid  14 and name    HN) (resid  13 and name    HA)  4.50 2.70 0.50
assign (resid  14 and name  HG2#) (resid  57 and name   HD#)  2.50 0.70 3.90
assign (resid  14 and name  HG2#) (resid  57 and name   HE#)  2.50 0.70 3.90
assign (resid  14 and name  HG2#) (resid  57 and name    HZ)  2.50 0.70 1.50
! THR_15  
assign (resid  15 and name    HN) (resid  14 and name    HN)  2.50 0.70 0.50
assign (resid  15 and name    HN) (resid  14 and name    HA)  2.50 0.70 0.50
assign (resid  15 and name    HN) (resid  50 and name  HG2#)  3.50 1.70 1.50
assign (resid  15 and name    HA) (resid  16 and name   HB#)  4.50 2.70 2.30
assign (resid  15 and name    HA) (resid  16 and name   HG#)  4.50 2.70 2.30
assign (resid  15 and name    HA) (resid  16 and name   HD#)  2.50 0.70 2.30
assign (resid  15 and name    HA) (resid  57 and name   HE#)  3.50 1.70 2.90
assign (resid  15 and name    HA) (resid  57 and name    HZ)  4.50 2.70 0.50
assign (resid  15 and name  HG2#) (resid  16 and name   HB#)  4.50 2.70 3.30
assign (resid  15 and name  HG2#) (resid  57 and name   HE#)  4.50 2.70 3.90
! PRO_16  
assign (resid  16 and name    HA) (resid  50 and name  HG2#)  2.50 0.70 1.50
assign (resid  16 and name    HA) (resid  51 and name    HA)  3.50 1.70 0.50
assign (resid  16 and name    HA) (resid  57 and name   HD#)  3.50 1.70 2.90
assign (resid  16 and name    HA) (resid  57 and name   HE#)  3.50 1.70 2.90
assign (resid  16 and name   HB#) (resid  52 and name   HB1)  3.50 1.70 2.30
assign (resid  16 and name   HB#) (resid  57 and name   HE#)  3.50 1.70 4.70
assign (resid  16 and name   HD#) (resid  15 and name  HG2#)  2.50 0.70 3.30
assign (resid  16 and name   HD#) (resid  57 and name   HE#)  3.50 1.70 2.90
assign (resid  16 and name   HD#) (resid  57 and name    HZ)  3.50 1.70 2.30
! GLY_17  
assign (resid  17 and name    HN) (resid  16 and name    HA)  2.50 0.70 0.50
assign (resid  17 and name    HN) (resid  16 and name   HB#)  3.50 1.70 2.30
assign (resid  17 and name    HN) (resid  18 and name    HN)  4.50 2.70 0.50
assign (resid  17 and name    HN) (resid  50 and name    HN)  2.50 0.70 0.50
assign (resid  17 and name    HN) (resid  50 and name  HG2#)  4.50 2.70 1.50
! ILE_18  
assign (resid  18 and name    HN) (resid  17 and name   HA#)  3.50 1.70 0.50
assign (resid  18 and name    HA) (resid  19 and name    HA)  4.50 2.70 0.50
assign (resid  18 and name    HA) (resid  49 and name    HA)  4.50 2.70 0.50
assign (resid  18 and name    HB) (resid  48 and name    HN)  3.50 1.70 0.50
assign (resid  18 and name  HG1#) (resid  20 and name  HD1#)  3.50 1.70 3.30
assign (resid  18 and name  HG1#) (resid  48 and name    HN)  3.50 1.70 2.30
assign (resid  18 and name  HD1#) (resid  19 and name    HA)  4.50 2.70 1.50
assign (resid  18 and name  HD1#) (resid  20 and name  HD1#)  3.50 1.70 2.50
assign (resid  18 and name  HD1#) (resid  36 and name   HB2)  4.50 2.70 1.50
assign (resid  18 and name  HD1#) (resid  36 and name   HB1)  4.50 2.70 1.50
assign (resid  18 and name  HD1#) (resid  47 and name    HA)  4.50 2.70 1.50
assign (resid  18 and name  HD1#) (resid  47 and name  HD1#)  2.50 0.70 2.50
assign (resid  18 and name  HD1#) (resid  47 and name  HD2#)  2.50 0.70 2.50
assign (resid  18 and name  HD1#) (resid  49 and name   HB2)  4.50 2.70 1.50
assign (resid  18 and name  HD1#) (resid  49 and name   HB1)  5.50 3.70 1.50
assign (resid  18 and name  HD1#) (resid 109 and name    HA)  3.50 1.70 1.50
assign (resid  18 and name  HD1#) (resid 109 and name   HB2)  3.50 1.70 1.50
assign (resid  18 and name  HD1#) (resid 109 and name   HB1)  2.50 0.70 1.50
assign (resid  18 and name  HD1#) (resid 109 and name   HD#)  2.50 0.70 3.90
assign (resid  18 and name  HD1#) (resid 109 and name   HE#)  3.50 1.70 3.90
assign (resid  18 and name  HD1#) (resid 110 and name    HA)  4.50 2.70 1.50
assign (resid  18 and name  HD1#) (resid 110 and name   HE#)  2.50 0.70 3.90
assign (resid  18 and name  HG2#) (resid  18 and name    HA)  2.50 0.70 1.50
assign (resid  18 and name  HG2#) (resid  19 and name    HA)  5.50 3.70 1.50
assign (resid  18 and name  HG2#) (resid  47 and name  HD1#)  2.50 0.70 2.50
assign (resid  18 and name  HG2#) (resid  47 and name  HD2#)  2.50 0.70 2.50
assign (resid  18 and name  HG2#) (resid  49 and name    HN)  4.50 2.70 1.50
assign (resid  18 and name  HG2#) (resid  49 and name   HB2)  2.50 0.70 1.50
assign (resid  18 and name  HG2#) (resid  49 and name   HB1)  3.50 1.70 1.50
assign (resid  18 and name  HG2#) (resid 109 and name    HA)  3.50 1.70 1.50
assign (resid  18 and name  HG2#) (resid 109 and name   HB2)  3.50 1.70 1.50
assign (resid  18 and name  HG2#) (resid 109 and name   HB1)  2.50 0.70 1.50
! GLN_19  
assign (resid  19 and name    HN) (resid  18 and name    HA)  2.50 0.70 0.50
assign (resid  19 and name    HN) (resid  18 and name  HG2#)  3.50 1.70 1.50
assign (resid  19 and name    HN) (resid  21 and name   HH2)  4.50 2.70 2.90
assign (resid  19 and name    HN) (resid  21 and name   HZ3)  4.50 2.70 2.90
assign (resid  19 and name    HN) (resid  47 and name    HA)  4.50 2.70 0.50
assign (resid  19 and name    HN) (resid  47 and name  HD1#)  4.50 2.70 1.50
assign (resid  19 and name    HN) (resid  47 and name  HD2#)  4.50 2.70 1.50
assign (resid  19 and name    HN) (resid  48 and name    HN)  4.50 2.70 0.50
assign (resid  19 and name    HN) (resid  49 and name    HA)  3.50 1.70 0.50
assign (resid  19 and name    HN) (resid  50 and name    HN)  4.50 2.70 0.50
assign (resid  19 and name    HA) (resid  20 and name  HG1#)  4.50 2.70 2.30
assign (resid  19 and name    HA) (resid  48 and name    HN)  4.50 2.70 0.50
assign (resid  19 and name   HB#) (resid  21 and name   HE3)  3.50 1.70 2.30
assign (resid  19 and name   HG#) (resid  31 and name    HN)  4.50 2.70 2.30
assign (resid  19 and name  HE21) (resid  11 and name  HD1#)  4.50 2.70 3.30
assign (resid  19 and name  HE21) (resid  11 and name  HD2#)  4.50 2.70 3.30
assign (resid  19 and name  HE21) (resid  48 and name  HD1#)  3.50 1.70 3.30
assign (resid  19 and name  HE21) (resid  48 and name  HD2#)  3.50 1.70 3.30
assign (resid  19 and name  HE22) (resid  11 and name  HD1#)  4.50 2.70 3.30
assign (resid  19 and name  HE22) (resid  11 and name  HD2#)  4.50 2.70 3.30
assign (resid  19 and name  HE22) (resid  48 and name  HD1#)  4.50 2.70 3.30
assign (resid  19 and name  HE22) (resid  48 and name  HD2#)  4.50 2.70 3.30
! ILE_20  
assign (resid  20 and name    HN) (resid  19 and name    HA)  3.50 1.70 0.50
assign (resid  20 and name    HN) (resid  19 and name   HB#)  3.50 1.70 2.30
assign (resid  20 and name    HN) (resid  21 and name    HA)  5.50 3.70 0.50
assign (resid  20 and name    HN) (resid  31 and name  HG1#)  2.50 0.70 3.30
assign (resid  20 and name    HN) (resid  31 and name  HG2#)  2.50 0.70 3.30
assign (resid  20 and name    HN) (resid  48 and name    HN)  4.50 2.70 0.50
assign (resid  20 and name    HA) (resid  21 and name   HH2)  3.50 1.70 2.90
assign (resid  20 and name    HA) (resid  21 and name   HZ3)  3.50 1.70 2.90
assign (resid  20 and name    HA) (resid  47 and name    HA)  3.50 1.70 0.50
assign (resid  20 and name    HA) (resid  47 and name   HB2)  4.50 2.70 0.50
assign (resid  20 and name    HB) (resid  31 and name    HN)  4.50 2.70 0.50
assign (resid  20 and name    HB) (resid  31 and name    HB)  2.50 0.70 0.50
assign (resid  20 and name    HB) (resid  45 and name   HD#)  3.50 1.70 2.90
assign (resid  20 and name    HB) (resid  45 and name   HE#)  3.50 1.70 2.90
assign (resid  20 and name    HB) (resid  47 and name    HA)  4.50 2.70 0.50
assign (resid  20 and name    HB) (resid 106 and name    HZ)  4.50 2.70 0.50
assign (resid  20 and name  HG1#) (resid  31 and name  HG1#)  3.50 1.70 5.10
assign (resid  20 and name  HG1#) (resid  31 and name  HG2#)  4.50 2.70 5.10
assign (resid  20 and name  HG1#) (resid 110 and name    HZ)  3.50 1.70 2.30
assign (resid  20 and name  HG2#) (resid  31 and name    HN)  4.50 2.70 1.50
assign (resid  20 and name  HG2#) (resid  31 and name  HG2#)  3.50 1.70 2.50
assign (resid  20 and name  HG2#) (resid  39 and name   HD#)  3.50 1.70 3.90
assign (resid  20 and name  HG2#) (resid  39 and name   HE#)  3.50 1.70 3.90
assign (resid  20 and name  HG2#) (resid  45 and name   HB1)  3.50 1.70 1.50
assign (resid  20 and name  HG2#) (resid  45 and name   HD#)  2.50 0.70 3.90
assign (resid  20 and name  HG2#) (resid  45 and name   HE#)  2.50 0.70 3.90
assign (resid  20 and name  HG2#) (resid  47 and name    HA)  3.50 1.70 1.50
assign (resid  20 and name  HG2#) (resid  64 and name   HE3)  4.50 2.70 1.50
assign (resid  20 and name  HG2#) (resid 106 and name    HZ)  3.50 1.70 0.50
assign (resid  20 and name  HG2#) (resid 110 and name    HZ)  4.50 2.70 1.50
assign (resid  20 and name  HD1#) (resid  21 and name    HN)  4.50 2.70 1.50
assign (resid  20 and name  HD1#) (resid  36 and name    HA)  3.50 1.70 1.50
assign (resid  20 and name  HD1#) (resid  36 and name   HB2)  3.50 1.70 1.50
assign (resid  20 and name  HD1#) (resid  36 and name   HB1)  3.50 1.70 1.50
assign (resid  20 and name  HD1#) (resid  39 and name   HD#)  4.50 2.70 3.90
assign (resid  20 and name  HD1#) (resid  39 and name   HE#)  3.50 1.70 3.90
assign (resid  20 and name  HD1#) (resid  45 and name   HD#)  4.50 2.70 3.90
assign (resid  20 and name  HD1#) (resid  45 and name   HE#)  4.50 2.70 3.90
assign (resid  20 and name  HD1#) (resid  47 and name    HA)  4.50 2.70 1.50
assign (resid  20 and name  HD1#) (resid  47 and name    HG)  3.50 1.70 1.50
assign (resid  20 and name  HD1#) (resid 106 and name    HZ)  3.50 1.70 1.50
assign (resid  20 and name  HD1#) (resid 110 and name   HD#)  3.50 1.70 3.90
assign (resid  20 and name  HD1#) (resid 110 and name   HE#)  2.50 0.70 3.90
assign (resid  20 and name  HD1#) (resid 110 and name    HZ)  2.50 0.70 1.50
assign (resid  20 and name  HD1#) (resid 114 and name  HD1#)  4.50 2.70 2.50
! TRP_21  
assign (resid  21 and name    HN) (resid  20 and name    HA)  3.50 1.70 0.50
assign (resid  21 and name    HN) (resid  20 and name    HB)  4.50 2.70 0.50
assign (resid  21 and name    HN) (resid  20 and name  HG1#)  4.50 2.70 2.30
assign (resid  21 and name    HN) (resid  20 and name  HG2#)  2.50 0.70 1.50
assign (resid  21 and name    HN) (resid  21 and name   HH2)  3.50 1.70 3.90
assign (resid  21 and name    HN) (resid  21 and name   HZ3)  3.50 1.70 1.90
assign (resid  21 and name    HN) (resid  22 and name    HN)  4.50 2.70 0.50
assign (resid  21 and name    HN) (resid  31 and name  HG1#)  5.50 3.70 1.50
assign (resid  21 and name    HN) (resid  31 and name  HG2#)  4.50 2.70 1.50
assign (resid  21 and name    HN) (resid  45 and name    HA)  5.50 3.70 0.50
assign (resid  21 and name    HN) (resid  46 and name  HG2#)  4.50 2.70 1.50
assign (resid  21 and name    HN) (resid  47 and name    HA)  3.50 1.70 0.50
assign (resid  21 and name    HA) (resid  30 and name    HA)  2.50 0.70 0.50
assign (resid  21 and name    HA) (resid  31 and name  HG2#)  2.50 0.70 1.50
assign (resid  21 and name   HB2) (resid  28 and name   HE#)  2.50 0.70 1.50
assign (resid  21 and name   HB2) (resid  31 and name  HG1#)  4.50 2.70 3.30
assign (resid  21 and name   HB2) (resid  31 and name  HG2#)  3.50 1.70 3.30
assign (resid  21 and name   HB2) (resid  46 and name  HG2#)  3.50 1.70 1.50
assign (resid  21 and name   HB1) (resid  28 and name   HE#)  3.50 1.70 1.50
assign (resid  21 and name   HD1) (resid  21 and name    HA)  3.50 1.70 0.50
assign (resid  21 and name   HD1) (resid  21 and name   HB1)  3.50 1.70 0.50
assign (resid  21 and name   HD1) (resid  21 and name   HB2)  3.50 1.70 0.50
assign (resid  21 and name   HD1) (resid  22 and name    HN)  4.50 2.70 0.50
assign (resid  21 and name   HD1) (resid  28 and name   HB#)  4.50 2.70 2.30
assign (resid  21 and name   HD1) (resid  29 and name    HA)  3.50 1.70 0.50
assign (resid  21 and name   HD1) (resid  29 and name    HN)  4.50 2.70 0.50
assign (resid  21 and name   HD1) (resid  29 and name  HG1#)  4.50 2.70 1.50
assign (resid  21 and name   HD1) (resid  29 and name  HG2#)  4.50 2.70 1.50
assign (resid  21 and name   HD1) (resid  30 and name    HA)  2.50 0.70 0.50
assign (resid  21 and name   HD1) (resid  30 and name   HB#)  3.50 1.70 2.30
assign (resid  21 and name   HD1) (resid  30 and name   HG#)  3.50 1.70 2.30
assign (resid  21 and name   HD1) (resid  30 and name   HD#)  3.50 1.70 2.30
assign (resid  21 and name   HD1) (resid  31 and name    HN)  4.50 2.70 0.50
assign (resid  21 and name   HE1) (resid   7 and name  HG1#)  4.50 2.70 1.50
assign (resid  21 and name   HE1) (resid   7 and name  HG2#)  3.50 1.70 1.50
assign (resid  21 and name   HE3) (resid  20 and name    HA)  2.50 0.70 0.50
assign (resid  21 and name   HE3) (resid  20 and name  HG1#)  4.50 2.70 2.30
assign (resid  21 and name   HE3) (resid  21 and name    HN)  2.50 0.70 0.50
assign (resid  21 and name   HE3) (resid  21 and name    HA)  4.50 2.70 0.50
assign (resid  21 and name   HE3) (resid  46 and name    HB)  3.50 1.70 0.50
assign (resid  21 and name   HE3) (resid  46 and name  HG1#)  2.50 0.70 1.50
assign (resid  21 and name   HE3) (resid  47 and name    HA)  3.50 1.70 0.50
assign (resid  21 and name   HE3) (resid  48 and name    HN)  4.50 2.70 0.50
assign (resid  21 and name   HE3) (resid  48 and name   HB1)  4.50 2.70 0.50
assign (resid  21 and name   HE3) (resid  84 and name   HE#)  3.50 1.70 1.50
assign (resid  21 and name   HH2) (resid  47 and name    HA)  3.50 1.70 2.90
assign (resid  21 and name   HH2) (resid  48 and name    HA)  3.50 1.70 2.90
assign (resid  21 and name   HH2) (resid  48 and name   HB1)  2.50 0.70 2.90
assign (resid  21 and name   HH2) (resid  61 and name  HG2#)  3.50 1.70 3.90
assign (resid  21 and name   HH2) (resid  84 and name   HE#)  2.50 0.70 3.90
assign (resid  21 and name   HH2) (resid  88 and name  HD1#)  3.50 1.70 3.90
assign (resid  21 and name   HZ2) (resid  48 and name   HB1)  4.50 2.70 0.50
assign (resid  21 and name   HZ3) (resid  47 and name    HA)  3.50 1.70 2.90
assign (resid  21 and name   HZ3) (resid  48 and name    HA)  3.50 1.70 2.90
assign (resid  21 and name   HZ3) (resid  48 and name   HB1)  2.50 0.70 2.90
assign (resid  21 and name   HZ3) (resid  61 and name  HG2#)  3.50 1.70 3.90
assign (resid  21 and name   HZ3) (resid  84 and name   HE#)  2.50 0.70 3.90
assign (resid  21 and name   HZ3) (resid  88 and name  HD1#)  4.50 2.70 3.90
! ARG+_22  
assign (resid  22 and name    HN) (resid  21 and name    HA)  2.50 0.70 0.50
assign (resid  22 and name    HN) (resid  21 and name   HB1)  4.50 2.70 0.50
assign (resid  22 and name    HN) (resid  21 and name   HB2)  4.50 2.70 2.30
assign (resid  22 and name    HN) (resid  23 and name    HA)  5.50 3.70 0.50
assign (resid  22 and name    HN) (resid  23 and name  HG1#)  4.50 2.70 2.30
assign (resid  22 and name    HN) (resid  28 and name    HA)  4.50 2.70 0.50
assign (resid  22 and name    HN) (resid  29 and name    HN)  3.50 1.70 0.50
assign (resid  22 and name    HN) (resid  29 and name    HB)  4.50 2.70 0.50
assign (resid  22 and name    HN) (resid  29 and name  HG2#)  4.50 2.70 1.50
assign (resid  22 and name    HN) (resid  30 and name    HA)  4.50 2.70 0.50
assign (resid  22 and name    HN) (resid  31 and name    HN)  3.50 1.70 0.50
assign (resid  22 and name    HN) (resid  31 and name  HG1#)  3.50 1.70 3.30
assign (resid  22 and name    HN) (resid  31 and name  HG2#)  3.50 1.70 3.30
assign (resid  22 and name    HN) (resid  45 and name   HD#)  4.50 2.70 2.90
assign (resid  22 and name    HN) (resid  45 and name   HE#)  4.50 2.70 2.90
assign (resid  22 and name    HA) (resid  45 and name    HA)  2.50 0.70 0.50
assign (resid  22 and name   HD#) (resid  45 and name   HD#)  3.50 1.70 4.70
assign (resid  22 and name   HD#) (resid  31 and name  HG1#)  3.50 1.70 3.30
assign (resid  22 and name   HD#) (resid  31 and name  HG2#)  3.50 1.70 3.30
! ILE_23  
assign (resid  23 and name    HN) (resid  22 and name    HN)  4.50 2.70 0.50
assign (resid  23 and name    HN) (resid  22 and name    HA)  2.50 0.70 0.50
assign (resid  23 and name    HN) (resid  23 and name    HB)  2.50 0.70 0.50
assign (resid  23 and name    HN) (resid  45 and name    HA)  3.50 1.70 0.50
assign (resid  23 and name    HN) (resid  45 and name   HD#)  4.50 2.70 2.90
assign (resid  23 and name    HN) (resid  45 and name   HE#)  4.50 2.70 2.90
assign (resid  23 and name    HN) (resid  46 and name    HN)  4.50 2.70 0.50
assign (resid  23 and name    HA) (resid  28 and name    HA)  2.50 0.70 0.50
assign (resid  23 and name    HB) (resid  44 and name    HA)  4.50 2.70 0.50
assign (resid  23 and name    HB) (resid  44 and name   HB1)  3.50 1.70 0.50
assign (resid  23 and name  HG1#) (resid  44 and name   HB1)  3.50 1.70 2.30
assign (resid  23 and name  HG1#) (resid  46 and name    HN)  4.50 2.70 2.30
assign (resid  23 and name  HG2#) (resid  26 and name    HA)  2.50 0.70 1.50
assign (resid  23 and name  HG2#) (resid  26 and name   HE#)  3.50 1.70 2.50
assign (resid  23 and name  HG2#) (resid  44 and name   HB1)  2.50 0.70 1.50
assign (resid  23 and name  HG2#) (resid  73 and name   HG#)  3.50 1.70 3.30
assign (resid  23 and name  HG2#) (resid  77 and name    HN)  4.50 2.70 1.50
assign (resid  23 and name  HG2#) (resid  77 and name   HB#)  3.50 1.70 2.50
assign (resid  23 and name  HD1#) (resid  22 and name    HA)  4.50 2.70 1.50
assign (resid  23 and name  HD1#) (resid  44 and name   HB1)  3.50 1.70 1.50
assign (resid  23 and name  HD1#) (resid  44 and name   HB2)  3.50 1.70 1.50
assign (resid  23 and name  HD1#) (resid  45 and name    HA)  3.50 1.70 1.50
assign (resid  23 and name  HD1#) (resid  46 and name    HN)  4.50 2.70 1.50
assign (resid  23 and name  HD1#) (resid  77 and name   HB#)  2.50 0.70 2.50
assign (resid  23 and name  HD1#) (resid  80 and name    HN)  4.50 2.70 1.50
! GLU_24  
assign (resid  24 and name    HN) (resid  23 and name    HA)  3.50 1.70 0.50
assign (resid  24 and name    HN) (resid  23 and name  HG1#)  4.50 2.70 2.30
assign (resid  24 and name    HN) (resid  23 and name  HG2#)  3.50 1.70 1.50
assign (resid  24 and name    HN) (resid  23 and name  HD1#)  4.50 2.70 1.50
assign (resid  24 and name    HN) (resid  27 and name    HN)  3.50 1.70 0.50
! ASN_25  
assign (resid  25 and name    HN) (resid  23 and name  HG2#)  5.50 3.70 1.50
assign (resid  25 and name    HN) (resid  24 and name    HA)  3.50 1.70 0.50
assign (resid  25 and name    HN) (resid  24 and name   HB#)  3.50 1.70 2.30
assign (resid  25 and name    HN) (resid  25 and name    HA)  2.50 0.70 0.50
assign (resid  25 and name    HN) (resid  26 and name    HN)  3.50 1.70 0.50
assign (resid  25 and name    HN) (resid 121 and name  HG1#)  4.50 2.70 3.30
assign (resid  25 and name    HN) (resid 121 and name  HG2#)  4.50 2.70 3.30
! MET_26  
assign (resid  26 and name    HN) (resid  23 and name  HG2#)  3.50 1.70 1.50
assign (resid  26 and name    HN) (resid  25 and name    HA)  3.50 1.70 0.50
assign (resid  26 and name    HN) (resid  25 and name   HB1)  4.50 2.70 0.50
assign (resid  26 and name    HN) (resid  25 and name   HB2)  4.50 2.70 0.50
assign (resid  26 and name    HN) (resid  26 and name    HA)  2.50 0.70 0.50
assign (resid  26 and name    HN) (resid  27 and name    HN)  3.50 1.70 0.50
assign (resid  26 and name   HB2) (resid  73 and name   HG#)  3.50 1.70 2.30
! GLU_27  
assign (resid  27 and name    HN) (resid  23 and name  HG2#)  3.50 1.70 1.50
assign (resid  27 and name    HN) (resid  26 and name    HA)  3.50 1.70 0.50
! MET_28  
assign (resid  28 and name    HN) (resid  27 and name    HA)  3.50 1.70 0.50
assign (resid  28 and name    HN) (resid  27 and name   HB#)  3.50 1.70 2.30
assign (resid  28 and name    HN) (resid  27 and name   HG#)  4.50 2.70 2.30
assign (resid  28 and name    HN) (resid  28 and name   HB#)  2.50 0.70 2.30
assign (resid  28 and name    HA) (resid  29 and name    HB)  3.50 1.70 0.50
! VAL_29  
assign (resid  29 and name    HN) (resid  21 and name   HB1)  4.50 2.70 0.50
assign (resid  29 and name    HN) (resid  28 and name    HA)  2.50 0.70 0.50
assign (resid  29 and name    HN) (resid  28 and name   HB#)  3.50 1.70 2.30
assign (resid  29 and name    HN) (resid  23 and name  HD1#)  3.50 1.70 1.50
assign (resid  29 and name    HN) (resid  29 and name    HB)  2.50 0.70 0.50
assign (resid  29 and name    HA) (resid  30 and name   HB#)  3.50 1.70 2.30
assign (resid  29 and name    HA) (resid  30 and name   HD#)  2.50 0.70 2.30
assign (resid  29 and name  HG1#) (resid  31 and name    HA)  3.50 1.70 1.50
assign (resid  29 and name  HG2#) (resid  27 and name   HG#)  4.50 2.70 3.30
! PRO_30  
assign (resid  30 and name    HA) (resid  31 and name  HG2#)  4.50 2.70 1.50
assign (resid  30 and name   HD#) (resid  29 and name  HG1#)  2.50 0.70 3.30
! VAL_31  
assign (resid  31 and name    HN) (resid  20 and name    HN)  4.50 2.70 0.50
assign (resid  31 and name    HN) (resid  21 and name    HA)  3.50 1.70 0.50
assign (resid  31 and name    HN) (resid  30 and name    HA)  2.50 0.70 0.50
assign (resid  31 and name    HN) (resid  30 and name   HB#)  3.50 1.70 2.30
assign (resid  31 and name    HA) (resid  32 and name   HD#)  2.50 0.70 2.30
assign (resid  31 and name  HG1#) (resid  20 and name  HD1#)  4.50 2.70 2.50
assign (resid  31 and name  HG1#) (resid  33 and name    HA)  3.50 1.70 3.30
assign (resid  31 and name  HG1#) (resid  36 and name    HA)  2.50 0.70 3.30
assign (resid  31 and name  HG1#) (resid  36 and name   HB1)  3.50 1.70 3.30
assign (resid  31 and name  HG1#) (resid  39 and name   HE#)  4.50 2.70 5.70
assign (resid  31 and name  HG1#) (resid  45 and name    HA)  4.50 2.70 3.30
assign (resid  31 and name  HG1#) (resid  46 and name    HN)  5.50 3.70 3.30
assign (resid  31 and name  HG2#) (resid  20 and name  HD1#)  3.50 1.70 2.50
assign (resid  31 and name  HG2#) (resid  33 and name    HA)  5.50 3.70 3.30
assign (resid  31 and name  HG2#) (resid  36 and name    HA)  2.50 0.70 3.30
assign (resid  31 and name  HG2#) (resid  36 and name   HB1)  3.50 1.70 3.30
assign (resid  31 and name  HG2#) (resid  39 and name   HE#)  4.50 2.70 5.70
assign (resid  31 and name  HG2#) (resid  45 and name    HA)  4.50 2.70 3.30
assign (resid  31 and name  HG2#) (resid  45 and name   HD#)  3.50 1.70 3.90
assign (resid  31 and name  HG2#) (resid  45 and name   HE#)  2.50 0.70 3.90
assign (resid  31 and name  HG2#) (resid  46 and name    HN)  5.50 3.70 3.30
! PRO_32  
assign (resid  32 and name   HG#) (resid  34 and name   HG#)  3.50 1.70 4.10
assign (resid  32 and name   HD#) (resid  31 and name  HG1#)  2.50 0.70 5.10
assign (resid  32 and name   HD#) (resid  31 and name  HG2#)  2.50 0.70 5.10
! THR_33  
assign (resid  33 and name    HN) (resid  32 and name    HA)  2.50 0.70 0.50
assign (resid  33 and name    HN) (resid  32 and name   HB#)  3.50 1.70 2.30
assign (resid  33 and name    HN) (resid  33 and name    HA)  2.50 0.70 0.50
! LYS+_34  
assign (resid  34 and name    HN) (resid  32 and name    HA)  4.50 2.70 0.50
assign (resid  34 and name    HN) (resid  32 and name   HB#)  4.50 2.70 2.30
assign (resid  34 and name    HN) (resid  35 and name    HN)  2.50 0.70 0.50
assign (resid  34 and name    HA) (resid  33 and name  HG2#)  4.50 2.70 1.50
! SER_35  
assign (resid  35 and name    HN) (resid  31 and name  HG1#)  4.50 2.70 3.30
assign (resid  35 and name    HN) (resid  31 and name  HG2#)  4.50 2.70 3.30
assign (resid  35 and name    HN) (resid  33 and name    HA)  4.50 2.70 0.50
assign (resid  35 and name    HN) (resid  34 and name    HA)  3.50 1.70 0.50
assign (resid  35 and name    HN) (resid  34 and name   HB#)  3.50 1.70 2.30
assign (resid  35 and name    HN) (resid  34 and name   HG#)  4.50 2.70 2.30
assign (resid  35 and name    HN) (resid  35 and name   HB2)  2.50 0.70 0.50
assign (resid  35 and name    HN) (resid  36 and name    HN)  2.50 0.70 0.50
assign (resid  35 and name    HN) (resid  36 and name   HE#)  4.50 2.70 2.90
assign (resid  35 and name   HB2) (resid  31 and name  HG1#)  2.50 0.70 1.50
assign (resid  35 and name   HB1) (resid  31 and name  HG1#)  2.50 0.70 1.50
! TYR_36  
assign (resid  36 and name    HN) (resid  31 and name  HG1#)  4.50 2.70 1.50
assign (resid  36 and name    HN) (resid  33 and name    HA)  4.50 2.70 0.50
assign (resid  36 and name    HN) (resid  35 and name    HA)  3.50 1.70 0.50
assign (resid  36 and name    HN) (resid  36 and name   HB1)  2.50 0.70 0.50
assign (resid  36 and name    HA) (resid 110 and name   HE#)  3.50 1.70 2.90
assign (resid  36 and name   HB2) (resid 110 and name   HE#)  3.50 1.70 2.90
assign (resid  36 and name   HB1) (resid 110 and name   HE#)  3.50 1.70 2.90
assign (resid  36 and name   HE#) (resid  33 and name    HA)  2.50 0.70 2.90
! GLY_37  
assign (resid  37 and name    HN) (resid  36 and name   HB2)  4.50 2.70 0.50
assign (resid  37 and name    HN) (resid  36 and name   HE#)  3.50 1.70 2.90
assign (resid  37 and name    HN) (resid  38 and name    HN)  3.50 1.70 0.50
assign (resid  37 and name   HA#) (resid  39 and name   HD#)  3.50 1.70 4.70
assign (resid  37 and name   HA#) (resid  39 and name   HE#)  3.50 1.70 4.70
assign (resid  37 and name   HA#) (resid 110 and name   HD#)  3.50 1.70 4.70
assign (resid  37 and name   HA#) (resid 110 and name   HE#)  3.50 1.70 4.70
! ASN_38  
assign (resid  38 and name    HN) (resid  37 and name   HA#)  4.50 2.70 2.30
assign (resid  38 and name    HN) (resid  38 and name   HB2)  2.50 0.70 0.50
assign (resid  38 and name    HA) (resid  39 and name    HA)  4.50 2.70 0.50
assign (resid  38 and name    HA) (resid 115 and name    HA)  4.50 2.70 0.50
assign (resid  38 and name    HA) (resid 115 and name    HB)  2.50 0.70 0.50
assign (resid  38 and name    HA) (resid 115 and name  HG1#)  4.50 2.70 2.30
assign (resid  38 and name    HA) (resid 115 and name  HG2#)  2.50 0.70 1.50
assign (resid  38 and name  HD2#) (resid 115 and name  HG2#)  3.50 1.70 3.30
assign (resid  38 and name   HB1) (resid 116 and name    HA)  4.50 2.70 0.50
assign (resid  38 and name   HB1) (resid 117 and name   HD#)  2.50 0.70 2.30
assign (resid  38 and name   HB2) (resid 117 and name   HD#)  3.50 1.70 2.30
! PHE_39  
assign (resid  39 and name    HN) (resid  38 and name    HA)  2.50 0.70 0.50
assign (resid  39 and name    HN) (resid  39 and name   HD#)  3.50 1.70 2.90
assign (resid  39 and name    HN) (resid 115 and name  HG2#)  4.50 2.70 1.50
assign (resid  39 and name    HN) (resid 115 and name  HD1#)  5.50 3.70 1.50
assign (resid  39 and name    HN) (resid 116 and name    HA)  3.50 1.70 0.50
assign (resid  39 and name    HA) (resid  45 and name   HE#)  2.50 0.70 2.90
assign (resid  39 and name    HA) (resid 117 and name   HG#)  3.50 1.70 2.30
assign (resid  39 and name   HB2) (resid  45 and name   HE#)  3.50 1.70 2.90
assign (resid  39 and name   HB1) (resid  45 and name   HE#)  3.50 1.70 2.90
assign (resid  39 and name   HD#) (resid  38 and name    HA)  4.50 2.70 2.90
assign (resid  39 and name   HD#) (resid  45 and name   HB2)  4.50 2.70 2.90
assign (resid  39 and name   HD#) (resid  45 and name   HB1)  3.50 1.70 2.90
assign (resid  39 and name   HD#) (resid  45 and name   HD#)  2.50 0.70 5.30
assign (resid  39 and name   HD#) (resid  45 and name   HE#)  3.50 1.70 5.30
assign (resid  39 and name   HD#) (resid  64 and name   HE3)  3.50 1.70 2.90
assign (resid  39 and name   HD#) (resid  64 and name   HZ3)  4.50 2.70 2.90
assign (resid  39 and name   HD#) (resid 110 and name   HE#)  4.50 2.70 5.30
assign (resid  39 and name   HD#) (resid 110 and name    HZ)  4.50 2.70 1.50
assign (resid  39 and name   HD#) (resid 114 and name    HA)  3.50 1.70 2.90
assign (resid  39 and name   HD#) (resid 116 and name   HD#)  3.50 1.70 5.30
assign (resid  39 and name   HD#) (resid 116 and name   HE#)  3.50 1.70 5.30
assign (resid  39 and name   HE#) (resid  47 and name  HD1#)  3.50 1.70 3.90
assign (resid  39 and name   HE#) (resid 110 and name   HD#)  3.50 1.70 5.30
assign (resid  39 and name   HE#) (resid 110 and name   HE#)  3.50 1.70 5.30
assign (resid  39 and name   HE#) (resid 110 and name    HZ)  3.50 1.70 2.90
assign (resid  39 and name   HE#) (resid 114 and name    HA)  3.50 1.70 2.90
assign (resid  39 and name   HE#) (resid 114 and name   HB1)  4.50 2.70 2.90
assign (resid  39 and name    HZ) (resid 110 and name   HD#)  3.50 1.70 2.90
assign (resid  39 and name    HZ) (resid 110 and name   HE#)  2.50 0.70 2.90
assign (resid  39 and name    HZ) (resid 110 and name    HZ)  4.50 2.70 0.50
! TYR_40  
assign (resid  40 and name    HN) (resid  39 and name    HA)  2.50 0.70 0.50
assign (resid  40 and name    HN) (resid  45 and name   HE#)  3.50 1.70 2.90
assign (resid  40 and name    HA) (resid  45 and name   HE#)  4.50 2.70 2.90
assign (resid  40 and name    HA) (resid 116 and name    HA)  4.50 2.70 0.50
assign (resid  40 and name    HA) (resid 117 and name    HA)  4.50 2.70 0.50
assign (resid  40 and name    HA) (resid 117 and name   HB2)  2.50 0.70 0.50
assign (resid  40 and name    HA) (resid 117 and name   HB1)  3.50 1.70 0.50
assign (resid  40 and name   HB2) (resid  42 and name   HA#)  4.50 2.70 2.30
assign (resid  40 and name   HB2) (resid  43 and name    HN)  4.50 2.70 0.50
assign (resid  40 and name   HB1) (resid  43 and name    HN)  4.50 2.70 0.50
assign (resid  40 and name   HB1) (resid  45 and name   HE#)  3.50 1.70 2.90
assign (resid  40 and name   HB1) (resid 118 and name    HA)  3.50 1.70 0.50
assign (resid  40 and name   HD#) (resid 117 and name   HD#)  3.50 1.70 4.70
assign (resid  40 and name   HD#) (resid 118 and name    HA)  3.50 1.70 2.90
assign (resid  40 and name   HD#) (resid 119 and name   HA#)  3.50 1.70 4.70
assign (resid  40 and name   HE#) (resid 117 and name    HA)  3.50 1.70 2.90
assign (resid  40 and name   HE#) (resid 118 and name    HA)  4.50 2.70 2.90
assign (resid  40 and name   HE#) (resid 119 and name   HA#)  3.50 1.70 4.70
! GLU_41  
assign (resid  41 and name    HN) (resid  40 and name    HA)  2.50 0.70 0.50
assign (resid  41 and name    HN) (resid  40 and name   HB2)  4.50 2.70 2.30
assign (resid  41 and name    HN) (resid  40 and name   HB1)  4.50 2.70 2.30
assign (resid  41 and name    HN) (resid  40 and name   HD#)  3.50 1.70 2.90
assign (resid  41 and name    HN) (resid  42 and name    HN)  4.50 2.70 0.50
assign (resid  41 and name    HN) (resid 117 and name   HB2)  4.50 2.70 0.50
assign (resid  41 and name    HA) (resid  43 and name    HN)  3.50 1.70 0.50
assign (resid  41 and name    HA) (resid  45 and name   HE#)  4.50 2.70 2.90
assign (resid  41 and name    HA) (resid  64 and name   HZ3)  2.50 0.70 0.50
assign (resid  41 and name    HA) (resid  66 and name   HA#)  3.50 1.70 2.30
assign (resid  41 and name   HB2) (resid 116 and name   HB2)  3.50 1.70 0.50
assign (resid  41 and name   HG#) (resid 118 and name    HA)  3.50 1.70 2.30
! GLY_42  
assign (resid  42 and name    HN) (resid  40 and name   HB2)  4.50 2.70 2.30
assign (resid  42 and name    HN) (resid  40 and name   HB1)  4.50 2.70 2.30
assign (resid  42 and name    HN) (resid  41 and name   HB2)  4.50 2.70 0.50
assign (resid  42 and name    HN) (resid  43 and name    HN)  3.50 1.70 0.50
assign (resid  42 and name   HA#) (resid  68 and name   HB2)  3.50 1.70 2.30
assign (resid  42 and name   HA#) (resid  68 and name   HB1)  3.50 1.70 2.30
assign (resid  42 and name   HA#) (resid  68 and name    HA)  4.50 2.70 2.30
! ASP-_43  
assign (resid  43 and name    HN) (resid  43 and name    HA)  2.50 0.70 0.50
assign (resid  43 and name    HN) (resid  45 and name   HD#)  4.50 2.70 2.90
assign (resid  43 and name    HN) (resid  45 and name   HE#)  3.50 1.70 2.90
assign (resid  43 and name    HN) (resid  66 and name    HN)  3.50 1.70 0.50
assign (resid  43 and name    HA) (resid  69 and name    HA)  4.50 2.70 0.50
assign (resid  43 and name    HA) (resid  69 and name   HB1)  3.50 1.70 0.50
assign (resid  43 and name    HA) (resid  69 and name   HB2)  4.50 2.70 0.50
! CYSH_44  
assign (resid  44 and name    HN) (resid  23 and name    HB)  4.50 2.70 0.50
assign (resid  44 and name    HN) (resid  43 and name    HA)  3.50 1.70 0.50
assign (resid  44 and name    HA) (resid  43 and name    HA)  4.50 2.70 0.50
assign (resid  44 and name    HA) (resid  45 and name    HA)  4.50 2.70 0.50
assign (resid  44 and name    HA) (resid  45 and name   HD#)  3.50 1.70 2.90
assign (resid  44 and name    HA) (resid  45 and name   HE#)  4.50 2.70 2.90
assign (resid  44 and name    HA) (resid  64 and name   HE3)  4.50 2.70 0.50
assign (resid  44 and name    HA) (resid  65 and name    HA)  3.50 1.70 0.50
assign (resid  44 and name    HA) (resid  65 and name  HD2#)  3.50 1.70 1.50
assign (resid  44 and name    HA) (resid  64 and name   HB2)  4.50 2.70 0.50
assign (resid  44 and name   HB2) (resid  77 and name    HN)  4.50 2.70 0.50
assign (resid  44 and name   HB2) (resid  77 and name   HB#)  2.50 0.70 1.50
assign (resid  44 and name   HB1) (resid  64 and name    HN)  4.50 2.70 0.50
assign (resid  44 and name   HB1) (resid  65 and name  HD2#)  3.50 1.70 1.50
assign (resid  44 and name   HB1) (resid  74 and name    HA)  4.50 2.70 0.50
assign (resid  44 and name   HB1) (resid  77 and name   HB#)  2.50 0.70 1.50
! TYR_45  
assign (resid  45 and name    HN) (resid  44 and name    HA)  3.50 1.70 0.50
assign (resid  45 and name    HN) (resid  44 and name   HB2)  4.50 2.70 0.50
assign (resid  45 and name    HN) (resid  44 and name   HB1)  3.50 1.70 0.50
assign (resid  45 and name    HN) (resid  45 and name   HD#)  2.50 0.70 2.90
assign (resid  45 and name    HN) (resid  45 and name   HE#)  4.50 2.70 2.90
assign (resid  45 and name    HN) (resid  46 and name  HG2#)  4.50 2.70 1.50
assign (resid  45 and name    HN) (resid  64 and name   HB2)  4.50 2.70 0.50
assign (resid  45 and name    HN) (resid  64 and name   HE3)  4.50 2.70 0.50
assign (resid  45 and name    HN) (resid  65 and name    HA)  4.50 2.70 0.50
assign (resid  45 and name    HA) (resid  46 and name  HG2#)  3.50 1.70 1.50
assign (resid  45 and name    HA) (resid  64 and name   HE3)  4.50 2.70 0.50
assign (resid  45 and name   HD#) (resid  22 and name    HA)  3.50 1.70 2.90
assign (resid  45 and name   HD#) (resid  39 and name   HE#)  3.50 1.70 5.30
assign (resid  45 and name   HD#) (resid  64 and name   HB2)  4.50 2.70 2.90
assign (resid  45 and name   HD#) (resid  64 and name   HE3)  2.50 0.70 2.90
assign (resid  45 and name   HD#) (resid  64 and name   HH2)  4.50 2.70 2.90
assign (resid  45 and name   HD#) (resid 106 and name   HE#)  3.50 1.70 5.30
assign (resid  45 and name   HE#) (resid  22 and name    HA)  3.50 1.70 2.90
assign (resid  45 and name   HE#) (resid  39 and name   HE#)  3.50 1.70 5.30
assign (resid  45 and name   HE#) (resid  64 and name   HE3)  3.50 1.70 2.90
assign (resid  45 and name   HE#) (resid  64 and name   HH2)  3.50 1.70 2.90
! VAL_46  
assign (resid  46 and name    HN) (resid  21 and name    HN)  2.50 0.70 0.50
assign (resid  46 and name    HN) (resid  22 and name    HA)  4.50 2.70 0.50
assign (resid  46 and name    HN) (resid  28 and name   HE#)  4.50 2.70 1.50
assign (resid  46 and name    HN) (resid  45 and name    HA)  2.50 0.70 0.50
assign (resid  46 and name    HN) (resid  45 and name   HB2)  3.50 1.70 2.30
assign (resid  46 and name    HN) (resid  45 and name   HB1)  3.50 1.70 0.50
assign (resid  46 and name    HN) (resid  46 and name    HB)  2.50 0.70 0.50
assign (resid  46 and name    HA) (resid  63 and name    HA)  2.50 0.70 0.50
assign (resid  46 and name    HA) (resid  63 and name   HB2)  4.50 2.70 0.50
assign (resid  46 and name    HA) (resid  63 and name   HB1)  4.50 2.70 0.50
assign (resid  46 and name    HA) (resid  63 and name   HD#)  4.50 2.70 2.90
assign (resid  46 and name    HB) (resid  28 and name   HE#)  3.50 1.70 1.50
assign (resid  46 and name  HG1#) (resid  63 and name    HA)  3.50 1.70 1.50
assign (resid  46 and name  HG1#) (resid  63 and name   HD#)  3.50 1.70 3.90
assign (resid  46 and name  HG2#) (resid  63 and name   HB1)  3.50 1.70 1.50
assign (resid  46 and name  HG2#) (resid  77 and name    HN)  4.50 2.70 1.50
assign (resid  46 and name  HG2#) (resid  77 and name   HB#)  2.50 0.70 2.50
assign (resid  46 and name  HG2#) (resid  80 and name    HN)  4.50 2.70 1.50
! LEU_47  
assign (resid  47 and name    HN) (resid  21 and name   HE3)  4.50 2.70 0.50
assign (resid  47 and name    HN) (resid  46 and name    HA)  2.50 0.70 0.50
assign (resid  47 and name    HN) (resid  46 and name  HG1#)  2.50 0.70 1.50
assign (resid  47 and name    HN) (resid  48 and name    HN)  4.50 2.70 0.50
assign (resid  47 and name    HN) (resid  61 and name  HG2#)  3.50 1.70 1.50
assign (resid  47 and name    HN) (resid  62 and name    HN)  3.50 1.70 0.50
assign (resid  47 and name    HN) (resid  62 and name   HD2)  4.50 2.70 0.50
assign (resid  47 and name    HN) (resid  63 and name    HA)  4.50 2.70 0.50
assign (resid  47 and name    HA) (resid  48 and name    HA)  4.50 2.70 0.50
assign (resid  47 and name    HA) (resid  62 and name    HN)  4.50 2.70 0.50
assign (resid  47 and name   HB2) (resid 106 and name    HZ)  4.50 2.70 0.50
assign (resid  47 and name   HB1) (resid  62 and name    HN)  4.50 2.70 0.50
assign (resid  47 and name  HD1#) (resid  18 and name    HB)  3.50 1.70 1.50
assign (resid  47 and name  HD1#) (resid  20 and name  HG2#)  3.50 1.70 2.50
assign (resid  47 and name  HD1#) (resid  20 and name  HD1#)  2.50 0.70 2.50
assign (resid  47 and name  HD1#) (resid  62 and name   HD2)  4.50 2.70 1.50
assign (resid  47 and name  HD1#) (resid 106 and name    HZ)  2.50 0.70 1.50
assign (resid  47 and name  HD1#) (resid 109 and name   HD#)  3.50 1.70 3.90
assign (resid  47 and name  HD1#) (resid 109 and name   HE#)  3.50 1.70 3.90
assign (resid  47 and name  HD1#) (resid 110 and name   HD#)  4.50 2.70 3.90
assign (resid  47 and name  HD1#) (resid 110 and name   HE#)  2.50 0.70 3.90
assign (resid  47 and name  HD1#) (resid 110 and name    HZ)  2.50 0.70 1.50
assign (resid  47 and name  HD2#) (resid  18 and name    HA)  4.50 2.70 2.30
assign (resid  47 and name  HD2#) (resid  49 and name   HB2)  2.50 0.70 1.50
assign (resid  47 and name  HD2#) (resid  49 and name   HB1)  3.50 1.70 1.50
assign (resid  47 and name  HD2#) (resid  61 and name    HA)  4.50 2.70 1.50
assign (resid  47 and name  HD2#) (resid  62 and name   HB1)  3.50 1.70 1.50
assign (resid  47 and name  HD2#) (resid  62 and name   HD2)  2.50 0.70 1.50
assign (resid  47 and name  HD2#) (resid 109 and name   HD#)  2.50 0.70 3.90
assign (resid  47 and name  HD2#) (resid 109 and name   HE#)  2.50 0.70 3.90
! LEU_48  
assign (resid  48 and name    HN) (resid  20 and name    HA)  4.50 2.70 0.50
assign (resid  48 and name    HN) (resid  21 and name   HH2)  3.50 1.70 3.00
assign (resid  48 and name    HN) (resid  21 and name   HZ3)  3.50 1.70 3.00
assign (resid  48 and name    HN) (resid  47 and name    HA)  2.50 0.70 0.50
assign (resid  48 and name    HN) (resid  47 and name  HD1#)  4.50 2.70 1.50
assign (resid  48 and name    HN) (resid  47 and name  HD2#)  3.50 1.70 1.50
assign (resid  48 and name    HA) (resid  59 and name   HD#)  4.50 2.70 2.90
assign (resid  48 and name    HA) (resid  61 and name  HG2#)  4.50 2.70 1.50
assign (resid  48 and name    HA) (resid  62 and name   HD2)  4.50 2.70 0.50
assign (resid  48 and name  HD1#) (resid  59 and name    HA)  2.50 0.70 1.50
assign (resid  48 and name  HD1#) (resid  59 and name   HB2)  2.50 0.70 1.50
assign (resid  48 and name  HD1#) (resid  59 and name   HB1)  2.50 0.70 3.30
assign (resid  48 and name  HD1#) (resid  61 and name    HA)  3.50 1.70 1.50
assign (resid  48 and name  HD1#) (resid  88 and name  HD1#)  2.50 0.70 2.50
assign (resid  48 and name  HD1#) (resid  88 and name  HD2#)  2.50 0.70 4.30
assign (resid  48 and name  HD2#) (resid  59 and name   HB1)  2.50 0.70 3.30
assign (resid  48 and name  HD2#) (resid  88 and name  HD1#)  2.50 0.70 2.50
assign (resid  48 and name  HD2#) (resid  88 and name  HD2#)  2.50 0.70 4.30
! SER_49  
assign (resid  49 and name    HN) (resid  47 and name  HD2#)  4.50 2.70 1.50
assign (resid  49 and name    HN) (resid  48 and name    HA)  2.50 0.70 0.50
assign (resid  49 and name    HN) (resid  48 and name  HD1#)  3.50 1.70 3.30
assign (resid  49 and name    HN) (resid  48 and name  HD2#)  3.50 1.70 3.30
assign (resid  49 and name    HN) (resid  48 and name    HG)  3.50 1.70 0.50
assign (resid  49 and name    HN) (resid  59 and name    HA)  4.50 2.70 0.50
assign (resid  49 and name    HN) (resid  59 and name   HD#)  4.50 2.70 2.90
assign (resid  49 and name    HN) (resid  60 and name    HN)  4.50 2.70 0.50
assign (resid  49 and name    HN) (resid  60 and name   HB1)  4.50 2.70 0.50
assign (resid  49 and name    HN) (resid  60 and name   HB2)  3.50 1.70 0.50
assign (resid  49 and name    HN) (resid  62 and name   HD2)  3.50 1.70 0.50
assign (resid  49 and name    HN) (resid 109 and name   HE#)  4.50 2.70 2.90
assign (resid  49 and name    HA) (resid  18 and name  HG2#)  3.50 1.70 1.50
assign (resid  49 and name    HA) (resid  18 and name  HD1#)  5.50 3.70 1.50
assign (resid  49 and name    HA) (resid  50 and name    HA)  4.50 2.70 0.50
assign (resid  49 and name    HA) (resid  50 and name    HB)  3.50 1.70 0.50
assign (resid  49 and name    HA) (resid 109 and name   HE#)  4.50 2.70 2.90
assign (resid  49 and name   HB2) (resid  60 and name    HA)  5.50 3.70 0.50
assign (resid  49 and name   HB2) (resid 109 and name   HE#)  3.50 1.70 2.90
assign (resid  49 and name   HB2) (resid 109 and name   HD#)  4.50 2.70 2.90
assign (resid  49 and name   HB1) (resid  60 and name    HA)  4.50 2.70 0.50
assign (resid  49 and name   HB1) (resid  60 and name   HB1)  3.50 1.70 0.50
assign (resid  49 and name   HB1) (resid  60 and name   HB2)  3.50 1.70 0.50
assign (resid  49 and name   HB1) (resid 109 and name   HE#)  3.50 1.70 2.90
! THR_50  
assign (resid  50 and name    HN) (resid  18 and name    HA)  3.50 1.70 0.50
assign (resid  50 and name    HN) (resid  18 and name  HG2#)  4.50 2.70 1.50
assign (resid  50 and name    HN) (resid  49 and name    HA)  2.50 0.70 0.50
assign (resid  50 and name    HN) (resid  50 and name    HB)  2.50 0.70 0.50
assign (resid  50 and name    HA) (resid  59 and name    HA)  3.50 1.70 0.50
assign (resid  50 and name    HB) (resid  57 and name   HD#)  3.50 1.70 2.90
assign (resid  50 and name    HB) (resid  59 and name   HE#)  3.50 1.70 2.90
assign (resid  50 and name  HG2#) (resid  57 and name    HA)  3.50 1.70 1.50
assign (resid  50 and name  HG2#) (resid  57 and name   HB1)  3.50 1.70 1.50
assign (resid  50 and name  HG2#) (resid  57 and name   HB2)  3.50 1.70 1.50
assign (resid  50 and name  HG2#) (resid  57 and name   HD#)  2.50 0.70 3.90
assign (resid  50 and name  HG2#) (resid  59 and name    HA)  3.50 1.70 1.50
assign (resid  50 and name  HG2#) (resid  59 and name   HD#)  2.50 0.70 3.90
assign (resid  50 and name  HG2#) (resid  59 and name   HE#)  2.50 0.70 3.90
! ARG+_51  
assign (resid  51 and name    HN) (resid  50 and name    HA)  2.50 0.70 0.50
assign (resid  51 and name    HN) (resid  50 and name  HG2#)  3.50 1.70 1.50
assign (resid  51 and name    HN) (resid  52 and name    HA)  4.50 2.70 0.50
assign (resid  51 and name    HN) (resid  57 and name    HA)  4.50 2.70 0.50
assign (resid  51 and name    HN) (resid  57 and name   HD#)  3.50 1.70 2.90
assign (resid  51 and name    HN) (resid  58 and name    HN)  2.50 0.70 0.50
assign (resid  51 and name   HB#) (resid  53 and name  HG2#)  3.50 1.70 3.30
assign (resid  51 and name   HD#) (resid  53 and name  HG2#)  3.50 1.70 3.30
! LYS+_52  
assign (resid  52 and name    HN) (resid  16 and name   HB#)  3.50 1.70 2.30
assign (resid  52 and name    HN) (resid  51 and name    HA)  3.50 1.70 0.50
assign (resid  52 and name    HA) (resid  57 and name    HA)  2.50 0.70 0.50
assign (resid  52 and name    HA) (resid  57 and name    HZ)  4.50 2.70 0.50
assign (resid  52 and name   HB2) (resid  57 and name   HD#)  3.50 1.70 2.90
assign (resid  52 and name   HB1) (resid  57 and name   HD#)  3.50 1.70 2.90
assign (resid  52 and name   HG#) (resid  16 and name   HB#)  3.50 1.70 4.10
! THR_53  
assign (resid  53 and name    HN) (resid  52 and name    HN)  4.50 2.70 0.50
assign (resid  53 and name    HN) (resid  52 and name    HA)  2.50 0.70 0.50
assign (resid  53 and name    HN) (resid  52 and name   HB1)  3.50 1.70 0.50
assign (resid  53 and name    HN) (resid  52 and name   HG#)  3.50 1.70 2.30
assign (resid  53 and name    HN) (resid  53 and name    HA)  2.50 0.70 0.50
assign (resid  53 and name    HN) (resid  56 and name    HN)  4.50 2.70 0.50
assign (resid  53 and name    HN) (resid  57 and name    HA)  3.50 1.70 0.50
assign (resid  53 and name    HB) (resid  58 and name   HB#)  4.50 2.70 2.30
assign (resid  53 and name  HG2#) (resid  52 and name    HA)  4.50 2.70 1.50
assign (resid  53 and name  HG2#) (resid  57 and name    HA)  3.50 1.70 1.50
! GLY_54  
assign (resid  54 and name    HN) (resid  53 and name    HN)  4.50 2.70 0.50
assign (resid  54 and name    HN) (resid  53 and name    HA)  2.50 0.70 0.50
assign (resid  54 and name    HN) (resid  53 and name    HB)  2.50 0.70 0.50
assign (resid  54 and name    HN) (resid  53 and name  HG2#)  3.50 1.70 1.50
! SER_55  
assign (resid  55 and name    HN) (resid  53 and name    HB)  2.50 0.70 0.50
assign (resid  55 and name    HN) (resid  54 and name    HN)  4.50 2.70 0.50
assign (resid  55 and name    HN) (resid  54 and name   HA#)  2.50 0.70 2.30
assign (resid  55 and name    HN) (resid  56 and name    HN)  2.50 0.70 0.50
! GLY_56  
assign (resid  56 and name    HN) (resid  55 and name    HA)  3.50 1.70 0.50
assign (resid  56 and name    HN) (resid  57 and name    HN)  3.50 1.70 0.50
! PHE_57  
assign (resid  57 and name    HN) (resid  56 and name   HA#)  3.50 1.70 2.30
assign (resid  57 and name    HN) (resid  57 and name   HB2)  2.50 0.70 0.50
assign (resid  57 and name    HA) (resid  57 and name   HD#)  2.50 0.70 2.90
assign (resid  57 and name    HA) (resid  57 and name   HE#)  3.50 1.70 2.90
assign (resid  57 and name    HA) (resid  58 and name    HA)  4.50 2.70 0.50
assign (resid  57 and name    HA) (resid  58 and name   HB#)  4.50 2.70 2.30
assign (resid  57 and name    HA) (resid  59 and name   HE#)  4.50 2.70 2.90
assign (resid  57 and name   HB1) (resid  58 and name    HA)  4.50 2.70 0.50
assign (resid  57 and name   HB1) (resid  59 and name   HE#)  2.50 0.70 2.90
assign (resid  57 and name   HB2) (resid  59 and name   HE#)  3.50 1.70 2.90
assign (resid  57 and name   HD#) (resid  52 and name    HA)  2.50 0.70 2.90
assign (resid  57 and name   HD#) (resid  56 and name   HA#)  3.50 1.70 4.70
assign (resid  57 and name   HE#) (resid  52 and name    HA)  3.50 1.70 2.90
assign (resid  57 and name   HE#) (resid  52 and name   HG#)  3.50 1.70 4.70
! SER_58  
assign (resid  58 and name    HN) (resid  51 and name   HB#)  4.50 2.70 2.30
assign (resid  58 and name    HN) (resid  52 and name    HA)  4.50 2.70 0.50
assign (resid  58 and name    HN) (resid  53 and name  HG2#)  4.50 2.70 1.50
assign (resid  58 and name    HN) (resid  57 and name    HA)  2.50 0.70 0.50
assign (resid  58 and name    HN) (resid  57 and name   HB1)  3.50 1.70 0.50
assign (resid  58 and name    HN) (resid  57 and name   HB2)  3.50 1.70 0.50
assign (resid  58 and name    HN) (resid  57 and name   HD#)  3.50 1.70 2.90
assign (resid  58 and name    HA) (resid  59 and name    HA)  4.50 2.70 0.50
assign (resid  58 and name    HA) (resid  59 and name   HD#)  2.50 0.70 2.90
assign (resid  58 and name    HA) (resid  59 and name   HE#)  3.50 1.70 2.90
assign (resid  58 and name    HA) (resid  91 and name  HG2#)  3.50 1.70 1.50
assign (resid  58 and name   HB#) (resid  51 and name   HG#)  3.50 1.70 4.10
assign (resid  58 and name   HB#) (resid  53 and name  HG2#)  2.50 0.70 3.30
assign (resid  58 and name   HB#) (resid  51 and name   HB#)  3.50 1.70 4.10
! TYR_59  
assign (resid  59 and name    HN) (resid  58 and name    HA)  2.50 0.70 0.50
assign (resid  59 and name    HN) (resid  58 and name   HB#)  3.50 1.70 2.30
assign (resid  59 and name    HN) (resid  59 and name   HB2)  2.50 0.70 0.50
assign (resid  59 and name    HN) (resid  91 and name  HG1#)  4.50 2.70 1.50
assign (resid  59 and name    HN) (resid  91 and name  HG2#)  4.50 2.70 1.50
assign (resid  59 and name    HN) (resid  92 and name    HA)  4.50 2.70 0.50
assign (resid  59 and name    HA) (resid  59 and name   HD#)  2.50 0.70 2.90
assign (resid  59 and name    HA) (resid  60 and name    HA)  4.50 2.70 0.50
assign (resid  59 and name    HA) (resid  60 and name   HB1)  5.50 3.70 0.50
assign (resid  59 and name    HA) (resid  60 and name   HB2)  3.50 1.70 0.50
assign (resid  59 and name    HA) (resid  88 and name  HD1#)  4.50 2.70 1.50
assign (resid  59 and name    HA) (resid  92 and name    HA)  3.50 1.70 0.50
assign (resid  59 and name    HA) (resid  92 and name   HB#)  4.50 2.70 1.50
assign (resid  59 and name   HB2) (resid  92 and name    HA)  3.50 1.70 0.50
assign (resid  59 and name   HB2) (resid  92 and name   HB#)  2.50 0.70 1.50
assign (resid  59 and name   HB1) (resid  88 and name  HD1#)  3.50 1.70 1.50
assign (resid  59 and name   HB1) (resid  92 and name    HA)  3.50 1.70 0.50
assign (resid  59 and name   HB1) (resid  92 and name   HB#)  2.50 0.70 1.50
assign (resid  59 and name   HD#) (resid  50 and name    HA)  2.50 0.70 2.90
assign (resid  59 and name   HD#) (resid  88 and name  HD1#)  4.50 2.70 3.90
assign (resid  59 and name   HD#) (resid  88 and name  HD2#)  3.50 1.70 3.90
assign (resid  59 and name   HD#) (resid  92 and name    HA)  2.50 0.70 2.90
assign (resid  59 and name   HE#) (resid  50 and name    HA)  3.50 1.70 2.90
assign (resid  59 and name   HE#) (resid  88 and name  HD2#)  3.50 1.70 3.90
assign (resid  59 and name   HE#) (resid  92 and name    HA)  3.50 1.70 2.90
! ASN_60  
assign (resid  60 and name    HN) (resid  48 and name  HD1#)  4.50 2.70 3.30
assign (resid  60 and name    HN) (resid  48 and name  HD2#)  4.50 2.70 3.30
assign (resid  60 and name    HN) (resid  49 and name   HB1)  4.50 2.70 0.50
assign (resid  60 and name    HN) (resid  50 and name    HA)  3.50 1.70 0.50
assign (resid  60 and name    HN) (resid  59 and name    HA)  2.50 0.70 0.50
assign (resid  60 and name    HN) (resid  59 and name   HB2)  4.50 2.70 2.30
assign (resid  60 and name    HN) (resid  59 and name   HD#)  4.50 2.70 2.90
assign (resid  60 and name    HN) (resid  60 and name   HB2)  2.50 0.70 0.50
assign (resid  60 and name    HN) (resid  62 and name   HD2)  5.50 3.70 0.50
assign (resid  60 and name    HN) (resid  92 and name    HA)  4.50 2.70 0.50
assign (resid  60 and name    HN) (resid  92 and name   HB#)  3.50 1.70 1.50
assign (resid  60 and name    HA) (resid  61 and name    HB)  4.50 2.70 0.50
assign (resid  60 and name    HA) (resid  93 and name    HB)  2.50 0.70 0.50
assign (resid  60 and name    HA) (resid  93 and name  HG1#)  3.50 1.70 1.50
assign (resid  60 and name    HA) (resid  93 and name  HG2#)  2.50 0.70 1.50
assign (resid  60 and name    HA) (resid  94 and name    HA)  4.50 2.70 0.50
assign (resid  60 and name    HA) (resid  95 and name   HE1)  3.50 1.70 0.50
assign (resid  60 and name   HB1) (resid  95 and name   HE1)  2.50 0.70 2.50
assign (resid  60 and name   HB1) (resid 109 and name   HE#)  4.50 2.70 2.90
! ILE_61  
assign (resid  61 and name    HN) (resid  60 and name    HA)  2.50 0.70 0.50
assign (resid  61 and name    HN) (resid  60 and name   HB1)  4.50 2.70 2.30
assign (resid  61 and name    HN) (resid  92 and name   HB#)  4.50 2.70 1.50
assign (resid  61 and name    HN) (resid  94 and name    HA)  3.50 1.70 0.50
assign (resid  61 and name    HN) (resid  95 and name    HN)  4.50 2.70 0.50
assign (resid  61 and name    HA) (resid  47 and name    HN)  4.50 2.70 0.50
assign (resid  61 and name    HA) (resid  48 and name    HA)  3.50 1.70 0.50
assign (resid  61 and name    HA) (resid  49 and name    HN)  3.50 1.70 0.50
assign (resid  61 and name    HA) (resid  62 and name   HD2)  2.50 0.70 0.50
assign (resid  61 and name    HA) (resid  81 and name  HG2#)  3.50 1.70 1.50
assign (resid  61 and name  HG2#) (resid  62 and name    HA)  3.50 1.70 1.50
assign (resid  61 and name  HG2#) (resid  63 and name   HB1)  4.50 2.70 1.50
assign (resid  61 and name  HG2#) (resid  63 and name   HD#)  3.50 1.70 3.90
assign (resid  61 and name  HG2#) (resid  88 and name  HD1#)  3.50 1.70 2.50
assign (resid  61 and name  HG2#) (resid  94 and name    HA)  3.50 1.70 1.50
assign (resid  61 and name  HD1#) (resid  81 and name    HA)  3.50 1.70 1.50
assign (resid  61 and name  HD1#) (resid  84 and name   HB#)  2.50 0.70 3.30
assign (resid  61 and name  HD1#) (resid  85 and name    HA)  2.50 0.70 1.50
assign (resid  61 and name  HD1#) (resid  85 and name   HB#)  3.50 1.70 3.30
assign (resid  61 and name  HD1#) (resid  88 and name  HD1#)  2.50 0.70 2.50
assign (resid  61 and name  HD1#) (resid  92 and name   HB#)  2.50 0.70 2.50
assign (resid  61 and name  HD1#) (resid  94 and name    HA)  4.50 2.70 1.50
! HIS+_62  
assign (resid  62 and name    HN) (resid  47 and name  HD2#)  4.50 2.70 1.50
assign (resid  62 and name    HN) (resid  48 and name    HA)  3.50 1.70 0.50
assign (resid  62 and name    HN) (resid  61 and name    HA)  2.50 0.70 0.50
assign (resid  62 and name    HN) (resid  61 and name    HB)  4.50 2.70 0.50
assign (resid  62 and name    HN) (resid  61 and name  HD1#)  5.50 3.70 1.50
assign (resid  62 and name    HN) (resid  61 and name  HG1#)  3.50 1.70 2.30
assign (resid  62 and name    HN) (resid  61 and name  HG2#)  3.50 1.70 1.50
assign (resid  62 and name    HN) (resid  62 and name   HD2)  3.50 1.70 0.50
assign (resid  62 and name    HN) (resid  81 and name  HG2#)  4.50 2.70 1.50
assign (resid  62 and name    HA) (resid  61 and name    HA)  4.50 2.70 0.50
assign (resid  62 and name    HA) (resid  62 and name   HD2)  4.50 2.70 0.50
assign (resid  62 and name    HA) (resid  81 and name  HG2#)  3.50 1.70 1.50
assign (resid  62 and name    HA) (resid  95 and name   HB2)  3.50 1.70 0.50
assign (resid  62 and name   HB1) (resid 106 and name   HD#)  3.50 1.70 2.90
assign (resid  62 and name   HB1) (resid 106 and name   HE#)  3.50 1.70 2.90
assign (resid  62 and name   HB1) (resid 106 and name    HZ)  5.50 3.70 0.50
assign (resid  62 and name   HB2) (resid 106 and name   HD#)  3.50 1.70 2.90
assign (resid  62 and name   HD2) (resid  63 and name    HN)  5.50 3.70 0.50
assign (resid  62 and name   HD2) (resid  95 and name   HD2)  2.50 0.70 0.50
assign (resid  62 and name   HD2) (resid 109 and name   HD#)  4.50 2.70 2.90
assign (resid  62 and name   HD2) (resid 109 and name   HE#)  2.50 0.70 2.90
! TYR_63  
assign (resid  63 and name    HN) (resid  62 and name   HB1)  3.50 1.70 0.50
assign (resid  63 and name    HN) (resid  65 and name  HD2#)  4.50 2.70 1.50
assign (resid  63 and name    HN) (resid  95 and name   HB1)  4.50 2.70 0.50
assign (resid  63 and name    HN) (resid  95 and name   HB2)  3.50 1.70 0.50
assign (resid  63 and name    HN) (resid  95 and name   HD2)  4.50 2.70 0.50
assign (resid  63 and name    HN) (resid  96 and name    HA)  3.50 1.70 0.50
assign (resid  63 and name    HA) (resid  62 and name   HB1)  3.50 1.70 0.50
assign (resid  63 and name    HA) (resid  62 and name   HB2)  4.50 2.70 0.50
assign (resid  63 and name    HA) (resid  63 and name   HD#)  3.50 1.70 2.90
assign (resid  63 and name    HA) (resid  64 and name    HA)  4.50 2.70 0.50
assign (resid  63 and name   HD#) (resid  65 and name  HD1#)  2.50 0.70 3.90
assign (resid  63 and name   HD#) (resid  65 and name  HD2#)  2.50 0.70 3.90
assign (resid  63 and name   HD#) (resid  65 and name    HN)  4.50 2.70 2.90
assign (resid  63 and name   HD#) (resid  74 and name   HB#)  3.50 1.70 4.70
assign (resid  63 and name   HD#) (resid  81 and name  HG2#)  2.50 0.70 3.90
assign (resid  63 and name   HD#) (resid  94 and name   HB#)  4.50 2.70 4.70
assign (resid  63 and name   HD#) (resid  97 and name    HN)  4.50 2.70 2.90
assign (resid  63 and name   HE#) (resid  65 and name    HN)  4.50 2.70 2.90
assign (resid  63 and name   HE#) (resid  78 and name   HB#)  2.50 0.70 3.90
assign (resid  63 and name   HE#) (resid  94 and name    HA)  4.50 2.70 2.90
assign (resid  63 and name   HE#) (resid  94 and name   HG#)  3.50 1.70 4.70
assign (resid  63 and name   HE#) (resid  97 and name    HN)  3.50 1.70 2.90
assign (resid  63 and name   HE#) (resid  96 and name    HA)  2.50 0.70 2.90
assign (resid  63 and name   HE#) (resid  96 and name   HD#)  3.50 1.70 4.70
! TRP_64  
assign (resid  64 and name    HN) (resid  45 and name    HN)  3.50 1.70 0.50
assign (resid  64 and name    HN) (resid  45 and name   HD#)  4.50 2.70 2.90
assign (resid  64 and name    HN) (resid  46 and name    HA)  4.50 2.70 0.50
assign (resid  64 and name    HN) (resid  63 and name    HA)  2.50 0.70 0.50
assign (resid  64 and name    HN) (resid  63 and name   HB2)  3.50 1.70 0.50
assign (resid  64 and name    HN) (resid  63 and name   HB1)  4.50 2.70 0.50
assign (resid  64 and name    HN) (resid  64 and name   HE3)  5.50 3.70 0.50
assign (resid  64 and name    HN) (resid  65 and name  HD2#)  4.50 2.70 1.50
assign (resid  64 and name    HN) (resid  77 and name   HB#)  4.50 2.70 1.50
assign (resid  64 and name    HN) (resid 106 and name    HZ)  4.50 2.70 0.50
assign (resid  64 and name    HA) (resid  65 and name   HB2)  4.50 2.70 0.50
assign (resid  64 and name    HA) (resid  65 and name    HG)  4.50 2.70 0.50
assign (resid  64 and name    HA) (resid  97 and name   HB2)  3.50 1.70 0.50
assign (resid  64 and name    HA) (resid  98 and name    HA)  4.50 2.70 0.50
assign (resid  64 and name    HA) (resid 106 and name   HE#)  3.50 1.70 2.90
assign (resid  64 and name   HB2) (resid  65 and name    HA)  5.50 3.70 0.50
assign (resid  64 and name   HB2) (resid 106 and name   HE#)  3.50 1.70 2.90
assign (resid  64 and name   HB2) (resid 106 and name    HZ)  3.50 1.70 0.50
assign (resid  64 and name   HB1) (resid 106 and name    HZ)  3.50 1.70 0.50
assign (resid  64 and name   HD1) (resid  97 and name    HN)  4.50 2.70 0.50
assign (resid  64 and name   HD1) (resid  97 and name   HB2)  3.50 1.70 0.50
assign (resid  64 and name   HD1) (resid  97 and name   HB1)  2.50 0.70 0.50
assign (resid  64 and name   HD1) (resid  98 and name    HN)  4.50 2.70 0.50
assign (resid  64 and name   HD1) (resid 102 and name    HA)  3.50 1.70 0.50
assign (resid  64 and name   HD1) (resid 106 and name   HD#)  2.50 0.70 2.90
assign (resid  64 and name   HD1) (resid 106 and name   HE#)  3.50 1.70 2.90
assign (resid  64 and name   HE1) (resid  97 and name   HB2)  3.50 1.70 2.30
assign (resid  64 and name   HE1) (resid  99 and name    HA)  4.50 2.70 0.50
assign (resid  64 and name   HH2) (resid  41 and name    HN)  4.50 2.70 0.50
assign (resid  64 and name   HH2) (resid  41 and name    HA)  2.50 0.70 0.50
assign (resid  64 and name   HH2) (resid  66 and name   HA#)  3.50 1.70 2.30
assign (resid  64 and name   HZ2) (resid  99 and name    HA)  2.50 0.70 0.50
assign (resid  64 and name   HZ2) (resid 116 and name   HE#)  2.50 0.70 2.90
assign (resid  64 and name   HZ3) (resid  45 and name   HD#)  2.50 0.70 2.90
assign (resid  64 and name   HZ3) (resid  45 and name   HE#)  2.50 0.70 2.90
assign (resid  64 and name   HZ3) (resid 116 and name   HD#)  4.50 2.70 2.90
! LEU_65  
assign (resid  65 and name    HN) (resid  64 and name    HA)  2.50 0.70 0.50
assign (resid  65 and name    HN) (resid  64 and name   HE3)  4.50 2.70 0.50
assign (resid  65 and name    HN) (resid  64 and name   HB2)  4.50 2.70 0.50
assign (resid  65 and name    HN) (resid  97 and name    HN)  4.50 2.70 0.50
assign (resid  65 and name    HN) (resid  97 and name   HB2)  4.50 2.70 0.50
assign (resid  65 and name    HN) (resid  98 and name    HA)  3.50 1.70 0.50
assign (resid  65 and name    HN) (resid  98 and name  HG1#)  4.50 2.70 1.50
assign (resid  65 and name    HN) (resid  98 and name  HG2#)  4.50 2.70 1.50
assign (resid  65 and name    HA) (resid  64 and name   HE3)  4.50 2.70 0.50
assign (resid  65 and name    HA) (resid  66 and name   HA#)  4.50 2.70 2.30
assign (resid  65 and name  HD1#) (resid  44 and name   HB1)  4.50 2.70 1.50
assign (resid  65 and name  HD1#) (resid  66 and name    HN)  4.50 2.70 1.50
assign (resid  65 and name  HD1#) (resid  67 and name   HE#)  3.50 1.70 3.30
assign (resid  65 and name  HD1#) (resid  74 and name   HB#)  2.50 0.70 3.30
assign (resid  65 and name  HD2#) (resid  74 and name    HA)  2.50 0.70 1.50
assign (resid  65 and name  HD2#) (resid  74 and name   HB#)  2.50 0.70 3.30
assign (resid  65 and name  HD2#) (resid  74 and name   HG#)  3.50 1.70 3.30
assign (resid  65 and name  HD2#) (resid  98 and name    HA)  4.50 2.70 1.50
! GLY_66  
assign (resid  66 and name    HN) (resid  43 and name    HA)  5.50 3.70 0.50
assign (resid  66 and name    HN) (resid  44 and name    HA)  4.50 2.70 0.50
assign (resid  66 and name    HN) (resid  65 and name    HA)  2.50 0.70 0.50
assign (resid  66 and name    HN) (resid  65 and name   HB2)  4.50 2.70 0.50
assign (resid  66 and name    HN) (resid  65 and name  HD2#)  3.50 1.70 1.50
assign (resid  66 and name    HN) (resid  67 and name    HN)  4.50 2.70 0.50
! LYS+_67  
assign (resid  67 and name    HN) (resid  66 and name   HA#)  3.50 1.70 2.30
assign (resid  67 and name    HN) (resid  67 and name   HB1)  2.50 0.70 0.50
assign (resid  67 and name    HN) (resid  68 and name    HN)  3.50 1.70 0.50
assign (resid  67 and name    HA) (resid  68 and name    HA)  4.50 2.70 0.50
! ASN_68  
assign (resid  68 and name    HN) (resid  67 and name    HA)  3.50 1.70 0.50
assign (resid  68 and name    HN) (resid  68 and name   HB2)  2.50 0.70 0.50
assign (resid  68 and name    HN) (resid  69 and name    HN)  2.50 0.70 0.50
! SER_69  
assign (resid  69 and name    HN) (resid  43 and name    HA)  2.50 0.70 0.50
assign (resid  69 and name    HN) (resid  67 and name    HA)  3.50 1.70 0.50
assign (resid  69 and name    HN) (resid  68 and name    HA)  3.50 1.70 0.50
! SER_70  
assign (resid  70 and name    HN) (resid  69 and name    HA)  2.50 0.70 0.50
assign (resid  70 and name    HN) (resid  69 and name   HB1)  3.50 1.70 2.30
assign (resid  70 and name    HN) (resid  70 and name    HA)  2.50 0.70 0.50
assign (resid  70 and name    HN) (resid  73 and name   HB#)  4.50 2.70 2.30
! GLN_71  
assign (resid  71 and name    HN) (resid  70 and name    HA)  2.50 0.70 0.50
assign (resid  71 and name    HN) (resid  70 and name   HB1)  3.50 1.70 0.50
assign (resid  71 and name    HN) (resid  70 and name   HB2)  4.50 2.70 0.50
assign (resid  71 and name    HN) (resid  72 and name    HN)  2.50 0.70 0.50
! ASP-_72  
assign (resid  72 and name    HN) (resid  71 and name    HA)  3.50 1.70 0.50
assign (resid  72 and name    HN) (resid  71 and name   HB#)  2.50 0.70 2.30
assign (resid  72 and name    HN) (resid  72 and name    HA)  2.50 0.70 0.50
assign (resid  72 and name    HN) (resid  73 and name    HN)  2.50 0.70 0.50
! GLU_73  
assign (resid  73 and name    HN) (resid  72 and name    HA)  4.50 2.70 0.50
assign (resid  73 and name    HN) (resid  72 and name   HB2)  2.50 0.70 2.30
assign (resid  73 and name    HN) (resid  72 and name   HB1)  2.50 0.70 2.30
assign (resid  73 and name    HN) (resid  74 and name    HN)  3.50 1.70 0.50
assign (resid  73 and name    HA) (resid  23 and name  HG2#)  3.50 1.70 1.50
! GLN_74  
assign (resid  74 and name    HN) (resid  71 and name    HA)  3.50 1.70 0.50
assign (resid  74 and name    HN) (resid  73 and name   HB#)  3.50 1.70 2.30
assign (resid  74 and name    HN) (resid  75 and name    HN)  2.50 0.70 0.50
assign (resid  74 and name    HA) (resid  77 and name   HB#)  3.50 1.70 1.50
! GLY_75  
assign (resid  75 and name    HN) (resid  72 and name    HA)  2.50 0.70 0.50
assign (resid  75 and name    HN) (resid  74 and name    HA)  4.50 2.70 0.50
assign (resid  75 and name    HN) (resid  74 and name   HB#)  2.50 0.70 2.30
assign (resid  75 and name    HN) (resid  76 and name    HN)  2.50 0.70 0.50
assign (resid  75 and name    HN) (resid  76 and name   HB#)  4.50 2.70 1.50
! ALA_76  
assign (resid  76 and name    HN) (resid  73 and name    HA)  2.50 0.70 0.50
assign (resid  76 and name    HN) (resid  76 and name   HB#)  2.50 0.70 1.50
assign (resid  76 and name    HN) (resid  75 and name   HA#)  3.50 1.70 2.30
assign (resid  76 and name    HN) (resid  79 and name    HB)  4.50 2.70 0.50
assign (resid  76 and name    HN) (resid  79 and name  HD1#)  4.50 2.70 1.50
assign (resid  76 and name    HA) (resid  79 and name  HD1#)  3.50 1.70 1.50
assign (resid  76 and name   HB#) (resid  80 and name   HD#)  2.50 0.70 3.90
assign (resid  76 and name   HB#) (resid  80 and name   HE#)  3.50 1.70 3.90
! ALA_77  
assign (resid  77 and name    HN) (resid  23 and name  HD1#)  4.50 2.70 1.50
assign (resid  77 and name    HN) (resid  73 and name    HA)  3.50 1.70 0.50
assign (resid  77 and name    HN) (resid  74 and name    HA)  3.50 1.70 0.50
assign (resid  77 and name    HN) (resid  76 and name    HN)  2.50 0.70 0.50
assign (resid  77 and name    HN) (resid  76 and name    HA)  4.50 2.70 0.50
assign (resid  77 and name    HN) (resid  76 and name   HB#)  2.50 0.70 1.50
assign (resid  77 and name    HN) (resid  77 and name   HB#)  2.50 0.70 1.50
assign (resid  77 and name    HN) (resid  78 and name    HN)  2.50 0.70 0.50
assign (resid  77 and name    HN) (resid  80 and name   HD#)  4.50 2.70 2.90
assign (resid  77 and name    HN) (resid  80 and name   HE#)  4.50 2.70 2.90
assign (resid  77 and name    HA) (resid  23 and name  HD1#)  2.50 0.70 1.50
assign (resid  77 and name    HA) (resid  46 and name  HG2#)  2.50 0.70 1.50
assign (resid  77 and name    HA) (resid  76 and name   HB#)  3.50 1.70 1.50
assign (resid  77 and name    HA) (resid  80 and name    HN)  3.50 1.70 0.50
assign (resid  77 and name    HA) (resid  80 and name   HD#)  2.50 0.70 2.90
assign (resid  77 and name   HB#) (resid  44 and name    HA)  4.50 2.70 1.50
assign (resid  77 and name   HB#) (resid  45 and name    HN)  3.50 1.70 1.50
assign (resid  77 and name   HB#) (resid  63 and name   HB1)  3.50 1.70 1.50
assign (resid  77 and name   HB#) (resid  78 and name   HB#)  2.50 0.70 3.50
assign (resid  77 and name   HB#) (resid  76 and name    HN)  4.50 2.70 1.50
! ALA_78  
assign (resid  78 and name    HN) (resid  75 and name   HA#)  2.50 0.70 2.30
assign (resid  78 and name    HN) (resid  77 and name   HB#)  2.50 0.70 1.50
assign (resid  78 and name    HN) (resid  78 and name   HB#)  2.50 0.70 1.50
assign (resid  78 and name    HN) (resid  79 and name    HN)  2.50 0.70 0.50
assign (resid  78 and name    HA) (resid  81 and name    HB)  2.50 0.70 0.50
assign (resid  78 and name   HB#) (resid  79 and name    HA)  4.50 2.70 1.50
! ILE_79  
assign (resid  79 and name    HN) (resid  76 and name    HA)  3.50 1.70 0.50
assign (resid  79 and name    HN) (resid  78 and name    HA)  4.50 2.70 0.50
assign (resid  79 and name    HN) (resid  81 and name    HN)  4.50 2.70 0.50
assign (resid  79 and name    HA) (resid  82 and name    HB)  2.50 0.70 0.50
assign (resid  79 and name    HA) (resid  82 and name  HG2#)  3.50 1.70 1.50
! TYR_80  
assign (resid  80 and name    HN) (resid  76 and name    HA)  3.50 1.70 0.50
assign (resid  80 and name    HN) (resid  79 and name    HN)  2.50 0.70 0.50
assign (resid  80 and name    HN) (resid  79 and name    HA)  4.50 2.70 0.50
assign (resid  80 and name    HN) (resid  79 and name    HB)  3.50 1.70 0.50
assign (resid  80 and name    HN) (resid  79 and name  HD1#)  4.50 2.70 1.50
assign (resid  80 and name    HN) (resid  79 and name  HG1#)  3.50 1.70 2.30
assign (resid  80 and name    HN) (resid  79 and name  HG2#)  2.50 0.70 1.50
assign (resid  80 and name    HN) (resid  81 and name    HN)  3.50 1.70 0.50
assign (resid  80 and name   HD#) (resid  23 and name  HD1#)  2.50 0.70 3.90
! THR_81  
assign (resid  81 and name    HN) (resid  46 and name  HG1#)  4.50 2.70 1.50
assign (resid  81 and name    HN) (resid  46 and name  HG2#)  3.50 1.70 1.50
assign (resid  81 and name    HN) (resid  78 and name    HA)  3.50 1.70 0.50
assign (resid  81 and name    HN) (resid  80 and name   HB2)  4.50 2.70 0.50
assign (resid  81 and name    HN) (resid  80 and name   HD#)  3.50 1.70 2.90
assign (resid  81 and name    HN) (resid  81 and name    HB)  2.50 0.70 0.50
assign (resid  81 and name    HN) (resid  82 and name    HN)  2.50 0.70 0.50
assign (resid  81 and name    HN) (resid  82 and name    HB)  4.50 2.70 0.50
assign (resid  81 and name  HG2#) (resid  61 and name    HB)  2.50 0.70 1.50
assign (resid  81 and name  HG2#) (resid  63 and name   HB1)  2.50 0.70 1.50
assign (resid  81 and name  HG2#) (resid  85 and name   HB#)  2.50 0.70 3.30
assign (resid  81 and name  HG2#) (resid  94 and name    HA)  3.50 1.70 1.50
assign (resid  81 and name  HG2#) (resid  94 and name   HB#)  2.50 0.70 3.30
assign (resid  81 and name  HG2#) (resid  94 and name   HG#)  2.50 0.70 3.30
! THR_82  
assign (resid  82 and name    HN) (resid  78 and name    HA)  4.50 2.70 0.50
assign (resid  82 and name    HN) (resid  79 and name    HA)  3.50 1.70 0.50
assign (resid  82 and name    HN) (resid  81 and name    HB)  2.50 0.70 0.50
assign (resid  82 and name    HN) (resid  82 and name    HB)  2.50 0.70 0.50
assign (resid  82 and name    HN) (resid  83 and name    HN)  3.50 1.70 0.50
assign (resid  82 and name    HN) (resid  84 and name    HN)  3.50 1.70 0.50
assign (resid  82 and name    HA) (resid  85 and name   HB#)  2.50 0.70 2.30
assign (resid  82 and name    HB) (resid  79 and name  HG2#)  3.50 1.70 1.50
assign (resid  82 and name    HB) (resid  85 and name   HB#)  4.50 2.70 2.30
assign (resid  82 and name  HG2#) (resid  79 and name  HG2#)  3.50 1.70 2.50
assign (resid  82 and name  HG2#) (resid  86 and name   HG#)  3.50 1.70 3.30
! GLN_83  
assign (resid  83 and name    HN) (resid  79 and name    HA)  4.50 2.70 0.50
assign (resid  83 and name    HN) (resid  79 and name  HG2#)  4.50 2.70 1.50
assign (resid  83 and name    HN) (resid  80 and name    HA)  3.50 1.70 0.50
assign (resid  83 and name    HN) (resid  82 and name    HB)  3.50 1.70 0.50
assign (resid  83 and name    HN) (resid  82 and name  HG2#)  3.50 1.70 1.50
assign (resid  83 and name    HN) (resid  84 and name    HN)  2.50 0.70 0.50
assign (resid  83 and name   HG#) (resid  87 and name   HE#)  4.50 2.70 4.70
! MET_84  
assign (resid  84 and name    HN) (resid   8 and name  HG2#)  4.50 2.70 1.50
assign (resid  84 and name    HN) (resid  83 and name    HA)  4.50 2.70 0.50
assign (resid  84 and name    HN) (resid  84 and name   HB#)  2.50 0.70 2.30
assign (resid  84 and name    HN) (resid  85 and name    HN)  3.50 1.70 0.50
assign (resid  84 and name    HA) (resid   8 and name  HG2#)  2.50 0.70 1.50
assign (resid  84 and name    HA) (resid  87 and name   HB#)  3.50 1.70 2.30
assign (resid  84 and name    HA) (resid  88 and name  HD1#)  3.50 1.70 1.50
assign (resid  84 and name    HA) (resid  88 and name  HD2#)  4.50 2.70 1.50
assign (resid  84 and name   HB#) (resid  87 and name   HB#)  3.50 1.70 4.10
! ASP-_85  
assign (resid  85 and name    HN) (resid  61 and name  HD1#)  3.50 1.70 1.50
assign (resid  85 and name    HN) (resid  81 and name  HG2#)  4.50 2.70 1.50
assign (resid  85 and name    HN) (resid  82 and name    HA)  3.50 1.70 0.50
assign (resid  85 and name    HN) (resid  84 and name    HA)  4.50 2.70 0.50
assign (resid  85 and name    HN) (resid  84 and name   HB#)  2.50 0.70 2.30
assign (resid  85 and name    HN) (resid  86 and name    HN)  3.50 1.70 0.50
assign (resid  85 and name    HA) (resid  88 and name  HD1#)  2.50 0.70 1.50
assign (resid  85 and name    HA) (resid  92 and name   HB#)  2.50 0.70 1.50
! GLU_86  
assign (resid  86 and name    HN) (resid  85 and name   HB#)  3.50 1.70 2.30
assign (resid  86 and name    HN) (resid  86 and name    HA)  2.50 0.70 0.50
assign (resid  86 and name    HN) (resid  86 and name   HB#)  2.50 0.70 2.30
assign (resid  86 and name   HB#) (resid  87 and name    HN)  3.50 1.70 2.30
! TYR_87  
assign (resid  87 and name    HN) (resid  84 and name    HA)  3.50 1.70 0.50
assign (resid  87 and name    HN) (resid  86 and name    HN)  2.50 0.70 0.50
assign (resid  87 and name    HN) (resid  86 and name    HA)  3.50 1.70 0.50
assign (resid  87 and name    HN) (resid  87 and name   HD#)  3.50 1.70 2.90
assign (resid  87 and name    HN) (resid  87 and name   HE#)  4.50 2.70 2.90
assign (resid  87 and name    HN) (resid  88 and name    HN)  3.50 1.70 0.50
assign (resid  87 and name   HB#) (resid   8 and name  HG2#)  3.50 1.70 3.30
assign (resid  87 and name   HB#) (resid  88 and name  HD1#)  3.50 1.70 3.30
assign (resid  87 and name   HB#) (resid  88 and name  HD2#)  3.50 1.70 3.30
assign (resid  87 and name   HD#) (resid  11 and name  HD1#)  2.50 0.70 5.70
assign (resid  87 and name   HD#) (resid  11 and name  HD2#)  2.50 0.70 5.70
! LEU_88  
assign (resid  88 and name    HN) (resid  85 and name    HA)  3.50 1.70 0.50
assign (resid  88 and name    HN) (resid  87 and name   HB#)  3.50 1.70 2.30
assign (resid  88 and name    HN) (resid  87 and name   HD#)  3.50 1.70 2.90
assign (resid  88 and name  HD1#) (resid  59 and name   HB2)  3.50 1.70 1.50
assign (resid  88 and name  HD1#) (resid  84 and name   HB#)  4.50 2.70 3.30
assign (resid  88 and name  HD1#) (resid  84 and name   HG#)  3.50 1.70 3.30
assign (resid  88 and name  HD1#) (resid  92 and name    HA)  4.50 2.70 1.50
assign (resid  88 and name  HD2#) (resid  11 and name  HD1#)  2.50 0.70 4.30
assign (resid  88 and name  HD2#) (resid  11 and name  HD2#)  2.50 0.70 4.30
assign (resid  88 and name  HD2#) (resid  92 and name   HB#)  3.50 1.70 2.50
! GLY_89  
assign (resid  89 and name    HN) (resid  88 and name    HN)  3.50 1.70 0.50
assign (resid  89 and name    HN) (resid  88 and name   HB2)  3.50 1.70 0.50
! SER_90  
assign (resid  90 and name    HN) (resid  89 and name    HN)  2.50 0.70 0.50
assign (resid  90 and name    HN) (resid  90 and name    HA)  2.50 0.70 0.50
assign (resid  90 and name    HN) (resid  91 and name    HN)  3.50 1.70 0.50
! VAL_91  
assign (resid  91 and name    HN) (resid  90 and name    HA)  3.50 1.70 0.50
assign (resid  91 and name    HN) (resid  92 and name    HN)  2.50 0.70 0.50
assign (resid  91 and name    HN) (resid  92 and name   HB#)  3.50 1.70 1.50
assign (resid  91 and name  HG2#) (resid  59 and name   HD#)  2.50 0.70 3.90
assign (resid  91 and name  HG2#) (resid  59 and name   HE#)  2.50 0.70 3.90
! ALA_92  
assign (resid  92 and name    HN) (resid  90 and name    HA)  3.50 1.70 0.50
assign (resid  92 and name    HN) (resid  91 and name    HA)  3.50 1.70 0.50
assign (resid  92 and name    HN) (resid  91 and name    HB)  4.50 2.70 0.50
assign (resid  92 and name    HN) (resid  91 and name  HG1#)  3.50 1.70 1.50
assign (resid  92 and name    HN) (resid  92 and name   HB#)  2.50 0.70 1.50
assign (resid  92 and name   HB#) (resid  60 and name    HA)  3.50 1.70 1.50
! VAL_93  
assign (resid  93 and name    HN) (resid  60 and name    HA)  4.50 2.70 0.50
assign (resid  93 and name    HN) (resid  61 and name    HN)  4.50 2.70 0.50
assign (resid  93 and name    HN) (resid  92 and name    HA)  2.50 0.70 0.50
assign (resid  93 and name    HN) (resid  92 and name   HB#)  3.50 1.70 1.50
assign (resid  93 and name    HN) (resid  93 and name    HB)  2.50 0.70 0.50
assign (resid  93 and name    HA) (resid  94 and name    HA)  4.50 2.70 0.50
assign (resid  93 and name    HB) (resid  95 and name   HE1)  3.50 1.70 0.50
assign (resid  93 and name  HG2#) (resid  92 and name    HA)  2.50 0.70 1.50
assign (resid  93 and name  HG2#) (resid  95 and name   HE1)  2.50 0.70 1.50
assign (resid  93 and name  HG1#) (resid  94 and name   HG#)  4.50 2.70 3.30
assign (resid  93 and name  HG1#) (resid  95 and name   HE1)  2.50 0.70 1.50
! GLN_94  
assign (resid  94 and name    HN) (resid  93 and name    HA)  2.50 0.70 0.50
assign (resid  94 and name    HN) (resid  93 and name  HG1#)  2.50 0.70 1.50
assign (resid  94 and name    HN) (resid  93 and name  HG2#)  3.50 1.70 1.50
assign (resid  94 and name    HA) (resid  61 and name    HB)  2.50 0.70 0.50
assign (resid  94 and name    HA) (resid  93 and name  HG1#)  3.50 1.70 1.50
! HIS+_95  
assign (resid  95 and name    HN) (resid  62 and name    HA)  3.50 1.70 0.50
assign (resid  95 and name    HN) (resid  63 and name    HN)  4.50 2.70 0.50
assign (resid  95 and name    HN) (resid  81 and name  HG2#)  3.50 1.70 1.50
assign (resid  95 and name    HN) (resid  94 and name    HA)  2.50 0.70 0.50
assign (resid  95 and name    HN) (resid  94 and name   HB#)  3.50 1.70 2.30
assign (resid  95 and name    HN) (resid  95 and name   HB2)  2.50 0.70 0.50
assign (resid  95 and name    HN) (resid  95 and name   HD2)  3.50 1.70 0.50
assign (resid  95 and name   HB1) (resid  62 and name    HA)  3.50 1.70 0.50
assign (resid  95 and name   HD2) (resid  60 and name    HA)  3.50 1.70 0.50
assign (resid  95 and name   HD2) (resid  61 and name    HN)  3.50 1.70 0.50
assign (resid  95 and name   HD2) (resid  62 and name    HA)  3.50 1.70 0.50
assign (resid  95 and name   HD2) (resid  94 and name    HA)  3.50 1.70 0.50
! ARG+_96  
assign (resid  96 and name    HN) (resid  95 and name    HA)  3.50 1.70 0.50
assign (resid  96 and name    HA) (resid  97 and name    HA)  4.50 2.70 0.50
assign (resid  96 and name    HA) (resid  98 and name  HG2#)  4.50 2.70 1.50
! GLU_97  
assign (resid  97 and name    HN) (resid  63 and name    HN)  3.50 1.70 0.50
assign (resid  97 and name    HN) (resid  64 and name    HA)  3.50 1.70 0.50
assign (resid  97 and name    HN) (resid  96 and name    HA)  2.50 0.70 0.50
assign (resid  97 and name    HN) (resid  96 and name   HB#)  3.50 1.70 2.30
assign (resid  97 and name    HN) (resid  96 and name   HG#)  3.50 1.70 2.30
assign (resid  97 and name    HN) (resid  98 and name    HN)  4.50 2.70 0.50
assign (resid  97 and name    HA) (resid  98 and name    HA)  4.50 2.70 0.50
assign (resid  97 and name    HA) (resid 102 and name    HA)  3.50 1.70 0.50
assign (resid  97 and name    HA) (resid 106 and name   HD#)  4.50 2.70 2.90
assign (resid  97 and name   HB1) (resid 101 and name   HB2)  3.50 1.70 0.50
! VAL_98  
assign (resid  98 and name    HN) (resid  97 and name    HA)  2.50 0.70 0.50
assign (resid  98 and name    HN) (resid  98 and name    HB)  2.50 0.70 0.50
assign (resid  98 and name    HN) (resid 101 and name   HB1)  4.50 2.70 0.50
assign (resid  98 and name    HN) (resid 101 and name   HB2)  4.50 2.70 0.50
assign (resid  98 and name    HA) (resid  66 and name    HN)  3.50 1.70 0.50
assign (resid  98 and name    HB) (resid 101 and name   HB2)  2.50 0.70 0.50
assign (resid  98 and name    HB) (resid 101 and name   HB1)  3.50 1.70 0.50
assign (resid  98 and name  HG1#) (resid 101 and name   HB2)  3.50 1.70 1.50
assign (resid  98 and name  HG1#) (resid 101 and name   HB1)  4.50 2.70 1.50
assign (resid  98 and name  HG1#) (resid 101 and name   HD2)  2.50 0.70 1.50
assign (resid  98 and name  HG2#) (resid  97 and name    HA)  3.50 1.70 1.50
assign (resid  98 and name  HG2#) (resid 101 and name   HB2)  3.50 1.70 1.50
assign (resid  98 and name  HG2#) (resid 101 and name   HB1)  4.50 2.70 1.50
assign (resid  98 and name  HG2#) (resid 101 and name   HD2)  2.50 0.70 1.50
! GLN_99  
assign (resid  99 and name    HN) (resid  65 and name    HN)  4.50 2.70 0.50
assign (resid  99 and name    HN) (resid  67 and name    HN)  4.50 2.70 0.50
assign (resid  99 and name    HN) (resid  98 and name    HA)  2.50 0.70 0.50
assign (resid  99 and name    HN) (resid  98 and name    HB)  2.50 0.70 0.50
assign (resid  99 and name    HN) (resid  98 and name  HG1#)  2.50 0.70 1.50
assign (resid  99 and name    HN) (resid  98 and name  HG2#)  3.50 1.70 1.50
! GLY_100  
assign (resid 100 and name    HN) (resid  99 and name    HA)  2.50 0.70 0.50
assign (resid 100 and name    HN) (resid  98 and name    HB)  3.50 1.70 0.50
! HIS+_101  
assign (resid 101 and name    HN) (resid  98 and name    HN)  4.50 2.70 0.50
assign (resid 101 and name    HN) (resid  98 and name    HB)  4.50 2.70 0.50
assign (resid 101 and name    HN) (resid  98 and name  HG1#)  4.50 2.70 1.50
assign (resid 101 and name    HN) (resid  99 and name    HA)  4.50 2.70 0.50
assign (resid 101 and name    HN) (resid 100 and name    HN)  3.50 1.70 0.50
assign (resid 101 and name    HN) (resid 100 and name   HA#)  4.50 2.70 2.30
assign (resid 101 and name    HN) (resid 101 and name   HB2)  2.50 0.70 0.50
assign (resid 101 and name    HN) (resid 102 and name    HN)  2.50 0.70 0.50
! GLU_102  
assign (resid 102 and name    HN) (resid 101 and name    HA)  3.50 1.70 0.50
! SER_103  
assign (resid 103 and name    HN) (resid 102 and name    HA)  2.50 0.70 0.50
assign (resid 103 and name    HN) (resid 104 and name    HN)  4.50 2.70 0.50
assign (resid 103 and name    HN) (resid 104 and name   HG#)  4.50 2.70 2.30
assign (resid 103 and name    HN) (resid 102 and name   HB#)  4.50 2.70 2.30
! GLU_104  
assign (resid 104 and name    HN) (resid 103 and name    HA)  4.50 2.70 0.50
assign (resid 104 and name    HN) (resid 103 and name   HB1)  4.50 2.70 0.50
assign (resid 104 and name   HG#) (resid 108 and name   HB#)  3.50 1.70 3.30
! THR_105  
assign (resid 105 and name    HN) (resid 102 and name    HA)  4.50 2.70 0.50
assign (resid 105 and name    HN) (resid 104 and name    HN)  2.50 0.70 0.50
assign (resid 105 and name    HN) (resid 104 and name    HA)  3.50 1.70 0.50
assign (resid 105 and name    HN) (resid 104 and name   HB#)  2.50 0.70 2.30
assign (resid 105 and name    HN) (resid 104 and name   HG#)  4.50 2.70 2.30
assign (resid 105 and name    HN) (resid 105 and name    HB)  2.50 0.70 0.50
assign (resid 105 and name    HA) (resid 107 and name    HN)  4.50 2.70 0.50
assign (resid 105 and name    HA) (resid 108 and name    HA)  4.50 2.70 0.50
assign (resid 105 and name    HA) (resid 108 and name   HB#)  2.50 0.70 1.50
assign (resid 105 and name    HA) (resid 109 and name   HD#)  4.50 2.70 2.90
assign (resid 105 and name    HA) (resid 109 and name   HE#)  4.50 2.70 2.90
assign (resid 105 and name    HB) (resid 106 and name   HB2)  3.50 1.70 0.50
assign (resid 105 and name    HB) (resid 109 and name   HE#)  4.50 2.70 2.90
assign (resid 105 and name  HG2#) (resid 109 and name   HD#)  4.50 2.70 3.90
assign (resid 105 and name  HG2#) (resid 109 and name   HE#)  2.50 0.70 3.90
! PHE_106  
assign (resid 106 and name    HN) (resid 105 and name    HN)  2.50 0.70 0.50
assign (resid 106 and name    HN) (resid 105 and name    HA)  4.50 2.70 0.50
assign (resid 106 and name    HN) (resid 105 and name    HB)  3.50 1.70 0.50
assign (resid 106 and name    HN) (resid 105 and name  HG2#)  4.50 2.70 1.50
assign (resid 106 and name    HN) (resid 107 and name   HB#)  4.50 2.70 2.30
assign (resid 106 and name    HA) (resid 109 and name   HD#)  2.50 0.70 2.90
assign (resid 106 and name    HA) (resid 109 and name   HE#)  2.50 0.70 2.90
assign (resid 106 and name   HD#) (resid 109 and name   HD#)  2.50 0.70 5.30
assign (resid 106 and name   HD#) (resid 109 and name   HE#)  2.50 0.70 5.30
assign (resid 106 and name   HD#) (resid 110 and name   HD#)  4.50 2.70 5.30
assign (resid 106 and name   HD#) (resid 114 and name  HD1#)  2.50 0.70 3.90
assign (resid 106 and name   HD#) (resid 114 and name  HD2#)  2.50 0.70 3.90
assign (resid 106 and name   HE#) (resid 109 and name   HD#)  3.50 1.70 5.30
assign (resid 106 and name   HE#) (resid 110 and name   HE#)  3.50 1.70 5.30
assign (resid 106 and name    HZ) (resid 110 and name    HZ)  4.50 2.70 0.50
! ARG+_107  
assign (resid 107 and name    HN) (resid 104 and name    HA)  4.50 2.70 0.50
assign (resid 107 and name    HN) (resid 106 and name    HN)  2.50 0.70 0.50
assign (resid 107 and name    HN) (resid 106 and name    HA)  3.50 1.70 0.50
assign (resid 107 and name    HN) (resid 106 and name   HB2)  3.50 1.70 0.50
assign (resid 107 and name    HN) (resid 106 and name   HB1)  3.50 1.70 0.50
assign (resid 107 and name    HN) (resid 106 and name   HD#)  3.50 1.70 2.90
assign (resid 107 and name    HN) (resid 107 and name   HB#)  2.50 0.70 2.30
assign (resid 107 and name    HN) (resid 108 and name    HN)  2.50 0.70 0.50
assign (resid 107 and name    HN) (resid 108 and name   HB#)  4.50 2.70 1.50
assign (resid 107 and name    HN) (resid 109 and name    HN)  4.50 2.70 0.50
assign (resid 107 and name    HN) (resid 114 and name  HD1#)  3.50 1.70 1.50
assign (resid 107 and name    HN) (resid 114 and name  HD2#)  4.50 2.70 1.50
assign (resid 107 and name    HA) (resid 110 and name   HD#)  2.50 0.70 2.90
assign (resid 107 and name    HA) (resid 110 and name   HE#)  4.50 2.70 2.90
assign (resid 107 and name    HA) (resid 114 and name  HD2#)  2.50 0.70 1.50
assign (resid 107 and name   HD#) (resid 114 and name  HD1#)  3.50 1.70 3.30
assign (resid 107 and name   HD#) (resid 114 and name  HD2#)  4.50 2.70 3.30
! ALA_108  
assign (resid 108 and name    HN) (resid 105 and name    HA)  4.50 2.70 0.50
assign (resid 108 and name    HN) (resid 107 and name    HA)  3.50 1.70 0.50
assign (resid 108 and name    HN) (resid 107 and name   HB#)  3.50 1.70 2.30
assign (resid 108 and name    HN) (resid 107 and name   HG#)  4.50 2.70 2.30
assign (resid 108 and name    HN) (resid 108 and name   HB#)  2.50 0.70 1.50
assign (resid 108 and name    HN) (resid 109 and name    HN)  2.50 0.70 0.50
assign (resid 108 and name    HN) (resid 109 and name   HD#)  4.50 2.70 2.90
assign (resid 108 and name    HN) (resid 110 and name   HD#)  4.50 2.70 2.90
assign (resid 108 and name   HB#) (resid 109 and name   HD#)  3.50 1.70 3.90
! TYR_109  
assign (resid 109 and name    HN) (resid 108 and name   HB#)  2.50 0.70 1.50
assign (resid 109 and name    HN) (resid 109 and name    HA)  2.50 0.70 0.50
assign (resid 109 and name    HN) (resid 109 and name   HB2)  2.50 0.70 0.50
assign (resid 109 and name    HN) (resid 109 and name   HD#)  2.50 0.70 2.90
assign (resid 109 and name    HN) (resid 109 and name   HE#)  4.50 2.70 2.90
assign (resid 109 and name    HN) (resid 110 and name    HN)  2.50 0.70 0.50
assign (resid 109 and name    HN) (resid 110 and name    HA)  5.50 3.70 0.50
assign (resid 109 and name    HN) (resid 110 and name   HD#)  3.50 1.70 2.90
assign (resid 109 and name   HB2) (resid 110 and name   HD#)  3.50 1.70 2.90
assign (resid 109 and name   HB2) (resid 110 and name   HE#)  3.50 1.70 2.90
assign (resid 109 and name   HB1) (resid 110 and name   HD#)  3.50 1.70 2.90
assign (resid 109 and name   HB1) (resid 110 and name   HE#)  3.50 1.70 2.90
assign (resid 109 and name   HD#) (resid 110 and name    HN)  3.50 1.70 2.90
assign (resid 109 and name   HD#) (resid 110 and name   HD#)  3.50 1.70 5.30
! PHE_110  
assign (resid 110 and name    HN) (resid 107 and name    HA)  4.50 2.70 0.50
assign (resid 110 and name    HN) (resid 108 and name    HN)  4.50 2.70 0.50
assign (resid 110 and name    HN) (resid 108 and name    HA)  3.50 1.70 0.50
assign (resid 110 and name    HN) (resid 109 and name   HB2)  3.50 1.70 0.50
assign (resid 110 and name    HN) (resid 109 and name   HB1)  4.50 2.70 0.50
assign (resid 110 and name    HN) (resid 110 and name   HB2)  2.50 0.70 0.50
assign (resid 110 and name    HN) (resid 110 and name   HD#)  2.50 0.70 2.90
assign (resid 110 and name    HN) (resid 110 and name   HE#)  4.50 2.70 2.90
assign (resid 110 and name    HN) (resid 111 and name    HN)  3.50 1.70 0.50
assign (resid 110 and name   HE#) (resid 106 and name   HD#)  4.50 2.70 5.30
assign (resid 110 and name   HE#) (resid 109 and name   HD#)  4.50 2.70 5.30
! LYS+_111  
assign (resid 111 and name    HN) (resid 110 and name    HA)  2.50 0.70 0.50
assign (resid 111 and name    HN) (resid 110 and name   HB2)  4.50 2.70 0.50
assign (resid 111 and name    HN) (resid 110 and name   HB1)  3.50 1.70 0.50
assign (resid 111 and name    HN) (resid 110 and name   HD#)  3.50 1.70 2.90
assign (resid 111 and name    HA) (resid 107 and name   HD#)  4.50 2.70 2.30
! GLN_112  
assign (resid 112 and name    HN) (resid 110 and name    HA)  4.50 2.70 0.50
assign (resid 112 and name    HN) (resid 110 and name   HB1)  4.50 2.70 0.50
assign (resid 112 and name    HN) (resid 111 and name    HN)  4.50 2.70 0.50
assign (resid 112 and name    HN) (resid 111 and name    HA)  3.50 1.70 0.50
assign (resid 112 and name    HN) (resid 111 and name   HB#)  3.50 1.70 2.30
assign (resid 112 and name    HN) (resid 113 and name    HN)  2.50 0.70 0.50
! GLY_113  
assign (resid 113 and name    HN) (resid 110 and name   HB2)  4.50 2.70 0.50
assign (resid 113 and name    HN) (resid 110 and name   HB1)  3.50 1.70 0.50
assign (resid 113 and name    HN) (resid 112 and name    HA)  3.50 1.70 0.50
assign (resid 113 and name    HN) (resid 112 and name   HB#)  4.50 2.70 2.30
assign (resid 113 and name    HN) (resid 112 and name   HG#)  4.50 2.70 2.30
assign (resid 113 and name    HN) (resid 114 and name    HN)  3.50 1.70 0.50
! LEU_114  
assign (resid 114 and name    HN) (resid 113 and name   HA#)  2.50 0.70 2.30
assign (resid 114 and name   HB1) (resid 116 and name   HE#)  2.50 0.70 2.90
assign (resid 114 and name    HG) (resid 116 and name   HE#)  3.50 1.70 2.90
assign (resid 114 and name  HD1#) (resid  39 and name   HD#)  3.50 1.70 3.90
assign (resid 114 and name  HD1#) (resid  39 and name   HE#)  2.50 0.70 3.90
assign (resid 114 and name  HD1#) (resid  39 and name    HZ)  2.50 0.70 1.50
assign (resid 114 and name  HD1#) (resid 107 and name   HB#)  3.50 1.70 3.30
assign (resid 114 and name  HD1#) (resid 110 and name   HB2)  2.50 0.70 1.50
assign (resid 114 and name  HD1#) (resid 110 and name   HB1)  3.50 1.70 1.50
assign (resid 114 and name  HD2#) (resid  39 and name   HD#)  3.50 1.70 3.90
assign (resid 114 and name  HD2#) (resid  39 and name   HE#)  2.50 0.70 3.90
assign (resid 114 and name  HD2#) (resid  39 and name    HZ)  2.50 0.70 1.50
assign (resid 114 and name  HD2#) (resid 110 and name    HA)  4.50 2.70 1.50
assign (resid 114 and name  HD2#) (resid 110 and name   HB2)  2.50 0.70 1.50
assign (resid 114 and name  HD2#) (resid 110 and name   HB1)  3.50 1.70 1.50
assign (resid 114 and name  HD2#) (resid 110 and name   HD#)  2.50 0.70 3.90
assign (resid 114 and name  HD2#) (resid 110 and name   HE#)  2.50 0.70 3.90
assign (resid 114 and name  HD2#) (resid 116 and name   HD#)  4.50 2.70 3.90
! ILE_115  
assign (resid 115 and name    HN) (resid  38 and name    HA)  3.50 1.70 0.50
assign (resid 115 and name    HN) (resid 114 and name    HA)  2.50 0.70 0.50
assign (resid 115 and name    HN) (resid 114 and name  HD2#)  4.50 2.70 1.50
assign (resid 115 and name    HN) (resid 115 and name    HB)  2.50 0.70 0.50
assign (resid 115 and name    HA) (resid 116 and name    HA)  4.50 2.70 0.50
assign (resid 115 and name  HG2#) (resid 116 and name    HA)  4.50 2.70 1.50
assign (resid 115 and name  HG2#) (resid 117 and name    HA)  4.50 2.70 1.50
assign (resid 115 and name  HG2#) (resid 117 and name   HD#)  2.50 0.70 3.30
assign (resid 115 and name  HG2#) (resid 117 and name   HE#)  2.50 0.70 3.30
assign (resid 115 and name  HD1#) (resid  38 and name    HA)  3.50 1.70 1.50
assign (resid 115 and name  HD1#) (resid 117 and name    HA)  5.50 3.70 1.50
assign (resid 115 and name  HD1#) (resid 117 and name   HE#)  2.50 0.70 3.30
! TYR_116  
assign (resid 116 and name    HN) (resid 115 and name    HA)  2.50 0.70 0.50
assign (resid 116 and name    HN) (resid 115 and name  HG2#)  2.50 0.70 1.50
assign (resid 116 and name    HA) (resid 117 and name    HA)  4.50 2.70 0.50
assign (resid 116 and name   HE#) (resid 114 and name  HD1#)  2.50 0.70 3.90
assign (resid 116 and name   HE#) (resid 114 and name  HD2#)  4.50 2.70 3.90
! LYS+_117  
assign (resid 117 and name    HN) (resid  40 and name    HA)  4.50 2.70 0.50
assign (resid 117 and name    HN) (resid  41 and name    HN)  4.50 2.70 0.50
assign (resid 117 and name    HN) (resid 116 and name    HA)  2.50 0.70 0.50
assign (resid 117 and name    HN) (resid 116 and name   HB1)  4.50 2.70 0.50
assign (resid 117 and name    HN) (resid 116 and name   HD#)  3.50 1.70 2.90
assign (resid 117 and name    HA) (resid 118 and name   HG#)  4.50 2.70 2.30
! GLN_118  
assign (resid 118 and name    HN) (resid 117 and name    HA)  2.50 0.70 0.50
assign (resid 118 and name    HN) (resid 117 and name   HB2)  3.50 1.70 0.50
assign (resid 118 and name    HN) (resid 117 and name   HB1)  3.50 1.70 0.50
! GLY_119  
assign (resid 119 and name    HN) (resid 118 and name    HA)  2.50 0.70 0.50
assign (resid 119 and name    HN) (resid 118 and name   HB#)  3.50 1.70 2.30
assign (resid 119 and name    HN) (resid 118 and name   HG#)  3.50 1.70 2.30
! GLY_120  
assign (resid 120 and name    HN) (resid  26 and name   HG#)  3.50 1.70 2.30
assign (resid 120 and name    HN) (resid 119 and name    HN)  4.50 2.70 0.50
assign (resid 120 and name    HN) (resid 119 and name   HA#)  4.50 2.70 2.30
! VAL_121  
assign (resid 121 and name    HN) (resid 120 and name   HA#)  3.50 1.70 2.30
assign (resid 121 and name    HN) (resid 121 and name    HB)  2.50 0.70 0.50
assign (resid 121 and name    HN) (resid 122 and name    HN)  3.50 1.70 0.50
assign (resid 121 and name    HA) (resid 122 and name   HB#)  4.50 2.70 1.50
assign (resid 121 and name  HG1#) (resid  24 and name    HA)  3.50 1.70 3.30
assign (resid 121 and name  HG1#) (resid  24 and name   HB#)  2.50 0.70 5.10
assign (resid 121 and name  HG1#) (resid  24 and name   HG#)  2.50 0.70 5.10
assign (resid 121 and name  HG1#) (resid 122 and name   HB#)  3.50 1.70 2.50
assign (resid 121 and name  HG2#) (resid  24 and name    HA)  3.50 1.70 3.30
assign (resid 121 and name  HG2#) (resid  24 and name   HB#)  2.50 0.70 5.10
assign (resid 121 and name  HG2#) (resid  24 and name   HG#)  2.50 0.70 3.30
! ALA_122  
assign (resid 122 and name    HN) (resid 121 and name    HA)  2.50 0.70 0.50
assign (resid 122 and name    HN) (resid 121 and name    HB)  3.50 1.70 0.50
assign (resid 122 and name    HN) (resid 121 and name  HG1#)  2.50 0.70 3.30
assign (resid 122 and name    HN) (resid 121 and name  HG2#)  2.50 0.70 3.30
assign (resid 122 and name    HN) (resid 123 and name    HN)  2.50 0.70 1.00
! SER_123  
assign (resid 123 and name    HN) (resid 122 and name    HA)  3.50 1.70 0.50
assign (resid 123 and name    HN) (resid 122 and name   HB#)  2.50 0.70 1.50
assign (resid 123 and name    HN) (resid 123 and name    HA)  2.50 0.70 0.50
assign (resid 123 and name    HN) (resid 123 and name   HB#)  2.50 0.70 2.30
assign (resid 123 and name    HN) (resid 124 and name    HN)  2.50 0.70 0.50
assign (resid 123 and name    HA) (resid 122 and name   HB#)  4.50 2.70 1.50
! GLY_124  
assign (resid 124 and name    HN) (resid 122 and name    HA)  4.50 2.70 0.50
assign (resid 124 and name    HN) (resid 123 and name    HA)  3.50 1.70 0.50
assign (resid 124 and name    HN) (resid 125 and name    HN)  2.50 0.70 0.50
! MET_125  
assign (resid 125 and name    HN) (resid 124 and name   HA#)  3.50 1.70 2.30
! LY+C_126  
assign (resid 126 and name    HN) (resid 125 and name    HA)  3.50 1.70 0.50
assign (resid 126 and name    HN) (resid 125 and name   HB1)  2.50 0.70 0.50
!@ END_XPLR_NOE_FILE
START_OF_HB_DATA
! central sheet 
assign (resid  20 and name    HN) (resid  31 and name     O)  1.95 0.35 0.35
assign (resid  20 and name     N) (resid  31 and name     O)  2.90 0.40 0.40
assign (resid  21 and name    HN) (resid  46 and name     O)  1.95 0.35 0.35
assign (resid  21 and name     N) (resid  46 and name     O)  2.90 0.40 0.40
assign (resid  22 and name    HN) (resid  29 and name     O)  1.95 0.35 0.35
assign (resid  22 and name     N) (resid  29 and name     O)  2.90 0.40 0.40
assign (resid  29 and name    HN) (resid  22 and name     O)  1.95 0.35 0.35
assign (resid  29 and name     N) (resid  22 and name     O)  2.90 0.40 0.40
assign (resid  31 and name    HN) (resid  20 and name     O)  1.95 0.35 0.35
assign (resid  31 and name     N) (resid  20 and name     O)  2.90 0.40 0.40
assign (resid  43 and name    HN) (resid  66 and name     O)  1.95 0.35 0.35
assign (resid  43 and name     N) (resid  66 and name     O)  2.90 0.40 0.40
assign (resid  45 and name    HN) (resid  64 and name     O)  1.95 0.35 0.35
assign (resid  45 and name     N) (resid  64 and name     O)  2.90 0.40 0.40
assign (resid  46 and name    HN) (resid  21 and name     O)  1.95 0.35 0.35
assign (resid  46 and name     N) (resid  21 and name     O)  2.90 0.40 0.40
assign (resid  47 and name    HN) (resid  62 and name     O)  1.95 0.35 0.35
assign (resid  47 and name     N) (resid  62 and name     O)  2.90 0.40 0.40
assign (resid  48 and name    HN) (resid  19 and name     O)  1.95 0.35 0.35
assign (resid  48 and name     N) (resid  19 and name     O)  2.90 0.40 0.40
assign (resid  49 and name    HN) (resid  60 and name     O)  1.95 0.35 0.35
assign (resid  49 and name     N) (resid  60 and name     O)  2.90 0.40 0.40
assign (resid  50 and name    HN) (resid  17 and name     O)  1.95 0.35 0.35
assign (resid  50 and name     N) (resid  17 and name     O)  2.90 0.40 0.40
assign (resid  51 and name    HN) (resid  58 and name     O)  1.95 0.35 0.35
assign (resid  51 and name     N) (resid  58 and name     O)  2.90 0.40 0.40
assign (resid  58 and name    HN) (resid  51 and name     O)  1.95 0.35 0.35
assign (resid  58 and name     N) (resid  51 and name     O)  2.90 0.40 0.40
assign (resid  60 and name    HN) (resid  49 and name     O)  1.95 0.35 0.35
assign (resid  60 and name     N) (resid  49 and name     O)  2.90 0.40 0.40
assign (resid  61 and name    HN) (resid  93 and name     O)  1.95 0.35 0.35
assign (resid  61 and name     N) (resid  93 and name     O)  2.90 0.40 0.40
assign (resid  62 and name    HN) (resid  47 and name     O)  1.95 0.35 0.35
assign (resid  62 and name     N) (resid  47 and name     O)  2.90 0.40 0.40
assign (resid  63 and name    HN) (resid  95 and name     O)  1.95 0.35 0.35
assign (resid  63 and name     N) (resid  95 and name     O)  2.90 0.40 0.40
assign (resid  64 and name    HN) (resid  45 and name     O)  1.95 0.35 0.35
assign (resid  64 and name     N) (resid  45 and name     O)  2.90 0.40 0.40
assign (resid  65 and name    HN) (resid  97 and name     O)  1.95 0.35 0.35
assign (resid  65 and name     N) (resid  97 and name     O)  2.90 0.40 0.40
assign (resid  66 and name    HN) (resid  43 and name     O)  1.95 0.35 0.35
assign (resid  66 and name     N) (resid  43 and name     O)  2.90 0.40 0.40
assign (resid  97 and name    HN) (resid  63 and name     O)  1.95 0.35 0.35
assign (resid  97 and name     N) (resid  63 and name     O)  2.90 0.40 0.40
! parallel sheet 
assign (resid  39 and name    HN) (resid 115 and name     O)  1.95 0.35 0.35
assign (resid  39 and name     N) (resid 115 and name     O)  2.90 0.40 0.40
assign (resid  41 and name    HN) (resid 117 and name     O)  1.95 0.35 0.35
assign (resid  41 and name     N) (resid 117 and name     O)  2.90 0.40 0.40
assign (resid 115 and name    HN) (resid  37 and name     O)  1.95 0.35 0.35
assign (resid 115 and name     N) (resid  37 and name     O)  2.90 0.40 0.40
! long helix 
assign (resid  74 and name    HN) (resid  70 and name     O)  1.95 0.35 0.35
assign (resid  74 and name     N) (resid  70 and name     O)  2.90 0.40 0.40
assign (resid  75 and name    HN) (resid  71 and name     O)  1.95 0.35 0.35
assign (resid  75 and name     N) (resid  71 and name     O)  2.90 0.40 0.40
assign (resid  76 and name    HN) (resid  72 and name     O)  1.95 0.35 0.35
assign (resid  76 and name     N) (resid  72 and name     O)  2.90 0.40 0.40
assign (resid  77 and name    HN) (resid  73 and name     O)  1.95 0.35 0.35
assign (resid  77 and name     N) (resid  73 and name     O)  2.90 0.40 0.40
assign (resid  78 and name    HN) (resid  74 and name     O)  1.95 0.35 0.35
assign (resid  78 and name     N) (resid  74 and name     O)  2.90 0.40 0.40
assign (resid  79 and name    HN) (resid  75 and name     O)  1.95 0.35 0.35
assign (resid  79 and name     N) (resid  75 and name     O)  2.90 0.40 0.40
assign (resid  80 and name    HN) (resid  76 and name     O)  1.95 0.35 0.35
assign (resid  80 and name     N) (resid  76 and name     O)  2.90 0.40 0.40
assign (resid  81 and name    HN) (resid  77 and name     O)  1.95 0.35 0.35
assign (resid  81 and name     N) (resid  77 and name     O)  2.90 0.40 0.40
assign (resid  82 and name    HN) (resid  78 and name     O)  1.95 0.35 0.35
assign (resid  82 and name     N) (resid  78 and name     O)  2.90 0.40 0.40
assign (resid  83 and name    HN) (resid  79 and name     O)  1.95 0.35 0.35
assign (resid  83 and name     N) (resid  79 and name     O)  2.90 0.40 0.40
assign (resid  84 and name    HN) (resid  80 and name     O)  1.95 0.35 0.35
assign (resid  84 and name     N) (resid  80 and name     O)  2.90 0.40 0.40
assign (resid  87 and name    HN) (resid  83 and name     O)  1.95 0.35 0.35
assign (resid  87 and name     N) (resid  83 and name     O)  2.90 0.40 0.40
assign (resid  88 and name    HN) (resid  84 and name     O)  1.95 0.35 0.35
assign (resid  88 and name     N) (resid  84 and name     O)  2.90 0.40 0.40
! carboxyl helix 
assign (resid 106 and name    HN) (resid 102 and name     O)  1.95 0.35 0.35
assign (resid 106 and name     N) (resid 102 and name     O)  2.90 0.40 0.40
assign (resid 107 and name    HN) (resid 103 and name     O)  1.95 0.35 0.35
assign (resid 107 and name     N) (resid 103 and name     O)  2.90 0.40 0.40
assign (resid 108 and name    HN) (resid 104 and name     O)  1.95 0.35 0.35
assign (resid 108 and name     N) (resid 104 and name     O)  2.90 0.40 0.40
assign (resid 109 and name    HN) (resid 105 and name     O)  1.95 0.35 0.35
assign (resid 109 and name     N) (resid 105 and name     O)  2.90 0.40 0.40
assign (resid 110 and name    HN) (resid 106 and name     O)  1.95 0.35 0.35
assign (resid 110 and name     N) (resid 106 and name     O)  2.90 0.40 0.40
!@ END_HB_DATA
START_OF_TOR_DATA
!  LEU   3
assign (resid   2 and name     C) (resid   3 and name     N)
       (resid   3 and name    CA) (resid   3 and name     C) 1.0  -65.0   25.0 2
!  SER   4
assign (resid   3 and name     C) (resid   4 and name     N)
       (resid   4 and name    CA) (resid   4 and name     C) 1.0  -65.0   25.0 2
! LYS+   6
assign (resid   5 and name     C) (resid   6 and name     N)
       (resid   6 and name    CA) (resid   6 and name     C) 1.0  -65.0   25.0 2
!  THR   8
assign (resid   7 and name     C) (resid   8 and name     N)
       (resid   8 and name    CA) (resid   8 and name     C) 1.0  -65.0   25.0 2
!  ILE  18
assign (resid  17 and name     C) (resid  18 and name     N)
       (resid  18 and name    CA) (resid  18 and name     C) 1.0 -120.0   40.0 2
! ARG+  22
assign (resid  21 and name     C) (resid  22 and name     N)
       (resid  22 and name    CA) (resid  22 and name     C) 1.0 -120.0   40.0 2
!:ASN_25:C 1:MET_26:N 1:MET_26:CA 1:MET_26:C -90.000 -40.000
!  GLU  27
assign (resid  26 and name     C) (resid  27 and name     N)
       (resid  27 and name    CA) (resid  27 and name     C) 1.0 -120.0   40.0 2
!:GLU_27:C 1:MET_28:N 1:MET_28:CA 1:MET_28:C -90.000 -40.000
!  VAL  29
assign (resid  28 and name     C) (resid  29 and name     N)
       (resid  29 and name    CA) (resid  29 and name     C) 1.0 -120.0   40.0 2
!  THR  33
assign (resid  32 and name     C) (resid  33 and name     N)
       (resid  33 and name    CA) (resid  33 and name     C) 1.0  -65.0   25.0 2
! LYS+  34
assign (resid  33 and name     C) (resid  34 and name     N)
       (resid  34 and name    CA) (resid  34 and name     C) 1.0  -65.0   25.0 2
!  SER  35
assign (resid  34 and name     C) (resid  35 and name     N)
       (resid  35 and name    CA) (resid  35 and name     C) 1.0 -120.0   40.0 2
!  TYR  36
assign (resid  35 and name     C) (resid  36 and name     N)
       (resid  36 and name    CA) (resid  36 and name     C) 1.0  -65.0   25.0 2
!  ASN  38
assign (resid  37 and name     C) (resid  38 and name     N)
       (resid  38 and name    CA) (resid  38 and name     C) 1.0 -120.0   40.0 2
!  PHE  39
assign (resid  38 and name     C) (resid  39 and name     N)
       (resid  39 and name    CA) (resid  39 and name     C) 1.0 -120.0   40.0 2
!  TYR  40
assign (resid  39 and name     C) (resid  40 and name     N)
       (resid  40 and name    CA) (resid  40 and name     C) 1.0  -65.0   25.0 2
!  GLU  41
assign (resid  40 and name     C) (resid  41 and name     N)
       (resid  41 and name    CA) (resid  41 and name     C) 1.0  -65.0   25.0 2
! ASP-  43
assign (resid  42 and name     C) (resid  43 and name     N)
       (resid  43 and name    CA) (resid  43 and name     C) 1.0 -120.0   40.0 2
!  TYR  45
assign (resid  44 and name     C) (resid  45 and name     N)
       (resid  45 and name    CA) (resid  45 and name     C) 1.0 -120.0   40.0 2
!  VAL  46
assign (resid  45 and name     C) (resid  46 and name     N)
       (resid  46 and name    CA) (resid  46 and name     C) 1.0 -120.0   40.0 2
!  THR  50
assign (resid  49 and name     C) (resid  50 and name     N)
       (resid  50 and name    CA) (resid  50 and name     C) 1.0 -120.0   40.0 2
! ARG+  51
assign (resid  50 and name     C) (resid  51 and name     N)
       (resid  51 and name    CA) (resid  51 and name     C) 1.0 -120.0   40.0 2
!:LYS+_52:C 1:THR_53:N 1:THR_53:CA 1:THR_53:C -160.000 -80.000
!  SER  55
assign (resid  54 and name     C) (resid  55 and name     N)
       (resid  55 and name    CA) (resid  55 and name     C) 1.0 -120.0   40.0 2
!  PHE  57
assign (resid  56 and name     C) (resid  57 and name     N)
       (resid  57 and name    CA) (resid  57 and name     C) 1.0 -120.0   40.0 2
!  SER  58
assign (resid  57 and name     C) (resid  58 and name     N)
       (resid  58 and name    CA) (resid  58 and name     C) 1.0 -120.0   40.0 2
!  TYR  59
assign (resid  58 and name     C) (resid  59 and name     N)
       (resid  59 and name    CA) (resid  59 and name     C) 1.0 -120.0   40.0 2
!  ASN  60
assign (resid  59 and name     C) (resid  60 and name     N)
       (resid  60 and name    CA) (resid  60 and name     C) 1.0 -120.0   40.0 2
! HIS+  62
assign (resid  61 and name     C) (resid  62 and name     N)
       (resid  62 and name    CA) (resid  62 and name     C) 1.0 -120.0   40.0 2
!  TYR  63
assign (resid  62 and name     C) (resid  63 and name     N)
       (resid  63 and name    CA) (resid  63 and name     C) 1.0 -120.0   40.0 2
!  LEU  65
assign (resid  64 and name     C) (resid  65 and name     N)
       (resid  65 and name    CA) (resid  65 and name     C) 1.0 -120.0   40.0 2
! LYS+  67
assign (resid  66 and name     C) (resid  67 and name     N)
       (resid  67 and name    CA) (resid  67 and name     C) 1.0  -65.0   25.0 2
!  ASN  68
assign (resid  67 and name     C) (resid  68 and name     N)
       (resid  68 and name    CA) (resid  68 and name     C) 1.0 -120.0   40.0 2
!  SER  69
assign (resid  68 and name     C) (resid  69 and name     N)
       (resid  69 and name    CA) (resid  69 and name     C) 1.0  -65.0   25.0 2
!  GLN  71
assign (resid  70 and name     C) (resid  71 and name     N)
       (resid  71 and name    CA) (resid  71 and name     C) 1.0  -65.0   25.0 2
! ASP-  72
assign (resid  71 and name     C) (resid  72 and name     N)
       (resid  72 and name    CA) (resid  72 and name     C) 1.0  -65.0   25.0 2
!  GLU  73
assign (resid  72 and name     C) (resid  73 and name     N)
       (resid  73 and name    CA) (resid  73 and name     C) 1.0  -65.0   25.0 2
!  GLN  74
assign (resid  73 and name     C) (resid  74 and name     N)
       (resid  74 and name    CA) (resid  74 and name     C) 1.0  -65.0   25.0 2
!  ALA  76
assign (resid  75 and name     C) (resid  76 and name     N)
       (resid  76 and name    CA) (resid  76 and name     C) 1.0  -65.0   25.0 2
!  ALA  78
assign (resid  77 and name     C) (resid  78 and name     N)
       (resid  78 and name    CA) (resid  78 and name     C) 1.0  -65.0   25.0 2
!  ILE  79
assign (resid  78 and name     C) (resid  79 and name     N)
       (resid  79 and name    CA) (resid  79 and name     C) 1.0  -65.0   25.0 2
!:TYR_80:C 1:THR_81:N 1:THR_81:CA 1:THR_81:C -90.000 -40.000
!  THR  82
assign (resid  81 and name     C) (resid  82 and name     N)
       (resid  82 and name    CA) (resid  82 and name     C) 1.0  -65.0   25.0 2
!  GLN  83
assign (resid  82 and name     C) (resid  83 and name     N)
       (resid  83 and name    CA) (resid  83 and name     C) 1.0  -65.0   25.0 2
!  MET  84
assign (resid  83 and name     C) (resid  84 and name     N)
       (resid  84 and name    CA) (resid  84 and name     C) 1.0  -65.0   25.0 2
! ASP-  85
assign (resid  84 and name     C) (resid  85 and name     N)
       (resid  85 and name    CA) (resid  85 and name     C) 1.0  -65.0   25.0 2
!  GLU  86
assign (resid  85 and name     C) (resid  86 and name     N)
       (resid  86 and name    CA) (resid  86 and name     C) 1.0  -65.0   25.0 2
!  VAL  91
assign (resid  90 and name     C) (resid  91 and name     N)
       (resid  91 and name    CA) (resid  91 and name     C) 1.0 -120.0   40.0 2
!  VAL  93
assign (resid  92 and name     C) (resid  93 and name     N)
       (resid  93 and name    CA) (resid  93 and name     C) 1.0 -120.0   40.0 2
! HIS+  95
assign (resid  94 and name     C) (resid  95 and name     N)
       (resid  95 and name    CA) (resid  95 and name     C) 1.0 -120.0   40.0 2
! ARG+  96
assign (resid  95 and name     C) (resid  96 and name     N)
       (resid  96 and name    CA) (resid  96 and name     C) 1.0 -120.0   40.0 2
!  GLU  97
assign (resid  96 and name     C) (resid  97 and name     N)
       (resid  97 and name    CA) (resid  97 and name     C) 1.0 -120.0   40.0 2
!  VAL  98
assign (resid  97 and name     C) (resid  98 and name     N)
       (resid  98 and name    CA) (resid  98 and name     C) 1.0 -120.0   40.0 2
!  GLN  99
assign (resid  98 and name     C) (resid  99 and name     N)
       (resid  99 and name    CA) (resid  99 and name     C) 1.0  -65.0   25.0 2
! HIS+ 101
assign (resid 100 and name     C) (resid 101 and name     N)
       (resid 101 and name    CA) (resid 101 and name     C) 1.0 -120.0   40.0 2
!  GLU 102
assign (resid 101 and name     C) (resid 102 and name     N)
       (resid 102 and name    CA) (resid 102 and name     C) 1.0  -65.0   25.0 2
!  SER 103
assign (resid 102 and name     C) (resid 103 and name     N)
       (resid 103 and name    CA) (resid 103 and name     C) 1.0  -65.0   25.0 2
!  GLU 104
assign (resid 103 and name     C) (resid 104 and name     N)
       (resid 104 and name    CA) (resid 104 and name     C) 1.0  -65.0   25.0 2
!  THR 105
assign (resid 104 and name     C) (resid 105 and name     N)
       (resid 105 and name    CA) (resid 105 and name     C) 1.0  -65.0   25.0 2
!  PHE 106
assign (resid 105 and name     C) (resid 106 and name     N)
       (resid 106 and name    CA) (resid 106 and name     C) 1.0  -65.0   25.0 2
! ARG+ 107
assign (resid 106 and name     C) (resid 107 and name     N)
       (resid 107 and name    CA) (resid 107 and name     C) 1.0  -65.0   25.0 2
!  ALA 108
assign (resid 107 and name     C) (resid 108 and name     N)
       (resid 108 and name    CA) (resid 108 and name     C) 1.0  -65.0   25.0 2
!  TYR 109
assign (resid 108 and name     C) (resid 109 and name     N)
       (resid 109 and name    CA) (resid 109 and name     C) 1.0  -65.0   25.0 2
!  PHE 110
assign (resid 109 and name     C) (resid 110 and name     N)
       (resid 110 and name    CA) (resid 110 and name     C) 1.0 -120.0   40.0 2
! LYS+ 111
assign (resid 110 and name     C) (resid 111 and name     N)
       (resid 111 and name    CA) (resid 111 and name     C) 1.0  -65.0   25.0 2
!:LYS+_111:C 1:GLN_112:N 1:GLN_112:CA 1:GLN_112:C -160.000 -80.000
!  ILE 115
assign (resid 114 and name     C) (resid 115 and name     N)
       (resid 115 and name    CA) (resid 115 and name     C) 1.0 -120.0   40.0 2
!  TYR 116
assign (resid 115 and name     C) (resid 116 and name     N)
       (resid 116 and name    CA) (resid 116 and name     C) 1.0 -120.0   40.0 2
! LYS+ 117
assign (resid 116 and name     C) (resid 117 and name     N)
       (resid 117 and name    CA) (resid 117 and name     C) 1.0 -120.0   40.0 2
!  GLN 118
assign (resid 117 and name     C) (resid 118 and name     N)
       (resid 118 and name    CA) (resid 118 and name     C) 1.0  -65.0   25.0 2
!  VAL 121
assign (resid 120 and name     C) (resid 121 and name     N)
       (resid 121 and name    CA) (resid 121 and name     C) 1.0  -65.0   25.0 2
!  ALA 122
assign (resid 121 and name     C) (resid 122 and name     N)
       (resid 122 and name    CA) (resid 122 and name     C) 1.0  -65.0   25.0 2
! chi one   
!  LEU   3
assign (resid   3 and name     N) (resid   3 and name    CA)
       (resid   3 and name    CB) (resid   3 and name    CG) 1.0   60.0   40.0 2
!  VAL   7
assign (resid   7 and name     N) (resid   7 and name    CA)
       (resid   7 and name    CB) (resid   7 and name   CG2) 1.0  -60.0   40.0 2
!:GLN_19:N 1:GLN_19:CA 1:GLN_19:CB 1:GLN_19:CG 20.000 100.000
!  ILE  20
assign (resid  20 and name     N) (resid  20 and name    CA)
       (resid  20 and name    CB) (resid  20 and name   CG1) 1.0  -60.0   40.0 2
!  TRP  21
assign (resid  21 and name     N) (resid  21 and name    CA)
       (resid  21 and name    CB) (resid  21 and name    CG) 1.0  -60.0   40.0 2
!  ILE  23
assign (resid  23 and name     N) (resid  23 and name    CA)
       (resid  23 and name    CB) (resid  23 and name   CG1) 1.0  -60.0   40.0 2
!  ASN  25
assign (resid  25 and name     N) (resid  25 and name    CA)
       (resid  25 and name    CB) (resid  25 and name    CG) 1.0   60.0   40.0 2
!  MET  26
assign (resid  26 and name     N) (resid  26 and name    CA)
       (resid  26 and name    CB) (resid  26 and name    CG) 1.0  -60.0   40.0 2
!  VAL  29
assign (resid  29 and name     N) (resid  29 and name    CA)
       (resid  29 and name    CB) (resid  29 and name   CG2) 1.0  -60.0   40.0 2
!  VAL  31
assign (resid  31 and name     N) (resid  31 and name    CA)
       (resid  31 and name    CB) (resid  31 and name   CG2) 1.0  -60.0   40.0 2
!  THR  33
assign (resid  33 and name     N) (resid  33 and name    CA)
       (resid  33 and name    CB) (resid  33 and name   OG1) 1.0   60.0   40.0 2
!  SER  35
assign (resid  35 and name     N) (resid  35 and name    CA)
       (resid  35 and name    CB) (resid  35 and name    OG) 1.0  -60.0   40.0 2
!  TYR  36
assign (resid  36 and name     N) (resid  36 and name    CA)
       (resid  36 and name    CB) (resid  36 and name    CG) 1.0   60.0   40.0 2
!  ASN  38
assign (resid  38 and name     N) (resid  38 and name    CA)
       (resid  38 and name    CB) (resid  38 and name    CG) 1.0  -60.0   40.0 2
!  PHE  39
assign (resid  39 and name     N) (resid  39 and name    CA)
       (resid  39 and name    CB) (resid  39 and name    CG) 1.0   60.0   40.0 2
!  TYR  40
assign (resid  40 and name     N) (resid  40 and name    CA)
       (resid  40 and name    CB) (resid  40 and name    CG) 1.0  -60.0   40.0 2
!  GLU  41
assign (resid  41 and name     N) (resid  41 and name    CA)
       (resid  41 and name    CB) (resid  41 and name    CG) 1.0   60.0   40.0 2
! ASP-  43
assign (resid  43 and name     N) (resid  43 and name    CA)
       (resid  43 and name    CB) (resid  43 and name    CG) 1.0  -60.0   40.0 2
! CYSH  44
assign (resid  44 and name     N) (resid  44 and name    CA)
       (resid  44 and name    CB) (resid  44 and name    SG) 1.0  -60.0   40.0 2
!  TYR  45
assign (resid  45 and name     N) (resid  45 and name    CA)
       (resid  45 and name    CB) (resid  45 and name    CG) 1.0  -60.0   40.0 2
!  VAL  46
assign (resid  46 and name     N) (resid  46 and name    CA)
       (resid  46 and name    CB) (resid  46 and name   CG2) 1.0  -60.0   40.0 2
!  LEU  47
assign (resid  47 and name     N) (resid  47 and name    CA)
       (resid  47 and name    CB) (resid  47 and name    CG) 1.0  180.0   40.0 2
!  LEU  48
assign (resid  48 and name     N) (resid  48 and name    CA)
       (resid  48 and name    CB) (resid  48 and name    CG) 1.0  180.0   40.0 2
!  SER  49
assign (resid  49 and name     N) (resid  49 and name    CA)
       (resid  49 and name    CB) (resid  49 and name    OG) 1.0  180.0   40.0 2
! LYS+  52
assign (resid  52 and name     N) (resid  52 and name    CA)
       (resid  52 and name    CB) (resid  52 and name    CG) 1.0   60.0   40.0 2
!  THR  53
assign (resid  53 and name     N) (resid  53 and name    CA)
       (resid  53 and name    CB) (resid  53 and name   OG1) 1.0   60.0   40.0 2
!  PHE  57
assign (resid  57 and name     N) (resid  57 and name    CA)
       (resid  57 and name    CB) (resid  57 and name    CG) 1.0  -60.0   40.0 2
!  TYR  59
assign (resid  59 and name     N) (resid  59 and name    CA)
       (resid  59 and name    CB) (resid  59 and name    CG) 1.0  -60.0   40.0 2
!  ASN  60
assign (resid  60 and name     N) (resid  60 and name    CA)
       (resid  60 and name    CB) (resid  60 and name    CG) 1.0  -60.0   40.0 2
!  ILE  61
assign (resid  61 and name     N) (resid  61 and name    CA)
       (resid  61 and name    CB) (resid  61 and name   CG1) 1.0  -60.0   40.0 2
! HIS+  62
assign (resid  62 and name     N) (resid  62 and name    CA)
       (resid  62 and name    CB) (resid  62 and name    CG) 1.0  -60.0   40.0 2
!  TYR  63
assign (resid  63 and name     N) (resid  63 and name    CA)
       (resid  63 and name    CB) (resid  63 and name    CG) 1.0   60.0   40.0 2
!  TRP  64
assign (resid  64 and name     N) (resid  64 and name    CA)
       (resid  64 and name    CB) (resid  64 and name    CG) 1.0  180.0   40.0 2
!  LEU  65
assign (resid  65 and name     N) (resid  65 and name    CA)
       (resid  65 and name    CB) (resid  65 and name    CG) 1.0  -60.0   40.0 2
!  ASN  68
assign (resid  68 and name     N) (resid  68 and name    CA)
       (resid  68 and name    CB) (resid  68 and name    CG) 1.0  -60.0   40.0 2
!  SER  69
assign (resid  69 and name     N) (resid  69 and name    CA)
       (resid  69 and name    CB) (resid  69 and name    OG) 1.0   60.0   40.0 2
!  SER  70
assign (resid  70 and name     N) (resid  70 and name    CA)
       (resid  70 and name    CB) (resid  70 and name    OG) 1.0   60.0   40.0 2
! ASP-  72
assign (resid  72 and name     N) (resid  72 and name    CA)
       (resid  72 and name    CB) (resid  72 and name    CG) 1.0   60.0   40.0 2
!  TYR  80
assign (resid  80 and name     N) (resid  80 and name    CA)
       (resid  80 and name    CB) (resid  80 and name    CG) 1.0  -60.0   40.0 2
!:THR_82:N 1:THR_82:CA 1:THR_82:CB 1:THR_82:OG1 140.000 -140.000
!  LEU  88
assign (resid  88 and name     N) (resid  88 and name    CA)
       (resid  88 and name    CB) (resid  88 and name    CG) 1.0  -60.0   40.0 2
!  VAL  91
assign (resid  91 and name     N) (resid  91 and name    CA)
       (resid  91 and name    CB) (resid  91 and name   CG2) 1.0   60.0   40.0 2
!  VAL  93
assign (resid  93 and name     N) (resid  93 and name    CA)
       (resid  93 and name    CB) (resid  93 and name   CG2) 1.0  -60.0   40.0 2
! HIS+  95
assign (resid  95 and name     N) (resid  95 and name    CA)
       (resid  95 and name    CB) (resid  95 and name    CG) 1.0  -60.0   40.0 2
!  GLU  97
assign (resid  97 and name     N) (resid  97 and name    CA)
       (resid  97 and name    CB) (resid  97 and name    CG) 1.0  -60.0   40.0 2
! HIS+ 101
assign (resid 101 and name     N) (resid 101 and name    CA)
       (resid 101 and name    CB) (resid 101 and name    CG) 1.0  -60.0   40.0 2
!  SER 103
assign (resid 103 and name     N) (resid 103 and name    CA)
       (resid 103 and name    CB) (resid 103 and name    OG) 1.0   60.0   40.0 2
!:THR_105:N 1:THR_105:CA 1:THR_105:CB 1:THR_105:OG1 20.000 100.000
!  PHE 106
assign (resid 106 and name     N) (resid 106 and name    CA)
       (resid 106 and name    CB) (resid 106 and name    CG) 1.0  180.0   40.0 2
!  TYR 109
assign (resid 109 and name     N) (resid 109 and name    CA)
       (resid 109 and name    CB) (resid 109 and name    CG) 1.0  -60.0   40.0 2
!  PHE 110
assign (resid 110 and name     N) (resid 110 and name    CA)
       (resid 110 and name    CB) (resid 110 and name    CG) 1.0  -60.0   40.0 2
!  LEU 114
assign (resid 114 and name     N) (resid 114 and name    CA)
       (resid 114 and name    CB) (resid 114 and name    CG) 1.0  -60.0   40.0 2
!  TYR 116
assign (resid 116 and name     N) (resid 116 and name    CA)
       (resid 116 and name    CB) (resid 116 and name    CG) 1.0  -60.0   40.0 2
! LYS+ 117
assign (resid 117 and name     N) (resid 117 and name    CA)
       (resid 117 and name    CB) (resid 117 and name    CG) 1.0  -60.0   40.0 2
!  MET 125
assign (resid 125 and name     N) (resid 125 and name    CA)
       (resid 125 and name    CB) (resid 125 and name    CG) 1.0  -60.0   40.0 2
END_OF_DATA

  Entry H atom name         Submitted Coord H atom name
    1   1H    VAL   1           HT2      VAL   1  -9.816 -31.979  -1.445
    2   2H    VAL   1           HT1      VAL   1 -10.856 -33.244  -1.896
    3   3H    VAL   1           HT3      VAL   1 -10.723 -32.799  -0.265
    4    HA   VAL   1           HA       VAL   1  -8.535 -33.630  -0.095
    5    HB   VAL   1           HB       VAL   1 -10.112 -35.587  -1.789
    6   1HG1  VAL   1          HG13      VAL   1  -7.789 -35.742   0.081
    7   2HG1  VAL   1          HG12      VAL   1  -8.956 -37.064   0.121
    8   3HG1  VAL   1          HG11      VAL   1  -8.118 -36.673  -1.380
    9   1HG2  VAL   1          HG23      VAL   1 -10.426 -34.656   1.058
   10   2HG2  VAL   1          HG22      VAL   1 -11.672 -34.940  -0.157
   11   3HG2  VAL   1          HG21      VAL   1 -10.866 -36.306   0.614
   12    H    GLU   2           HN       GLU   2  -6.546 -33.864  -1.056
   13    HA   GLU   2           HA       GLU   2  -4.954 -33.431  -2.749
   14   1HB   GLU   2           HB2      GLU   2  -5.179 -35.095  -4.637
   15   2HB   GLU   2           HB1      GLU   2  -5.244 -35.809  -3.026
   16   1HG   GLU   2           HG2      GLU   2  -7.679 -35.906  -3.120
   17   2HG   GLU   2           HG1      GLU   2  -7.679 -35.075  -4.677
   18    H    LEU   3           HN       LEU   3  -5.896 -31.217  -3.094
   19    HA   LEU   3           HA       LEU   3  -7.856 -30.513  -4.938
   20   1HB   LEU   3           HB2      LEU   3  -6.857 -28.377  -5.054
   21   2HB   LEU   3           HB1      LEU   3  -6.346 -28.993  -3.485
   22    HG   LEU   3           HG       LEU   3  -4.652 -29.315  -5.975
   23   1HD1  LEU   3          HD11      LEU   3  -4.931 -27.011  -4.075
   24   2HD1  LEU   3          HD13      LEU   3  -3.346 -27.386  -4.752
   25   3HD1  LEU   3          HD12      LEU   3  -4.691 -26.993  -5.822
   26   1HD2  LEU   3          HD21      LEU   3  -4.255 -30.763  -3.929
   27   2HD2  LEU   3          HD23      LEU   3  -2.883 -29.761  -4.396
   28   3HD2  LEU   3          HD22      LEU   3  -3.901 -29.284  -3.039
   29    H    SER   4           HN       SER   4  -4.539 -31.555  -5.599
   30    HA   SER   4           HA       SER   4  -4.202 -30.943  -8.270
   31   1HB   SER   4           HB2      SER   4  -2.613 -32.609  -8.323
   32   2HB   SER   4           HB1      SER   4  -2.861 -32.539  -6.581
   33    HG   SER   4           HG       SER   4  -3.311 -34.586  -6.867
   34    H    LYS   5           HN       LYS   5  -4.812 -31.939 -10.264
   35    HA   LYS   5           HA       LYS   5  -6.151 -33.244 -11.708
   36   1HB   LYS   5           HB2      LYS   5  -5.968 -34.949  -9.715
   37   2HB   LYS   5           HB1      LYS   5  -7.618 -34.431  -9.371
   38   1HG   LYS   5           HG2      LYS   5  -8.450 -35.280 -11.371
   39   2HG   LYS   5           HG1      LYS   5  -6.886 -35.180 -12.181
   40   1HD   LYS   5           HD2      LYS   5  -6.563 -36.934  -9.968
   41   2HD   LYS   5           HD1      LYS   5  -8.039 -37.420 -10.802
   42   1HE   LYS   5           HE2      LYS   5  -6.355 -36.944 -12.912
   43   2HE   LYS   5           HE1      LYS   5  -5.235 -37.572 -11.703
   44   1HZ   LYS   5           HZ2      LYS   5  -6.781 -39.447 -11.374
   45   2HZ   LYS   5           HZ1      LYS   5  -7.727 -38.868 -12.661
   46   3HZ   LYS   5           HZ3      LYS   5  -6.137 -39.387 -12.945
   47    H    LYS   6           HN       LYS   6  -8.321 -32.770  -8.899
   48    HA   LYS   6           HA       LYS   6 -10.273 -31.481 -10.688
   49   1HB   LYS   6           HB2      LYS   6 -10.467 -31.918  -7.696
   50   2HB   LYS   6           HB1      LYS   6 -11.792 -31.605  -8.817
   51   1HG   LYS   6           HG2      LYS   6 -10.132 -33.911  -9.572
   52   2HG   LYS   6           HG1      LYS   6 -10.961 -34.110  -8.028
   53   1HD   LYS   6           HD2      LYS   6 -13.103 -33.496  -9.106
   54   2HD   LYS   6           HD1      LYS   6 -12.269 -33.335 -10.652
   55   1HE   LYS   6           HE2      LYS   6 -11.462 -35.774 -10.200
   56   2HE   LYS   6           HE1      LYS   6 -12.795 -35.826  -9.045
   57   1HZ   LYS   6           HZ2      LYS   6 -13.948 -34.726 -11.215
   58   2HZ   LYS   6           HZ1      LYS   6 -12.856 -35.817 -11.926
   59   3HZ   LYS   6           HZ3      LYS   6 -14.012 -36.377 -10.818
   60    H    VAL   7           HN       VAL   7  -7.594 -30.249  -9.651
   61    HA   VAL   7           HA       VAL   7  -8.760 -27.575  -9.213
   62    HB   VAL   7           HB       VAL   7  -6.712 -28.659  -7.264
   63   1HG1  VAL   7          HG11      VAL   7  -7.599 -26.067  -7.894
   64   2HG1  VAL   7          HG13      VAL   7  -8.418 -26.484  -6.389
   65   3HG1  VAL   7          HG12      VAL   7  -6.658 -26.548  -6.483
   66   1HG2  VAL   7          HG22      VAL   7  -8.861 -29.896  -7.056
   67   2HG2  VAL   7          HG21      VAL   7  -8.560 -28.868  -5.656
   68   3HG2  VAL   7          HG23      VAL   7  -9.711 -28.360  -6.891
   69    H    THR   8           HN       THR   8  -5.512 -28.972  -8.676
   70    HA   THR   8           HA       THR   8  -4.037 -26.918  -9.860
   71    HB   THR   8           HB       THR   8  -2.259 -28.577 -10.222
   72    HG1  THR   8           HG1      THR   8  -2.692 -30.661 -10.340
   73   1HG2  THR   8          HG22      THR   8  -2.773 -27.802  -7.913
   74   2HG2  THR   8          HG21      THR   8  -3.848 -29.185  -7.715
   75   3HG2  THR   8          HG23      THR   8  -2.118 -29.439  -7.942
   76    H    GLY   9           HN       GLY   9  -6.027 -29.311 -11.406
   77   1HA   GLY   9           HA2      GLY   9  -4.899 -29.350 -14.004
   78   2HA   GLY   9           HA1      GLY   9  -6.614 -29.582 -13.662
   79    H    LYS  10           HN       LYS  10  -7.513 -27.226 -12.769
   80    HA   LYS  10           HA       LYS  10  -6.513 -25.086 -14.562
   81   1HB   LYS  10           HB2      LYS  10  -9.434 -25.889 -14.525
   82   2HB   LYS  10           HB1      LYS  10  -8.667 -24.690 -15.567
   83   1HG   LYS  10           HG2      LYS  10  -7.144 -26.755 -16.250
   84   2HG   LYS  10           HG1      LYS  10  -8.546 -27.677 -15.707
   85   1HD   LYS  10           HD2      LYS  10  -8.479 -25.542 -17.854
   86   2HD   LYS  10           HD1      LYS  10  -8.837 -27.257 -18.064
   87   1HE   LYS  10           HE2      LYS  10 -10.602 -26.246 -16.064
   88   2HE   LYS  10           HE1      LYS  10 -10.653 -25.137 -17.434
   89   1HZ   LYS  10           HZ1      LYS  10 -10.635 -27.871 -18.257
   90   2HZ   LYS  10           HZ3      LYS  10 -11.953 -27.531 -17.245
   91   3HZ   LYS  10           HZ2      LYS  10 -11.717 -26.627 -18.665
   92    H    LEU  11           HN       LEU  11  -5.996 -24.731 -12.060
   93    HA   LEU  11           HA       LEU  11  -7.887 -24.001 -10.157
   94   1HB   LEU  11           HB2      LEU  11  -5.253 -22.650 -10.810
   95   2HB   LEU  11           HB1      LEU  11  -6.190 -22.321  -9.352
   96    HG   LEU  11           HG       LEU  11  -5.577 -25.173 -10.007
   97   1HD1  LEU  11          HD11      LEU  11  -3.593 -23.120  -9.016
   98   2HD1  LEU  11          HD13      LEU  11  -3.426 -24.833  -8.633
   99   3HD1  LEU  11          HD12      LEU  11  -3.389 -24.298 -10.313
  100   1HD2  LEU  11          HD21      LEU  11  -6.990 -24.286  -8.048
  101   2HD2  LEU  11          HD23      LEU  11  -5.708 -25.428  -7.643
  102   3HD2  LEU  11          HD22      LEU  11  -5.471 -23.703  -7.367
  103    H    ASP  12           HN       ASP  12  -6.377 -21.656 -12.415
  104    HA   ASP  12           HA       ASP  12  -8.975 -20.392 -12.898
  105   1HB   ASP  12           HB2      ASP  12  -7.156 -19.383 -10.852
  106   2HB   ASP  12           HB1      ASP  12  -7.472 -18.179 -12.101
  107    H    LYS  13           HN       LYS  13  -8.923 -19.716 -14.986
  108    HA   LYS  13           HA       LYS  13  -6.361 -18.690 -16.098
  109   1HB   LYS  13           HB2      LYS  13  -8.085 -20.760 -17.493
  110   2HB   LYS  13           HB1      LYS  13  -6.577 -20.070 -18.094
  111   1HG   LYS  13           HG2      LYS  13  -6.012 -21.042 -15.501
  112   2HG   LYS  13           HG1      LYS  13  -6.951 -22.302 -16.304
  113   1HD   LYS  13           HD2      LYS  13  -5.417 -22.320 -18.188
  114   2HD   LYS  13           HD1      LYS  13  -4.531 -20.946 -17.526
  115   1HE   LYS  13           HE2      LYS  13  -4.261 -22.502 -15.420
  116   2HE   LYS  13           HE1      LYS  13  -4.592 -23.793 -16.575
  117   1HZ   LYS  13           HZ1      LYS  13  -2.808 -22.348 -17.924
  118   2HZ   LYS  13           HZ3      LYS  13  -2.274 -22.066 -16.339
  119   3HZ   LYS  13           HZ2      LYS  13  -2.392 -23.657 -16.924
  120    H    THR  14           HN       THR  14  -6.696 -16.898 -17.331
  121    HA   THR  14           HA       THR  14  -7.891 -15.107 -18.263
  122    HB   THR  14           HB       THR  14  -9.564 -15.825 -19.991
  123    HG1  THR  14           HG1      THR  14 -10.269 -17.804 -19.983
  124   1HG2  THR  14          HG22      THR  14  -7.045 -15.740 -20.324
  125   2HG2  THR  14          HG21      THR  14  -7.039 -17.485 -20.066
  126   3HG2  THR  14          HG23      THR  14  -7.920 -16.799 -21.431
  127    H    THR  15           HN       THR  15  -8.623 -15.178 -15.755
  128    HA   THR  15           HA       THR  15 -11.374 -14.307 -15.776
  129    HB   THR  15           HB       THR  15 -10.715 -16.980 -14.522
  130    HG1  THR  15           HG1      THR  15 -12.912 -16.233 -16.125
  131   1HG2  THR  15          HG21      THR  15 -12.759 -14.937 -13.808
  132   2HG2  THR  15          HG23      THR  15 -13.291 -16.618 -13.860
  133   3HG2  THR  15          HG22      THR  15 -11.971 -16.143 -12.791
  134    HA   PRO  16           HA       PRO  16  -9.000 -12.404 -12.438
  135   1HB   PRO  16           HB2      PRO  16 -10.459 -10.073 -12.465
  136   2HB   PRO  16           HB1      PRO  16  -9.106 -10.396 -13.563
  137   1HG   PRO  16           HG2      PRO  16 -12.035 -10.418 -14.135
  138   2HG   PRO  16           HG1      PRO  16 -10.680 -10.098 -15.230
  139   1HD   PRO  16           HD2      PRO  16 -12.128 -12.519 -15.063
  140   2HD   PRO  16           HD1      PRO  16 -10.567 -12.294 -15.881
  141    H    GLY  17           HN       GLY  17  -9.533 -13.138 -10.419
  142   1HA   GLY  17           HA2      GLY  17 -11.648 -12.190  -8.850
  143   2HA   GLY  17           HA1      GLY  17 -12.250 -13.672  -9.598
  144    H    ILE  18           HN       ILE  18 -12.238 -14.989  -7.747
  145    HA   ILE  18           HA       ILE  18  -9.589 -15.946  -6.930
  146    HB   ILE  18           HB       ILE  18  -9.760 -15.447  -4.605
  147   1HG1  ILE  18          HG12      ILE  18 -12.536 -14.371  -5.196
  148   2HG1  ILE  18          HG11      ILE  18 -12.189 -15.910  -4.408
  149   1HG2  ILE  18          HG22      ILE  18  -9.034 -13.544  -6.016
  150   2HG2  ILE  18          HG21      ILE  18 -10.709 -13.001  -6.126
  151   3HG2  ILE  18          HG23      ILE  18  -9.880 -12.996  -4.569
  152   1HD1  ILE  18          HD12      ILE  18 -10.764 -13.679  -3.170
  153   2HD1  ILE  18          HD11      ILE  18 -12.515 -13.472  -3.121
  154   3HD1  ILE  18          HD13      ILE  18 -11.778 -14.915  -2.424
  155    H    GLN  19           HN       GLN  19  -9.680 -18.037  -6.181
  156    HA   GLN  19           HA       GLN  19 -12.401 -19.236  -5.843
  157   1HB   GLN  19           HB2      GLN  19 -11.251 -19.956  -7.957
  158   2HB   GLN  19           HB1      GLN  19  -9.930 -20.591  -6.976
  159   1HG   GLN  19           HG2      GLN  19 -12.072 -21.745  -5.746
  160   2HG   GLN  19           HG1      GLN  19 -12.644 -21.680  -7.413
  161   1HE2  GLN  19          HE22      GLN  19  -9.313 -23.475  -8.190
  162   2HE2  GLN  19          HE21      GLN  19  -9.706 -21.831  -8.347
  163    H    ILE  20           HN       ILE  20 -12.583 -19.639  -3.663
  164    HA   ILE  20           HA       ILE  20 -10.141 -20.175  -2.101
  165    HB   ILE  20           HB       ILE  20 -12.902 -20.332  -0.936
  166   1HG1  ILE  20          HG12      ILE  20 -11.443 -17.723  -1.430
  167   2HG1  ILE  20          HG11      ILE  20 -12.776 -18.293  -2.437
  168   1HG2  ILE  20          HG21      ILE  20 -10.122 -19.731  -0.036
  169   2HG2  ILE  20          HG23      ILE  20 -11.446 -18.925   0.804
  170   3HG2  ILE  20          HG22      ILE  20 -11.379 -20.686   0.750
  171   1HD1  ILE  20          HD12      ILE  20 -13.544 -18.567   0.302
  172   2HD1  ILE  20          HD11      ILE  20 -12.932 -16.931   0.059
  173   3HD1  ILE  20          HD13      ILE  20 -14.259 -17.533  -0.935
  174    H    TRP  21           HN       TRP  21 -10.527 -21.945  -0.327
  175    HA   TRP  21           HA       TRP  21 -11.874 -24.323  -1.470
  176   1HB   TRP  21           HB2      TRP  21  -8.972 -24.077  -0.703
  177   2HB   TRP  21           HB1      TRP  21  -9.802 -25.622  -0.509
  178    HD1  TRP  21           HD1      TRP  21 -10.524 -26.929  -2.679
  179    HE1  TRP  21           HE1      TRP  21  -9.919 -26.631  -5.175
  180    HE3  TRP  21           HE3      TRP  21  -8.425 -22.284  -2.526
  181    HZ2  TRP  21           HZ2      TRP  21  -8.700 -24.665  -6.877
  182    HZ3  TRP  21           HZ3      TRP  21  -7.550 -21.221  -4.585
  183    HH2  TRP  21           HH2      TRP  21  -7.686 -22.404  -6.760
  184    H    ARG  22           HN       ARG  22 -13.281 -24.942   0.121
  185    HA   ARG  22           HA       ARG  22 -12.918 -23.953   2.835
  186   1HB   ARG  22           HB2      ARG  22 -15.016 -25.253   3.304
  187   2HB   ARG  22           HB1      ARG  22 -15.174 -24.096   1.984
  188   1HG   ARG  22           HG2      ARG  22 -14.315 -26.354   0.664
  189   2HG   ARG  22           HG1      ARG  22 -15.336 -27.032   1.931
  190   1HD   ARG  22           HD2      ARG  22 -16.571 -24.681   0.767
  191   2HD   ARG  22           HD1      ARG  22 -16.203 -25.875  -0.477
  192    HE   ARG  22           HE       ARG  22 -17.411 -27.497   1.220
  193   1HH1  ARG  22          HH11      ARG  22 -18.090 -24.637   2.493
  194   2HH1  ARG  22          HH12      ARG  22 -19.767 -24.562   2.067
  195   1HH2  ARG  22          HH21      ARG  22 -19.594 -27.219  -0.155
  196   2HH2  ARG  22          HH22      ARG  22 -20.619 -26.024   0.568
  197    H    ILE  23           HN       ILE  23 -12.141 -25.010   4.556
  198    HA   ILE  23           HA       ILE  23 -11.115 -27.779   4.146
  199    HB   ILE  23           HB       ILE  23 -10.374 -25.678   6.210
  200   1HG1  ILE  23          HG12      ILE  23  -9.756 -25.300   3.728
  201   2HG1  ILE  23          HG11      ILE  23  -8.451 -25.215   4.909
  202   1HG2  ILE  23          HG21      ILE  23  -9.649 -28.527   5.812
  203   2HG2  ILE  23          HG23      ILE  23  -8.320 -27.431   6.189
  204   3HG2  ILE  23          HG22      ILE  23  -9.689 -27.569   7.292
  205   1HD1  ILE  23          HD12      ILE  23  -8.966 -27.922   3.841
  206   2HD1  ILE  23          HD11      ILE  23  -8.376 -26.760   2.652
  207   3HD1  ILE  23          HD13      ILE  23  -7.434 -27.088   4.106
  208    H    GLU  24           HN       GLU  24 -13.904 -27.082   4.783
  209    HA   GLU  24           HA       GLU  24 -14.550 -27.363   7.522
  210   1HB   GLU  24           HB2      GLU  24 -16.734 -28.310   6.663
  211   2HB   GLU  24           HB1      GLU  24 -16.278 -26.759   5.959
  212   1HG   GLU  24           HG2      GLU  24 -15.061 -28.440   4.215
  213   2HG   GLU  24           HG1      GLU  24 -16.438 -29.434   4.693
  214    H    ASN  25           HN       ASN  25 -15.562 -29.347   8.522
  215    HA   ASN  25           HA       ASN  25 -15.065 -31.475   9.406
  216   1HB   ASN  25           HB2      ASN  25 -15.565 -33.255   7.871
  217   2HB   ASN  25           HB1      ASN  25 -16.593 -31.893   7.424
  218   1HD2  ASN  25          HD22      ASN  25 -15.230 -31.655   4.193
  219   2HD2  ASN  25          HD21      ASN  25 -16.461 -31.209   5.273
  220    H    MET  26           HN       MET  26 -12.728 -29.797   8.562
  221    HA   MET  26           HA       MET  26 -10.407 -30.052   8.388
  222   1HB   MET  26           HB2      MET  26 -10.759 -32.953   9.103
  223   2HB   MET  26           HB1      MET  26  -9.485 -31.836   9.594
  224   1HG   MET  26           HG2      MET  26 -12.369 -31.469  10.434
  225   2HG   MET  26           HG1      MET  26 -11.219 -32.404  11.387
  226   1HE   MET  26           HE1      MET  26  -8.935 -31.708  11.552
  227   2HE   MET  26           HE3      MET  26  -8.350 -30.199  10.838
  228   3HE   MET  26           HE2      MET  26  -8.608 -30.313  12.577
  229    H    GLU  27           HN       GLU  27 -11.525 -30.121   5.941
  230    HA   GLU  27           HA       GLU  27  -9.757 -31.944   4.486
  231   1HB   GLU  27           HB2      GLU  27 -12.767 -32.212   4.225
  232   2HB   GLU  27           HB1      GLU  27 -11.589 -32.982   3.164
  233   1HG   GLU  27           HG2      GLU  27 -10.590 -34.086   5.197
  234   2HG   GLU  27           HG1      GLU  27 -11.941 -33.452   6.136
  235    H    MET  28           HN       MET  28  -9.136 -30.944   2.613
  236    HA   MET  28           HA       MET  28 -10.053 -28.284   2.031
  237   1HB   MET  28           HB2      MET  28  -7.843 -29.730   1.348
  238   2HB   MET  28           HB1      MET  28  -8.749 -29.779  -0.164
  239   1HG   MET  28           HG2      MET  28  -9.055 -27.157   0.538
  240   2HG   MET  28           HG1      MET  28  -7.446 -27.491   1.177
  241   1HE   MET  28           HE3      MET  28  -7.682 -25.459  -0.405
  242   2HE   MET  28           HE2      MET  28  -6.071 -25.800  -1.031
  243   3HE   MET  28           HE1      MET  28  -7.399 -25.509  -2.150
  244    H    VAL  29           HN       VAL  29 -11.328 -27.540   0.325
  245    HA   VAL  29           HA       VAL  29 -12.685 -29.457  -1.446
  246    HB   VAL  29           HB       VAL  29 -13.952 -28.156   0.927
  247   1HG1  VAL  29          HG11      VAL  29 -15.049 -27.160  -1.191
  248   2HG1  VAL  29          HG13      VAL  29 -15.626 -28.794  -1.509
  249   3HG1  VAL  29          HG12      VAL  29 -16.113 -27.959  -0.040
  250   1HG2  VAL  29          HG23      VAL  29 -14.224 -30.734  -0.615
  251   2HG2  VAL  29          HG22      VAL  29 -13.636 -30.503   1.032
  252   3HG2  VAL  29          HG21      VAL  29 -15.348 -30.285   0.668
  253    HA   PRO  30           HA       PRO  30 -12.372 -25.917  -3.998
  254   1HB   PRO  30           HB2      PRO  30 -14.238 -26.604  -5.904
  255   2HB   PRO  30           HB1      PRO  30 -12.611 -27.300  -5.807
  256   1HG   PRO  30           HG2      PRO  30 -15.227 -28.507  -5.002
  257   2HG   PRO  30           HG1      PRO  30 -13.754 -29.303  -5.584
  258   1HD   PRO  30           HD2      PRO  30 -14.561 -29.194  -2.904
  259   2HD   PRO  30           HD1      PRO  30 -12.913 -29.547  -3.457
  260    H    VAL  31           HN       VAL  31 -13.130 -24.044  -3.210
  261    HA   VAL  31           HA       VAL  31 -16.065 -23.621  -2.884
  262    HB   VAL  31           HB       VAL  31 -13.648 -22.228  -1.702
  263   1HG1  VAL  31          HG13      VAL  31 -16.561 -21.390  -1.664
  264   2HG1  VAL  31          HG12      VAL  31 -15.334 -20.735  -0.579
  265   3HG1  VAL  31          HG11      VAL  31 -15.202 -20.476  -2.319
  266   1HG2  VAL  31          HG22      VAL  31 -14.965 -24.398  -0.793
  267   2HG2  VAL  31          HG21      VAL  31 -14.265 -23.190   0.286
  268   3HG2  VAL  31          HG23      VAL  31 -15.985 -23.135  -0.102
  269    HA   PRO  32           HA       PRO  32 -15.200 -21.225  -6.646
  270   1HB   PRO  32           HB2      PRO  32 -17.766 -21.452  -7.609
  271   2HB   PRO  32           HB1      PRO  32 -16.512 -22.679  -7.862
  272   1HG   PRO  32           HG2      PRO  32 -18.853 -22.740  -6.013
  273   2HG   PRO  32           HG1      PRO  32 -17.982 -24.087  -6.766
  274   1HD   PRO  32           HD2      PRO  32 -17.686 -23.218  -4.091
  275   2HD   PRO  32           HD1      PRO  32 -16.594 -24.318  -4.957
  276    H    THR  33           HN       THR  33 -17.335 -19.626  -7.604
  277    HA   THR  33           HA       THR  33 -17.397 -17.550  -5.517
  278    HB   THR  33           HB       THR  33 -17.735 -16.073  -7.223
  279    HG1  THR  33           HG1      THR  33 -19.441 -17.981  -8.442
  280   1HG2  THR  33          HG22      THR  33 -16.013 -17.751  -8.074
  281   2HG2  THR  33          HG21      THR  33 -17.309 -18.436  -9.055
  282   3HG2  THR  33          HG23      THR  33 -16.804 -16.765  -9.305
  283    H    LYS  34           HN       LYS  34 -19.329 -20.162  -6.411
  284    HA   LYS  34           HA       LYS  34 -21.919 -18.959  -5.948
  285   1HB   LYS  34           HB2      LYS  34 -20.855 -21.717  -6.336
  286   2HB   LYS  34           HB1      LYS  34 -22.410 -21.566  -5.515
  287   1HG   LYS  34           HG2      LYS  34 -23.217 -20.135  -7.399
  288   2HG   LYS  34           HG1      LYS  34 -21.694 -20.435  -8.236
  289   1HD   LYS  34           HD2      LYS  34 -23.025 -22.109  -9.149
  290   2HD   LYS  34           HD1      LYS  34 -22.303 -22.967  -7.788
  291   1HE   LYS  34           HE2      LYS  34 -24.407 -23.417  -7.106
  292   2HE   LYS  34           HE1      LYS  34 -24.533 -21.709  -6.682
  293   1HZ   LYS  34           HZ1      LYS  34 -25.039 -21.522  -9.240
  294   2HZ   LYS  34           HZ3      LYS  34 -25.549 -23.126  -9.031
  295   3HZ   LYS  34           HZ2      LYS  34 -26.264 -21.883  -8.119
  296    H    SER  35           HN       SER  35 -19.386 -20.112  -3.902
  297    HA   SER  35           HA       SER  35 -21.215 -19.794  -1.560
  298   1HB   SER  35           HB2      SER  35 -19.335 -22.024  -2.214
  299   2HB   SER  35           HB1      SER  35 -19.513 -21.555  -0.526
  300    HG   SER  35           HG       SER  35 -21.114 -23.071  -1.940
  301    H    TYR  36           HN       TYR  36 -18.432 -18.728  -3.117
  302    HA   TYR  36           HA       TYR  36 -16.595 -18.292  -1.017
  303   1HB   TYR  36           HB2      TYR  36 -15.570 -16.673  -2.404
  304   2HB   TYR  36           HB1      TYR  36 -16.334 -17.783  -3.539
  305    HD1  TYR  36           HD1      TYR  36 -19.151 -17.030  -3.458
  306    HD2  TYR  36           HD2      TYR  36 -15.656 -14.536  -3.354
  307    HE1  TYR  36           HE1      TYR  36 -20.464 -15.151  -4.403
  308    HE2  TYR  36           HE2      TYR  36 -16.969 -12.657  -4.300
  309    HH   TYR  36           HH       TYR  36 -19.016 -11.934  -4.837
  310    H    GLY  37           HN       GLY  37 -16.559 -16.892   0.701
  311   1HA   GLY  37           HA2      GLY  37 -17.184 -14.599   1.537
  312   2HA   GLY  37           HA1      GLY  37 -18.788 -14.900   0.867
  313    H    ASN  38           HN       ASN  38 -19.863 -16.966   1.768
  314    HA   ASN  38           HA       ASN  38 -19.736 -16.810   4.697
  315   1HB   ASN  38           HB2      ASN  38 -21.411 -18.811   3.208
  316   2HB   ASN  38           HB1      ASN  38 -21.777 -17.944   4.700
  317   1HD2  ASN  38          HD22      ASN  38 -23.727 -16.364   1.915
  318   2HD2  ASN  38          HD21      ASN  38 -23.658 -17.924   2.580
  319    H    PHE  39           HN       PHE  39 -17.575 -17.708   4.971
  320    HA   PHE  39           HA       PHE  39 -17.466 -20.658   4.487
  321   1HB   PHE  39           HB2      PHE  39 -14.872 -19.961   5.023
  322   2HB   PHE  39           HB1      PHE  39 -15.548 -20.095   3.402
  323    HD1  PHE  39           HD2      PHE  39 -14.905 -17.690   6.182
  324    HD2  PHE  39           HD1      PHE  39 -15.771 -18.194   2.005
  325    HE1  PHE  39           HE2      PHE  39 -14.491 -15.274   5.804
  326    HE2  PHE  39           HE1      PHE  39 -15.357 -15.779   1.627
  327    HZ   PHE  39           HZ       PHE  39 -14.717 -14.318   3.526
  328    H    TYR  40           HN       TYR  40 -17.260 -21.960   6.245
  329    HA   TYR  40           HA       TYR  40 -17.909 -21.308   8.820
  330   1HB   TYR  40           HB2      TYR  40 -15.738 -23.291   8.081
  331   2HB   TYR  40           HB1      TYR  40 -16.690 -23.296   9.566
  332    HD1  TYR  40           HD1      TYR  40 -19.387 -22.790   8.785
  333    HD2  TYR  40           HD2      TYR  40 -16.397 -25.055   6.703
  334    HE1  TYR  40           HE1      TYR  40 -21.168 -24.075   7.639
  335    HE2  TYR  40           HE2      TYR  40 -18.177 -26.345   5.554
  336    HH   TYR  40           HH       TYR  40 -21.596 -25.886   6.369
  337    H    GLU  41           HN       GLU  41 -16.816 -20.632  10.710
  338    HA   GLU  41           HA       GLU  41 -14.421 -18.998  10.187
  339   1HB   GLU  41           HB2      GLU  41 -14.866 -17.934  12.273
  340   2HB   GLU  41           HB1      GLU  41 -16.447 -18.198  11.540
  341   1HG   GLU  41           HG2      GLU  41 -16.644 -20.323  12.852
  342   2HG   GLU  41           HG1      GLU  41 -15.135 -19.911  13.667
  343    H    GLY  42           HN       GLY  42 -15.400 -21.713  12.246
  344   1HA   GLY  42           HA2      GLY  42 -12.694 -21.950  13.344
  345   2HA   GLY  42           HA1      GLY  42 -14.054 -23.016  13.694
  346    H    ASP  43           HN       ASP  43 -11.970 -22.155  10.882
  347    HA   ASP  43           HA       ASP  43 -11.296 -24.966  10.497
  348   1HB   ASP  43           HB2      ASP  43 -12.773 -23.769   8.163
  349   2HB   ASP  43           HB1      ASP  43 -12.474 -25.464   8.533
  350    H    CYS  44           HN       CYS  44 -10.955 -24.449   7.540
  351    HA   CYS  44           HA       CYS  44  -8.848 -22.343   7.509
  352   1HB   CYS  44           HB2      CYS  44  -8.510 -25.302   7.034
  353   2HB   CYS  44           HB1      CYS  44  -7.509 -24.164   6.138
  354    HG   CYS  44           HG       CYS  44  -6.828 -24.998   8.830
  355    H    TYR  45           HN       TYR  45  -8.597 -21.449   5.398
  356    HA   TYR  45           HA       TYR  45 -10.213 -22.661   3.221
  357   1HB   TYR  45           HB2      TYR  45 -10.623 -19.934   4.433
  358   2HB   TYR  45           HB1      TYR  45 -11.051 -20.247   2.751
  359    HD1  TYR  45           HD1      TYR  45 -11.543 -21.617   6.202
  360    HD2  TYR  45           HD2      TYR  45 -13.120 -21.209   2.229
  361    HE1  TYR  45           HE1      TYR  45 -13.657 -22.677   6.935
  362    HE2  TYR  45           HE2      TYR  45 -15.235 -22.272   2.962
  363    HH   TYR  45           HH       TYR  45 -16.020 -23.774   4.728
  364    H    VAL  46           HN       VAL  46  -8.656 -22.908   1.669
  365    HA   VAL  46           HA       VAL  46  -6.440 -20.999   1.424
  366    HB   VAL  46           HB       VAL  46  -7.278 -23.345  -0.314
  367   1HG1  VAL  46          HG13      VAL  46  -4.806 -21.589  -0.348
  368   2HG1  VAL  46          HG12      VAL  46  -4.940 -23.121  -1.212
  369   3HG1  VAL  46          HG11      VAL  46  -5.993 -21.772  -1.640
  370   1HG2  VAL  46          HG23      VAL  46  -5.100 -23.022   1.777
  371   2HG2  VAL  46          HG22      VAL  46  -6.565 -23.990   1.950
  372   3HG2  VAL  46          HG21      VAL  46  -5.337 -24.452   0.772
  373    H    LEU  47           HN       LEU  47  -6.596 -19.134   0.243
  374    HA   LEU  47           HA       LEU  47  -8.816 -18.962  -1.755
  375   1HB   LEU  47           HB2      LEU  47  -9.081 -17.387   0.079
  376   2HB   LEU  47           HB1      LEU  47  -7.436 -16.794  -0.152
  377    HG   LEU  47           HG       LEU  47  -9.203 -16.737  -2.539
  378   1HD1  LEU  47          HD11      LEU  47  -9.667 -15.121  -0.046
  379   2HD1  LEU  47          HD13      LEU  47 -10.001 -14.420  -1.629
  380   3HD1  LEU  47          HD12      LEU  47 -10.849 -15.877  -1.113
  381   1HD2  LEU  47          HD22      LEU  47  -6.952 -15.193  -1.310
  382   2HD2  LEU  47          HD21      LEU  47  -7.142 -15.762  -2.968
  383   3HD2  LEU  47          HD23      LEU  47  -8.028 -14.340  -2.417
  384    H    LEU  48           HN       LEU  48  -8.125 -19.025  -3.835
  385    HA   LEU  48           HA       LEU  48  -5.337 -18.157  -4.432
  386   1HB   LEU  48           HB2      LEU  48  -5.723 -20.371  -5.236
  387   2HB   LEU  48           HB1      LEU  48  -7.297 -19.935  -5.901
  388    HG   LEU  48           HG       LEU  48  -6.135 -18.383  -7.491
  389   1HD1  LEU  48          HD11      LEU  48  -3.783 -19.448  -5.983
  390   2HD1  LEU  48          HD13      LEU  48  -3.587 -19.148  -7.710
  391   3HD1  LEU  48          HD12      LEU  48  -4.059 -17.832  -6.634
  392   1HD2  LEU  48          HD22      LEU  48  -5.582 -21.344  -7.452
  393   2HD2  LEU  48          HD21      LEU  48  -6.710 -20.443  -8.465
  394   3HD2  LEU  48          HD23      LEU  48  -4.976 -20.345  -8.773
  395    H    SER  49           HN       SER  49  -5.349 -15.999  -4.919
  396    HA   SER  49           HA       SER  49  -7.603 -14.882  -6.491
  397   1HB   SER  49           HB2      SER  49  -6.467 -13.786  -4.389
  398   2HB   SER  49           HB1      SER  49  -5.229 -13.294  -5.541
  399    HG   SER  49           HG       SER  49  -6.654 -11.689  -5.704
  400    H    THR  50           HN       THR  50  -7.399 -14.210  -8.562
  401    HA   THR  50           HA       THR  50  -4.689 -14.376  -9.807
  402    HB   THR  50           HB       THR  50  -7.264 -15.703 -10.563
  403    HG1  THR  50           HG1      THR  50  -5.407 -17.181 -11.299
  404   1HG2  THR  50          HG22      THR  50  -6.661 -14.250 -12.508
  405   2HG2  THR  50          HG21      THR  50  -5.072 -15.012 -12.551
  406   3HG2  THR  50          HG23      THR  50  -6.517 -15.967 -12.882
  407    H    ARG  51           HN       ARG  51  -4.212 -12.607 -11.048
  408    HA   ARG  51           HA       ARG  51  -6.479 -10.816 -11.830
  409   1HB   ARG  51           HB2      ARG  51  -5.238  -9.800  -9.980
  410   2HB   ARG  51           HB1      ARG  51  -3.719 -10.027 -10.847
  411   1HG   ARG  51           HG2      ARG  51  -4.555  -8.562 -12.666
  412   2HG   ARG  51           HG1      ARG  51  -6.041  -8.300 -11.753
  413   1HD   ARG  51           HD2      ARG  51  -3.234  -7.524 -10.918
  414   2HD   ARG  51           HD1      ARG  51  -4.559  -6.433 -11.323
  415    HE   ARG  51           HE       ARG  51  -5.516  -8.006  -9.215
  416   1HH1  ARG  51          HH11      ARG  51  -3.401  -5.414  -9.906
  417   2HH1  ARG  51          HH12      ARG  51  -3.031  -5.080  -8.247
  418   1HH2  ARG  51          HH21      ARG  51  -4.819  -7.788  -7.026
  419   2HH2  ARG  51          HH22      ARG  51  -3.834  -6.424  -6.617
  420    H    LYS  52           HN       LYS  52  -5.993  -9.488 -13.770
  421    HA   LYS  52           HA       LYS  52  -4.497 -11.073 -15.746
  422   1HB   LYS  52           HB2      LYS  52  -5.402  -9.439 -17.372
  423   2HB   LYS  52           HB1      LYS  52  -6.681 -10.111 -16.359
  424   1HG   LYS  52           HG2      LYS  52  -6.763  -8.143 -14.997
  425   2HG   LYS  52           HG1      LYS  52  -5.278  -7.511 -15.708
  426   1HD   LYS  52           HD2      LYS  52  -6.657  -7.712 -17.962
  427   2HD   LYS  52           HD1      LYS  52  -8.037  -7.619 -16.868
  428   1HE   LYS  52           HE2      LYS  52  -5.821  -5.652 -16.484
  429   2HE   LYS  52           HE1      LYS  52  -6.906  -5.415 -17.854
  430   1HZ   LYS  52           HZ3      LYS  52  -7.831  -5.830 -15.066
  431   2HZ   LYS  52           HZ2      LYS  52  -7.627  -4.300 -15.776
  432   3HZ   LYS  52           HZ1      LYS  52  -8.774  -5.385 -16.403
  433    H    THR  53           HN       THR  53  -2.764 -10.168 -17.033
  434    HA   THR  53           HA       THR  53  -1.554  -7.643 -16.072
  435    HB   THR  53           HB       THR  53   0.705  -8.945 -16.004
  436    HG1  THR  53           HG1      THR  53   0.525 -11.085 -15.618
  437   1HG2  THR  53          HG22      THR  53  -0.724  -7.940 -14.077
  438   2HG2  THR  53          HG21      THR  53  -1.182  -9.612 -13.756
  439   3HG2  THR  53          HG23      THR  53   0.512  -9.130 -13.670
  440    H    GLY  54           HN       GLY  54   0.613  -7.352 -17.462
  441   1HA   GLY  54           HA2      GLY  54  -0.252  -7.510 -20.252
  442   2HA   GLY  54           HA1      GLY  54   1.238  -6.765 -19.670
  443    H    SER  55           HN       SER  55   1.642  -9.439 -18.126
  444    HA   SER  55           HA       SER  55   3.020 -10.780 -20.395
  445   1HB   SER  55           HB2      SER  55   4.599 -11.466 -18.886
  446   2HB   SER  55           HB1      SER  55   3.969 -10.120 -17.940
  447    HG   SER  55           HG       SER  55   4.054 -12.552 -17.167
  448    H    GLY  56           HN       GLY  56   0.556 -11.304 -17.935
  449   1HA   GLY  56           HA2      GLY  56  -0.846 -13.281 -19.347
  450   2HA   GLY  56           HA1      GLY  56   0.306 -14.148 -18.330
  451    H    PHE  57           HN       PHE  57  -0.183 -14.410 -16.178
  452    HA   PHE  57           HA       PHE  57  -2.318 -12.711 -14.994
  453   1HB   PHE  57           HB2      PHE  57  -2.368 -15.699 -15.326
  454   2HB   PHE  57           HB1      PHE  57  -3.182 -14.950 -13.953
  455    HD1  PHE  57           HD2      PHE  57  -3.107 -15.254 -17.629
  456    HD2  PHE  57           HD1      PHE  57  -5.131 -13.527 -14.257
  457    HE1  PHE  57           HE2      PHE  57  -5.023 -14.657 -19.086
  458    HE2  PHE  57           HE1      PHE  57  -7.048 -12.931 -15.713
  459    HZ   PHE  57           HZ       PHE  57  -6.996 -13.498 -18.128
  460    H    SER  58           HN       SER  58  -2.246 -12.678 -12.670
  461    HA   SER  58           HA       SER  58   0.318 -13.733 -11.543
  462   1HB   SER  58           HB2      SER  58  -1.081 -11.113 -11.245
  463   2HB   SER  58           HB1      SER  58  -0.269 -11.760  -9.822
  464    HG   SER  58           HG       SER  58   1.632 -11.623 -10.829
  465    H    TYR  59           HN       TYR  59  -0.226 -15.508 -10.345
  466    HA   TYR  59           HA       TYR  59  -2.849 -15.631  -9.016
  467   1HB   TYR  59           HB2      TYR  59  -0.597 -17.649  -8.901
  468   2HB   TYR  59           HB1      TYR  59  -2.293 -17.922  -8.511
  469    HD1  TYR  59           HD1      TYR  59   0.068 -17.134 -11.271
  470    HD2  TYR  59           HD2      TYR  59  -3.911 -18.358 -10.215
  471    HE1  TYR  59           HE1      TYR  59  -0.392 -17.685 -13.645
  472    HE2  TYR  59           HE2      TYR  59  -4.372 -18.909 -12.588
  473    HH   TYR  59           HH       TYR  59  -3.493 -19.129 -14.627
  474    H    ASN  60           HN       ASN  60  -3.037 -16.101  -6.731
  475    HA   ASN  60           HA       ASN  60  -0.718 -15.456  -5.010
  476   1HB   ASN  60           HB2      ASN  60  -3.028 -13.674  -5.509
  477   2HB   ASN  60           HB1      ASN  60  -2.651 -13.940  -3.806
  478   1HD2  ASN  60          HD22      ASN  60  -0.555 -11.083  -4.991
  479   2HD2  ASN  60          HD21      ASN  60  -2.222 -11.376  -4.857
  480    H    ILE  61           HN       ILE  61  -0.938 -17.626  -4.258
  481    HA   ILE  61           HA       ILE  61  -3.516 -18.581  -3.300
  482    HB   ILE  61           HB       ILE  61  -0.789 -19.765  -2.721
  483   1HG1  ILE  61          HG12      ILE  61  -2.561 -20.619  -5.000
  484   2HG1  ILE  61          HG11      ILE  61  -1.450 -19.265  -5.217
  485   1HG2  ILE  61          HG21      ILE  61  -3.606 -20.879  -2.830
  486   2HG2  ILE  61          HG23      ILE  61  -2.158 -21.872  -2.666
  487   3HG2  ILE  61          HG22      ILE  61  -2.588 -20.721  -1.400
  488   1HD1  ILE  61          HD11      ILE  61  -0.397 -21.781  -3.984
  489   2HD1  ILE  61          HD13      ILE  61  -0.670 -21.752  -5.726
  490   3HD1  ILE  61          HD12      ILE  61   0.435 -20.593  -4.987
  491    H    HIS  62           HN       HIS  62  -4.296 -18.541  -1.281
  492    HA   HIS  62           HA       HIS  62  -2.596 -17.349   0.879
  493   1HB   HIS  62           HB2      HIS  62  -5.593 -17.149   0.450
  494   2HB   HIS  62           HB1      HIS  62  -4.715 -16.489   1.824
  495    HD1  HIS  62           HD1      HIS  62  -3.814 -14.146   1.521
  496    HD2  HIS  62           HD2      HIS  62  -4.721 -15.963  -2.117
  497    HE1  HIS  62           HE1      HIS  62  -3.499 -12.373  -0.261
  498    H    TYR  63           HN       TYR  63  -3.165 -18.144   3.059
  499    HA   TYR  63           HA       TYR  63  -4.780 -20.602   2.965
  500   1HB   TYR  63           HB2      TYR  63  -3.238 -21.873   4.349
  501   2HB   TYR  63           HB1      TYR  63  -2.408 -21.320   2.902
  502    HD1  TYR  63           HD1      TYR  63  -0.705 -19.557   3.019
  503    HD2  TYR  63           HD2      TYR  63  -2.694 -20.982   6.547
  504    HE1  TYR  63           HE1      TYR  63   1.048 -18.514   4.429
  505    HE2  TYR  63           HE2      TYR  63  -0.948 -19.932   7.958
  506    HH   TYR  63           HH       TYR  63   1.925 -19.131   7.018
  507    H    TRP  64           HN       TRP  64  -6.476 -19.795   3.977
  508    HA   TRP  64           HA       TRP  64  -6.310 -18.095   6.330
  509   1HB   TRP  64           HB2      TRP  64  -8.156 -18.207   4.510
  510   2HB   TRP  64           HB1      TRP  64  -8.755 -19.598   5.386
  511    HD1  TRP  64           HD1      TRP  64  -7.549 -16.063   6.487
  512    HE1  TRP  64           HE1      TRP  64  -9.296 -15.148   8.144
  513    HE3  TRP  64           HE3      TRP  64 -10.830 -19.951   6.539
  514    HZ2  TRP  64           HZ2      TRP  64 -11.775 -15.947   9.323
  515    HZ3  TRP  64           HZ3      TRP  64 -12.885 -19.854   7.925
  516    HH2  TRP  64           HH2      TRP  64 -13.356 -17.855   9.313
  517    H    LEU  65           HN       LEU  65  -6.318 -18.756   8.431
  518    HA   LEU  65           HA       LEU  65  -6.713 -21.678   8.918
  519   1HB   LEU  65           HB2      LEU  65  -4.738 -19.699  10.035
  520   2HB   LEU  65           HB1      LEU  65  -5.158 -21.141  10.945
  521    HG   LEU  65           HG       LEU  65  -3.144 -20.987   9.094
  522   1HD1  LEU  65          HD12      LEU  65  -4.344 -22.897  10.758
  523   2HD1  LEU  65          HD11      LEU  65  -4.239 -23.669   9.176
  524   3HD1  LEU  65          HD13      LEU  65  -2.785 -23.034   9.945
  525   1HD2  LEU  65          HD22      LEU  65  -5.521 -22.261   7.709
  526   2HD2  LEU  65          HD21      LEU  65  -4.646 -20.825   7.178
  527   3HD2  LEU  65          HD23      LEU  65  -3.852 -22.396   7.173
  528    H    GLY  66           HN       GLY  66  -9.063 -20.645   9.203
  529   1HA   GLY  66           HA2      GLY  66  -9.768 -19.075  11.433
  530   2HA   GLY  66           HA1      GLY  66 -10.792 -20.367  10.794
  531    H    LYS  67           HN       LYS  67  -8.352 -19.558  13.135
  532    HA   LYS  67           HA       LYS  67  -7.429 -21.839  14.245
  533   1HB   LYS  67           HB2      LYS  67  -7.252 -19.375  15.065
  534   2HB   LYS  67           HB1      LYS  67  -8.618 -19.796  16.099
  535   1HG   LYS  67           HG2      LYS  67  -7.222 -20.815  17.535
  536   2HG   LYS  67           HG1      LYS  67  -6.712 -21.918  16.256
  537   1HD   LYS  67           HD2      LYS  67  -5.571 -19.172  16.174
  538   2HD   LYS  67           HD1      LYS  67  -5.002 -20.226  17.469
  539   1HE   LYS  67           HE2      LYS  67  -4.948 -21.918  15.305
  540   2HE   LYS  67           HE1      LYS  67  -4.499 -20.378  14.572
  541   1HZ   LYS  67           HZ1      LYS  67  -3.166 -20.661  17.031
  542   2HZ   LYS  67           HZ3      LYS  67  -2.909 -22.063  16.112
  543   3HZ   LYS  67           HZ2      LYS  67  -2.502 -20.543  15.472
  544    H    ASN  68           HN       ASN  68  -8.745 -23.585  14.050
  545    HA   ASN  68           HA       ASN  68 -10.508 -24.078  16.310
  546   1HB   ASN  68           HB2      ASN  68 -11.565 -23.376  13.674
  547   2HB   ASN  68           HB1      ASN  68 -12.252 -24.853  14.347
  548   1HD2  ASN  68          HD22      ASN  68 -14.041 -23.166  16.906
  549   2HD2  ASN  68          HD21      ASN  68 -13.558 -24.668  16.280
  550    H    SER  69           HN       SER  69  -9.540 -25.151  13.055
  551    HA   SER  69           HA       SER  69  -9.917 -27.946  13.497
  552   1HB   SER  69           HB2      SER  69  -8.369 -28.242  11.596
  553   2HB   SER  69           HB1      SER  69  -9.541 -26.971  11.262
  554    HG   SER  69           HG       SER  69  -8.000 -25.454  11.624
  555    H    SER  70           HN       SER  70  -7.307 -29.009  12.912
  556    HA   SER  70           HA       SER  70  -5.996 -28.541  15.558
  557   1HB   SER  70           HB2      SER  70  -4.970 -30.915  14.716
  558   2HB   SER  70           HB1      SER  70  -6.416 -30.779  15.712
  559    HG   SER  70           HG       SER  70  -7.041 -31.971  13.996
  560    H    GLN  71           HN       GLN  71  -3.571 -28.952  15.500
  561    HA   GLN  71           HA       GLN  71  -2.234 -27.194  13.801
  562   1HB   GLN  71           HB2      GLN  71  -1.493 -29.058  15.775
  563   2HB   GLN  71           HB1      GLN  71  -0.547 -29.488  14.349
  564   1HG   GLN  71           HG2      GLN  71   0.173 -27.118  14.139
  565   2HG   GLN  71           HG1      GLN  71  -0.716 -26.737  15.615
  566   1HE2  GLN  71          HE22      GLN  71   2.845 -27.474  16.538
  567   2HE2  GLN  71          HE21      GLN  71   2.093 -26.337  15.526
  568    H    ASP  72           HN       ASP  72  -2.720 -30.700  13.315
  569    HA   ASP  72           HA       ASP  72  -1.301 -30.942  10.880
  570   1HB   ASP  72           HB2      ASP  72  -2.602 -32.944  10.483
  571   2HB   ASP  72           HB1      ASP  72  -2.304 -32.839  12.218
  572    H    GLU  73           HN       GLU  73  -4.665 -29.923  11.466
  573    HA   GLU  73           HA       GLU  73  -5.491 -29.760   8.763
  574   1HB   GLU  73           HB2      GLU  73  -6.761 -29.239  11.047
  575   2HB   GLU  73           HB1      GLU  73  -6.288 -27.584  10.661
  576   1HG   GLU  73           HG2      GLU  73  -8.528 -28.173   9.732
  577   2HG   GLU  73           HG1      GLU  73  -7.367 -27.743   8.476
  578    H    GLN  74           HN       GLN  74  -3.661 -27.465  10.766
  579    HA   GLN  74           HA       GLN  74  -3.523 -25.359   8.847
  580   1HB   GLN  74           HB2      GLN  74  -2.763 -24.871  11.063
  581   2HB   GLN  74           HB1      GLN  74  -1.638 -26.230  11.051
  582   1HG   GLN  74           HG2      GLN  74  -0.134 -25.143   9.625
  583   2HG   GLN  74           HG1      GLN  74  -1.368 -24.048   9.001
  584   1HE2  GLN  74          HE22      GLN  74  -0.567 -23.093  12.873
  585   2HE2  GLN  74          HE21      GLN  74  -1.221 -24.605  12.464
  586    H    GLY  75           HN       GLY  75  -1.654 -28.332   9.283
  587   1HA   GLY  75           HA2      GLY  75   0.298 -27.716   7.233
  588   2HA   GLY  75           HA1      GLY  75  -0.019 -29.318   7.906
  589    H    ALA  76           HN       ALA  76  -2.952 -28.996   7.245
  590    HA   ALA  76           HA       ALA  76  -2.818 -30.162   4.585
  591   1HB   ALA  76           HB2      ALA  76  -4.516 -30.682   6.470
  592   2HB   ALA  76           HB1      ALA  76  -5.341 -29.214   5.945
  593   3HB   ALA  76           HB3      ALA  76  -5.139 -30.561   4.824
  594    H    ALA  77           HN       ALA  77  -4.710 -27.341   5.745
  595    HA   ALA  77           HA       ALA  77  -5.330 -26.220   3.281
  596   1HB   ALA  77           HB2      ALA  77  -5.826 -25.391   5.728
  597   2HB   ALA  77           HB1      ALA  77  -4.382 -24.408   5.481
  598   3HB   ALA  77           HB3      ALA  77  -5.770 -24.223   4.408
  599    H    ALA  78           HN       ALA  78  -2.257 -26.008   5.035
  600    HA   ALA  78           HA       ALA  78  -1.055 -24.138   3.176
  601   1HB   ALA  78           HB1      ALA  78   0.234 -26.071   5.128
  602   2HB   ALA  78           HB3      ALA  78   1.065 -24.756   4.297
  603   3HB   ALA  78           HB2      ALA  78  -0.202 -24.396   5.471
  604    H    ILE  79           HN       ILE  79  -1.099 -27.676   3.476
  605    HA   ILE  79           HA       ILE  79   0.844 -28.232   1.468
  606    HB   ILE  79           HB       ILE  79  -1.537 -29.793   2.490
  607   1HG1  ILE  79          HG12      ILE  79   1.332 -30.621   2.700
  608   2HG1  ILE  79          HG11      ILE  79   0.775 -29.299   3.725
  609   1HG2  ILE  79          HG21      ILE  79   0.514 -30.551   0.390
  610   2HG2  ILE  79          HG23      ILE  79  -0.460 -31.736   1.258
  611   3HG2  ILE  79          HG22      ILE  79  -1.241 -30.545   0.218
  612   1HD1  ILE  79          HD12      ILE  79  -1.259 -31.066   4.072
  613   2HD1  ILE  79          HD11      ILE  79   0.084 -32.179   3.816
  614   3HD1  ILE  79          HD13      ILE  79   0.156 -30.997   5.122
  615    H    TYR  80           HN       TYR  80  -2.732 -28.010   1.192
  616    HA   TYR  80           HA       TYR  80  -2.864 -28.445  -1.606
  617   1HB   TYR  80           HB2      TYR  80  -4.626 -26.645   0.089
  618   2HB   TYR  80           HB1      TYR  80  -5.033 -27.279  -1.507
  619    HD1  TYR  80           HD1      TYR  80  -5.240 -29.772  -1.837
  620    HD2  TYR  80           HD2      TYR  80  -4.879 -27.980   2.050
  621    HE1  TYR  80           HE1      TYR  80  -6.080 -31.860  -0.797
  622    HE2  TYR  80           HE2      TYR  80  -5.719 -30.069   3.090
  623    HH   TYR  80           HH       TYR  80  -5.667 -32.749   2.130
  624    H    THR  81           HN       THR  81  -2.434 -25.423   0.236
  625    HA   THR  81           HA       THR  81  -2.345 -23.690  -2.050
  626    HB   THR  81           HB       THR  81  -1.264 -23.478   0.767
  627    HG1  THR  81           HG1      THR  81  -3.101 -22.524   1.075
  628   1HG2  THR  81          HG22      THR  81  -0.624 -21.838  -1.601
  629   2HG2  THR  81          HG21      THR  81  -1.174 -20.922  -0.198
  630   3HG2  THR  81          HG23      THR  81   0.229 -21.980  -0.065
  631    H    THR  82           HN       THR  82  -0.056 -25.862  -0.604
  632    HA   THR  82           HA       THR  82   2.262 -24.704  -1.984
  633    HB   THR  82           HB       THR  82   1.807 -27.116  -0.227
  634    HG1  THR  82           HG1      THR  82   2.182 -24.927   0.567
  635   1HG2  THR  82          HG21      THR  82   4.326 -26.423  -1.764
  636   2HG2  THR  82          HG23      THR  82   4.228 -27.624  -0.476
  637   3HG2  THR  82          HG22      THR  82   3.337 -27.867  -1.979
  638    H    GLN  83           HN       GLN  83  -0.210 -27.033  -2.634
  639    HA   GLN  83           HA       GLN  83   1.338 -28.422  -4.712
  640   1HB   GLN  83           HB2      GLN  83  -1.533 -28.588  -3.774
  641   2HB   GLN  83           HB1      GLN  83  -0.947 -29.485  -5.176
  642   1HG   GLN  83           HG2      GLN  83   0.992 -30.077  -3.353
  643   2HG   GLN  83           HG1      GLN  83  -0.414 -29.924  -2.299
  644   1HE2  GLN  83          HE22      GLN  83  -0.155 -33.425  -3.789
  645   2HE2  GLN  83          HE21      GLN  83   1.002 -32.442  -3.031
  646    H    MET  84           HN       MET  84  -1.077 -25.865  -4.484
  647    HA   MET  84           HA       MET  84  -1.388 -25.752  -7.412
  648   1HB   MET  84           HB2      MET  84  -2.841 -23.766  -6.876
  649   2HB   MET  84           HB1      MET  84  -3.357 -25.258  -6.090
  650   1HG   MET  84           HG2      MET  84  -2.420 -24.592  -3.996
  651   2HG   MET  84           HG1      MET  84  -1.536 -23.258  -4.738
  652   1HE   MET  84           HE3      MET  84  -4.927 -24.749  -3.720
  653   2HE   MET  84           HE2      MET  84  -6.104 -23.576  -4.304
  654   3HE   MET  84           HE1      MET  84  -5.159 -24.513  -5.458
  655    H    ASP  85           HN       ASP  85   0.623 -24.372  -4.980
  656    HA   ASP  85           HA       ASP  85   1.258 -21.890  -6.298
  657   1HB   ASP  85           HB2      ASP  85   1.764 -22.609  -3.862
  658   2HB   ASP  85           HB1      ASP  85   3.175 -23.421  -4.540
  659    H    GLU  86           HN       GLU  86   2.668 -25.150  -6.422
  660    HA   GLU  86           HA       GLU  86   4.670 -24.253  -8.401
  661   1HB   GLU  86           HB2      GLU  86   4.208 -26.694  -6.764
  662   2HB   GLU  86           HB1      GLU  86   4.982 -26.936  -8.330
  663   1HG   GLU  86           HG2      GLU  86   6.665 -25.208  -7.750
  664   2HG   GLU  86           HG1      GLU  86   5.910 -25.025  -6.166
  665    H    TYR  87           HN       TYR  87   1.733 -26.231  -8.236
  666    HA   TYR  87           HA       TYR  87   1.867 -27.194 -10.944
  667   1HB   TYR  87           HB2      TYR  87  -0.219 -27.030  -8.817
  668   2HB   TYR  87           HB1      TYR  87  -0.775 -27.249 -10.476
  669    HD1  TYR  87           HD1      TYR  87   1.886 -28.563  -8.172
  670    HD2  TYR  87           HD2      TYR  87  -0.950 -29.425 -11.282
  671    HE1  TYR  87           HE1      TYR  87   2.495 -30.965  -8.062
  672    HE2  TYR  87           HE2      TYR  87  -0.341 -31.827 -11.171
  673    HH   TYR  87           HH       TYR  87   1.527 -33.133  -8.623
  674    H    LEU  88           HN       LEU  88   1.114 -24.121  -9.602
  675    HA   LEU  88           HA       LEU  88  -0.560 -23.240 -11.839
  676   1HB   LEU  88           HB2      LEU  88   0.600 -21.958  -9.386
  677   2HB   LEU  88           HB1      LEU  88   0.030 -20.930 -10.701
  678    HG   LEU  88           HG       LEU  88  -1.668 -23.149  -9.548
  679   1HD1  LEU  88          HD12      LEU  88  -0.875 -21.237  -7.916
  680   2HD1  LEU  88          HD11      LEU  88  -2.038 -20.261  -8.812
  681   3HD1  LEU  88          HD13      LEU  88  -2.575 -21.706  -7.956
  682   1HD2  LEU  88          HD21      LEU  88  -2.201 -22.174 -11.806
  683   2HD2  LEU  88          HD23      LEU  88  -3.476 -21.925 -10.613
  684   3HD2  LEU  88          HD22      LEU  88  -2.388 -20.601 -11.030
  685    H    GLY  89           HN       GLY  89   2.833 -23.325 -11.059
  686   1HA   GLY  89           HA2      GLY  89   4.271 -23.167 -13.152
  687   2HA   GLY  89           HA1      GLY  89   3.389 -21.679 -13.495
  688    H    SER  90           HN       SER  90   3.838 -22.000 -10.178
  689    HA   SER  90           HA       SER  90   5.406 -21.083  -8.672
  690   1HB   SER  90           HB2      SER  90   6.982 -21.821 -10.863
  691   2HB   SER  90           HB1      SER  90   7.374 -20.126 -10.592
  692    HG   SER  90           HG       SER  90   8.625 -21.635  -9.326
  693    H    VAL  91           HN       VAL  91   3.768 -19.549 -11.100
  694    HA   VAL  91           HA       VAL  91   4.845 -16.851 -10.670
  695    HB   VAL  91           HB       VAL  91   2.945 -16.158 -12.132
  696   1HG1  VAL  91          HG11      VAL  91   5.214 -17.173 -12.934
  697   2HG1  VAL  91          HG13      VAL  91   4.240 -18.574 -13.378
  698   3HG1  VAL  91          HG12      VAL  91   3.904 -17.002 -14.103
  699   1HG2  VAL  91          HG22      VAL  91   1.612 -18.274 -11.198
  700   2HG2  VAL  91          HG21      VAL  91   1.279 -17.620 -12.802
  701   3HG2  VAL  91          HG23      VAL  91   2.311 -19.040 -12.624
  702    H    ALA  92           HN       ALA  92   2.652 -18.917  -9.096
  703    HA   ALA  92           HA       ALA  92   0.871 -16.846  -8.064
  704   1HB   ALA  92           HB2      ALA  92   0.337 -19.348  -8.315
  705   2HB   ALA  92           HB1      ALA  92   1.315 -19.588  -6.867
  706   3HB   ALA  92           HB3      ALA  92  -0.138 -18.591  -6.795
  707    H    VAL  93           HN       VAL  93   0.703 -16.718  -5.545
  708    HA   VAL  93           HA       VAL  93   3.454 -16.591  -4.378
  709    HB   VAL  93           HB       VAL  93   1.280 -14.587  -3.754
  710   1HG1  VAL  93          HG13      VAL  93   4.137 -15.010  -3.089
  711   2HG1  VAL  93          HG12      VAL  93   3.679 -13.346  -3.454
  712   3HG1  VAL  93          HG11      VAL  93   2.868 -14.220  -2.154
  713   1HG2  VAL  93          HG22      VAL  93   1.748 -14.506  -6.185
  714   2HG2  VAL  93          HG21      VAL  93   2.358 -13.068  -5.366
  715   3HG2  VAL  93          HG23      VAL  93   3.471 -14.351  -5.842
  716    H    GLN  94           HN       GLN  94   3.146 -16.235  -1.843
  717    HA   GLN  94           HA       GLN  94   0.910 -18.012  -0.968
  718   1HB   GLN  94           HB2      GLN  94   3.456 -18.832  -0.918
  719   2HB   GLN  94           HB1      GLN  94   3.457 -17.928   0.597
  720   1HG   GLN  94           HG2      GLN  94   1.383 -19.205   1.263
  721   2HG   GLN  94           HG1      GLN  94   1.621 -20.213  -0.165
  722   1HE2  GLN  94          HE22      GLN  94   3.388 -21.660   2.894
  723   2HE2  GLN  94          HE21      GLN  94   1.812 -21.060   2.694
  724    H    HIS  95           HN       HIS  95  -0.312 -17.199   0.690
  725    HA   HIS  95           HA       HIS  95   0.765 -14.827   2.159
  726   1HB   HIS  95           HB2      HIS  95  -2.150 -15.132   1.467
  727   2HB   HIS  95           HB1      HIS  95  -1.269 -13.669   1.904
  728    HD1  HIS  95           HD1      HIS  95   0.506 -12.792   0.071
  729    HD2  HIS  95           HD2      HIS  95  -2.181 -15.682  -1.261
  730    HE1  HIS  95           HE1      HIS  95   0.616 -12.760  -2.462
  731    H    ARG  96           HN       ARG  96  -0.009 -14.622   4.348
  732    HA   ARG  96           HA       ARG  96  -1.062 -17.196   5.442
  733   1HB   ARG  96           HB2      ARG  96   1.147 -16.648   6.291
  734   2HB   ARG  96           HB1      ARG  96   0.615 -15.024   6.727
  735   1HG   ARG  96           HG2      ARG  96  -0.965 -15.942   8.355
  736   2HG   ARG  96           HG1      ARG  96  -0.524 -17.584   7.887
  737   1HD   ARG  96           HD2      ARG  96   1.554 -17.468   8.912
  738   2HD   ARG  96           HD1      ARG  96   1.649 -15.714   8.752
  739    HE   ARG  96           HE       ARG  96  -0.492 -16.260  10.512
  740   1HH1  ARG  96          HH21      ARG  96   1.275 -18.425  11.515
  741   2HH1  ARG  96          HH22      ARG  96   2.256 -17.602  12.682
  742   1HH2  ARG  96          HH11      ARG  96   1.481 -14.438  11.495
  743   2HH2  ARG  96          HH12      ARG  96   2.373 -15.345  12.671
  744    H    GLU  97           HN       GLU  97  -3.009 -17.176   6.482
  745    HA   GLU  97           HA       GLU  97  -4.036 -14.591   7.521
  746   1HB   GLU  97           HB2      GLU  97  -5.733 -16.404   5.791
  747   2HB   GLU  97           HB1      GLU  97  -6.163 -14.817   6.434
  748   1HG   GLU  97           HG2      GLU  97  -3.815 -15.242   4.572
  749   2HG   GLU  97           HG1      GLU  97  -5.433 -14.850   3.990
  750    H    VAL  98           HN       VAL  98  -5.953 -14.964   8.967
  751    HA   VAL  98           HA       VAL  98  -6.330 -17.711   9.973
  752    HB   VAL  98           HB       VAL  98  -5.433 -15.601  11.928
  753   1HG1  VAL  98          HG13      VAL  98  -6.285 -18.279  12.093
  754   2HG1  VAL  98          HG12      VAL  98  -4.544 -18.320  12.367
  755   3HG1  VAL  98          HG11      VAL  98  -5.574 -17.313  13.385
  756   1HG2  VAL  98          HG22      VAL  98  -3.673 -15.733  10.192
  757   2HG2  VAL  98          HG21      VAL  98  -3.122 -16.428  11.715
  758   3HG2  VAL  98          HG23      VAL  98  -3.616 -17.483  10.392
  759    H    GLN  99           HN       GLN  99  -7.616 -17.007  12.400
  760    HA   GLN  99           HA       GLN  99 -10.094 -15.909  11.364
  761   1HB   GLN  99           HB2      GLN  99 -11.031 -16.405  13.520
  762   2HB   GLN  99           HB1      GLN  99  -9.929 -17.726  13.131
  763   1HG   GLN  99           HG2      GLN  99  -8.214 -16.828  14.552
  764   2HG   GLN  99           HG1      GLN  99  -9.097 -15.316  14.763
  765   1HE2  GLN  99          HE22      GLN  99 -10.980 -16.541  17.468
  766   2HE2  GLN  99          HE21      GLN  99 -10.481 -15.203  16.550
  767    H    GLY 100           HN       GLY 100  -7.363 -14.420  12.177
  768   1HA   GLY 100           HA2      GLY 100  -8.736 -11.867  12.689
  769   2HA   GLY 100           HA1      GLY 100  -7.584 -12.386  13.925
  770    H    HIS 101           HN       HIS 101  -6.954 -13.381  10.704
  771    HA   HIS 101           HA       HIS 101  -4.835 -11.285  10.447
  772   1HB   HIS 101           HB2      HIS 101  -4.768 -14.242  10.208
  773   2HB   HIS 101           HB1      HIS 101  -3.853 -13.358   8.996
  774    HD1  HIS 101           HD1      HIS 101  -2.247 -11.371  10.121
  775    HD2  HIS 101           HD2      HIS 101  -3.357 -14.568  12.556
  776    HE1  HIS 101           HE1      HIS 101  -0.624 -11.388  12.065
  777    H    GLU 102           HN       GLU 102  -7.487 -12.948   8.991
  778    HA   GLU 102           HA       GLU 102  -6.800 -12.049   6.268
  779   1HB   GLU 102           HB2      GLU 102  -8.364 -13.576   5.540
  780   2HB   GLU 102           HB1      GLU 102  -8.022 -14.277   7.113
  781   1HG   GLU 102           HG2      GLU 102 -10.380 -12.536   6.350
  782   2HG   GLU 102           HG1      GLU 102 -10.405 -14.197   6.932
  783    H    SER 103           HN       SER 103  -7.437 -10.193   8.560
  784    HA   SER 103           HA       SER 103  -9.944  -9.023   8.495
  785   1HB   SER 103           HB2      SER 103  -8.663  -6.829   8.931
  786   2HB   SER 103           HB1      SER 103  -8.412  -8.161  10.055
  787    HG   SER 103           HG       SER 103  -6.456  -7.144   9.287
  788    H    GLU 104           HN       GLU 104  -7.904  -6.626   7.144
  789    HA   GLU 104           HA       GLU 104  -9.774  -6.058   5.050
  790   1HB   GLU 104           HB2      GLU 104  -6.974  -5.070   5.614
  791   2HB   GLU 104           HB1      GLU 104  -7.955  -4.457   4.282
  792   1HG   GLU 104           HG2      GLU 104  -9.547  -3.508   5.717
  793   2HG   GLU 104           HG1      GLU 104  -9.081  -4.539   7.071
  794    H    THR 105           HN       THR 105  -7.091  -8.237   5.149
  795    HA   THR 105           HA       THR 105  -6.486  -8.139   2.313
  796    HB   THR 105           HB       THR 105  -6.023 -10.582   4.006
  797    HG1  THR 105           HG1      THR 105  -4.405  -8.266   4.072
  798   1HG2  THR 105          HG22      THR 105  -5.341 -10.498   1.608
  799   2HG2  THR 105          HG21      THR 105  -4.310  -9.117   1.982
  800   3HG2  THR 105          HG23      THR 105  -3.970 -10.692   2.700
  801    H    PHE 106           HN       PHE 106  -8.248 -10.550   4.294
  802    HA   PHE 106           HA       PHE 106  -9.205 -12.058   2.059
  803   1HB   PHE 106           HB2      PHE 106  -9.351 -12.263   4.816
  804   2HB   PHE 106           HB1      PHE 106 -11.021 -11.953   4.361
  805    HD1  PHE 106           HD2      PHE 106  -8.391 -13.713   2.390
  806    HD2  PHE 106           HD1      PHE 106 -12.051 -14.083   4.608
  807    HE1  PHE 106           HE2      PHE 106  -8.604 -16.068   1.645
  808    HE2  PHE 106           HE1      PHE 106 -12.262 -16.441   3.865
  809    HZ   PHE 106           HZ       PHE 106 -10.534 -17.435   2.387
  810    H    ARG 107           HN       ARG 107 -10.897  -9.646   4.100
  811    HA   ARG 107           HA       ARG 107 -13.227  -9.453   2.486
  812   1HB   ARG 107           HB2      ARG 107 -12.666  -8.416   4.840
  813   2HB   ARG 107           HB1      ARG 107 -12.105  -7.041   3.889
  814   1HG   ARG 107           HG2      ARG 107 -14.219  -6.532   3.115
  815   2HG   ARG 107           HG1      ARG 107 -14.768  -8.206   3.204
  816   1HD   ARG 107           HD2      ARG 107 -15.884  -6.928   4.947
  817   2HD   ARG 107           HD1      ARG 107 -14.734  -8.032   5.701
  818    HE   ARG 107           HE       ARG 107 -13.222  -6.097   6.026
  819   1HH1  ARG 107          HH21      ARG 107 -16.526  -5.721   6.325
  820   2HH1  ARG 107          HH22      ARG 107 -16.518  -3.989   6.299
  821   1HH2  ARG 107          HH11      ARG 107 -13.170  -3.752   5.431
  822   2HH2  ARG 107          HH12      ARG 107 -14.618  -2.874   5.793
  823    H    ALA 108           HN       ALA 108 -10.025  -8.043   2.145
  824    HA   ALA 108           HA       ALA 108 -10.562  -5.965   0.314
  825   1HB   ALA 108           HB1      ALA 108  -8.242  -7.639   0.989
  826   2HB   ALA 108           HB3      ALA 108  -8.243  -7.090  -0.685
  827   3HB   ALA 108           HB2      ALA 108  -8.312  -5.916   0.629
  828    H    TYR 109           HN       TYR 109  -9.827  -9.395  -0.388
  829    HA   TYR 109           HA       TYR 109 -10.409  -9.191  -3.197
  830   1HB   TYR 109           HB2      TYR 109 -10.606 -11.624  -1.391
  831   2HB   TYR 109           HB1      TYR 109 -10.496 -11.645  -3.151
  832    HD1  TYR 109           HD2      TYR 109  -8.485  -9.734  -3.846
  833    HD2  TYR 109           HD1      TYR 109  -8.601 -12.379  -0.464
  834    HE1  TYR 109           HE2      TYR 109  -6.011  -9.650  -3.695
  835    HE2  TYR 109           HE1      TYR 109  -6.128 -12.295  -0.313
  836    HH   TYR 109           HH       TYR 109  -4.195 -10.607  -2.752
  837    H    PHE 110           HN       PHE 110 -12.385  -9.461  -0.358
  838    HA   PHE 110           HA       PHE 110 -14.791  -9.986  -2.048
  839   1HB   PHE 110           HB2      PHE 110 -14.341 -10.250   0.938
  840   2HB   PHE 110           HB1      PHE 110 -15.910 -10.454   0.158
  841    HD1  PHE 110           HD2      PHE 110 -12.367 -11.632  -0.206
  842    HD2  PHE 110           HD1      PHE 110 -16.541 -12.598  -0.488
  843    HE1  PHE 110           HE2      PHE 110 -11.786 -13.977  -0.755
  844    HE2  PHE 110           HE1      PHE 110 -15.960 -14.945  -1.038
  845    HZ   PHE 110           HZ       PHE 110 -13.581 -15.630  -1.171
  846    H    LYS 111           HN       LYS 111 -15.198  -7.873  -2.784
  847    HA   LYS 111           HA       LYS 111 -15.264  -5.636  -0.887
  848   1HB   LYS 111           HB2      LYS 111 -16.248  -5.736  -3.755
  849   2HB   LYS 111           HB1      LYS 111 -15.899  -4.289  -2.809
  850   1HG   LYS 111           HG2      LYS 111 -13.517  -5.260  -2.557
  851   2HG   LYS 111           HG1      LYS 111 -13.960  -6.334  -3.885
  852   1HD   LYS 111           HD2      LYS 111 -13.854  -3.310  -3.908
  853   2HD   LYS 111           HD1      LYS 111 -12.920  -4.432  -4.898
  854   1HE   LYS 111           HE2      LYS 111 -15.188  -5.248  -5.805
  855   2HE   LYS 111           HE1      LYS 111 -15.865  -3.791  -5.078
  856   1HZ   LYS 111           HZ1      LYS 111 -13.811  -2.739  -6.350
  857   2HZ   LYS 111           HZ3      LYS 111 -14.081  -4.071  -7.364
  858   3HZ   LYS 111           HZ2      LYS 111 -15.327  -2.950  -7.087
  859    H    GLN 112           HN       GLN 112 -16.911  -6.913   0.472
  860    HA   GLN 112           HA       GLN 112 -19.521  -5.771   0.102
  861   1HB   GLN 112           HB2      GLN 112 -19.029  -8.228  -1.292
  862   2HB   GLN 112           HB1      GLN 112 -20.170  -8.543   0.015
  863   1HG   GLN 112           HG2      GLN 112 -21.382  -6.403  -0.806
  864   2HG   GLN 112           HG1      GLN 112 -20.434  -6.606  -2.280
  865   1HE2  GLN 112          HE22      GLN 112 -23.350  -8.553  -3.155
  866   2HE2  GLN 112          HE21      GLN 112 -22.741  -6.969  -3.207
  867    H    GLY 113           HN       GLY 113 -18.744  -9.035   1.302
  868   1HA   GLY 113           HA2      GLY 113 -18.322  -8.292   4.027
  869   2HA   GLY 113           HA1      GLY 113 -20.028  -8.684   3.802
  870    H    LEU 114           HN       LEU 114 -17.364 -10.053   4.939
  871    HA   LEU 114           HA       LEU 114 -17.676 -12.666   3.563
  872   1HB   LEU 114           HB2      LEU 114 -15.686 -11.728   5.653
  873   2HB   LEU 114           HB1      LEU 114 -15.681 -13.323   4.901
  874    HG   LEU 114           HG       LEU 114 -15.356 -10.671   3.466
  875   1HD1  LEU 114          HD11      LEU 114 -13.498 -12.774   4.468
  876   2HD1  LEU 114          HD13      LEU 114 -13.147 -12.092   2.880
  877   3HD1  LEU 114          HD12      LEU 114 -13.240 -11.038   4.292
  878   1HD2  LEU 114          HD22      LEU 114 -16.230 -13.263   2.546
  879   2HD2  LEU 114          HD21      LEU 114 -16.026 -11.776   1.620
  880   3HD2  LEU 114          HD23      LEU 114 -14.665 -12.877   1.831
  881    H    ILE 115           HN       ILE 115 -19.107 -14.090   4.421
  882    HA   ILE 115           HA       ILE 115 -20.022 -13.739   7.207
  883    HB   ILE 115           HB       ILE 115 -20.925 -15.382   4.851
  884   1HG1  ILE 115          HG12      ILE 115 -22.137 -13.353   6.735
  885   2HG1  ILE 115          HG11      ILE 115 -21.943 -13.239   4.985
  886   1HG2  ILE 115          HG22      ILE 115 -20.871 -16.945   6.779
  887   2HG2  ILE 115          HG21      ILE 115 -21.826 -15.801   7.721
  888   3HG2  ILE 115          HG23      ILE 115 -22.525 -16.571   6.297
  889   1HD1  ILE 115          HD11      ILE 115 -23.742 -15.227   6.405
  890   2HD1  ILE 115          HD13      ILE 115 -24.293 -13.742   5.629
  891   3HD1  ILE 115          HD12      ILE 115 -23.582 -15.033   4.659
  892    H    TYR 116           HN       TYR 116 -20.165 -15.790   8.574
  893    HA   TYR 116           HA       TYR 116 -17.999 -17.725   7.983
  894   1HB   TYR 116           HB2      TYR 116 -18.180 -16.595  10.758
  895   2HB   TYR 116           HB1      TYR 116 -16.809 -17.355   9.949
  896    HD1  TYR 116           HD1      TYR 116 -18.895 -14.278  10.066
  897    HD2  TYR 116           HD2      TYR 116 -15.263 -16.085   8.655
  898    HE1  TYR 116           HE1      TYR 116 -18.051 -12.049   9.380
  899    HE2  TYR 116           HE2      TYR 116 -14.419 -13.857   7.969
  900    HH   TYR 116           HH       TYR 116 -14.925 -11.377   8.766
  901    H    LYS 117           HN       LYS 117 -19.310 -19.516   7.868
  902    HA   LYS 117           HA       LYS 117 -21.554 -19.881   9.705
  903   1HB   LYS 117           HB2      LYS 117 -20.301 -21.614   7.568
  904   2HB   LYS 117           HB1      LYS 117 -21.635 -22.175   8.575
  905   1HG   LYS 117           HG2      LYS 117 -21.631 -19.794   6.702
  906   2HG   LYS 117           HG1      LYS 117 -22.591 -21.266   6.554
  907   1HD   LYS 117           HD2      LYS 117 -23.289 -20.437   9.063
  908   2HD   LYS 117           HD1      LYS 117 -23.037 -18.891   8.252
  909   1HE   LYS 117           HE2      LYS 117 -24.625 -19.438   6.534
  910   2HE   LYS 117           HE1      LYS 117 -24.725 -21.113   7.078
  911   1HZ   LYS 117           HZ2      LYS 117 -25.288 -19.419   9.243
  912   2HZ   LYS 117           HZ1      LYS 117 -26.250 -18.938   7.928
  913   3HZ   LYS 117           HZ3      LYS 117 -26.315 -20.539   8.484
  914    H    GLN 118           HN       GLN 118 -21.453 -22.525  10.437
  915    HA   GLN 118           HA       GLN 118 -19.309 -22.484  12.473
  916   1HB   GLN 118           HB2      GLN 118 -21.917 -23.182  12.664
  917   2HB   GLN 118           HB1      GLN 118 -21.207 -24.764  12.338
  918   1HG   GLN 118           HG2      GLN 118 -20.805 -24.813  14.574
  919   2HG   GLN 118           HG1      GLN 118 -19.455 -23.746  14.188
  920   1HE2  GLN 118          HE22      GLN 118 -21.964 -22.268  16.739
  921   2HE2  GLN 118          HE21      GLN 118 -21.419 -23.868  16.592
  922    H    GLY 119           HN       GLY 119 -17.542 -23.827  12.405
  923   1HA   GLY 119           HA2      GLY 119 -16.893 -25.242   9.993
  924   2HA   GLY 119           HA1      GLY 119 -15.998 -25.355  11.509
  925    H    GLY 120           HN       GLY 120 -15.811 -27.693  11.013
  926   1HA   GLY 120           HA2      GLY 120 -16.535 -29.928  11.153
  927   2HA   GLY 120           HA1      GLY 120 -17.498 -29.337  12.508
  928    H    VAL 121           HN       VAL 121 -17.579 -29.269   8.925
  929    HA   VAL 121           HA       VAL 121 -20.520 -29.228   9.027
  930    HB   VAL 121           HB       VAL 121 -18.978 -27.894   7.406
  931   1HG1  VAL 121          HG11      VAL 121 -17.806 -30.057   6.698
  932   2HG1  VAL 121          HG13      VAL 121 -19.267 -30.422   5.782
  933   3HG1  VAL 121          HG12      VAL 121 -18.321 -28.984   5.397
  934   1HG2  VAL 121          HG23      VAL 121 -21.437 -29.425   6.527
  935   2HG2  VAL 121          HG22      VAL 121 -21.381 -27.801   7.213
  936   3HG2  VAL 121          HG21      VAL 121 -20.736 -28.100   5.599
  937    H    ALA 122           HN       ALA 122 -18.249 -31.532   9.210
  938    HA   ALA 122           HA       ALA 122 -19.602 -33.534   7.509
  939   1HB   ALA 122           HB1      ALA 122 -17.079 -33.496   9.143
  940   2HB   ALA 122           HB3      ALA 122 -17.779 -35.035   8.642
  941   3HB   ALA 122           HB2      ALA 122 -17.286 -33.854   7.429
  942    H    SER 123           HN       SER 123 -20.313 -32.242  10.407
  943    HA   SER 123           HA       SER 123 -20.657 -34.547  12.092
  944   1HB   SER 123           HB2      SER 123 -22.542 -32.879  13.035
  945   2HB   SER 123           HB1      SER 123 -20.829 -32.640  13.365
  946    HG   SER 123           HG       SER 123 -22.556 -31.150  11.875
  947    H    GLY 124           HN       GLY 124 -23.313 -32.605  10.718
  948   1HA   GLY 124           HA2      GLY 124 -25.488 -33.323  10.128
  949   2HA   GLY 124           HA1      GLY 124 -24.587 -34.419   9.080
  950    H    MET 125           HN       MET 125 -24.277 -34.619  12.558
  951    HA   MET 125           HA       MET 125 -26.256 -36.779  12.786
  952   1HB   MET 125           HB2      MET 125 -23.279 -37.310  13.035
  953   2HB   MET 125           HB1      MET 125 -24.534 -38.429  13.566
  954   1HG   MET 125           HG2      MET 125 -24.208 -37.397  10.733
  955   2HG   MET 125           HG1      MET 125 -23.706 -38.990  11.296
  956   1HE   MET 125           HE2      MET 125 -24.631 -40.357  10.065
  957   2HE   MET 125           HE1      MET 125 -26.285 -40.959  10.124
  958   3HE   MET 125           HE3      MET 125 -25.838 -39.704   8.960
  959    H    LYS 126           HN       LYS 126 -23.249 -35.914  14.525
  960    HA   LYS 126           HA       LYS 126 -24.242 -36.191  17.125
  961   1HB   LYS 126           HB2      LYS 126 -22.332 -33.996  16.281
  962   2HB   LYS 126           HB1      LYS 126 -22.424 -34.792  17.852
  963   1HG   LYS 126           HG2      LYS 126 -21.515 -35.988  15.225
  964   2HG   LYS 126           HG1      LYS 126 -20.577 -35.796  16.706
  965   1HD   LYS 126           HD2      LYS 126 -22.127 -37.366  17.859
  966   2HD   LYS 126           HD1      LYS 126 -22.981 -37.607  16.334
  967   1HE   LYS 126           HE2      LYS 126 -20.173 -37.958  15.871
  968   2HE   LYS 126           HE1      LYS 126 -20.643 -38.947  17.254
  969   1HZ   LYS 126           HZ1      LYS 126 -22.672 -39.264  15.445
  970   2HZ   LYS 126           HZ3      LYS 126 -21.268 -39.287  14.493
  971   3HZ   LYS 126           HZ2      LYS 126 -21.437 -40.382  15.780
   
  No H/Q in entry =         971