*HEADER    HYDROLASE                               16-APR-07   2PJI              
*TITLE     SOLUTION STRUCTURE OF RHODOSTOMIN P48A MUTANT                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHODOSTOXIN-DISINTEGRIN RHODOSTOMIN;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-68;                                             
*COMPND   5 EC: 3.4.24.-;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA;                        
*SOURCE   3 ORGANISM_COMMON: MALAYAN PIT VIPER;                                  
*SOURCE   4 GENE: RHOD;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: FUNGI;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: X33;                                       
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPICZAA                                   
*KEYWDS    DISINTEGRIN, RHODOSTOMIN                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.-J.CHUANG, Y.-C.LIU, J.-H.SHIU                                      
*REVDAT   1   08-MAY-07 2PJI    0                                                


!sequencial NOE (NHi-NHi+1,CAi-HN+1)

assign ( resid 2 and name hn ) ( resid 3 and name hn ) 4.20 1.80 1.80
assign ( resid 3 and name hn ) ( resid 4 and name hn ) 3.50 1.50 1.50
assign ( resid 4 and name hn ) ( resid 5 and name hn ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 6 and name hn ) 3.50 1.50 1.50
assign ( resid 6 and name hn ) ( resid 7 and name hn ) 4.20 1.80 1.80
assign ( resid 7 and name hn ) ( resid 8 and name hn ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 11 and name hn ) 2.60 0.80 0.80
assign ( resid 13 and name hn ) ( resid 14 and name hn ) 3.50 1.50 1.50
assign ( resid 14 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
assign ( resid 15 and name hn ) ( resid 16 and name hn ) 3.50 1.50 1.50
assign ( resid 16 and name hn ) ( resid 17 and name hn ) 3.50 1.50 1.50
assign ( resid 17 and name hn ) ( resid 18 and name hn ) 2.60 0.80 0.80
assign ( resid 18 and name hn ) ( resid 19 and name hn ) 2.60 0.80 0.80
assign ( resid 19 and name hn ) ( resid 20 and name hn ) 3.50 1.50 1.50
assign ( resid 20 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
assign ( resid 21 and name hn ) ( resid 22 and name hn ) 3.70 1.80 1.80
assign ( resid 24 and name hn ) ( resid 25 and name hn ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 26 and name hn ) 3.50 1.50 1.50
assign ( resid 26 and name hn ) ( resid 27 and name hn ) 2.60 0.80 0.80
assign ( resid 27 and name hn ) ( resid 28 and name hn ) 4.20 1.80 1.80
assign ( resid 28 and name hn ) ( resid 29 and name hn ) 2.60 0.80 0.80
assign ( resid 29 and name hn ) ( resid 30 and name hn ) 4.20 1.80 1.80
assign ( resid 30 and name hn ) ( resid 31 and name hn ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 32 and name hn ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 33 and name hn ) 3.50 1.50 1.50
assign ( resid 33 and name hn ) ( resid 34 and name hn ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 35 and name hn ) 4.20 1.80 1.80
assign ( resid 35 and name hn ) ( resid 36 and name hn ) 3.50 1.50 1.50
assign ( resid 36 and name hn ) ( resid 37 and name hn ) 3.50 1.50 1.50
assign ( resid 37 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
assign ( resid 39 and name hn ) ( resid 40 and name hn ) 4.20 1.80 1.80
assign ( resid 42 and name hn ) ( resid 43 and name hn ) 3.50 1.50 1.50
assign ( resid 43 and name hn ) ( resid 44 and name hn ) 4.20 1.80 1.80
assign ( resid 44 and name hn ) ( resid 45 and name hn ) 4.20 1.80 1.80
assign ( resid 45 and name hn ) ( resid 46 and name hn ) 3.50 1.50 1.50
assign ( resid 46 and name hn ) ( resid 47 and name hn ) 3.50 1.50 1.50
assign ( resid 47 and name hn ) ( resid 48 and name hn ) 4.20 1.80 1.80
assign ( resid 48 and name hn ) ( resid 49 and name hn ) 4.20 1.80 1.80
assign ( resid 49 and name hn ) ( resid 50 and name hn ) 4.20 1.80 1.80
assign ( resid 50 and name hn ) ( resid 51 and name hn ) 4.20 1.80 1.80
assign ( resid 51 and name hn ) ( resid 52 and name hn ) 4.20 1.80 1.80
assign ( resid 54 and name hn ) ( resid 55 and name hn ) 3.50 1.50 1.50
assign ( resid 56 and name hn ) ( resid 57 and name hn ) 4.20 1.80 1.80
assign ( resid 57 and name hn ) ( resid 58 and name hn ) 4.20 1.80 1.80
assign ( resid 58 and name hn ) ( resid 59 and name hn ) 3.50 1.50 1.50
assign ( resid 59 and name hn ) ( resid 60 and name hn ) 3.50 1.50 1.50
assign ( resid 60 and name hn ) ( resid 61 and name hn ) 2.60 0.80 0.80
assign ( resid 61 and name hn ) ( resid 62 and name hn ) 4.20 1.80 1.80
assign ( resid 62 and name hn ) ( resid 63 and name hn ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 64 and name hn ) 4.20 1.80 1.80
assign ( resid 66 and name hn ) ( resid 67 and name hn ) 3.50 1.50 1.50
assign ( resid 67 and name hn ) ( resid 68 and name hn ) 3.50 1.50 1.50
assign ( resid 3 and name hn ) ( resid 2 and name ha ) 2.60 0.80 0.80
assign ( resid 4 and name hn ) ( resid 3 and name ha ) 2.60 0.80 0.80
assign ( resid 5 and name hn ) ( resid 4 and name ha ) 2.60 0.80 0.80 
assign ( resid 7 and name hn ) ( resid 6 and name ha ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 7 and name ha ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 9 and name ha ) 3.50 1.50 1.50
assign ( resid 11 and name hn ) ( resid 10 and name ha ) 3.50 1.50 1.50
assign ( resid 13 and name hn ) ( resid 12 and name ha ) 3.50 1.50 1.50
assign ( resid 14 and name hn ) ( resid 13 and name ha ) 3.50 1.50 1.50
assign ( resid 15 and name hn ) ( resid 14 and name ha ) 2.60 0.80 0.80
assign ( resid 16 and name hn ) ( resid 15 and name ha ) 2.60 0.80 0.80
assign ( resid 17 and name hn ) ( resid 16 and name ha ) 3.50 1.50 1.50
assign ( resid 20 and name hn ) ( resid 19 and name ha ) 3.50 1.50 1.50
assign ( resid 21 and name hn ) ( resid 20 and name ha ) 2.60 0.80 0.80 
assign ( resid 22 and name hn ) ( resid 21 and name ha ) 3.50 1.50 1.50
assign ( resid 24 and name hn ) ( resid 23 and name ha ) 2.60 0.80 0.80
assign ( resid 26 and name hn ) ( resid 25 and name ha ) 2.60 0.80 0.80
assign ( resid 27 and name hn ) ( resid 26 and name ha ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 27 and name ha ) 2.60 0.80 0.80
assign ( resid 30 and name hn ) ( resid 29 and name ha ) 2.60 0.80 0.80
assign ( resid 32 and name hn ) ( resid 31 and name ha ) 3.50 1.50 1.50
assign ( resid 33 and name hn ) ( resid 32 and name ha ) 3.50 1.50 1.50
assign ( resid 34 and name hn ) ( resid 33 and name ha ) 2.60 0.80 0.80
assign ( resid 35 and name hn ) ( resid 34 and name ha ) 2.60 0.80 0.80 
assign ( resid 36 and name hn ) ( resid 35 and name ha ) 3.50 1.50 1.50
assign ( resid 37 and name hn ) ( resid 36 and name ha ) 3.50 1.50 1.50
assign ( resid 38 and name hn ) ( resid 37 and name ha ) 2.60 0.80 0.80
assign ( resid 39 and name hn ) ( resid 38 and name ha ) 2.60 0.80 0.80
assign ( resid 40 and name hn ) ( resid 39 and name ha ) 2.60 0.80 0.80
assign ( resid 41 and name hn ) ( resid 40 and name ha ) 3.50 1.50 1.50
assign ( resid 42 and name hn ) ( resid 41 and name ha ) 2.60 0.80 0.80
assign ( resid 44 and name hn ) ( resid 43 and name ha ) 3.50 1.50 1.50
assign ( resid 45 and name hn ) ( resid 44 and name ha ) 2.60 0.80 0.80
assign ( resid 46 and name hn ) ( resid 45 and name ha ) 3.50 1.50 1.50
assign ( resid 47 and name hn ) ( resid 46 and name ha ) 3.50 1.50 1.50
assign ( resid 48 and name hn ) ( resid 47 and name ha ) 2.60 0.80 0.80
assign ( resid 49 and name hn ) ( resid 48 and name ha ) 2.60 0.80 0.80
assign ( resid 50 and name hn ) ( resid 49 and name ha ) 2.60 0.80 0.80
assign ( resid 52 and name hn ) ( resid 51 and name ha ) 2.60 0.80 0.80
assign ( resid 55 and name hn ) ( resid 54 and name ha ) 2.60 0.80 0.80
assign ( resid 56 and name hn ) ( resid 55 and name ha ) 2.60 0.80 0.80
assign ( resid 57 and name hn ) ( resid 56 and name ha ) 2.60 0.80 0.80
assign ( resid 58 and name hn ) ( resid 57 and name ha ) 2.60 0.80 0.80
assign ( resid 61 and name hn ) ( resid 60 and name ha ) 3.50 1.50 1.50
assign ( resid 62 and name hn ) ( resid 61 and name ha ) 3.50 1.50 1.50
assign ( resid 64 and name hn ) ( resid 63 and name ha ) 2.60 0.80 0.80
assign ( resid 68 and name hn ) ( resid 67 and name ha ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 24 and name ha2 ) 3.50 1.50 1.50
assign ( resid 29 and name hn ) ( resid 28 and name ha2 ) 3.50 1.50 1.50
assign ( resid 31 and name hn ) ( resid 30 and name ha2 ) 2.60 0.80 0.80
assign ( resid 43 and name hn ) ( resid 42 and name ha2 ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 24 and name ha1 ) 3.50 1.50 1.50
assign ( resid 29 and name hn ) ( resid 28 and name ha1 ) 3.50 1.50 1.50
assign ( resid 31 and name hn ) ( resid 30 and name ha1 ) 2.60 0.80 0.80
assign ( resid 2 and name hn ) ( resid 1 and name ha* ) 2.60 0.80 0.80
assign ( resid 51 and name hn ) ( resid 50 and name ha1 ) 2.60 0.80 0.80
assign ( resid 51 and name hn ) ( resid 50 and name ha2 ) 2.60 0.80 0.80
assign ( resid 43 and name hn ) ( resid 42 and name ha1 ) 3.50 1.50 1.50

!remote (i-i+5~)

assign ( resid 5 and name hn ) ( resid 20 and name hn ) 4.20 1.80 1.80
assign ( resid 5 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80 
assign ( resid 6 and name hn ) ( resid 21 and name hn ) 4.20 1.80 1.80
assign ( resid 15 and name hn ) ( resid 22 and name hn ) 3.50 1.50 1.50
assign ( resid 20 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
assign ( resid 22 and name hn ) ( resid 14 and name hn ) 4.20 1.80 1.80
assign ( resid 26 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
assign ( resid 27 and name hn ) ( resid 36 and name hn ) 4.20 1.80 1.80
assign ( resid 27 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
assign ( resid 33 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 39 and name hn ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 26 and name hn ) 4.20 1.80 1.80
assign ( resid 42 and name hn ) ( resid 57 and name hn ) 4.20 1.80 1.80
assign ( resid 43 and name hn ) ( resid 56 and name hn ) 4.20 1.80 1.80
assign ( resid 43 and name hn ) ( resid 57 and name hn ) 3.50 1.50 1.50
assign ( resid 48 and name hn ) ( resid 55 and name hn ) 4.20 1.80 1.80
assign ( resid 57 and name hn ) ( resid 46 and name hn ) 3.50 1.50 1.50
assign ( resid 48 and name hn ) ( resid 54 and name ha ) 3.50 1.50 1.50
assign ( resid 48 and name hn ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
assign ( resid 48 and name hn ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
assign ( resid 55 and name hn ) ( resid 46 and name hn ) 4.20 1.80 1.80
assign ( resid 7 and name hn ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 26 and name hg2 ) 3.50 1.50 1.50 
assign ( resid 38 and name hn ) ( resid 26 and name hg1 ) 3.50 1.50 1.50
assign ( resid 58 and name hn ) ( resid 65 and name hg* ) 4.10 1.80 2.90
assign ( resid 13 and name hn ) ( resid 25 and name hb* ) 4.10 1.80 2.90 
assign ( resid 27 and name hn ) ( resid 21 and name hg ) 3.50 1.50 1.50  
assign ( resid 28 and name hn ) ( resid 21 and name hg ) 4.20 1.80 1.80
assign ( resid 29 and name hn ) ( resid 21 and name hg ) 4.20 1.80 1.80  
assign ( resid 6 and name hn ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 13 and name hn ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 14 and name hn ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 15 and name hn ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 27 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 29 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 44 and name hn ) ( resid 56 and name hd2 ) 4.20 1.80 1.80
assign ( resid 27 and name hn ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
assign ( resid 28 and name hn ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
assign ( resid 29 and name hn ) ( resid 21 and name hd1* ) 4.10 1.80 2.90
assign ( resid 57 and name hn ) ( resid 44 and name hd1* ) 4.10 1.80 2.90
assign ( resid 57 and name hn ) ( resid 44 and name hg2* ) 4.10 1.80 2.90
assign ( resid 58 and name hn ) ( resid 65 and name hd1 ) 4.20 1.80 1.80
assign ( resid 46 and name hn ) ( resid 31 and name hd* ) 4.10 1.80 2.90
assign ( resid 54 and name hn ) ( resid 44 and name hd* ) 4.10 1.80 2.90
assign ( resid 62 and name hn ) ( resid 27 and name hb1 ) 4.20 1.80 1.80
assign ( resid 62 and name hn ) ( resid 27 and name hb2 ) 4.20 1.80 1.80
assign ( resid 64 and name hn ) ( resid 31 and name hd* ) 2.30 0.50 5.10
assign ( resid 5 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
assign ( resid 5 and name hn ) ( resid 20 and name hb2 ) 3.50 1.50 1.50
assign ( resid 6 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80 
assign ( resid 22 and name hn ) ( resid 14 and name hb2 ) 4.20 1.80 1.80
assign ( resid 25 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
assign ( resid 26 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
assign ( resid 26 and name hn ) ( resid 38 and name hb2 ) 4.20 1.80 1.80  
assign ( resid 28 and name hn ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 64 and name hb2 ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 64 and name hb2 ) 4.70 1.80 1.80
assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 3.50 1.50 1.50
assign ( resid 38 and name hn ) ( resid 26 and name hb2 ) 3.50 1.50 1.50
assign ( resid 39 and name hn ) ( resid 32 and name hb2 ) 4.20 1.80 1.80
assign ( resid 39 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
assign ( resid 41 and name hn ) ( resid 57 and name hb2 ) 4.20 1.80 1.80 
assign ( resid 42 and name hn ) ( resid 56 and name hb* ) 3.40 1.60 2.60
assign ( resid 43 and name hn ) ( resid 57 and name hb2 ) 3.50 1.50 1.50
assign ( resid 45 and name hn ) ( resid 56 and name hb* ) 3.40 1.60 2.60 
assign ( resid 61 and name hn ) ( resid 38 and name hb2 ) 4.20 1.80 1.80
assign ( resid 64 and name hn ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
assign ( resid 67 and name hn ) ( resid 66 and name hb2 ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 19 and name hb1 ) 4.20 1.80 1.80
assign ( resid 5 and name hn ) ( resid 20 and name hb1 ) 4.20 1.80 1.80
assign ( resid 6 and name hn ) ( resid 19 and name hb1 ) 4.20 1.80 1.80  
assign ( resid 7 and name hn ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
assign ( resid 22 and name hn ) ( resid 14 and name hb1 ) 4.20 1.80 1.80
assign ( resid 25 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
assign ( resid 26 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
assign ( resid 27 and name hn ) ( resid 36 and name hb1 ) 3.50 1.50 1.50
assign ( resid 31 and name hn ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
assign ( resid 32 and name hn ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
assign ( resid 33 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
assign ( resid 37 and name hn ) ( resid 26 and name hb1 ) 4.20 1.80 1.80
assign ( resid 43 and name hn ) ( resid 57 and name hb1 ) 3.50 1.50 1.50
assign ( resid 45 and name hn ) ( resid 56 and name hg* ) 3.40 1.60 2.60
assign ( resid 61 and name hn ) ( resid 38 and name hb1 ) 4.20 1.80 1.80
assign ( resid 64 and name hn ) ( resid 31 and name hb1 ) 3.50 1.50 1.50
assign ( resid 15 and name hn ) ( resid 21 and name hb* ) 4.10 1.80 2.90
assign ( resid 20 and name hn ) ( resid 5 and name hb* ) 4.10 1.80 2.90
assign ( resid 20 and name hn ) ( resid 14 and name hb* ) 4.10 1.80 2.90
assign ( resid 20 and name hn ) ( resid 15 and name hb* ) 3.40 1.60 2.60
assign ( resid 21 and name hn ) ( resid 5 and name hb* ) 3.40 1.60 2.60
assign ( resid 27 and name hn ) ( resid 21 and name hb* ) 4.10 1.80 2.90
assign ( resid 28 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
assign ( resid 29 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
assign ( resid 46 and name hn ) ( resid 54 and name hb1 ) 4.10 1.80 2.90
assign ( resid 46 and name hn ) ( resid 54 and name hb2 ) 4.10 1.80 2.90
assign ( resid 46 and name hn ) ( resid 55 and name hb2 ) 3.40 1.60 2.60
assign ( resid 54 and name hn ) ( resid 48 and name hb* ) 3.40 1.60 2.60
assign ( resid 57 and name hn ) ( resid 44 and name hb ) 4.20 1.80 1.80
assign ( resid 57 and name hn ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
assign ( resid 57 and name hn ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
assign ( resid 59 and name hn ) ( resid 41 and name hb* ) 3.40 1.60 2.60
assign ( resid 60 and name hn ) ( resid 41 and name hb* ) 4.10 1.80 2.90
assign ( resid 13 and name hn ) ( resid 28 and name ha2 ) 4.20 1.80 1.80 
assign ( resid 57 and name hn ) ( resid 42 and name ha* ) 4.10 1.80 2.90
assign ( resid 5 and name hn ) ( resid 19 and name ha ) 4.20 1.80 1.80  
assign ( resid 6 and name hn ) ( resid 19 and name ha ) 4.10 1.80 2.90  
assign ( resid 14 and name hn ) ( resid 21 and name ha ) 4.20 1.80 1.80 
assign ( resid 20 and name hn ) ( resid 14 and name ha ) 4.20 1.80 1.80
assign ( resid 21 and name hn ) ( resid 14 and name ha ) 4.20 1.80 1.80
assign ( resid 22 and name hn ) ( resid 14 and name ha ) 2.60 0.80 0.80 
assign ( resid 26 and name hn ) ( resid 37 and name ha ) 3.50 1.50 1.50
assign ( resid 27 and name hn ) ( resid 37 and name ha ) 3.50 1.50 1.50
assign ( resid 31 and name hn ) ( resid 64 and name ha ) 4.20 1.80 1.80
assign ( resid 32 and name hn ) ( resid 63 and name ha ) 3.50 1.50 1.50
assign ( resid 34 and name hn ) ( resid 39 and name ha ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 25 and name ha ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 26 and name ha ) 4.20 1.80 1.80 
assign ( resid 38 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
assign ( resid 39 and name hn ) ( resid 33 and name ha ) 3.50 1.50 1.50
assign ( resid 43 and name hn ) ( resid 57 and name ha ) 3.50 1.50 1.50
assign ( resid 44 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
assign ( resid 45 and name hn ) ( resid 56 and name ha ) 3.50 1.50 1.50
assign ( resid 46 and name hn ) ( resid 54 and name ha ) 4.20 1.80 1.80
assign ( resid 46 and name hn ) ( resid 55 and name ha ) 4.20 1.80 1.80 
assign ( resid 46 and name hn ) ( resid 56 and name ha ) 4.20 1.80 1.80
assign ( resid 55 and name hn ) ( resid 44 and name ha ) 4.20 1.80 1.80
assign ( resid 55 and name hn ) ( resid 46 and name hb* ) 4.10 1.80 2.90
assign ( resid 55 and name hn ) ( resid 46 and name ha ) 4.20 1.80 1.80
assign ( resid 55 and name hn ) ( resid 48 and name hb* ) 4.20 1.80 1.80
assign ( resid 55 and name hn ) ( resid 44 and name hd1* ) 4.10 1.80 2.90
assign ( resid 55 and name hn ) ( resid 44 and name hg2* ) 4.10 1.80 2.90
assign ( resid 57 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
assign ( resid 57 and name hn ) ( resid 44 and name ha ) 3.50 1.50 1.50
assign ( resid 58 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
assign ( resid 58 and name hn ) ( resid 64 and name ha ) 4.20 1.80 1.80
assign ( resid 60 and name hn ) ( resid 41 and name ha ) 4.20 1.80 1.80
assign ( resid 64 and name hn ) ( resid 31 and name ha ) 4.20 1.80 1.80
assign ( resid 28 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 3 and name ha ) ( resid 20 and name hd* ) 3.40 1.60 2.60
assign ( resid 3 and name ha ) ( resid 20 and name hg* ) 3.10 0.80 0.80 
assign ( resid 4 and name ha ) ( resid 19 and name ha ) 4.20 1.80 1.80
assign ( resid 4 and name ha ) ( resid 19 and name hb1 ) 3.50 1.50 1.50
assign ( resid 4 and name ha ) ( resid 19 and name hb2 ) 3.50 1.50 1.50
assign ( resid 4 and name ha ) ( resid 20 and name hb1 ) 4.10 1.80 2.90
assign ( resid 4 and name ha ) ( resid 20 and name hb2 ) 3.50 1.50 1.50
assign ( resid 4 and name ha ) ( resid 20 and name hg* ) 3.50 1.50 1.50 
assign ( resid 4 and name hb1 ) ( resid 19 and name hb2 ) 3.50 1.50 1.50
assign ( resid 5 and name ha ) ( resid 20 and name hb1 ) 4.20 1.80 1.80 
assign ( resid 5 and name ha ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 5 and name hb* ) ( resid 20 and name hb1 ) 2.60 0.80 0.80 
assign ( resid 5 and name hb* ) ( resid 21 and name hg ) 4.10 1.80 2.90
assign ( resid 5 and name hb* ) ( resid 21 and name hd1* ) 2.30 0.50 4.70
assign ( resid 5 and name hb* ) ( resid 21 and name hd2* ) 2.30 0.50 4.70
assign ( resid 6 and name ha ) ( resid 28 and name ha1 ) 4.20 1.80 1.80
assign ( resid 6 and name ha ) ( resid 28 and name ha2 ) 4.10 1.80 2.90
assign ( resid 6 and name ha ) ( resid 14 and name hb* ) 4.10 1.80 2.90
assign ( resid 6 and name ha ) ( resid 29 and name hb1 ) 3.50 1.50 1.50
assign ( resid 6 and name ha ) ( resid 29 and name hg* ) 3.40 1.60 2.60
assign ( resid 6 and name hb2 ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 9 and name ha ) ( resid 16 and name ha ) 3.50 1.50 1.50  
assign ( resid 9 and name ha ) ( resid 14 and name hb* ) 4.10 1.80 2.90 
assign ( resid 9 and name ha ) ( resid 16 and name hb* ) 3.40 1.60 2.60 
assign ( resid 9 and name hb1 ) ( resid 16 and name hb* ) 3.40 1.60 2.60
assign ( resid 13 and name ha ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
assign ( resid 13 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
assign ( resid 13 and name ha ) ( resid 21 and name hb* ) 4.10 1.80 2.90
assign ( resid 13 and name ha ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 13 and name hb1 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80 
assign ( resid 13 and name hb1 ) ( resid 29 and name hg* ) 4.10 1.80 2.90
assign ( resid 13 and name hb1 ) ( resid 21 and name hd1* ) 4.10 1.80 2.90
assign ( resid 13 and name hb1 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 13 and name hb2 ) ( resid 25 and name hb* ) 3.40 1.60 2.60
assign ( resid 14 and name ha ) ( resid 22 and name ha ) 3.50 1.50 1.50  
assign ( resid 14 and name ha ) ( resid 21 and name ha ) 3.50 1.50 1.50
assign ( resid 14 and name ha ) ( resid 6 and name hb1 ) 4.20 1.80 1.80
assign ( resid 14 and name ha ) ( resid 22 and name hb* ) 3.40 1.60 2.60
assign ( resid 14 and name ha ) ( resid 21 and name hg ) 3.50 1.50 1.50
assign ( resid 14 and name ha ) ( resid 21 and name hb* ) 3.40 1.60 2.60
assign ( resid 14 and name ha ) ( resid 21 and name hd1* ) 4.10 1.80 2.90
assign ( resid 14 and name ha ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 14 and name hb* ) ( resid 21 and name hg ) 4.10 1.80 2.90
assign ( resid 14 and name hb* ) ( resid 21 and name hd2* ) 4.10 1.80 3.90
assign ( resid 15 and name hb2 ) ( resid 20 and name hb* ) 3.40 1.60 2.60
assign ( resid 15 and name hb2 ) ( resid 20 and name hg* ) 4.10 1.80 2.90
assign ( resid 15 and name hb2 ) ( resid 21 and name hb* ) 4.10 1.80 2.90
assign ( resid 16 and name ha ) ( resid 9 and name hb1 ) 3.50 1.50 1.50
assign ( resid 19 and name ha ) ( resid 4 and name hb1 ) 3.50 1.50 1.50
assign ( resid 19 and name hb1 ) ( resid 4 and name hb1 ) 3.50 1.50 1.50
assign ( resid 19 and name hb2 ) ( resid 4 and name hb2 ) 3.50 1.50 1.50
assign ( resid 20 and name ha ) ( resid 4 and name hb1 ) 4.10 1.80 3.90 
assign ( resid 20 and name ha ) ( resid 5 and name hb* ) 3.50 1.50 1.50 
assign ( resid 21 and name ha ) ( resid 15 and name hb1 ) 4.20 1.80 1.80
assign ( resid 21 and name ha ) ( resid 15 and name hb2 ) 3.70 1.80 1.80
assign ( resid 21 and name ha ) ( resid 14 and name hb* ) 4.10 1.80 2.90
assign ( resid 25 and name ha ) ( resid 36 and name hb1 ) 3.50 1.50 1.50
assign ( resid 25 and name ha ) ( resid 36 and name hb2 ) 3.50 1.50 1.50 
assign ( resid 25 and name ha ) ( resid 37 and name he* ) 3.40 1.60 2.60 
assign ( resid 26 and name ha ) ( resid 21 and name hg ) 4.20 1.80 1.80
assign ( resid 27 and name ha ) ( resid 21 and name ha ) 4.20 1.80 1.80
assign ( resid 27 and name ha ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
assign ( resid 27 and name ha ) ( resid 62 and name hb* ) 3.40 1.60 2.60
assign ( resid 27 and name ha ) ( resid 21 and name hb* ) 3.40 1.60 2.60
assign ( resid 27 and name ha ) ( resid 21 and name hd1* ) 3.50 1.50 1.50  
assign ( resid 27 and name ha ) ( resid 21 and name hd2* ) 2.60 0.80 0.80  
assign ( resid 27 and name hb1 ) ( resid 33 and name hb2 ) 3.50 1.50 1.50
assign ( resid 27 and name hb1 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
assign ( resid 27 and name hb1 ) ( resid 21 and name hd1* ) 4.10 1.80 2.90
assign ( resid 27 and name hb1 ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 27 and name hb2 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
assign ( resid 27 and name hb2 ) ( resid 21 and name hd1* ) 3.40 1.60 2.60 
assign ( resid 27 and name hb2 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 28 and name ha1 ) ( resid 13 and name hb2 ) 3.50 1.50 1.50
assign ( resid 28 and name ha1 ) ( resid 21 and name hd1* ) 4.10 1.80 2.90
assign ( resid 28 and name ha1 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 28 and name ha2 ) ( resid 13 and name hb1 ) 3.50 1.50 1.50
assign ( resid 28 and name ha2 ) ( resid 5 and name hb* ) 4.10 1.80 2.90  
assign ( resid 28 and name ha2 ) ( resid 13 and name hb2 ) 3.50 1.50 1.50
assign ( resid 28 and name ha2 ) ( resid 21 and name hg ) 4.20 1.80 1.80
assign ( resid 28 and name ha2 ) ( resid 21 and name hd1* ) 4.10 1.80 2.90
assign ( resid 28 and name ha2 ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 30 and name ha1 ) ( resid 62 and name hb* ) 2.60 0.80 0.80
assign ( resid 30 and name ha2 ) ( resid 62 and name hb* ) 3.40 1.60 2.60
assign ( resid 31 and name ha ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
assign ( resid 32 and name ha ) ( resid 62 and name ha ) 3.50 1.50 1.50
assign ( resid 32 and name ha ) ( resid 39 and name hb1 ) 3.50 1.50 1.50
assign ( resid 32 and name ha ) ( resid 39 and name hb2 ) 3.50 1.50 1.50
assign ( resid 32 and name ha ) ( resid 43 and name he* ) 4.10 1.80 2.90
assign ( resid 32 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
assign ( resid 32 and name hb2 ) ( resid 62 and name hb* ) 3.40 1.60 2.60 
assign ( resid 32 and name hb2 ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
assign ( resid 33 and name ha ) ( resid 38 and name ha ) 3.50 1.50 1.50
assign ( resid 33 and name ha ) ( resid 62 and name ha ) 4.20 1.80 1.80
assign ( resid 33 and name ha ) ( resid 39 and name ha ) 4.20 1.80 1.80 
assign ( resid 33 and name ha ) ( resid 27 and name hb1 ) 4.20 1.80 1.80
assign ( resid 33 and name ha ) ( resid 27 and name hb2 ) 4.20 1.80 1.80
assign ( resid 33 and name ha ) ( resid 39 and name hb2 ) 4.20 1.80 1.80
assign ( resid 36 and name hb1 ) ( resid 13 and name hb1 ) 3.50 1.50 1.50
assign ( resid 36 and name hb1 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
assign ( resid 36 and name hb1 ) ( resid 25 and name hb* ) 2.60 0.80 0.80
assign ( resid 36 and name hb1 ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 36 and name hb2 ) ( resid 25 and name hb* ) 2.60 0.80 0.80
assign ( resid 36 and name hb2 ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 37 and name ha ) ( resid 26 and name ha ) 4.00 1.50 1.50  
assign ( resid 37 and name ha ) ( resid 26 and name hb1 ) 3.50 1.50 1.50
assign ( resid 37 and name ha ) ( resid 26 and name hb2 ) 3.50 1.50 1.50
assign ( resid 38 and name ha ) ( resid 33 and name ha ) 3.50 1.50 1.50
assign ( resid 38 and name ha ) ( resid 26 and name hb1 ) 4.20 1.80 1.80 
assign ( resid 38 and name ha ) ( resid 26 and name hb2 ) 4.20 1.80 1.80
assign ( resid 38 and name hb2 ) ( resid 60 and name hg* ) 4.10 1.80 2.90
assign ( resid 39 and name ha ) ( resid 34 and name hg* ) 3.40 1.60 2.60
assign ( resid 39 and name ha ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
assign ( resid 39 and name ha ) ( resid 34 and name hb2 ) 3.50 1.50 1.50
assign ( resid 39 and name hb2 ) ( resid 57 and name hb2 ) 3.50 1.50 1.50
assign ( resid 39 and name hb2 ) ( resid 32 and name hb2 ) 3.50 1.50 1.50
assign ( resid 40 and name ha ) ( resid 59 and name ha* ) 2.30 0.50 2.90 
assign ( resid 41 and name ha ) ( resid 57 and name hb2 ) 3.50 1.50 1.50
assign ( resid 41 and name ha ) ( resid 59 and name ha* ) 2.30 0.50 2.90
assign ( resid 42 and name ha1 ) ( resid 56 and name hd1 ) 3.50 1.50 1.50
assign ( resid 42 and name ha1 ) ( resid 56 and name hd2 ) 3.50 1.50 1.50
assign ( resid 42 and name ha2 ) ( resid 56 and name hb* ) 2.30 0.50 2.90
assign ( resid 44 and name ha ) ( resid 56 and name hd1 ) 3.50 1.50 1.50
assign ( resid 44 and name ha ) ( resid 54 and name hb1 ) 4.20 1.80 1.80
assign ( resid 44 and name ha ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
assign ( resid 45 and name ha ) ( resid 64 and name hb1 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 64 and name hb2 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 31 and name hg ) 4.20 1.80 1.80
assign ( resid 45 and name ha ) ( resid 31 and name hb1 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 31 and name hb2 ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 31 and name hd* ) 2.30 0.50 5.10
assign ( resid 45 and name hb1 ) ( resid 64 and name hb2 ) 3.50 1.50 1.50
assign ( resid 45 and name hb1 ) ( resid 31 and name hd* ) 2.30 0.50 5.10
assign ( resid 46 and name hd* ) ( resid 55 and name hb1 ) 4.20 1.80 1.80
assign ( resid 46 and name hd* ) ( resid 31 and name hd* ) 4.10 1.80 4.30
assign ( resid 46 and name hd* ) ( resid 55 and name hb2 ) 4.20 1.80 1.80
assign ( resid 47 and name ha ) ( resid 54 and name hb2 ) 4.20 1.80 1.80
assign ( resid 47 and name ha ) ( resid 54 and name hb1 ) 2.30 0.50 2.90
assign ( resid 48 and name ha ) ( resid 54 and name ha ) 4.20 1.80 1.80
assign ( resid 48 and name hb* ) ( resid 52 and name hb* ) 4.10 1.80 2.90
assign ( resid 48 and name hb* ) ( resid 52 and name hg1 ) 4.10 1.80 2.90
assign ( resid 48 and name hb* ) ( resid 52 and name hg2 ) 4.10 1.80 2.90
assign ( resid 54 and name ha ) ( resid 48 and name ha ) 3.50 1.50 1.50
assign ( resid 54 and name ha ) ( resid 48 and name hb* ) 3.50 1.50 1.50
assign ( resid 54 and name ha ) ( resid 47 and name ha ) 4.10 1.80 2.90
assign ( resid 54 and name ha ) ( resid 47 and name hb ) 4.20 1.80 1.80
assign ( resid 54 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
assign ( resid 54 and name ha ) ( resid 44 and name hg1* ) 4.10 1.80 2.90
assign ( resid 54 and name hb1 ) ( resid 44 and name hb* ) 4.20 1.80 1.80
assign ( resid 54 and name hb1 ) ( resid 44 and name hg1* ) 4.20 1.80 1.80
assign ( resid 54 and name hb2 ) ( resid 44 and name hg1* ) 4.20 1.80 1.80
assign ( resid 54 and name hb2 ) ( resid 48 and name hb* ) 4.10 1.80 2.90
assign ( resid 54 and name hb1 ) ( resid 44 and name hd* ) 2.60 0.80 0.80
assign ( resid 54 and name hb2 ) ( resid 44 and name hd* ) 2.60 0.80 0.80
assign ( resid 55 and name ha ) ( resid 66 and name ha ) 4.10 1.80 2.90  
assign ( resid 55 and name ha ) ( resid 46 and name hb* ) 3.40 1.60 2.60
assign ( resid 55 and name hb1 ) ( resid 46 and name hb* ) 3.40 1.60 2.60
assign ( resid 55 and name hb2 ) ( resid 46 and name hb* ) 3.40 1.60 2.60
assign ( resid 56 and name ha ) ( resid 42 and name ha1 ) 4.20 1.80 1.80
assign ( resid 56 and name ha ) ( resid 42 and name ha2 ) 4.20 1.80 1.80
assign ( resid 56 and name ha ) ( resid 44 and name ha ) 2.60 0.80 0.80
assign ( resid 56 and name ha ) ( resid 44 and name hg2* ) 3.40 1.60 2.60
assign ( resid 56 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
assign ( resid 56 and name hd1 ) ( resid 44 and name hd* ) 3.40 1.60 2.60
assign ( resid 57 and name ha ) ( resid 64 and name ha ) 3.50 1.50 1.50
assign ( resid 57 and name ha ) ( resid 65 and name hd1 ) 3.50 1.50 1.50
assign ( resid 57 and name ha ) ( resid 65 and name hd2 ) 3.50 1.50 1.50
assign ( resid 57 and name hb1 ) ( resid 43 and name hg1 ) 3.50 1.50 1.50
assign ( resid 57 and name hb1 ) ( resid 41 and name hb* ) 4.10 1.80 2.90 
assign ( resid 57 and name hb2 ) ( resid 43 and name hg1 ) 3.50 1.50 1.50
assign ( resid 57 and name hb2 ) ( resid 43 and name hg2 ) 3.50 1.50 1.50
assign ( resid 58 and name hb) ( resid 41 and name hb* ) 3.40 1.60 2.60
assign ( resid 59 and name ha* ) ( resid 41 and name ha ) 2.30 0.50 2.90
assign ( resid 59 and name ha* ) ( resid 41 and name hb* ) 1.80 0 2.50 
assign ( resid 62 and name ha ) ( resid 33 and name ha ) 4.20 1.80 1.80
assign ( resid 62 and name ha ) ( resid 32 and name ha ) 3.50 1.50 1.50
assign ( resid 62 and name ha ) ( resid 32 and name hb1 ) 3.50 1.50 1.50
assign ( resid 62 and name ha ) ( resid 32 and name hb2 ) 3.50 1.50 1.50
assign ( resid 63 and name ha ) ( resid 31 and name hg ) 3.50 1.50 1.50
assign ( resid 63 and name hb1 ) ( resid 31 and name hb1 ) 4.20 1.80 1.80
assign ( resid 63 and name hb1 ) ( resid 31 and name hd* ) 4.10 1.80 4.30
assign ( resid 64 and name ha ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 58 and name hg2* ) 4.10 1.80 2.90
assign ( resid 64 and name ha ) ( resid 31 and name hd* ) 2.30 0.50 5.10
assign ( resid 64 and name ha ) ( resid 57 and name ha ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hg ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hb1 ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hb2 ) 3.50 1.50 1.50
assign ( resid 64 and name hb2 ) ( resid 31 and name hd* ) 2.30 0.50 2.90
assign ( resid 65 and name hd1 ) ( resid 58 and name hg2* ) 3.40 1.60 2.60
assign ( resid 65 and name hd2 ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
assign ( resid 65 and name hd2 ) ( resid 58 and name hg2 ) 3.40 1.60 2.60
assign ( resid 65 and name hd1 ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
assign ( resid 65 and name hd1 ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
assign ( resid 26 and name he21 ) ( resid 38 and name he* ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 26 and name ha ) 4.10 1.80 2.90 
assign ( resid 38 and name hd* ) ( resid 26 and name hg1 ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 26 and name hg2 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 26 and name hb1 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 26 and name hb2 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hn ) 4.10 1.80 2.90
assign ( resid 38 and name he* ) ( resid 26 and name he21 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hg2 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hb1 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 26 and name hb2 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 27 and name hn ) 4.10 1.80 2.90
assign ( resid 38 and name hd* ) ( resid 27 and name ha ) 4.10 1.80 2.90 
assign ( resid 38 and name hd* ) ( resid 27 and name hb1 ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 27 and name hb2 ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 27 and name hn ) 4.10 1.80 2.90
assign ( resid 38 and name he* ) ( resid 27 and name hb1 ) 2.30 0.50 2.90
assign ( resid 38 and name hd* ) ( resid 33 and name ha ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 33 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name he* ) ( resid 33 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 60 and name hn ) 4.10 1.80 2.90
assign ( resid 38 and name hd* ) ( resid 60 and name ha ) 2.30 0.50 2.90 
assign ( resid 38 and name he* ) ( resid 60 and name hn ) 4.10 1.80 2.90
assign ( resid 38 and name hd* ) ( resid 61 and name hn ) 4.10 1.80 2.90
assign ( resid 38 and name hd* ) ( resid 61 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name he* ) ( resid 61 and name ha ) 4.10 1.80 2.90
assign ( resid 38 and name he* ) ( resid 61 and name hb2 ) 4.10 1.80 4.30
assign ( resid 38 and name hd* ) ( resid 62 and name hn ) 2.30 0.50 5.10
assign ( resid 38 and name hd* ) ( resid 62 and name ha ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 62 and name hn ) 2.30 0.50 5.10
assign ( resid 38 and name he* ) ( resid 62 and name ha ) 2.30 0.50 5.10
assign ( resid 67 and name hd* ) ( resid 53 and name hb2 ) 4.10 1.80 4.30
assign ( resid 67 and name hd* ) ( resid 53 and name hb1 ) 4.10 1.80 4.30
assign ( resid 67 and name he* ) ( resid 53 and name hb2 ) 4.10 1.80 4.30
assign ( resid 67 and name he* ) ( resid 53 and name hb1 ) 4.10 1.80 4.30
assign ( resid 11 and name hd22 ) ( resid 6 and name hb2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 6 and name hb2 ) 3.50 1.50 1.50
assign ( resid 11 and name hd21 ) ( resid 6 and name ha ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 28 and name ha1 ) 3.50 1.50 1.50
assign ( resid 11 and name hd22 ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 28 and name ha2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 29 and name hg1 ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 29 and name hg1 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 29 and name hg2 ) 4.20 1.80 1.80
assign ( resid 26 and name he22 ) ( resid 38 and name hn ) 4.20 1.80 1.80



!intermediate NOEs  (i-i+1~~~i-i+4)

assign ( resid 4 and name hn ) ( resid 6 and name hn ) 4.20 1.80 1.80
assign ( resid 8 and name hn ) ( resid 11 and name hn ) 4.20 1.80 1.80
assign ( resid 13 and name hn ) ( resid 11 and name hn ) 4.20 1.80 1.80
assign ( resid 16 and name hn ) ( resid 18 and name hn ) 4.20 1.80 1.80
assign ( resid 18 and name hn ) ( resid 20 and name hn ) 4.20 1.80 1.80
assign ( resid 19 and name hn ) ( resid 15 and name hn ) 4.20 1.80 1.80
assign ( resid 19 and name hn ) ( resid 16 and name hn ) 4.20 1.80 1.80
assign ( resid 25 and name hn ) ( resid 22 and name hn ) 4.20 1.80 1.80
assign ( resid 31 and name hn ) ( resid 33 and name hn ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 36 and name hn ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 37 and name hn ) 3.50 1.50 1.50
assign ( resid 34 and name hn ) ( resid 38 and name hn ) 4.20 1.80 1.80
assign ( resid 35 and name hn ) ( resid 37 and name hn ) 4.20 1.80 1.80
assign ( resid 40 and name hn ) ( resid 43 and name hn ) 4.20 1.80 1.80
assign ( resid 43 and name hn ) ( resid 41 and name hn ) 4.20 1.80 1.80
assign ( resid 46 and name hn ) ( resid 44 and name hn ) 4.20 1.80 1.80
assign ( resid 58 and name hn ) ( resid 60 and name hn ) 4.20 1.80 1.80
assign ( resid 58 and name hn ) ( resid 61 and name hn ) 4.20 1.80 1.80
assign ( resid 59 and name hn ) ( resid 61 and name hn ) 3.50 1.50 1.50
assign ( resid 45 and name hn ) ( resid 44 and name hg2* ) 4.10 1.80 2.90
assign ( resid 49 and name hn ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
assign ( resid 27 and name hn ) ( resid 26 and name hg2 ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 37 and name hg2 ) 4.20 1.80 1.80
assign ( resid 44 and name hn ) ( resid 43 and name hg2 ) 3.50 1.50 1.50
assign ( resid 13 and name hn ) ( resid 12 and name hg* ) 3.40 1.60 2.60
assign ( resid 27 and name hn ) ( resid 26 and name hg1 ) 3.50 1.50 1.50
assign ( resid 38 and name hn ) ( resid 37 and name hg1 ) 4.20 1.80 1.80
assign ( resid 44 and name hn ) ( resid 43 and name hg1 ) 3.50 1.50 1.50
assign ( resid 4 and name hn ) ( resid 2 and name hg* ) 4.10 1.80 2.90
assign ( resid 15 and name hn ) ( resid 18 and name hg2* ) 4.10 1.80 2.90 
assign ( resid 17 and name hn ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
assign ( resid 19 and name hn ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
assign ( resid 21 and name hn ) ( resid 20 and name hg* ) 4.20 1.60 2.60
assign ( resid 24 and name hn ) ( resid 23 and name hg* ) 4.10 1.80 2.90
assign ( resid 30 and name hn ) ( resid 29 and name hg* ) 4.10 1.80 2.90
assign ( resid 36 and name hn ) ( resid 35 and name hg* ) 4.10 1.80 2.90
assign ( resid 37 and name hn ) ( resid 34 and name hg* ) 3.40 1.60 2.60
assign ( resid 47 and name hn ) ( resid 46 and name hg1 ) 3.40 1.60 2.60
assign ( resid 47 and name hg11 ) ( resid 48 and name hb* ) 3.40 1.60 2.60
assign ( resid 47 and name hn ) ( resid 46 and name hb* ) 3.40 1.60 2.60
assign ( resid 47 and name hn ) ( resid 46 and name hg2 ) 3.40 1.60 2.60
assign ( resid 48 and name hn ) ( resid 46 and name ha ) 4.10 1.80 2.90
assign ( resid 48 and name hn ) ( resid 47 and name hb ) 3.40 1.60 2.60
assign ( resid 48 and name hn ) ( resid 47 and name hg11 ) 3.40 1.60 2.60
assign ( resid 48 and name hn ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
assign ( resid 48 and name hn ) ( resid 47 and name hd* ) 3.40 1.60 2.60
assign ( resid 50 and name hn ) ( resid 49 and name hg* ) 4.10 1.80 2.90
assign ( resid 52 and name hn ) ( resid 48 and name hb* ) 3.40 1.60 2.60
assign ( resid 54 and name hn ) ( resid 53 and name hg1 ) 3.50 1.50 1.50
assign ( resid 54 and name hn ) ( resid 53 and name hg2 ) 3.50 1.50 1.50
assign ( resid 57 and name hn ) ( resid 56 and name hg* ) 3.40 1.60 2.60
assign ( resid 59 and name hn ) ( resid 58 and name hg2* ) 4.10 1.80 2.90
assign ( resid 60 and name hn ) ( resid 58 and name hg2* ) 4.10 1.80 2.90
assign ( resid 61 and name hn ) ( resid 58 and name hg2* ) 4.10 1.80 2.90
assign ( resid 66 and name hn ) ( resid 65 and name hg* ) 4.10 1.80 2.90
assign ( resid 67 and name hn ) ( resid 66 and name hg* ) 3.40 1.60 2.60
assign ( resid 68 and name hn ) ( resid 66 and name hg* ) 4.10 1.80 2.90
assign ( resid 32 and name hn ) ( resid 31 and name hg ) 4.20 1.80 1.80
assign ( resid 22 and name hn ) ( resid 21 and name hd2* ) 3.40 1.60 2.60
assign ( resid 22 and name hn ) ( resid 21 and name hd1* ) 3.40 1.60 2.60
assign ( resid 13 and name hn ) ( resid 12 and name hd1 ) 3.50 1.50 1.50
assign ( resid 13 and name hn ) ( resid 12 and name hd2 ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 31 and name hd* ) 4.10 1.80 2.90
assign ( resid 33 and name hn ) ( resid 31 and name hd* ) 4.10 1.80 2.90
assign ( resid 38 and name hn ) ( resid 37 and name hd* ) 4.10 1.80 2.90
assign ( resid 41 and name hn ) ( resid 40 and name hd* ) 3.40 1.60 2.60
assign ( resid 45 and name hn ) ( resid 44 and name hd* ) 3.40 1.60 2.60
assign ( resid 46 and name hn ) ( resid 44 and name hd* ) 3.50 1.50 1.50
assign ( resid 52 and name hn ) ( resid 53 and name hd1 ) 4.20 1.80 1.80
assign ( resid 52 and name hn ) ( resid 53 and name hd2 ) 4.20 1.80 1.80
assign ( resid 4 and name hn ) ( resid 3 and name hb2 ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 4 and name hb2 ) 3.50 1.50 1.50
assign ( resid 6 and name hn ) ( resid 4 and name hb2 ) 3.50 1.50 1.50
assign ( resid 7 and name hn ) ( resid 6 and name hb2 ) 4.20 1.80 1.80
assign ( resid 8 and name hn ) ( resid 6 and name hb2 ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 11 and name hb2 ) 4.20 1.80 1.80
assign ( resid 10 and name hn ) ( resid 8 and name hb2 ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 11 and name hb2 ) 3.50 1.50 1.50
assign ( resid 11 and name hn ) ( resid 10 and name hb2 ) 4.20 1.80 1.80
assign ( resid 14 and name hn ) ( resid 13 and name hb2 ) 3.50 1.50 1.50
assign ( resid 15 and name hn ) ( resid 14 and name hb2 ) 3.50 1.50 1.50
assign ( resid 16 and name hn ) ( resid 15 and name hb2 ) 3.50 1.50 1.50
assign ( resid 17 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
assign ( resid 18 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
assign ( resid 19 and name hn ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
assign ( resid 20 and name hn ) ( resid 19 and name hb2 ) 4.20 1.80 1.80
assign ( resid 28 and name hn ) ( resid 27 and name hb2 ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
assign ( resid 29 and name hn ) ( resid 27 and name hb2 ) 3.50 1.50 1.50
assign ( resid 29 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
assign ( resid 30 and name hn ) ( resid 29 and name hb2 ) 3.50 1.50 1.50
assign ( resid 30 and name hn ) ( resid 33 and name hb2 ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 31 and name hb2 ) 3.50 1.50 1.50
assign ( resid 34 and name hn ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 37 and name hb2 ) 4.20 1.80 1.80
assign ( resid 35 and name hn ) ( resid 34 and name hb2 ) 3.50 1.50 1.50
assign ( resid 36 and name hn ) ( resid 35 and name hb2 ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 35 and name hb2 ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 36 and name hb2 ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 37 and name hb2 ) 3.50 1.50 1.50
assign ( resid 39 and name hn ) ( resid 38 and name hb2 ) 3.50 1.50 1.50
assign ( resid 40 and name hn ) ( resid 39 and name hb2 ) 3.50 1.50 1.50
assign ( resid 56 and name hn ) ( resid 55 and name hb2 ) 3.50 1.50 1.50
assign ( resid 57 and name hn ) ( resid 56 and name hb* ) 3.40 1.60 2.60
assign ( resid 58 and name hn ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
assign ( resid 60 and name hn ) ( resid 61 and name hb2 ) 3.50 1.50 1.50
assign ( resid 61 and name hn ) ( resid 60 and name hb2 ) 4.20 1.80 1.80
assign ( resid 62 and name hn ) ( resid 61 and name hb2 ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 61 and name hb2 ) 3.50 1.50 1.50
assign ( resid 68 and name hn ) ( resid 66 and name hb2 ) 3.50 1.50 1.50
assign ( resid 68 and name hn ) ( resid 67 and name hb2 ) 3.50 1.50 1.50
assign ( resid 4 and name hn ) ( resid 3 and name hb1 ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 4 and name hb1 ) 4.20 1.80 1.80
assign ( resid 6 and name hn ) ( resid 4 and name hb1 ) 3.50 1.50 1.50  
assign ( resid 7 and name hn ) ( resid 6 and name hb1 ) 4.20 1.80 1.80
assign ( resid 8 and name hn ) ( resid 6 and name hb1 ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 7 and name hb1 ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 11 and name hb1 ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 8 and name hb1 ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 11 and name hb1 ) 3.50 1.50 1.50
assign ( resid 11 and name hn ) ( resid 10 and name hb1 ) 3.50 1.50 1.50
assign ( resid 13 and name hn ) ( resid 12 and name hb1 ) 4.20 1.80 1.80
assign ( resid 13 and name hn ) ( resid 12 and name hb2 ) 3.50 1.50 1.50
assign ( resid 13 and name hn ) ( resid 14 and name hb1 ) 4.20 1.80 1.80
assign ( resid 14 and name hn ) ( resid 12 and name hg* ) 4.10 1.80 2.90 
assign ( resid 14 and name hn ) ( resid 13 and name hb1 ) 3.50 1.50 1.50
assign ( resid 15 and name hn ) ( resid 14 and name hb1 ) 3.50 1.50 1.50
assign ( resid 16 and name hn ) ( resid 15 and name hb1 ) 3.50 1.50 1.50
assign ( resid 18 and name hn ) ( resid 15 and name hb1 ) 4.20 1.80 1.80
assign ( resid 19 and name hn ) ( resid 15 and name hb1 ) 3.50 1.50 1.50
assign ( resid 20 and name hn ) ( resid 19 and name hb1 ) 4.20 1.80 1.80
assign ( resid 21 and name hn ) ( resid 20 and name hb1 ) 3.00 1.50 1.50
assign ( resid 28 and name hn ) ( resid 27 and name hb1 ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
assign ( resid 29 and name hn ) ( resid 27 and name hb1 ) 3.50 1.50 1.50
assign ( resid 29 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
assign ( resid 32 and name hn ) ( resid 31 and name hb1 ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 33 and name hb1 ) 4.20 1.80 1.80
assign ( resid 35 and name hn ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
assign ( resid 36 and name hn ) ( resid 35 and name hb1 ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 35 and name hb1 ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 36 and name hb1 ) 4.20 1.80 1.80
assign ( resid 38 and name hn ) ( resid 37 and name hb1 ) 3.50 1.50 1.50
assign ( resid 39 and name hn ) ( resid 38 and name hb1 ) 3.50 1.50 1.50
assign ( resid 40 and name hn ) ( resid 39 and name hb1 ) 3.50 1.50 1.50
assign ( resid 41 and name hn ) ( resid 40 and name hb* ) 2.60 0.80 0.80
assign ( resid 55 and name hn ) ( resid 54 and name hb1 ) 3.50 1.50 1.50
assign ( resid 55 and name hn ) ( resid 54 and name hb2 ) 3.50 1.50 1.50
assign ( resid 56 and name hn ) ( resid 55 and name hb1 ) 3.50 1.50 1.50
assign ( resid 58 and name hn ) ( resid 57 and name hb1 ) 3.50 1.50 1.50
assign ( resid 60 and name hn ) ( resid 61 and name hb1 ) 4.20 1.80 1.80
assign ( resid 61 and name hn ) ( resid 60 and name hb1 ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 61 and name hb1 ) 3.50 1.50 1.50
assign ( resid 64 and name hn ) ( resid 63 and name hb1 ) 3.50 1.50 1.50
assign ( resid 67 and name hn ) ( resid 66 and name hb1 ) 3.50 1.50 1.50
assign ( resid 68 and name hn ) ( resid 66 and name hb1 ) 4.20 1.80 1.80
assign ( resid 6 and name hn ) ( resid 5 and name hb* ) 3.40 1.60 2.60
assign ( resid 11 and name hn ) ( resid 8 and name hb* ) 3.40 1.60 2.60
assign ( resid 18 and name hn ) ( resid 17 and name hb* ) 2.60 0.80 0.80
assign ( resid 22 and name hn ) ( resid 21 and name hb* ) 2.60 0.80 0.80
assign ( resid 24 and name hn ) ( resid 23 and name hb* ) 3.40 1.60 2.60
assign ( resid 25 and name hn ) ( resid 21 and name hb* ) 3.40 1.60 2.60
assign ( resid 25 and name hn ) ( resid 23 and name hb* ) 4.10 1.80 2.90
assign ( resid 26 and name hn ) ( resid 25 and name hb* ) 3.40 1.60 2.60
assign ( resid 27 and name hn ) ( resid 26 and name hb* ) 3.40 1.60 2.60
assign ( resid 42 and name hn ) ( resid 41 and name hb* ) 3.40 1.60 2.60
assign ( resid 46 and name hn ) ( resid 43 and name hg1 ) 4.10 1.80 2.90
assign ( resid 46 and name hn ) ( resid 43 and name hg2 ) 4.10 1.80 2.90
assign ( resid 46 and name hn ) ( resid 45 and name hb1 ) 4.20 1.80 1.80
assign ( resid 46 and name hn ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
assign ( resid 49 and name hn ) ( resid 48 and name hb* ) 3.40 1.60 2.60
assign ( resid 50 and name hn ) ( resid 49 and name hb1 ) 3.40 1.60 2.60
assign ( resid 50 and name hn ) ( resid 49 and name hb2 ) 3.40 1.60 2.60
assign ( resid 51 and name hn ) ( resid 52 and name hb* ) 4.10 1.80 2.90
assign ( resid 51 and name hn ) ( resid 52 and name hg1 ) 4.20 1.80 1.80
assign ( resid 51 and name hn ) ( resid 52 and name hg2 ) 4.20 1.80 1.80
assign ( resid 52 and name hn ) ( resid 51 and name hb1 ) 4.20 1.80 1.80
assign ( resid 52 and name hn ) ( resid 51 and name hb2 ) 4.20 1.80 1.80
assign ( resid 63 and name hn ) ( resid 62 and name hb* ) 3.40 1.60 2.60
assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 3.40 1.60 2.60
assign ( resid 66 and name hn ) ( resid 65 and name hb* ) 3.40 1.60 2.60
assign ( resid 20 and name hn ) ( resid 18 and name hb ) 3.50 1.50 1.50  
assign ( resid 45 and name hn ) ( resid 44 and name hb ) 3.50 1.50 1.50
assign ( resid 46 and name hn ) ( resid 44 and name hb ) 4.20 1.80 1.80
assign ( resid 60 and name hn ) ( resid 58 and name hb ) 3.50 1.50 1.50
assign ( resid 61 and name hn ) ( resid 58 and name hb ) 4.20 1.80 1.80
assign ( resid 61 and name hn ) ( resid 58 and name ha ) 3.50 1.50 1.50 
assign ( resid 7 and name hn ) ( resid 8 and name ha ) 4.20 1.80 1.80
assign ( resid 8 and name hn ) ( resid 6 and name ha ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 8 and name ha ) 4.20 1.80 1.80
assign ( resid 11 and name hn ) ( resid 9 and name ha ) 3.50 1.50 1.50
assign ( resid 14 and name hn ) ( resid 12 and name ha ) 4.20 1.80 1.80
assign ( resid 17 and name hn ) ( resid 15 and name ha ) 3.50 1.50 1.50
assign ( resid 19 and name hn ) ( resid 16 and name ha ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 23 and name ha ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 29 and name ha ) 4.20 1.80 1.80
assign ( resid 29 and name hn ) ( resid 27 and name ha ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
assign ( resid 33 and name hn ) ( resid 30 and name ha2 ) 4.20 1.80 1.80
assign ( resid 33 and name hn ) ( resid 30 and name ha1 ) 3.50 1.50 1.50
assign ( resid 34 and name hn ) ( resid 35 and name ha ) 4.20 1.80 1.80
assign ( resid 34 and name hn ) ( resid 38 and name ha ) 4.20 1.80 1.80 
assign ( resid 36 and name hn ) ( resid 34 and name ha ) 3.50 1.50 1.50
assign ( resid 37 and name hn ) ( resid 33 and name ha ) 4.20 1.80 1.80
assign ( resid 37 and name hn ) ( resid 35 and name ha ) 4.20 1.80 1.80
assign ( resid 39 and name hn ) ( resid 37 and name ha ) 4.20 1.80 1.80
assign ( resid 43 and name hn ) ( resid 41 and name ha ) 3.50 1.50 1.50
assign ( resid 43 and name hn ) ( resid 41 and name hb* ) 4.10 1.80 2.90
assign ( resid 46 and name hn ) ( resid 44 and name ha ) 3.50 1.50 1.50
assign ( resid 52 and name hn ) ( resid 50 and name ha1 ) 4.20 1.80 1.80
assign ( resid 52 and name hn ) ( resid 50 and name ha2 ) 4.20 1.80 1.80
assign ( resid 60 and name hn ) ( resid 58 and name ha ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 61 and name ha ) 3.50 1.50 1.50 
assign ( resid 4 and name ha ) ( resid 3 and name ha ) 4.20 1.80 1.80
assign ( resid 6 and name ha ) ( resid 7 and name ha ) 4.20 1.80 1.80
assign ( resid 7 and name ha ) ( resid 4 and name hb1 ) 4.20 1.80 1.80
assign ( resid 7 and name ha ) ( resid 4 and name hb2 ) 4.20 1.80 1.80 
assign ( resid 8 and name ha ) ( resid 9 and name ha ) 3.50 1.50 1.50
assign ( resid 8 and name ha ) ( resid 9 and name hb* ) 3.40 1.60 2.60
assign ( resid 8 and name ha ) ( resid 10 and name hb* ) 4.10 1.80 2.90
assign ( resid 8 and name hb2 ) ( resid 11 and name hb1 ) 3.50 1.50 1.50
assign ( resid 8 and name hb2 ) ( resid 11 and name hb2 ) 3.50 1.50 1.50
assign ( resid 8 and name hb2 ) ( resid 10 and name hb* ) 4.10 1.80 2.90
assign ( resid 9 and name ha ) ( resid 8 and name ha ) 3.50 1.50 1.50
assign ( resid 13 and name ha ) ( resid 14 and name hb* ) 3.40 1.60 2.60
assign ( resid 14 and name ha ) ( resid 13 and name ha ) 4.20 1.80 1.80
assign ( resid 14 and name ha ) ( resid 15 and name ha ) 4.20 1.80 1.80
assign ( resid 14 and name ha ) ( resid 15 and name hb1 ) 3.50 1.50 1.50
assign ( resid 14 and name ha ) ( resid 15 and name hb2 ) 4.20 1.80 1.80
assign ( resid 15 and name ha ) ( resid 14 and name hb* ) 4.20 1.80 1.80
assign ( resid 15 and name hb1 ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
assign ( resid 15 and name hb2 ) ( resid 18 and name hg2* ) 3.40 1.60 2.60
assign ( resid 16 and name ha ) ( resid 14 and name hb* ) 4.10 1.80 2.90
assign ( resid 19 and name ha ) ( resid 16 and name ha ) 4.10 1.80 2.90 
assign ( resid 20 and name ha ) ( resid 21 and name hd1* ) 4.10 1.80 2.90 
assign ( resid 20 and name ha ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 23 and name ha ) ( resid 21 and name hb* ) 4.10 1.80 2.90
assign ( resid 23 and name ha ) ( resid 21 and name hd2* ) 4.10 1.80 2.90
assign ( resid 23 and name hd2 ) ( resid 22 and name hd1 ) 4.20 1.80 1.80
assign ( resid 23 and name hd2 ) ( resid 22 and name hd2 ) 4.20 1.80 1.80
assign ( resid 23 and name hd2 ) ( resid 21 and name hb* ) 3.40 1.60 2.60
assign ( resid 24 and name ha2 ) ( resid 25 and name hb* ) 4.10 1.80 2.90
assign ( resid 25 and name ha ) ( resid 26 and name hg1 ) 4.20 1.80 1.80
assign ( resid 25 and name ha ) ( resid 26 and name ha ) 4.20 1.80 1.80
assign ( resid 27 and name ha ) ( resid 28 and name ha2 ) 3.50 1.50 1.50
assign ( resid 27 and name hb1 ) ( resid 26 and name hg1 ) 4.20 1.80 1.80
assign ( resid 27 and name hb1 ) ( resid 26 and name hb1 ) 4.20 1.80 1.80
assign ( resid 27 and name hb1 ) ( resid 26 and name hb2 ) 4.20 1.80 1.80
assign ( resid 28 and name ha2 ) ( resid 29 and name hb1 ) 4.20 1.80 1.80
assign ( resid 28 and name ha2 ) ( resid 29 and name hb2 ) 4.20 1.80 1.80
assign ( resid 28 and name ha2 ) ( resid 29 and name hg* ) 4.10 1.80 2.90
assign ( resid 29 and name ha ) ( resid 33 and name hb1 ) 4.20 1.80 1.80 
assign ( resid 29 and name ha ) ( resid 33 and name hb2 ) 4.20 1.80 1.80
assign ( resid 30 and name ha1 ) ( resid 31 and name hb2 ) 4.20 1.80 1.80
assign ( resid 30 and name ha1 ) ( resid 31 and name hd* ) 2.30 0.50 5.10
assign ( resid 30 and name ha2 ) ( resid 33 and name hb1 ) 4.20 1.80 1.80 
assign ( resid 32 and name ha ) ( resid 31 and name ha ) 4.20 1.80 1.80
assign ( resid 32 and name ha ) ( resid 31 and name hd* ) 4.10 1.80 2.90
assign ( resid 33 and name ha ) ( resid 34 and name hb1 ) 4.20 1.80 1.80
assign ( resid 33 and name ha ) ( resid 34 and name hb2 ) 4.20 1.80 1.80
assign ( resid 33 and name ha ) ( resid 34 and name hg* ) 4.10 1.80 2.90
assign ( resid 34 and name ha ) ( resid 33 and name ha ) 4.20 1.80 1.80
assign ( resid 38 and name ha ) ( resid 37 and name ha ) 4.20 1.80 1.80
assign ( resid 38 and name ha ) ( resid 39 and name ha ) 3.50 1.50 1.50
assign ( resid 39 and name hb1 ) ( resid 43 and name he* ) 4.10 1.80 2.90
assign ( resid 39 and name hb2 ) ( resid 43 and name hd* ) 3.40 1.60 2.60
assign ( resid 39 and name hb2 ) ( resid 43 and name hg1 ) 3.50 1.50 1.50
assign ( resid 39 and name hb2 ) ( resid 43 and name hg2 ) 4.20 1.80 1.80
assign ( resid 40 and name ha ) ( resid 41 and name ha ) 3.50 1.50 1.50
assign ( resid 40 and name ha ) ( resid 38 and name hb2 ) 4.20 1.80 1.80
assign ( resid 40 and name ha ) ( resid 41 and name hb* ) 3.40 1.60 2.60
assign ( resid 42 and name ha2 ) ( resid 41 and name hb* ) 4.10 1.80 2.90
assign ( resid 44 and name ha ) ( resid 42 and name ha2 ) 4.20 1.80 1.80 
assign ( resid 44 and name ha ) ( resid 45 and name hb2 ) 4.20 1.80 1.80
assign ( resid 45 and name ha ) ( resid 46 and name ha ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 44 and name ha ) 3.50 1.50 1.50
assign ( resid 45 and name ha ) ( resid 43 and name hg1 ) 4.20 1.80 1.80
assign ( resid 45 and name ha ) ( resid 43 and name hg2 ) 4.20 1.80 1.80
assign ( resid 45 and name ha ) ( resid 44 and name hd* ) 3.40 1.60 2.60
assign ( resid 46 and name hn ) ( resid 47 and name ha ) 4.10 1.80 2.90
assign ( resid 46 and name ha ) ( resid 47 and name hg2* ) 3.40 1.60 2.60
assign ( resid 46 and name ha ) ( resid 47 and name hd* ) 4.10 1.80 2.90
assign ( resid 48 and name ha ) ( resid 47 and name hg2* ) 4.10 1.80 2.90
assign ( resid 48 and name ha ) ( resid 49 and name hg* ) 4.10 1.80 2.90
assign ( resid 48 and name ha ) ( resid 49 and name hb1 ) 4.10 1.80 2.90
assign ( resid 48 and name ha ) ( resid 49 and name ha ) 4.20 1.80 1.800
assign ( resid 49 and name ha ) ( resid 47 and name hg2* ) 4.10 1.80 2.900
assign ( resid 49 and name ha ) ( resid 50 and name ha1 ) 4.20 1.80 1.80
assign ( resid 49 and name hd* ) ( resid 47 and name hg2* ) 4.10 1.80 3.90
assign ( resid 49 and name hd* ) ( resid 47 and name hd* ) 4.10 1.80 3.90
assign ( resid 49 and name hd* ) ( resid 48 and name hb* ) 4.10 1.80 2.90
assign ( resid 49 and name hg* ) ( resid 48 and name hb* ) 4.10 1.80 2.90
assign ( resid 50 and name ha2 ) ( resid 51 and name hb2 ) 4.10 1.80 2.90
assign ( resid 51 and name ha ) ( resid 50 and name ha1 ) 4.10 1.80 2.90
assign ( resid 56 and name ha ) ( resid 57 and name hb2 ) 4.20 1.80 1.80
assign ( resid 57 and name ha ) ( resid 56 and name ha ) 4.20 1.80 1.80
assign ( resid 57 and name ha ) ( resid 58 and name hg2* ) 3.40 1.60 2.60
assign ( resid 58 and name hb ) ( resid 60 and name hb* ) 3.40 1.60 2.60 
assign ( resid 58 and name hb ) ( resid 60 and name hg* ) 3.40 1.60 2.60
assign ( resid 59 and name ha* ) ( resid 60 and name hg* ) 3.40 1.60 2.60
assign ( resid 63 and name ha ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
assign ( resid 63 and name ha ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 65 and name ha ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 65 and name hd1 ) 2.60 0.80 0.80
assign ( resid 64 and name ha ) ( resid 65 and name hd2 ) 2.60 0.80 0.80
assign ( resid 64 and name ha ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 65 and name hb1 ) 4.20 1.80 1.80
assign ( resid 64 and name ha ) ( resid 65 and name hb2 ) 3.50 1.50 1.50
assign ( resid 64 and name ha ) ( resid 65 and name hg1 ) 3.50 1.50 1.50
assign ( resid 64 and name ha ) ( resid 65 and name hg2 ) 3.50 1.50 1.50
assign ( resid 65 and name ha ) ( resid 63 and name hb1 ) 4.20 1.80 1.80
assign ( resid 65 and name ha ) ( resid 63 and name hb2 ) 4.20 1.80 1.80
assign ( resid 65 and name hd1 ) ( resid 64 and name hb1 ) 4.20 1.80 1.80
assign ( resid 65 and name hd1 ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
assign ( resid 65 and name ha ) ( resid 64 and name ha ) 4.20 1.80 1.80
assign ( resid 65 and name hd2 ) ( resid 64 and name hb1 ) 4.20 1.80 1.80 
assign ( resid 65 and name hd2 ) ( resid 64 and name hb2 ) 4.20 1.80 1.80
assign ( resid 38 and name hd* ) ( resid 34 and name hn ) 4.10 1.80 2.90
assign ( resid 38 and name hd* ) ( resid 37 and name ha ) 4.10 1.80 2.90
assign ( resid 67 and name hd* ) ( resid 66 and name ha ) 4.10 1.80 2.90
assign ( resid 67 and name hd* ) ( resid 67 and name hn ) 2.30 0.50 5.10
assign ( resid 67 and name hd* ) ( resid 68 and name hn ) 2.30 0.50 5.10
assign ( resid 11 and name hd22 ) ( resid 8 and name hn ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 8 and name hb2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 8 and name hb2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 8 and name hn ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd22 ) ( resid 13 and name hn ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 13 and name hb2 ) 4.20 1.80 1.80
assign ( resid 11 and name hd21 ) ( resid 13 and name hn ) 4.20 1.80 1.80




!disulfide bonds
assign (resid 4 and name sg) (resid 19 and name sg) 2.02 0.1 0.1
assign (resid 6 and name sg) (resid 14 and name sg) 2.02 0.1 0.1
assign (resid 13 and name sg) (resid 36 and name sg) 2.02 0.1 0.1
assign (resid 27 and name sg) (resid 33 and name sg) 2.02 0.1 0.1
assign (resid 32 and name sg) (resid 57 and name sg) 2.02 0.1 0.1
assign (resid 45 and name sg) (resid 64 and name sg) 2.02 0.1 0.1

!H-bond
assign ( resid 22 and name hn ) ( resid 13 and name o ) 2.0 0.5 0.5
assign ( resid 15 and name hn ) ( resid 20 and name o ) 2.0 0.5 0.6
assign ( resid 20 and name hn ) ( resid 15 and name o ) 2.0 0.5 0.6

assign ( resid 34 and name hn ) ( resid 37 and name o ) 2.0 0.5 0.5
assign ( resid 37 and name hn ) ( resid 34 and name o ) 2.0 0.5 0.5
assign ( resid 39 and name hn ) ( resid 32 and name o ) 2.0 0.5 0.5

assign ( resid 45 and name hn ) ( resid 55 and name o ) 2.0 0.5 0.5
assign ( resid 57 and name hn ) ( resid 43 and name o ) 2.0 0.5 0.5
assign ( resid 43 and name hn ) ( resid 57 and name o ) 2.0 0.5 0.5

! intra-residue NOEs

assign ( resid 24 and name hn ) ( resid 24 and name ha2 ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 28 and name ha2 ) 3.50 1.50 1.50
assign ( resid 30 and name hn ) ( resid 30 and name ha2 ) 2.60 0.80 0.80
assign ( resid 42 and name hn ) ( resid 42 and name ha2 ) 3.50 1.50 1.50
assign ( resid 24 and name hn ) ( resid 24 and name ha1 ) 3.50 1.50 1.50
assign ( resid 28 and name hn ) ( resid 28 and name ha1 ) 3.50 1.50 1.50
assign ( resid 30 and name hn ) ( resid 30 and name ha1 ) 3.50 1.50 1.50
assign ( resid 42 and name hn ) ( resid 42 and name ha1 ) 2.60 0.80 0.80
assign ( resid 50 and name hn ) ( resid 50 and name ha1 ) 2.60 0.80 0.80
assign ( resid 50 and name hn ) ( resid 50 and name ha2 ) 2.60 0.80 0.80
assign ( resid 59 and name hn ) ( resid 59 and name ha* ) 2.60 0.80 0.80
assign ( resid 4 and name hn ) ( resid 4 and name ha ) 3.50 1.50 1.50
assign ( resid 5 and name hn ) ( resid 5 and name ha ) 3.50 1.50 1.50
assign ( resid 6 and name hn ) ( resid 6 and name ha ) 3.50 1.50 1.50
assign ( resid 7 and name hn ) ( resid 7 and name ha ) 3.50 1.50 1.50
assign ( resid 8 and name hn ) ( resid 8 and name ha ) 3.50 1.50 1.50
assign ( resid 10 and name hn ) ( resid 10 and name ha ) 3.50 1.50 1.50
assign ( resid 11 and name hn ) ( resid 11 and name ha ) 2.60 0.80 0.80
assign ( resid 13 and name hn ) ( resid 13 and name ha ) 3.50 1.50 1.50
assign ( resid 14 and name hn ) ( resid 14 and name ha ) 3.50 1.50 1.50
assign ( resid 15 and name hn ) ( resid 15 and name ha ) 3.50 1.50 1.50
assign ( resid 16 and name hn ) ( resid 16 and name ha ) 2.60 0.80 0.80
assign ( resid 18 and name hn ) ( resid 18 and name ha ) 3.50 1.50 1.50
assign ( resid 19 and name hn ) ( resid 19 and name ha ) 2.60 0.80 0.80
assign ( resid 20 and name hn ) ( resid 20 and name ha ) 3.50 1.50 1.50
assign ( resid 21 and name hn ) ( resid 21 and name ha ) 3.50 1.50 1.50
assign ( resid 25 and name hn ) ( resid 25 and name ha ) 2.60 0.80 0.80
assign ( resid 27 and name hn ) ( resid 27 and name ha ) 2.60 0.80 0.80
assign ( resid 29 and name hn ) ( resid 29 and name ha ) 3.50 1.50 1.50
assign ( resid 31 and name hn ) ( resid 31 and name ha ) 3.50 1.50 1.50
assign ( resid 32 and name hn ) ( resid 32 and name ha ) 3.50 1.50 1.50
assign ( resid 33 and name hn ) ( resid 31 and name ha ) 4.20 1.80 1.80
assign ( resid 33 and name hn ) ( resid 33 and name ha ) 3.50 1.50 1.50
assign ( resid 34 and name hn ) ( resid 34 and name ha ) 3.50 1.50 1.50
assign ( resid 35 and name hn ) ( resid 35 and name ha ) 2.60 0.80 0.80
assign ( resid 36 and name hn ) ( resid 36 and name ha ) 2.60 0.80 0.80
assign ( resid 37 and name hn ) ( resid 37 and name ha ) 3.50 1.50 1.50
assign ( resid 38 and name hn ) ( resid 38 and name ha ) 3.50 1.50 1.50
assign ( resid 39 and name hn ) ( resid 39 and name ha ) 3.50 1.50 1.50
assign ( resid 40 and name hn ) ( resid 40 and name ha ) 2.60 0.80 0.80
assign ( resid 41 and name hn ) ( resid 41 and name ha ) 3.50 1.50 1.50
assign ( resid 43 and name hn ) ( resid 43 and name ha ) 2.60 0.80 0.80
assign ( resid 45 and name hn ) ( resid 45 and name ha ) 3.50 1.50 1.50
assign ( resid 46 and name hn ) ( resid 46 and name ha ) 3.50 1.50 1.50
assign ( resid 47 and name hn ) ( resid 47 and name ha ) 3.50 1.50 1.50
assign ( resid 48 and name hn ) ( resid 48 and name ha ) 2.60 0.80 0.80
assign ( resid 49 and name hn ) ( resid 49 and name ha ) 2.60 0.80 0.80
assign ( resid 51 and name hn ) ( resid 51 and name ha ) 2.60 0.80 0.80
assign ( resid 52 and name hn ) ( resid 52 and name ha ) 3.50 1.50 1.50
assign ( resid 54 and name hn ) ( resid 54 and name ha ) 3.50 1.50 1.50
assign ( resid 55 and name hn ) ( resid 55 and name ha ) 3.50 1.50 1.50
assign ( resid 56 and name hn ) ( resid 56 and name ha ) 3.50 1.50 1.50
assign ( resid 57 and name hn ) ( resid 57 and name ha ) 3.50 1.50 1.50
assign ( resid 58 and name hn ) ( resid 58 and name ha ) 3.50 1.50 1.50
assign ( resid 60 and name hn ) ( resid 60 and name ha ) 3.50 1.50 1.50
assign ( resid 61 and name hn ) ( resid 61 and name ha ) 3.50 1.50 1.50
assign ( resid 62 and name hn ) ( resid 62 and name ha ) 3.50 1.50 1.50
assign ( resid 63 and name hn ) ( resid 63 and name ha ) 3.50 1.50 1.50
assign ( resid 64 and name hn ) ( resid 64 and name ha ) 3.50 1.50 1.50
assign ( resid 66 and name hn ) ( resid 66 and name ha ) 2.60 0.80 0.80
assign ( resid 67 and name hn ) ( resid 67 and name ha ) 2.60 0.80 0.80
assign ( resid 68 and name hn ) ( resid 68 and name ha ) 3.50 1.50 1.50
assign ( resid 3 and name ha ) ( resid 3 and name hb1 ) 2.60 0.80 0.80
assign ( resid 3 and name ha ) ( resid 3 and name hb2 ) 2.60 0.80 0.80
assign ( resid 4 and name ha ) ( resid 4 and name hb1 ) 2.60 0.80 0.80
assign ( resid 4 and name ha ) ( resid 4 and name hb2 ) 3.50 1.50 1.50
assign ( resid 5 and name ha ) ( resid 5 and name hb* ) 3.50 1.50 1.50
assign ( resid 6 and name ha ) ( resid 6 and name hb1 ) 2.60 0.80 0.80
assign ( resid 6 and name ha ) ( resid 6 and name hb2 ) 3.50 1.50 1.50
assign ( resid 7 and name ha ) ( resid 7 and name hb1 ) 2.60 0.80 0.80
assign ( resid 7 and name ha ) ( resid 7 and name hb2 ) 2.60 0.80 0.80
assign ( resid 8 and name ha ) ( resid 8 and name hb1 ) 2.60 0.80 0.80
assign ( resid 8 and name ha ) ( resid 8 and name hb2 ) 2.60 0.80 0.80
assign ( resid 9 and name ha ) ( resid 9 and name hb1 ) 2.60 0.80 0.80
assign ( resid 10 and name ha ) ( resid 10 and name hb* ) 2.60 0.80 0.80
assign ( resid 12 and name ha ) ( resid 12 and name hb1 ) 2.60 0.80 0.80
assign ( resid 13 and name ha ) ( resid 13 and name hb1 ) 2.60 0.80 0.80
assign ( resid 13 and name ha ) ( resid 13 and name hb2 ) 3.50 1.50 1.50
assign ( resid 15 and name ha ) ( resid 15 and name hb1 ) 2.60 0.80 0.80
assign ( resid 15 and name ha ) ( resid 15 and name hb2 ) 2.60 0.80 0.80
assign ( resid 16 and name ha ) ( resid 16 and name hb* ) 2.60 0.80 0.80
assign ( resid 17 and name ha ) ( resid 17 and name hb* ) 2.60 0.80 0.80
assign ( resid 18 and name ha ) ( resid 18 and name hb ) 2.60 0.80 0.80
assign ( resid 19 and name ha ) ( resid 19 and name hb1 ) 2.60 0.80 0.80
assign ( resid 19 and name ha ) ( resid 19 and name hb2 ) 2.60 0.80 0.80
assign ( resid 20 and name ha ) ( resid 20 and name hb1 ) 2.60 0.80 0.80
assign ( resid 20 and name ha ) ( resid 20 and name hb2 ) 3.50 1.50 1.50
assign ( resid 21 and name ha ) ( resid 21 and name hb* ) 3.40 1.60 2.60
assign ( resid 23 and name ha ) ( resid 23 and name hb1 ) 2.60 0.80 0.80
assign ( resid 23 and name ha ) ( resid 23 and name hb2 ) 2.60 0.80 0.80
assign ( resid 25 and name ha ) ( resid 25 and name hb* ) 2.60 0.80 0.80
assign ( resid 26 and name ha ) ( resid 26 and name hb1 ) 3.50 1.50 1.50
assign ( resid 26 and name ha ) ( resid 26 and name hb2 ) 2.60 0.80 0.80
assign ( resid 27 and name ha ) ( resid 27 and name hb1 ) 2.60 0.80 0.80
assign ( resid 27 and name ha ) ( resid 27 and name hb2 ) 2.60 0.80 0.80
assign ( resid 29 and name ha ) ( resid 29 and name hb1 ) 3.50 1.50 1.50
assign ( resid 29 and name ha ) ( resid 29 and name hb2 ) 3.50 1.50 1.50
assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 2.60 0.80 0.80
assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 2.60 0.80 0.80
assign ( resid 31 and name ha ) ( resid 31 and name hb1 ) 2.60 0.80 0.80
assign ( resid 31 and name ha ) ( resid 31 and name hb2 ) 2.60 0.80 0.80
assign ( resid 33 and name ha ) ( resid 33 and name hb1 ) 3.50 1.50 1.50
assign ( resid 33 and name ha ) ( resid 33 and name hb2 ) 3.50 1.50 1.50
assign ( resid 34 and name ha ) ( resid 34 and name hb1 ) 2.60 0.80 0.80
assign ( resid 34 and name ha ) ( resid 34 and name hb2 ) 2.60 0.80 0.80
assign ( resid 36 and name hb1 ) ( resid 36 and name hb2 ) 2.60 0.80 0.80
assign ( resid 37 and name ha ) ( resid 37 and name hb1 ) 3.50 1.50 1.50
assign ( resid 37 and name ha ) ( resid 37 and name hb2 ) 3.50 1.50 1.50
assign ( resid 38 and name ha ) ( resid 38 and name hb1 ) 3.50 1.50 1.50
assign ( resid 38 and name ha ) ( resid 38 and name hb2 ) 3.50 1.50 1.50
assign ( resid 39 and name ha ) ( resid 39 and name hb1 ) 2.60 0.80 0.80
assign ( resid 39 and name ha ) ( resid 39 and name hb2 ) 2.60 0.80 0.80
assign ( resid 40 and name ha ) ( resid 40 and name hb* ) 2.60 0.80 0.80
assign ( resid 41 and name ha ) ( resid 41 and name hb* ) 2.60 0.80 0.80
assign ( resid 43 and name ha ) ( resid 43 and name hb* ) 2.60 0.80 0.80
assign ( resid 44 and name ha ) ( resid 44 and name hb ) 2.60 0.80 0.80
assign ( resid 45 and name ha ) ( resid 45 and name hb1 ) 2.60 0.80 0.80
assign ( resid 45 and name ha ) ( resid 45 and name hb2 ) 2.60 0.80 0.80
assign ( resid 46 and name ha ) ( resid 46 and name hb* ) 2.60 0.80 0.80
assign ( resid 47 and name ha ) ( resid 47 and name hb ) 2.60 0.80 0.80
assign ( resid 48 and name ha ) ( resid 48 and name hb* ) 2.60 0.80 0.80
assign ( resid 49 and name ha ) ( resid 49 and name hb1 ) 2.60 0.80 0.80
assign ( resid 49 and name ha ) ( resid 49 and name hb2 ) 2.60 0.80 0.80
assign ( resid 51 and name ha ) ( resid 51 and name hb1 ) 2.60 0.80 0.80
assign ( resid 51 and name ha ) ( resid 51 and name hb2 ) 2.60 0.80 0.80
assign ( resid 52 and name ha ) ( resid 52 and name hb* ) 2.60 0.80 0.80
assign ( resid 54 and name ha ) ( resid 54 and name hb1 ) 2.60 0.80 0.80
assign ( resid 54 and name ha ) ( resid 54 and name hb2 ) 2.60 0.80 0.80
assign ( resid 55 and name ha ) ( resid 55 and name hb1 ) 2.60 0.80 0.80
assign ( resid 55 and name ha ) ( resid 55 and name hb2 ) 2.60 0.80 0.80
assign ( resid 56 and name ha ) ( resid 56 and name hb* ) 2.60 0.80 0.80
assign ( resid 57 and name ha ) ( resid 57 and name hb1 ) 3.50 1.50 1.50
assign ( resid 57 and name ha ) ( resid 57 and name hb2 ) 3.50 1.50 1.50
assign ( resid 61 and name ha ) ( resid 61 and name hb2 ) 2.60 0.80 0.80
assign ( resid 62 and name ha ) ( resid 62 and name hb* ) 2.60 0.80 0.80
assign ( resid 63 and name ha ) ( resid 63 and name hb1 ) 2.60 0.80 0.80
assign ( resid 63 and name ha ) ( resid 63 and name hb2 ) 2.60 0.80 0.80
assign ( resid 64 and name ha ) ( resid 64 and name hb1 ) 3.50 1.50 1.50
assign ( resid 64 and name ha ) ( resid 64 and name hb2 ) 3.50 1.50 1.50
assign ( resid 65 and name ha ) ( resid 65 and name hb1 ) 2.60 0.80 0.80
assign ( resid 65 and name ha ) ( resid 65 and name hb2 ) 3.50 1.50 1.50
assign ( resid 67 and name ha ) ( resid 67 and name hb1 ) 2.60 0.80 0.80
assign ( resid 67 and name ha ) ( resid 67 and name hb2 ) 2.60 0.80 0.80
assign ( resid 68 and name ha ) ( resid 68 and name hb1 ) 3.50 1.50 1.50
assign ( resid 68 and name ha ) ( resid 68 and name hb2 ) 3.50 1.50 1.50

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          HT1       GLY   1 -10.376 -12.011   9.462
    2   2H    GLY   1          HT2       GLY   1 -11.569 -12.255   8.277
    3   3H    GLY   1          HT3       GLY   1 -11.873 -11.222   9.592
    4   1HA   GLY   1          HA1       GLY   1  -9.622 -10.161   8.511
    5   2HA   GLY   1          HA2       GLY   1 -10.549 -10.682   7.103
    6    H    LYS   2           H        LYS   2 -10.027  -8.020   8.826
    7    HA   LYS   2           HA       LYS   2 -12.583  -7.052   9.614
    8   1HB   LYS   2          HB2       LYS   2  -9.970  -5.819   8.872
    9   2HB   LYS   2          HB1       LYS   2 -11.386  -4.766   8.862
   10   1HG   LYS   2          HG2       LYS   2 -10.854  -6.583  11.204
   11   2HG   LYS   2          HG1       LYS   2 -10.051  -5.017  11.084
   12   1HD   LYS   2          HD2       LYS   2 -12.579  -4.254  10.528
   13   2HD   LYS   2          HD1       LYS   2 -12.918  -5.642  11.563
   14   1HE   LYS   2          HE2       LYS   2 -12.018  -4.650  13.427
   15   2HE   LYS   2          HE1       LYS   2 -10.804  -3.769  12.499
   16   1HZ   LYS   2          HZ1       LYS   2 -12.272  -2.100  11.984
   17   2HZ   LYS   2          HZ2       LYS   2 -12.791  -2.509  13.549
   18   3HZ   LYS   2          HZ3       LYS   2 -13.644  -3.074  12.194
   19    H    GLU   3           H        GLU   3 -13.322  -4.867   8.271
   20    HA   GLU   3           HA       GLU   3 -13.472  -5.520   5.381
   21   1HB   GLU   3          HB2       GLU   3 -15.981  -4.951   6.974
   22   2HB   GLU   3          HB1       GLU   3 -15.859  -5.521   5.308
   23   1HG   GLU   3          HG2       GLU   3 -14.789  -7.619   6.156
   24   2HG   GLU   3          HG1       GLU   3 -15.077  -7.057   7.803
   25    H    CYS   4           H        CYS   4 -12.339  -3.377   7.203
   26    HA   CYS   4           HA       CYS   4 -13.906  -1.013   6.304
   27   1HB   CYS   4          HB2       CYS   4 -11.788  -1.483   8.370
   28   2HB   CYS   4          HB1       CYS   4 -12.039   0.143   7.765
   29    H    ASP   5           H        ASP   5 -13.261  -0.036   4.442
   30    HA   ASP   5           HA       ASP   5 -10.596  -0.633   3.325
   31   1HB   ASP   5          HB2       ASP   5 -12.691  -0.535   1.896
   32   2HB   ASP   5          HB1       ASP   5 -12.723   1.205   2.188
   33    H    CYS   6           H        CYS   6 -12.364   2.003   4.824
   34    HA   CYS   6           HA       CYS   6  -9.800   3.515   5.008
   35   1HB   CYS   6          HB2       CYS   6 -12.292   5.122   4.732
   36   2HB   CYS   6          HB1       CYS   6 -10.665   5.470   4.156
   37    H    SER   7           H        SER   7 -10.796   5.662   6.524
   38    HA   SER   7           HA       SER   7 -12.216   4.390   8.807
   39   1HB   SER   7          HB2       SER   7 -10.483   5.611  10.307
   40   2HB   SER   7          HB1       SER   7  -9.998   4.097   9.550
   41    HG   SER   7           HG       SER   7  -8.413   5.307   8.845
   42    H    SER   8           H        SER   8 -13.484   6.124   7.149
   43    HA   SER   8           HA       SER   8 -13.953   8.413   8.921
   44   1HB   SER   8          HB2       SER   8 -12.060   8.999   7.233
   45   2HB   SER   8          HB1       SER   8 -13.350   9.041   6.036
   46    HG   SER   8           HG       SER   8 -14.029  10.851   6.866
   47    HA   PRO   9           HA       PRO   9 -17.942   7.455   7.207
   48   1HB   PRO   9          HB2       PRO   9 -19.330   9.315   8.679
   49   2HB   PRO   9          HB1       PRO   9 -18.774   7.767   9.338
   50   1HG   PRO   9          HG2       PRO   9 -17.685  10.503   9.804
   51   2HG   PRO   9          HG1       PRO   9 -17.606   9.072  10.844
   52   1HD   PRO   9          HD2       PRO   9 -15.513  10.058   9.204
   53   2HD   PRO   9          HD1       PRO   9 -15.559   8.474  10.006
   54    H    GLU  10           H        GLU  10 -16.730  10.789   7.459
   55    HA   GLU  10           HA       GLU  10 -18.628  11.810   5.487
   56   1HB   GLU  10          HB2       GLU  10 -17.270  13.038   7.440
   57   2HB   GLU  10          HB1       GLU  10 -16.119  13.291   6.128
   58   1HG   GLU  10          HG2       GLU  10 -18.187  14.069   4.759
   59   2HG   GLU  10          HG1       GLU  10 -18.975  14.229   6.329
   60    H    ASN  11           H        ASN  11 -16.055   9.796   5.158
   61    HA   ASN  11           HA       ASN  11 -14.765  11.038   2.855
   62   1HB   ASN  11          HB2       ASN  11 -13.463   9.513   4.221
   63   2HB   ASN  11          HB1       ASN  11 -14.648   8.228   3.989
   64   1HD2  ASN  11          1HD2      ASN  11 -12.229   7.410   3.200
   65   2HD2  ASN  11          2HD2      ASN  11 -12.023   7.495   1.517
   66    HA   PRO  12           HA       PRO  12 -17.986   9.627   0.110
   67   1HB   PRO  12          HB2       PRO  12 -16.861  10.678  -2.170
   68   2HB   PRO  12          HB1       PRO  12 -17.778  11.637  -0.996
   69   1HG   PRO  12          HG2       PRO  12 -14.830  11.537  -1.444
   70   2HG   PRO  12          HG1       PRO  12 -15.824  12.856  -0.805
   71   1HD   PRO  12          HD2       PRO  12 -14.228  11.107   0.735
   72   2HD   PRO  12          HD1       PRO  12 -15.498  12.178   1.363
   73    H    CYS  13           H        CYS  13 -14.571   8.940  -0.158
   74    HA   CYS  13           HA       CYS  13 -14.929   6.928  -2.268
   75   1HB   CYS  13          HB2       CYS  13 -12.656   8.133  -0.780
   76   2HB   CYS  13          HB1       CYS  13 -12.433   6.473  -1.331
   77    H    CYS  14           H        CYS  14 -15.974   6.901   0.753
   78    HA   CYS  14           HA       CYS  14 -15.554   3.985   1.010
   79   1HB   CYS  14          HB2       CYS  14 -14.126   5.855   2.593
   80   2HB   CYS  14          HB1       CYS  14 -15.346   5.120   3.634
   81    H    ASP  15           H        ASP  15 -17.332   2.966   1.691
   82    HA   ASP  15           HA       ASP  15 -19.714   4.592   2.324
   83   1HB   ASP  15          HB2       ASP  15 -19.370   2.364   0.789
   84   2HB   ASP  15          HB1       ASP  15 -19.879   1.639   2.311
   85    H    ALA  16           H        ALA  16 -19.671   5.183   4.483
   86    HA   ALA  16           HA       ALA  16 -18.491   3.749   6.610
   87   1HB   ALA  16          HB1       ALA  16 -20.975   5.488   6.746
   88   2HB   ALA  16          HB2       ALA  16 -19.320   6.095   6.772
   89   3HB   ALA  16          HB3       ALA  16 -19.910   5.086   8.092
   90    H    ALA  17           H        ALA  17 -21.607   3.339   5.039
   91    HA   ALA  17           HA       ALA  17 -22.961   1.763   6.937
   92   1HB   ALA  17          HB1       ALA  17 -22.931   1.320   3.935
   93   2HB   ALA  17          HB2       ALA  17 -23.917   2.530   4.755
   94   3HB   ALA  17          HB3       ALA  17 -24.196   0.815   5.056
   95    H    THR  18           H        THR  18 -20.350   0.895   4.725
   96    HA   THR  18           HA       THR  18 -20.261  -1.790   6.044
   97    HB   THR  18           HB       THR  18 -20.805  -2.313   3.822
   98    HG1  THR  18           HG1      THR  18 -18.038  -2.127   3.450
   99   1HG2  THR  18          1HG2      THR  18 -18.970  -0.035   3.038
  100   2HG2  THR  18          2HG2      THR  18 -20.727  -0.079   2.890
  101   3HG2  THR  18          3HG2      THR  18 -19.731  -1.131   1.883
  102    H    CYS  19           H        CYS  19 -18.687   1.154   5.566
  103    HA   CYS  19           HA       CYS  19 -16.579   1.853   6.389
  104   1HB   CYS  19          HB2       CYS  19 -16.995  -0.304   7.912
  105   2HB   CYS  19          HB1       CYS  19 -15.724  -0.955   6.906
  106    H    LYS  20           H        LYS  20 -17.222   0.253   3.683
  107    HA   LYS  20           HA       LYS  20 -14.343  -0.085   2.964
  108   1HB   LYS  20          HB2       LYS  20 -16.826  -1.496   2.131
  109   2HB   LYS  20          HB1       LYS  20 -15.509  -1.367   0.961
  110   1HG   LYS  20          HG2       LYS  20 -14.390  -2.066   3.492
  111   2HG   LYS  20          HG1       LYS  20 -15.740  -3.155   3.174
  112   1HD   LYS  20          HD2       LYS  20 -14.747  -3.452   0.827
  113   2HD   LYS  20          HD1       LYS  20 -13.297  -2.673   1.462
  114   1HE   LYS  20          HE2       LYS  20 -12.822  -4.925   1.853
  115   2HE   LYS  20          HE1       LYS  20 -13.532  -4.442   3.393
  116   1HZ   LYS  20          HZ1       LYS  20 -15.724  -5.165   2.349
  117   2HZ   LYS  20          HZ2       LYS  20 -14.644  -6.387   2.826
  118   3HZ   LYS  20          HZ3       LYS  20 -14.779  -5.961   1.187
  119    H    LEU  21           H        LEU  21 -14.440   0.030   0.243
  120    HA   LEU  21           HA       LEU  21 -14.621   2.857  -0.239
  121   1HB   LEU  21          HB2       LEU  21 -14.203   0.470  -2.009
  122   2HB   LEU  21          HB1       LEU  21 -14.408   2.081  -2.695
  123    HG   LEU  21           HG       LEU  21 -12.451   1.733  -0.459
  124   1HD1  LEU  21          1HD1      LEU  21 -10.945   0.542  -1.652
  125   2HD1  LEU  21          2HD1      LEU  21 -11.304   1.434  -3.129
  126   3HD1  LEU  21          3HD1      LEU  21 -12.315   0.070  -2.660
  127   1HD2  LEU  21          1HD2      LEU  21 -11.924   3.826  -1.085
  128   2HD2  LEU  21          2HD2      LEU  21 -13.257   3.770  -2.238
  129   3HD2  LEU  21          3HD2      LEU  21 -11.635   3.294  -2.741
  130    H    ARG  22           H        ARG  22 -16.199   4.040  -1.226
  131    HA   ARG  22           HA       ARG  22 -18.829   2.736  -1.519
  132   1HB   ARG  22          HB2       ARG  22 -19.132   4.714  -0.344
  133   2HB   ARG  22          HB1       ARG  22 -17.898   5.577  -1.251
  134   1HG   ARG  22          HG2       ARG  22 -19.331   5.884  -3.119
  135   2HG   ARG  22          HG1       ARG  22 -20.457   4.647  -2.559
  136   1HD   ARG  22          HD2       ARG  22 -20.449   6.388  -0.437
  137   2HD   ARG  22          HD1       ARG  22 -20.264   7.488  -1.802
  138    HE   ARG  22           HE       ARG  22 -22.611   5.776  -1.268
  139   1HH1  ARG  22          1HH2      ARG  22 -21.880   8.782  -2.254
  140   2HH1  ARG  22          2HH2      ARG  22 -22.790   8.769  -3.728
  141   1HH2  ARG  22          1HH1      ARG  22 -23.354   5.347  -3.658
  142   2HH2  ARG  22          2HH1      ARG  22 -23.628   6.823  -4.522
  143    HA   PRO  23           HA       PRO  23 -18.137   4.401  -5.929
  144   1HB   PRO  23          HB2       PRO  23 -15.688   5.469  -6.550
  145   2HB   PRO  23          HB1       PRO  23 -17.037   6.427  -5.914
  146   1HG   PRO  23          HG2       PRO  23 -14.547   5.561  -4.542
  147   2HG   PRO  23          HG1       PRO  23 -15.618   6.920  -4.169
  148   1HD   PRO  23          HD2       PRO  23 -15.524   4.404  -2.831
  149   2HD   PRO  23          HD1       PRO  23 -16.717   5.694  -2.587
  150    H    GLY  24           H        GLY  24 -16.175   3.970  -7.805
  151   1HA   GLY  24          HA2       GLY  24 -15.566   1.106  -7.402
  152   2HA   GLY  24          HA1       GLY  24 -15.426   1.988  -8.924
  153    H    ALA  25           H        ALA  25 -14.108   3.574  -6.191
  154    HA   ALA  25           HA       ALA  25 -11.449   3.593  -7.289
  155   1HB   ALA  25          HB1       ALA  25 -11.643   5.414  -5.924
  156   2HB   ALA  25          HB2       ALA  25 -11.085   4.301  -4.676
  157   3HB   ALA  25          HB3       ALA  25 -12.809   4.621  -4.867
  158    H    GLN  26           H        GLN  26  -9.575   2.482  -6.533
  159    HA   GLN  26           HA       GLN  26 -10.071  -0.209  -5.545
  160   1HB   GLN  26          HB2       GLN  26  -7.855   1.277  -6.708
  161   2HB   GLN  26          HB1       GLN  26  -7.322   0.307  -5.334
  162   1HG   GLN  26          HG2       GLN  26  -7.158  -1.221  -7.097
  163   2HG   GLN  26          HG1       GLN  26  -8.758  -1.581  -6.448
  164   1HE2  GLN  26          1HE2      GLN  26  -7.080  -0.697  -9.301
  165   2HE2  GLN  26          2HE2      GLN  26  -8.430  -0.273 -10.240
  166    H    CYS  27           H        CYS  27  -9.139   2.849  -4.169
  167    HA   CYS  27           HA       CYS  27  -9.425   1.747  -1.465
  168   1HB   CYS  27          HB2       CYS  27  -7.200   2.969  -0.855
  169   2HB   CYS  27          HB1       CYS  27  -7.113   1.357  -1.568
  170    H    GLY  28           H        GLY  28  -9.649   3.485   0.133
  171   1HA   GLY  28          HA2       GLY  28 -10.518   6.029  -1.163
  172   2HA   GLY  28          HA1       GLY  28 -11.144   5.427   0.370
  173    H    GLU  29           H        GLU  29  -8.562   4.681   1.440
  174    HA   GLU  29           HA       GLU  29  -7.043   7.214   1.472
  175   1HB   GLU  29          HB2       GLU  29  -7.284   7.594   3.794
  176   2HB   GLU  29          HB1       GLU  29  -8.914   7.257   3.230
  177   1HG   GLU  29          HG2       GLU  29  -8.969   5.718   4.892
  178   2HG   GLU  29          HG1       GLU  29  -7.983   4.735   3.809
  179    H    GLY  30           H        GLY  30  -4.875   6.906   2.091
  180   1HA   GLY  30          HA2       GLY  30  -3.667   4.875   3.506
  181   2HA   GLY  30          HA1       GLY  30  -3.913   4.155   1.913
  182    H    LEU  31           H        LEU  31  -1.407   5.050   3.367
  183    HA   LEU  31           HA       LEU  31  -0.333   7.390   2.149
  184   1HB   LEU  31          HB2       LEU  31   0.792   4.970   3.485
  185   2HB   LEU  31          HB1       LEU  31   1.896   5.959   2.530
  186    HG   LEU  31           HG       LEU  31   0.040   7.312   4.449
  187   1HD1  LEU  31          1HD1      LEU  31   2.629   6.769   5.631
  188   2HD1  LEU  31          2HD1      LEU  31   1.787   5.264   5.264
  189   3HD1  LEU  31          3HD1      LEU  31   1.022   6.474   6.294
  190   1HD2  LEU  31          1HD2      LEU  31   1.245   8.973   3.456
  191   2HD2  LEU  31          2HD2      LEU  31   2.519   7.867   2.938
  192   3HD2  LEU  31          3HD2      LEU  31   2.508   8.490   4.588
  193    H    CYS  32           H        CYS  32  -1.046   4.317   0.819
  194    HA   CYS  32           HA       CYS  32   0.705   4.906  -1.530
  195   1HB   CYS  32          HB2       CYS  32  -0.502   2.235  -0.770
  196   2HB   CYS  32          HB1       CYS  32   0.735   2.541  -1.990
  197    H    CYS  33           H        CYS  33  -2.248   5.639  -0.716
  198    HA   CYS  33           HA       CYS  33  -3.489   4.622  -3.240
  199   1HB   CYS  33          HB2       CYS  33  -4.683   4.083  -1.094
  200   2HB   CYS  33          HB1       CYS  33  -4.919   5.812  -0.844
  201    H    GLU  34           H        GLU  34  -3.355   6.099  -4.837
  202    HA   GLU  34           HA       GLU  34  -3.504   8.992  -4.102
  203   1HB   GLU  34          HB2       GLU  34  -2.575   9.153  -6.574
  204   2HB   GLU  34          HB1       GLU  34  -1.482   8.778  -5.242
  205   1HG   GLU  34          HG2       GLU  34  -1.644   6.399  -5.717
  206   2HG   GLU  34          HG1       GLU  34  -2.859   6.696  -6.959
  207    H    GLN  35           H        GLN  35  -5.277  10.100  -4.804
  208    HA   GLN  35           HA       GLN  35  -7.295  10.538  -5.912
  209   1HB   GLN  35          HB2       GLN  35  -5.537   9.289  -7.896
  210   2HB   GLN  35          HB1       GLN  35  -7.247   9.019  -8.233
  211   1HG   GLN  35          HG2       GLN  35  -6.649  11.768  -7.391
  212   2HG   GLN  35          HG1       GLN  35  -5.846  11.305  -8.891
  213   1HE2  GLN  35          1HE2      GLN  35  -8.962   9.943  -7.843
  214   2HE2  GLN  35          2HE2      GLN  35  -9.879  10.648  -9.085
  215    H    CYS  36           H        CYS  36  -7.169   8.392  -4.004
  216    HA   CYS  36           HA       CYS  36  -8.516   6.637  -3.240
  217   1HB   CYS  36          HB2       CYS  36 -10.178   7.740  -5.505
  218   2HB   CYS  36          HB1       CYS  36 -10.708   6.338  -4.572
  219    H    LYS  37           H        LYS  37  -6.383   6.166  -5.255
  220    HA   LYS  37           HA       LYS  37  -7.362   3.514  -6.194
  221   1HB   LYS  37          HB2       LYS  37  -6.052   5.677  -7.829
  222   2HB   LYS  37          HB1       LYS  37  -5.836   3.980  -8.263
  223   1HG   LYS  37          HG2       LYS  37  -8.625   4.701  -7.667
  224   2HG   LYS  37          HG1       LYS  37  -7.955   5.546  -9.063
  225   1HD   LYS  37          HD2       LYS  37  -7.090   3.226  -9.809
  226   2HD   LYS  37          HD1       LYS  37  -8.222   2.572  -8.625
  227   1HE   LYS  37          HE2       LYS  37  -9.906   2.831 -10.093
  228   2HE   LYS  37          HE1       LYS  37  -9.599   4.568 -10.132
  229   1HZ   LYS  37          HZ1       LYS  37  -9.410   3.613 -12.332
  230   2HZ   LYS  37          HZ2       LYS  37  -8.229   2.518 -11.790
  231   3HZ   LYS  37          HZ3       LYS  37  -7.900   4.184 -11.815
  232    H    PHE  38           H        PHE  38  -5.583   1.965  -6.518
  233    HA   PHE  38           HA       PHE  38  -3.557   2.194  -4.478
  234   1HB   PHE  38          HB2       PHE  38  -4.009   0.246  -6.744
  235   2HB   PHE  38          HB1       PHE  38  -2.600   0.129  -5.692
  236    HD1  PHE  38           HD1      PHE  38  -3.620   0.888  -3.076
  237    HD2  PHE  38           HD2      PHE  38  -5.467  -1.491  -6.139
  238    HE1  PHE  38           HE1      PHE  38  -4.984  -0.267  -1.357
  239    HE2  PHE  38           HE2      PHE  38  -6.832  -2.645  -4.419
  240    HZ   PHE  38           HZ       PHE  38  -6.591  -2.033  -2.030
  241    H    SER  39           H        SER  39  -1.562   3.116  -4.628
  242    HA   SER  39           HA       SER  39  -0.752   4.489  -7.043
  243   1HB   SER  39          HB2       SER  39   0.983   3.790  -4.658
  244   2HB   SER  39          HB1       SER  39   1.245   5.087  -5.819
  245    HG   SER  39           HG       SER  39  -0.043   6.275  -4.674
  246    H    ARG  40           H        ARG  40   1.575   3.991  -7.947
  247    HA   ARG  40           HA       ARG  40   1.537   1.241  -8.884
  248   1HB   ARG  40          HB2       ARG  40   2.578   3.581  -9.873
  249   2HB   ARG  40          HB1       ARG  40   4.027   2.771  -9.281
  250   1HG   ARG  40          HG2       ARG  40   3.935   1.176 -10.889
  251   2HG   ARG  40          HG1       ARG  40   2.187   0.995 -10.733
  252   1HD   ARG  40          HD2       ARG  40   3.652   3.175 -12.247
  253   2HD   ARG  40          HD1       ARG  40   2.681   1.878 -12.944
  254    HE   ARG  40           HE       ARG  40   1.596   4.189 -11.407
  255   1HH1  ARG  40          1HH1      ARG  40   1.348   2.654 -14.305
  256   2HH1  ARG  40          2HH1      ARG  40  -0.363   2.390 -14.257
  257   1HH2  ARG  40          1HH2      ARG  40  -0.678   3.305 -10.927
  258   2HH2  ARG  40          2HH2      ARG  40  -1.510   2.761 -12.345
  259    H    ALA  41           H        ALA  41   3.556  -0.144  -8.696
  260    HA   ALA  41           HA       ALA  41   4.216  -0.489  -5.897
  261   1HB   ALA  41          HB1       ALA  41   5.968  -1.859  -7.810
  262   2HB   ALA  41          HB2       ALA  41   4.254  -2.121  -8.130
  263   3HB   ALA  41          HB3       ALA  41   4.931  -2.535  -6.555
  264    H    GLY  42           H        GLY  42   6.215  -0.094  -4.877
  265   1HA   GLY  42          HA2       GLY  42   8.493   0.670  -4.784
  266   2HA   GLY  42          HA1       GLY  42   8.343   1.239  -6.448
  267    H    LYS  43           H        LYS  43   5.805   1.962  -4.175
  268    HA   LYS  43           HA       LYS  43   6.409   4.837  -4.474
  269   1HB   LYS  43          HB2       LYS  43   4.115   4.540  -4.667
  270   2HB   LYS  43          HB1       LYS  43   4.083   3.216  -3.511
  271   1HG   LYS  43          HG2       LYS  43   3.002   5.186  -2.542
  272   2HG   LYS  43          HG1       LYS  43   4.498   4.841  -1.673
  273   1HD   LYS  43          HD2       LYS  43   5.673   6.546  -3.024
  274   2HD   LYS  43          HD1       LYS  43   4.169   6.902  -3.876
  275   1HE   LYS  43          HE2       LYS  43   3.866   6.963  -0.963
  276   2HE   LYS  43          HE1       LYS  43   5.031   8.148  -1.554
  277   1HZ   LYS  43          HZ1       LYS  43   3.325   8.830  -3.204
  278   2HZ   LYS  43          HZ2       LYS  43   2.887   9.139  -1.591
  279   3HZ   LYS  43          HZ3       LYS  43   2.212   7.817  -2.420
  280    H    ILE  44           H        ILE  44   7.873   5.687  -3.094
  281    HA   ILE  44           HA       ILE  44   8.689   4.466  -0.643
  282    HB   ILE  44           HB       ILE  44  10.105   6.051  -1.901
  283   1HG1  ILE  44          2HG1      ILE  44  10.883   7.368   0.047
  284   2HG1  ILE  44          1HG1      ILE  44   9.384   6.989   0.895
  285   1HG2  ILE  44          1HG2      ILE  44   9.496   8.211  -2.350
  286   2HG2  ILE  44          2HG2      ILE  44   8.646   8.397  -0.816
  287   3HG2  ILE  44          3HG2      ILE  44   7.868   7.559  -2.159
  288   1HD1  ILE  44          1HD1      ILE  44   9.908   4.641   0.938
  289   2HD1  ILE  44          2HD1      ILE  44  11.345   5.499   1.495
  290   3HD1  ILE  44          3HD1      ILE  44  11.277   4.869  -0.151
  291    H    CYS  45           H        CYS  45   6.707   4.088   0.528
  292    HA   CYS  45           HA       CYS  45   5.115   6.409   1.401
  293   1HB   CYS  45          HB2       CYS  45   3.898   4.676   2.748
  294   2HB   CYS  45          HB1       CYS  45   3.931   4.327   1.022
  295    H    ARG  46           H        ARG  46   7.610   4.258   2.630
  296    HA   ARG  46           HA       ARG  46   7.809   6.020   5.040
  297   1HB   ARG  46          HB2       ARG  46   7.409   3.114   4.890
  298   2HB   ARG  46          HB1       ARG  46   8.784   3.577   5.894
  299   1HG   ARG  46          HG2       ARG  46   6.268   5.140   6.239
  300   2HG   ARG  46          HG1       ARG  46   6.283   3.490   6.865
  301   1HD   ARG  46          HD2       ARG  46   7.161   4.565   8.703
  302   2HD   ARG  46          HD1       ARG  46   8.659   4.290   7.812
  303    HE   ARG  46           HE       ARG  46   7.498   6.787   7.001
  304   1HH1  ARG  46          1HH2      ARG  46   9.683   5.201   9.089
  305   2HH1  ARG  46          2HH2      ARG  46  10.165   6.642   9.922
  306   1HH2  ARG  46          1HH1      ARG  46   7.875   8.669   8.294
  307   2HH2  ARG  46          2HH1      ARG  46   9.144   8.602   9.472
  308    H    ILE  47           H        ILE  47   9.707   7.098   4.766
  309    HA   ILE  47           HA       ILE  47  11.974   5.702   3.442
  310    HB   ILE  47           HB       ILE  47  11.267   8.009   2.696
  311   1HG1  ILE  47          2HG1      ILE  47  13.773   8.911   3.189
  312   2HG1  ILE  47          1HG1      ILE  47  13.987   7.207   3.590
  313   1HG2  ILE  47          1HG2      ILE  47  11.095   9.715   4.167
  314   2HG2  ILE  47          2HG2      ILE  47  12.660   9.341   4.890
  315   3HG2  ILE  47          3HG2      ILE  47  11.211   8.498   5.439
  316   1HD1  ILE  47          1HD1      ILE  47  13.598   8.465   0.973
  317   2HD1  ILE  47          2HD1      ILE  47  12.502   7.111   1.252
  318   3HD1  ILE  47          3HD1      ILE  47  14.247   6.873   1.368
  319    H    ALA  48           H        ALA  48  11.835   4.457   5.692
  320    HA   ALA  48           HA       ALA  48  12.696   5.580   8.110
  321   1HB   ALA  48          HB1       ALA  48  12.071   3.294   8.154
  322   2HB   ALA  48          HB2       ALA  48  13.805   3.279   8.471
  323   3HB   ALA  48          HB3       ALA  48  13.199   2.876   6.864
  324    H    ARG  49           H        ARG  49  14.533   6.646   8.652
  325    HA   ARG  49           HA       ARG  49  16.925   6.289   6.895
  326   1HB   ARG  49          HB2       ARG  49  17.617   8.508   7.606
  327   2HB   ARG  49          HB1       ARG  49  15.945   8.597   7.051
  328   1HG   ARG  49          HG2       ARG  49  15.807   7.930   9.789
  329   2HG   ARG  49          HG1       ARG  49  17.021   9.203   9.666
  330   1HD   ARG  49          HD2       ARG  49  15.297  10.405   8.142
  331   2HD   ARG  49          HD1       ARG  49  14.126   9.282   8.834
  332    HE   ARG  49           HE       ARG  49  15.281  10.285  11.080
  333   1HH1  ARG  49          1HH2      ARG  49  15.796  12.441   8.744
  334   2HH1  ARG  49          2HH2      ARG  49  14.643  13.630   9.251
  335   1HH2  ARG  49          1HH1      ARG  49  13.069  11.523  11.511
  336   2HH2  ARG  49          2HH1      ARG  49  13.096  13.110  10.818
  337    H    GLY  50           H        GLY  50  18.956   5.908   7.890
  338   1HA   GLY  50          HA2       GLY  50  20.171   5.973  10.146
  339   2HA   GLY  50          HA1       GLY  50  18.775   5.088  10.762
  340    H    ASP  51           H        ASP  51  19.615   3.076  11.197
  341    HA   ASP  51           HA       ASP  51  21.481   1.812   9.296
  342   1HB   ASP  51          HB2       ASP  51  21.959   1.490  11.644
  343   2HB   ASP  51          HB1       ASP  51  20.321   0.909  11.947
  344    H    MET  52           H        MET  52  18.257   2.229   9.248
  345    HA   MET  52           HA       MET  52  17.718  -0.524   8.211
  346   1HB   MET  52          HB2       MET  52  15.856   1.576   9.356
  347   2HB   MET  52          HB1       MET  52  15.287   0.120   8.539
  348   1HG   MET  52          HG2       MET  52  16.604  -1.248  10.174
  349   2HG   MET  52          HG1       MET  52  17.001   0.238  11.037
  350   1HE   MET  52          HE1       MET  52  15.353  -2.374  12.357
  351   2HE   MET  52          HE2       MET  52  14.538  -1.290  13.481
  352   3HE   MET  52          HE3       MET  52  16.210  -0.978  13.023
  353    HA   PRO  53           HA       PRO  53  17.165   1.243   4.226
  354   1HB   PRO  53          HB2       PRO  53  15.466  -0.632   3.154
  355   2HB   PRO  53          HB1       PRO  53  17.197  -0.914   3.412
  356   1HG   PRO  53          HG2       PRO  53  14.873  -1.958   4.964
  357   2HG   PRO  53          HG1       PRO  53  16.488  -2.656   4.755
  358   1HD   PRO  53          HD2       PRO  53  15.572  -1.254   7.038
  359   2HD   PRO  53          HD1       PRO  53  17.263  -1.663   6.672
  360    H    ASP  54           H        ASP  54  15.150   1.606   2.601
  361    HA   ASP  54           HA       ASP  54  13.151   3.106   4.184
  362   1HB   ASP  54          HB2       ASP  54  13.383   2.974   1.170
  363   2HB   ASP  54          HB1       ASP  54  12.615   4.229   2.144
  364    H    ASP  55           H        ASP  55  10.937   3.031   2.553
  365    HA   ASP  55           HA       ASP  55  10.249   0.158   2.207
  366   1HB   ASP  55          HB2       ASP  55   9.360   1.804   4.386
  367   2HB   ASP  55          HB1       ASP  55   7.978   1.440   3.352
  368    H    ARG  56           H        ARG  56   9.148  -0.113   0.314
  369    HA   ARG  56           HA       ARG  56   7.842   2.308  -0.867
  370   1HB   ARG  56          HB2       ARG  56   9.069  -0.016  -2.379
  371   2HB   ARG  56          HB1       ARG  56   8.438   1.481  -3.067
  372   1HG   ARG  56          HG2       ARG  56  10.337   2.182  -1.054
  373   2HG   ARG  56          HG1       ARG  56  11.075   0.961  -2.091
  374   1HD   ARG  56          HD2       ARG  56   9.985   2.464  -4.010
  375   2HD   ARG  56          HD1       ARG  56  10.138   3.713  -2.774
  376    HE   ARG  56           HE       ARG  56  12.626   2.649  -2.721
  377   1HH1  ARG  56          1HH2      ARG  56  11.112   2.075  -5.590
  378   2HH1  ARG  56          2HH2      ARG  56  12.135   3.074  -6.567
  379   1HH2  ARG  56          1HH1      ARG  56  13.709   4.567  -3.864
  380   2HH2  ARG  56          2HH1      ARG  56  13.604   4.484  -5.590
  381    H    CYS  57           H        CYS  57   5.726   2.065  -1.544
  382    HA   CYS  57           HA       CYS  57   4.173  -0.134  -0.596
  383   1HB   CYS  57          HB2       CYS  57   3.392   1.628  -2.924
  384   2HB   CYS  57          HB1       CYS  57   2.331   0.829  -1.768
  385    H    THR  58           H        THR  58   3.196  -1.861  -1.745
  386    HA   THR  58           HA       THR  58   4.845  -3.021  -3.832
  387    HB   THR  58           HB       THR  58   3.570  -4.950  -3.538
  388    HG1  THR  58           HG1      THR  58   1.588  -4.166  -4.131
  389   1HG2  THR  58          1HG2      THR  58   3.620  -5.265  -1.272
  390   2HG2  THR  58          2HG2      THR  58   2.681  -3.808  -0.946
  391   3HG2  THR  58          3HG2      THR  58   4.404  -3.686  -1.300
  392    H    GLY  59           H        GLY  59   2.540  -0.640  -3.937
  393   1HA   GLY  59          HA2       GLY  59   1.701   0.397  -5.907
  394   2HA   GLY  59          HA1       GLY  59   2.180  -1.024  -6.834
  395    H    GLN  60           H        GLN  60   0.756  -2.527  -4.455
  396    HA   GLN  60           HA       GLN  60  -1.993  -2.248  -5.602
  397   1HB   GLN  60          HB2       GLN  60  -1.131  -4.765  -4.233
  398   2HB   GLN  60          HB1       GLN  60  -2.259  -4.550  -5.572
  399   1HG   GLN  60          HG2       GLN  60   0.023  -3.686  -6.751
  400   2HG   GLN  60          HG1       GLN  60   0.693  -4.861  -5.618
  401   1HE2  GLN  60          1HE2      GLN  60   0.955  -5.576  -8.248
  402   2HE2  GLN  60          2HE2      GLN  60  -0.165  -6.778  -8.673
  403    H    SER  61           H        SER  61  -0.033  -2.011  -2.822
  404    HA   SER  61           HA       SER  61  -2.231  -2.513  -0.921
  405   1HB   SER  61          HB2       SER  61  -0.007  -1.195   0.308
  406   2HB   SER  61          HB1       SER  61  -0.519  -2.871   0.492
  407    HG   SER  61           HG       SER  61   0.690  -3.371  -1.362
  408    H    ALA  62           H        ALA  62  -3.158  -0.855   0.407
  409    HA   ALA  62           HA       ALA  62  -3.177   1.800  -0.903
  410   1HB   ALA  62          HB1       ALA  62  -4.949   2.088   1.098
  411   2HB   ALA  62          HB2       ALA  62  -4.966   0.328   0.974
  412   3HB   ALA  62          HB3       ALA  62  -5.377   1.315  -0.429
  413    H    ASP  63           H        ASP  63  -2.967   0.621   2.486
  414    HA   ASP  63           HA       ASP  63  -1.735   3.148   3.309
  415   1HB   ASP  63          HB2       ASP  63  -1.953   0.585   4.908
  416   2HB   ASP  63          HB1       ASP  63  -1.738   2.222   5.530
  417    H    CYS  64           H        CYS  64   0.264   2.427   5.038
  418    HA   CYS  64           HA       CYS  64   2.199   0.913   3.343
  419   1HB   CYS  64          HB2       CYS  64   2.699   3.282   3.065
  420   2HB   CYS  64          HB1       CYS  64   2.709   3.517   4.811
  421    HA   PRO  65           HA       PRO  65   2.700  -1.172   7.197
  422   1HB   PRO  65          HB2       PRO  65   4.317  -3.109   6.140
  423   2HB   PRO  65          HB1       PRO  65   2.558  -3.133   5.994
  424   1HG   PRO  65          HG2       PRO  65   4.622  -2.552   3.939
  425   2HG   PRO  65          HG1       PRO  65   2.948  -3.089   3.725
  426   1HD   PRO  65          HD2       PRO  65   3.936  -0.441   3.396
  427   2HD   PRO  65          HD1       PRO  65   2.234  -0.949   3.391
  428    H    ARG  66           H        ARG  66   5.141  -2.517   7.721
  429    HA   ARG  66           HA       ARG  66   7.122  -0.275   7.678
  430   1HB   ARG  66          HB2       ARG  66   5.878  -1.202   9.932
  431   2HB   ARG  66          HB1       ARG  66   7.319  -2.219   9.897
  432   1HG   ARG  66          HG2       ARG  66   8.683  -0.488  10.423
  433   2HG   ARG  66          HG1       ARG  66   7.885   0.591   9.278
  434   1HD   ARG  66          HD2       ARG  66   6.843  -0.141  12.029
  435   2HD   ARG  66          HD1       ARG  66   7.583   1.397  11.586
  436    HE   ARG  66           HE       ARG  66   5.047   0.448  10.314
  437   1HH1  ARG  66          1HH2      ARG  66   7.136   3.014  10.325
  438   2HH1  ARG  66          2HH2      ARG  66   5.972   4.217  10.771
  439   1HH2  ARG  66          1HH1      ARG  66   3.491   1.916  11.529
  440   2HH2  ARG  66          2HH1      ARG  66   3.909   3.595  11.452
  441    H    TYR  67           H        TYR  67   9.199  -1.829   8.903
  442    HA   TYR  67           HA       TYR  67   9.965  -3.454   6.559
  443   1HB   TYR  67          HB2       TYR  67  11.659  -1.952   7.427
  444   2HB   TYR  67          HB1       TYR  67  11.480  -2.620   9.051
  445    HD1  TYR  67           HD2      TYR  67  11.618  -4.353   5.737
  446    HD2  TYR  67           HD1      TYR  67  13.515  -3.697   9.536
  447    HE1  TYR  67           HE2      TYR  67  13.289  -6.106   5.205
  448    HE2  TYR  67           HE1      TYR  67  15.186  -5.451   9.003
  449    HH   TYR  67           HH       TYR  67  14.862  -7.500   6.183
  450    H    HIS  68           H        HIS  68   9.139  -3.870   9.962
  451    HA   HIS  68           HA       HIS  68   9.609  -6.801   9.691
  452   1HB   HIS  68          HB2       HIS  68   9.067  -6.665  12.247
  453   2HB   HIS  68          HB1       HIS  68  10.636  -6.097  11.678
  454    HD1  HIS  68           HD1      HIS  68  11.021  -3.518  11.591
  455    HD2  HIS  68           HD2      HIS  68   7.333  -4.626  13.186
  456    HE1  HIS  68           HE1      HIS  68  10.065  -1.446  12.691
  Start of MODEL    2
    1   1H    GLY   1          HT1       GLY   1 -12.606 -10.812  10.446
    2   2H    GLY   1          HT2       GLY   1 -11.910  -9.292  10.746
    3   3H    GLY   1          HT3       GLY   1 -12.788  -9.561   9.316
    4   1HA   GLY   1          HA1       GLY   1 -14.828  -9.781  10.516
    5   2HA   GLY   1          HA2       GLY   1 -13.953  -9.678  12.044
    6    H    LYS   2           H        LYS   2 -13.727  -7.784   9.013
    7    HA   LYS   2           HA       LYS   2 -14.267  -5.342  10.659
    8   1HB   LYS   2          HB2       LYS   2 -11.892  -6.002   9.296
    9   2HB   LYS   2          HB1       LYS   2 -12.691  -4.797   8.287
   10   1HG   LYS   2          HG2       LYS   2 -12.033  -3.185   9.709
   11   2HG   LYS   2          HG1       LYS   2 -12.968  -3.952  10.992
   12   1HD   LYS   2          HD2       LYS   2 -10.825  -4.003  11.906
   13   2HD   LYS   2          HD1       LYS   2 -10.899  -5.582  11.122
   14   1HE   LYS   2          HE2       LYS   2 -10.053  -3.825   9.107
   15   2HE   LYS   2          HE1       LYS   2  -9.156  -3.329  10.544
   16   1HZ   LYS   2          HZ1       LYS   2  -7.815  -5.010   9.953
   17   2HZ   LYS   2          HZ2       LYS   2  -9.002  -5.788   9.019
   18   3HZ   LYS   2          HZ3       LYS   2  -8.979  -5.988  10.707
   19    H    GLU   3           H        GLU   3 -15.456  -3.676   9.578
   20    HA   GLU   3           HA       GLU   3 -16.666  -4.477   6.964
   21   1HB   GLU   3          HB2       GLU   3 -18.098  -4.671   9.208
   22   2HB   GLU   3          HB1       GLU   3 -18.300  -2.939   8.942
   23   1HG   GLU   3          HG2       GLU   3 -19.269  -3.287   6.784
   24   2HG   GLU   3          HG1       GLU   3 -18.799  -4.987   6.773
   25    H    CYS   4           H        CYS   4 -14.538  -2.498   8.039
   26    HA   CYS   4           HA       CYS   4 -15.676  -0.076   6.690
   27   1HB   CYS   4          HB2       CYS   4 -13.973  -0.362   9.139
   28   2HB   CYS   4          HB1       CYS   4 -13.849   1.098   8.181
   29    H    ASP   5           H        ASP   5 -14.478   0.647   4.974
   30    HA   ASP   5           HA       ASP   5 -11.862  -0.690   4.471
   31   1HB   ASP   5          HB2       ASP   5 -13.747  -0.744   2.733
   32   2HB   ASP   5          HB1       ASP   5 -13.439   0.978   2.503
   33    H    CYS   6           H        CYS   6 -13.401   2.410   4.989
   34    HA   CYS   6           HA       CYS   6 -10.697   3.692   4.885
   35   1HB   CYS   6          HB2       CYS   6 -11.713   5.732   4.126
   36   2HB   CYS   6          HB1       CYS   6 -12.361   4.447   3.111
   37    H    SER   7           H        SER   7 -10.789   5.818   6.317
   38    HA   SER   7           HA       SER   7 -11.857   4.959   8.951
   39   1HB   SER   7          HB2       SER   7 -10.012   7.281   8.331
   40   2HB   SER   7          HB1       SER   7 -10.335   6.572   9.911
   41    HG   SER   7           HG       SER   7  -8.383   5.918   8.491
   42    H    SER   8           H        SER   8 -11.875   7.800   6.786
   43    HA   SER   8           HA       SER   8 -13.902   9.112   8.465
   44   1HB   SER   8          HB2       SER   8 -12.000   9.948   6.503
   45   2HB   SER   8          HB1       SER   8 -13.601  10.416   5.940
   46    HG   SER   8           HG       SER   8 -12.650  11.983   7.328
   47    HA   PRO   9           HA       PRO   9 -17.238   7.354   6.144
   48   1HB   PRO   9          HB2       PRO   9 -19.223   8.928   7.212
   49   2HB   PRO   9          HB1       PRO   9 -18.490   7.562   8.071
   50   1HG   PRO   9          HG2       PRO   9 -18.091  10.481   8.508
   51   2HG   PRO   9          HG1       PRO   9 -17.903   9.140   9.650
   52   1HD   PRO   9          HD2       PRO   9 -15.805  10.500   8.308
   53   2HD   PRO   9          HD1       PRO   9 -15.659   8.978   9.214
   54    H    GLU  10           H        GLU  10 -16.429  10.758   6.120
   55    HA   GLU  10           HA       GLU  10 -18.230  11.273   3.821
   56   1HB   GLU  10          HB2       GLU  10 -17.057  12.875   5.914
   57   2HB   GLU  10          HB1       GLU  10 -16.610  13.536   4.341
   58   1HG   GLU  10          HG2       GLU  10 -19.229  12.986   3.893
   59   2HG   GLU  10          HG1       GLU  10 -19.278  13.346   5.620
   60    H    ASN  11           H        ASN  11 -16.162   9.422   3.325
   61    HA   ASN  11           HA       ASN  11 -14.227  10.998   1.684
   62   1HB   ASN  11          HB2       ASN  11 -13.260   9.452   3.388
   63   2HB   ASN  11          HB1       ASN  11 -14.069   8.105   2.588
   64   1HD2  ASN  11          1HD2      ASN  11 -11.102   8.701   2.882
   65   2HD2  ASN  11          2HD2      ASN  11 -10.499   8.693   1.296
   66    HA   PRO  12           HA       PRO  12 -16.556   9.436  -1.771
   67   1HB   PRO  12          HB2       PRO  12 -14.886  10.429  -3.721
   68   2HB   PRO  12          HB1       PRO  12 -16.079  11.412  -2.855
   69   1HG   PRO  12          HG2       PRO  12 -13.114  11.329  -2.516
   70   2HG   PRO  12          HG1       PRO  12 -14.242  12.660  -2.211
   71   1HD   PRO  12          HD2       PRO  12 -13.103  11.004  -0.238
   72   2HD   PRO  12          HD1       PRO  12 -14.511  12.059  -0.012
   73    H    CYS  13           H        CYS  13 -13.663   8.318  -0.616
   74    HA   CYS  13           HA       CYS  13 -13.158   6.470  -2.889
   75   1HB   CYS  13          HB2       CYS  13 -11.557   6.769  -0.339
   76   2HB   CYS  13          HB1       CYS  13 -11.040   5.998  -1.836
   77    H    CYS  14           H        CYS  14 -15.006   6.587  -0.119
   78    HA   CYS  14           HA       CYS  14 -15.199   3.640  -0.105
   79   1HB   CYS  14          HB2       CYS  14 -14.888   3.433   2.274
   80   2HB   CYS  14          HB1       CYS  14 -13.505   4.324   1.641
   81    H    ASP  15           H        ASP  15 -17.215   2.914   0.326
   82    HA   ASP  15           HA       ASP  15 -19.403   4.811   0.294
   83   1HB   ASP  15          HB2       ASP  15 -19.176   2.283  -0.560
   84   2HB   ASP  15          HB1       ASP  15 -19.830   1.956   1.042
   85    H    ALA  16           H        ALA  16 -19.751   5.986   2.145
   86    HA   ALA  16           HA       ALA  16 -19.127   5.084   4.793
   87   1HB   ALA  16          HB1       ALA  16 -20.115   7.456   3.594
   88   2HB   ALA  16          HB2       ALA  16 -19.625   7.232   5.273
   89   3HB   ALA  16          HB3       ALA  16 -21.306   6.978   4.804
   90    H    ALA  17           H        ALA  17 -21.905   4.683   2.711
   91    HA   ALA  17           HA       ALA  17 -23.916   4.010   4.561
   92   1HB   ALA  17          HB1       ALA  17 -25.028   3.548   2.654
   93   2HB   ALA  17          HB2       ALA  17 -23.976   2.167   2.340
   94   3HB   ALA  17          HB3       ALA  17 -23.522   3.772   1.764
   95    H    THR  18           H        THR  18 -21.187   2.106   3.379
   96    HA   THR  18           HA       THR  18 -21.891   0.018   5.404
   97    HB   THR  18           HB       THR  18 -22.120  -1.133   3.374
   98    HG1  THR  18           HG1      THR  18 -19.342  -1.331   3.884
   99   1HG2  THR  18          1HG2      THR  18 -20.520  -0.798   1.471
  100   2HG2  THR  18          2HG2      THR  18 -19.766   0.502   2.394
  101   3HG2  THR  18          3HG2      THR  18 -21.446   0.646   1.874
  102    H    CYS  19           H        CYS  19 -19.764   2.461   4.631
  103    HA   CYS  19           HA       CYS  19 -17.751   3.077   5.713
  104   1HB   CYS  19          HB2       CYS  19 -18.776   1.454   7.553
  105   2HB   CYS  19          HB1       CYS  19 -17.521   0.383   6.984
  106    H    LYS  20           H        LYS  20 -18.207   0.651   3.517
  107    HA   LYS  20           HA       LYS  20 -15.376  -0.226   3.477
  108   1HB   LYS  20          HB2       LYS  20 -17.914  -1.151   2.234
  109   2HB   LYS  20          HB1       LYS  20 -16.415  -1.480   1.360
  110   1HG   LYS  20          HG2       LYS  20 -15.489  -2.637   3.270
  111   2HG   LYS  20          HG1       LYS  20 -16.853  -2.156   4.279
  112   1HD   LYS  20          HD2       LYS  20 -17.132  -4.479   3.531
  113   2HD   LYS  20          HD1       LYS  20 -18.379  -3.454   2.819
  114   1HE   LYS  20          HE2       LYS  20 -17.125  -3.313   0.729
  115   2HE   LYS  20          HE1       LYS  20 -15.798  -4.236   1.434
  116   1HZ   LYS  20          HZ1       LYS  20 -17.035  -6.164   1.464
  117   2HZ   LYS  20          HZ2       LYS  20 -17.548  -5.447   0.012
  118   3HZ   LYS  20          HZ3       LYS  20 -18.522  -5.352   1.401
  119    H    LEU  21           H        LEU  21 -14.563  -0.457   1.046
  120    HA   LEU  21           HA       LEU  21 -14.017   2.186   0.127
  121   1HB   LEU  21          HB2       LEU  21 -13.455  -0.547  -0.782
  122   2HB   LEU  21          HB1       LEU  21 -13.584   0.635  -2.084
  123    HG   LEU  21           HG       LEU  21 -11.994   1.403   0.324
  124   1HD1  LEU  21          1HD1      LEU  21 -11.456  -1.032  -0.806
  125   2HD1  LEU  21          2HD1      LEU  21 -10.234   0.001  -0.062
  126   3HD1  LEU  21          3HD1      LEU  21 -10.474   0.036  -1.810
  127   1HD2  LEU  21          1HD2      LEU  21 -11.521   3.087  -1.057
  128   2HD2  LEU  21          2HD2      LEU  21 -12.489   2.332  -2.319
  129   3HD2  LEU  21          3HD2      LEU  21 -10.779   1.950  -2.179
  130    H    ARG  22           H        ARG  22 -14.265   2.305  -2.478
  131    HA   ARG  22           HA       ARG  22 -17.185   2.166  -3.027
  132   1HB   ARG  22          HB2       ARG  22 -15.161   4.269  -3.441
  133   2HB   ARG  22          HB1       ARG  22 -16.119   3.922  -4.880
  134   1HG   ARG  22          HG2       ARG  22 -18.135   4.002  -3.168
  135   2HG   ARG  22          HG1       ARG  22 -17.009   4.976  -2.221
  136   1HD   ARG  22          HD2       ARG  22 -16.704   6.055  -4.727
  137   2HD   ARG  22          HD1       ARG  22 -18.419   5.641  -4.720
  138    HE   ARG  22           HE       ARG  22 -17.103   7.594  -2.923
  139   1HH1  ARG  22          1HH1      ARG  22 -19.166   5.990  -1.439
  140   2HH1  ARG  22          2HH1      ARG  22 -20.599   6.928  -1.695
  141   1HH2  ARG  22          1HH2      ARG  22 -19.260   8.744  -4.328
  142   2HH2  ARG  22          2HH2      ARG  22 -20.654   8.486  -3.331
  143    HA   PRO  23           HA       PRO  23 -16.168  -0.704  -6.196
  144   1HB   PRO  23          HB2       PRO  23 -18.264  -0.137  -7.911
  145   2HB   PRO  23          HB1       PRO  23 -18.417  -1.119  -6.443
  146   1HG   PRO  23          HG2       PRO  23 -19.176   1.762  -6.872
  147   2HG   PRO  23          HG1       PRO  23 -19.977   0.528  -5.880
  148   1HD   PRO  23          HD2       PRO  23 -18.326   2.471  -4.795
  149   2HD   PRO  23          HD1       PRO  23 -18.562   0.872  -4.069
  150    H    GLY  24           H        GLY  24 -15.968   2.644  -6.567
  151   1HA   GLY  24          HA2       GLY  24 -14.909   2.371  -9.348
  152   2HA   GLY  24          HA1       GLY  24 -15.523   3.880  -8.669
  153    H    ALA  25           H        ALA  25 -13.551   1.695  -6.774
  154    HA   ALA  25           HA       ALA  25 -11.061   3.155  -7.295
  155   1HB   ALA  25          HB1       ALA  25 -11.225   3.442  -4.536
  156   2HB   ALA  25          HB2       ALA  25 -12.846   3.869  -5.087
  157   3HB   ALA  25          HB3       ALA  25 -11.445   4.731  -5.719
  158    H    GLN  26           H        GLN  26  -9.374   2.356  -5.513
  159    HA   GLN  26           HA       GLN  26  -9.925  -0.541  -4.996
  160   1HB   GLN  26          HB2       GLN  26  -7.944   0.617  -6.658
  161   2HB   GLN  26          HB1       GLN  26  -7.105   0.025  -5.223
  162   1HG   GLN  26          HG2       GLN  26  -7.136  -1.915  -6.480
  163   2HG   GLN  26          HG1       GLN  26  -8.664  -2.091  -5.619
  164   1HE2  GLN  26          1HE2      GLN  26  -7.248  -1.852  -8.747
  165   2HE2  GLN  26          2HE2      GLN  26  -8.687  -1.704  -9.634
  166    H    CYS  27           H        CYS  27  -9.104   2.470  -3.671
  167    HA   CYS  27           HA       CYS  27  -8.613   1.222  -1.041
  168   1HB   CYS  27          HB2       CYS  27  -6.631   2.734  -0.673
  169   2HB   CYS  27          HB1       CYS  27  -6.346   1.438  -1.832
  170    H    GLY  28           H        GLY  28  -9.153   2.644   0.676
  171   1HA   GLY  28          HA2       GLY  28 -10.704   5.012  -0.190
  172   2HA   GLY  28          HA1       GLY  28 -10.799   4.252   1.395
  173    H    GLU  29           H        GLU  29  -8.198   4.068   2.099
  174    HA   GLU  29           HA       GLU  29  -6.933   6.701   1.742
  175   1HB   GLU  29          HB2       GLU  29  -6.875   7.083   4.180
  176   2HB   GLU  29          HB1       GLU  29  -8.520   7.071   3.562
  177   1HG   GLU  29          HG2       GLU  29  -9.071   5.238   4.762
  178   2HG   GLU  29          HG1       GLU  29  -7.577   4.409   4.328
  179    H    GLY  30           H        GLY  30  -4.686   6.669   2.585
  180   1HA   GLY  30          HA2       GLY  30  -3.344   4.746   3.976
  181   2HA   GLY  30          HA1       GLY  30  -3.559   3.961   2.413
  182    H    LEU  31           H        LEU  31  -1.039   4.638   3.531
  183    HA   LEU  31           HA       LEU  31   0.100   7.066   2.616
  184   1HB   LEU  31          HB2       LEU  31   1.026   4.514   3.634
  185   2HB   LEU  31          HB1       LEU  31   2.068   5.070   2.329
  186    HG   LEU  31           HG       LEU  31   2.768   5.881   4.593
  187   1HD1  LEU  31          1HD1      LEU  31   3.586   7.782   3.642
  188   2HD1  LEU  31          2HD1      LEU  31   1.980   8.371   3.209
  189   3HD1  LEU  31          3HD1      LEU  31   2.790   7.181   2.189
  190   1HD2  LEU  31          1HD2      LEU  31   0.951   6.398   5.892
  191   2HD2  LEU  31          2HD2      LEU  31  -0.024   6.901   4.513
  192   3HD2  LEU  31          3HD2      LEU  31   1.186   7.994   5.181
  193    H    CYS  32           H        CYS  32  -0.531   4.022   0.938
  194    HA   CYS  32           HA       CYS  32   0.600   5.245  -1.541
  195   1HB   CYS  32          HB2       CYS  32   0.022   2.311  -1.168
  196   2HB   CYS  32          HB1       CYS  32   1.130   3.079  -2.306
  197    H    CYS  33           H        CYS  33  -1.940   6.089  -0.866
  198    HA   CYS  33           HA       CYS  33  -3.572   4.683  -2.932
  199   1HB   CYS  33          HB2       CYS  33  -4.511   4.032  -0.785
  200   2HB   CYS  33          HB1       CYS  33  -4.544   5.707  -0.246
  201    H    GLU  34           H        GLU  34  -3.622   6.155  -4.564
  202    HA   GLU  34           HA       GLU  34  -4.065   9.019  -3.829
  203   1HB   GLU  34          HB2       GLU  34  -1.948   8.724  -4.971
  204   2HB   GLU  34          HB1       GLU  34  -2.719   7.786  -6.250
  205   1HG   GLU  34          HG2       GLU  34  -3.785   9.658  -7.162
  206   2HG   GLU  34          HG1       GLU  34  -3.664  10.578  -5.662
  207    H    GLN  35           H        GLN  35  -5.961   9.902  -4.472
  208    HA   GLN  35           HA       GLN  35  -8.024  10.153  -5.544
  209   1HB   GLN  35          HB2       GLN  35  -6.217   9.763  -7.544
  210   2HB   GLN  35          HB1       GLN  35  -7.319   8.415  -7.830
  211   1HG   GLN  35          HG2       GLN  35  -9.230   9.958  -7.863
  212   2HG   GLN  35          HG1       GLN  35  -8.155  11.315  -7.525
  213   1HE2  GLN  35          1HE2      GLN  35  -9.852  10.335 -10.022
  214   2HE2  GLN  35          2HE2      GLN  35  -8.761  10.552 -11.305
  215    H    CYS  36           H        CYS  36  -7.679   7.972  -3.695
  216    HA   CYS  36           HA       CYS  36  -8.942   6.132  -2.961
  217   1HB   CYS  36          HB2       CYS  36 -10.631   6.352  -5.438
  218   2HB   CYS  36          HB1       CYS  36 -11.109   5.861  -3.813
  219    H    LYS  37           H        LYS  37  -6.802   6.017  -5.276
  220    HA   LYS  37           HA       LYS  37  -7.432   3.179  -5.977
  221   1HB   LYS  37          HB2       LYS  37  -7.241   5.340  -7.777
  222   2HB   LYS  37          HB1       LYS  37  -5.742   4.427  -7.961
  223   1HG   LYS  37          HG2       LYS  37  -6.929   3.016  -9.269
  224   2HG   LYS  37          HG1       LYS  37  -7.677   2.445  -7.777
  225   1HD   LYS  37          HD2       LYS  37  -9.383   4.292  -8.030
  226   2HD   LYS  37          HD1       LYS  37  -8.707   4.609  -9.627
  227   1HE   LYS  37          HE2       LYS  37  -9.705   1.882  -8.774
  228   2HE   LYS  37          HE1       LYS  37 -10.721   3.061  -9.602
  229   1HZ   LYS  37          HZ1       LYS  37  -9.305   1.279 -10.907
  230   2HZ   LYS  37          HZ2       LYS  37  -8.107   2.476 -10.766
  231   3HZ   LYS  37          HZ3       LYS  37  -9.582   2.833 -11.532
  232    H    PHE  38           H        PHE  38  -5.558   1.819  -6.279
  233    HA   PHE  38           HA       PHE  38  -3.472   2.341  -4.370
  234   1HB   PHE  38          HB2       PHE  38  -3.787   0.287  -6.569
  235   2HB   PHE  38          HB1       PHE  38  -2.386   0.320  -5.499
  236    HD1  PHE  38           HD2      PHE  38  -3.634   1.158  -2.936
  237    HD2  PHE  38           HD1      PHE  38  -4.971  -1.647  -5.902
  238    HE1  PHE  38           HE2      PHE  38  -4.926  -0.059  -1.204
  239    HE2  PHE  38           HE1      PHE  38  -6.262  -2.865  -4.168
  240    HZ   PHE  38           HZ       PHE  38  -6.238  -2.070  -1.820
  241    H    SER  39           H        SER  39  -1.489   3.277  -4.673
  242    HA   SER  39           HA       SER  39  -0.993   4.794  -7.080
  243   1HB   SER  39          HB2       SER  39   1.245   4.127  -5.207
  244   2HB   SER  39          HB1       SER  39   0.834   5.667  -5.957
  245    HG   SER  39           HG       SER  39  -0.344   6.112  -4.280
  246    H    ARG  40           H        ARG  40   1.855   4.225  -7.372
  247    HA   ARG  40           HA       ARG  40   1.580   1.748  -8.984
  248   1HB   ARG  40          HB2       ARG  40   3.641   3.968  -8.929
  249   2HB   ARG  40          HB1       ARG  40   3.849   2.498  -9.883
  250   1HG   ARG  40          HG2       ARG  40   2.106   3.021 -11.326
  251   2HG   ARG  40          HG1       ARG  40   1.282   4.024 -10.131
  252   1HD   ARG  40          HD2       ARG  40   3.641   5.379 -10.427
  253   2HD   ARG  40          HD1       ARG  40   3.400   4.748 -12.056
  254    HE   ARG  40           HE       ARG  40   1.069   5.826 -11.886
  255   1HH1  ARG  40          1HH2      ARG  40   3.773   7.544 -11.913
  256   2HH1  ARG  40          2HH2      ARG  40   3.239   8.873 -10.941
  257   1HH2  ARG  40          1HH1      ARG  40   0.374   7.257  -9.839
  258   2HH2  ARG  40          2HH1      ARG  40   1.312   8.710  -9.766
  259    H    ALA  41           H        ALA  41   3.338   0.130  -8.887
  260    HA   ALA  41           HA       ALA  41   3.999  -0.552  -6.157
  261   1HB   ALA  41          HB1       ALA  41   4.868  -2.545  -7.027
  262   2HB   ALA  41          HB2       ALA  41   5.374  -1.781  -8.533
  263   3HB   ALA  41          HB3       ALA  41   3.665  -2.106  -8.239
  264    H    GLY  42           H        GLY  42   6.012  -0.450  -5.120
  265   1HA   GLY  42          HA2       GLY  42   8.296   0.139  -4.846
  266   2HA   GLY  42          HA1       GLY  42   8.351   0.604  -6.546
  267    H    LYS  43           H        LYS  43   5.994   1.734  -4.149
  268    HA   LYS  43           HA       LYS  43   6.888   4.514  -4.734
  269   1HB   LYS  43          HB2       LYS  43   4.556   4.394  -5.007
  270   2HB   LYS  43          HB1       LYS  43   4.356   3.312  -3.632
  271   1HG   LYS  43          HG2       LYS  43   3.556   5.508  -2.984
  272   2HG   LYS  43          HG1       LYS  43   5.056   5.197  -2.123
  273   1HD   LYS  43          HD2       LYS  43   5.832   7.141  -2.961
  274   2HD   LYS  43          HD1       LYS  43   5.867   6.356  -4.540
  275   1HE   LYS  43          HE2       LYS  43   3.722   8.109  -3.359
  276   2HE   LYS  43          HE1       LYS  43   4.529   8.253  -4.922
  277   1HZ   LYS  43          HZ1       LYS  43   3.463   5.909  -5.278
  278   2HZ   LYS  43          HZ2       LYS  43   2.559   7.324  -5.546
  279   3HZ   LYS  43          HZ3       LYS  43   2.368   6.450  -4.101
  280    H    ILE  44           H        ILE  44   8.134   5.560  -3.265
  281    HA   ILE  44           HA       ILE  44   8.944   4.331  -0.808
  282    HB   ILE  44           HB       ILE  44  10.310   6.008  -2.030
  283   1HG1  ILE  44          2HG1      ILE  44  11.086   7.211  -0.046
  284   2HG1  ILE  44          1HG1      ILE  44   9.562   6.879   0.779
  285   1HG2  ILE  44          1HG2      ILE  44   8.826   8.280  -0.867
  286   2HG2  ILE  44          2HG2      ILE  44   7.990   7.449  -2.179
  287   3HG2  ILE  44          3HG2      ILE  44   9.595   8.129  -2.446
  288   1HD1  ILE  44          1HD1      ILE  44  10.163   4.750   1.291
  289   2HD1  ILE  44          2HD1      ILE  44  11.806   5.307   0.968
  290   3HD1  ILE  44          3HD1      ILE  44  10.891   4.479  -0.293
  291    H    CYS  45           H        CYS  45   6.979   3.852   0.325
  292    HA   CYS  45           HA       CYS  45   5.124   5.979   1.102
  293   1HB   CYS  45          HB2       CYS  45   4.328   4.202   2.750
  294   2HB   CYS  45          HB1       CYS  45   4.174   3.787   1.049
  295    H    ARG  46           H        ARG  46   7.802   4.222   2.538
  296    HA   ARG  46           HA       ARG  46   7.848   6.251   4.744
  297   1HB   ARG  46          HB2       ARG  46   7.487   3.458   4.971
  298   2HB   ARG  46          HB1       ARG  46   9.140   3.781   5.498
  299   1HG   ARG  46          HG2       ARG  46   8.432   5.279   7.187
  300   2HG   ARG  46          HG1       ARG  46   6.826   5.451   6.477
  301   1HD   ARG  46          HD2       ARG  46   7.193   2.686   6.971
  302   2HD   ARG  46          HD1       ARG  46   7.730   3.532   8.423
  303    HE   ARG  46           HE       ARG  46   5.124   4.365   7.306
  304   1HH1  ARG  46          1HH2      ARG  46   4.918   1.559   8.343
  305   2HH1  ARG  46          2HH2      ARG  46   4.503   1.819  10.004
  306   1HH2  ARG  46          1HH1      ARG  46   5.469   5.150  10.000
  307   2HH2  ARG  46          2HH1      ARG  46   4.815   3.852  10.943
  308    H    ILE  47           H        ILE  47   9.577   7.541   4.277
  309    HA   ILE  47           HA       ILE  47  11.983   6.348   3.024
  310    HB   ILE  47           HB       ILE  47  11.117   8.497   2.143
  311   1HG1  ILE  47          2HG1      ILE  47  13.293   9.801   2.434
  312   2HG1  ILE  47          1HG1      ILE  47  13.803   8.526   3.542
  313   1HG2  ILE  47          1HG2      ILE  47  10.630  10.281   3.468
  314   2HG2  ILE  47          2HG2      ILE  47  12.055  10.037   4.478
  315   3HG2  ILE  47          3HG2      ILE  47  10.595   9.090   4.769
  316   1HD1  ILE  47          1HD1      ILE  47  14.549   7.430   1.713
  317   2HD1  ILE  47          2HD1      ILE  47  13.675   8.503   0.620
  318   3HD1  ILE  47          3HD1      ILE  47  12.852   7.121   1.344
  319    H    ALA  48           H        ALA  48  12.614   5.112   4.936
  320    HA   ALA  48           HA       ALA  48  13.080   6.281   7.496
  321   1HB   ALA  48          HB1       ALA  48  14.892   4.110   6.551
  322   2HB   ALA  48          HB2       ALA  48  13.164   3.757   6.590
  323   3HB   ALA  48          HB3       ALA  48  13.997   4.247   8.064
  324    H    ARG  49           H        ARG  49  14.811   7.425   8.304
  325    HA   ARG  49           HA       ARG  49  17.230   7.715   6.593
  326   1HB   ARG  49          HB2       ARG  49  17.223  10.162   6.986
  327   2HB   ARG  49          HB1       ARG  49  15.793   9.648   6.090
  328   1HG   ARG  49          HG2       ARG  49  15.344   9.503   8.959
  329   2HG   ARG  49          HG1       ARG  49  15.819  11.129   8.467
  330   1HD   ARG  49          HD2       ARG  49  13.907   9.918   6.616
  331   2HD   ARG  49          HD1       ARG  49  13.266  10.056   8.252
  332    HE   ARG  49           HE       ARG  49  13.080  12.357   7.838
  333   1HH1  ARG  49          1HH2      ARG  49  14.679  11.066   5.202
  334   2HH1  ARG  49          2HH2      ARG  49  15.554  12.506   4.796
  335   1HH2  ARG  49          1HH1      ARG  49  14.631  14.196   7.679
  336   2HH2  ARG  49          2HH1      ARG  49  15.529  14.276   6.199
  337    H    GLY  50           H        GLY  50  17.891   6.180   8.406
  338   1HA   GLY  50          HA2       GLY  50  19.441   7.596  10.361
  339   2HA   GLY  50          HA1       GLY  50  18.006   6.913  11.127
  340    H    ASP  51           H        ASP  51  18.104   4.787  11.734
  341    HA   ASP  51           HA       ASP  51  20.435   3.201  10.736
  342   1HB   ASP  51          HB2       ASP  51  19.798   3.806  13.333
  343   2HB   ASP  51          HB1       ASP  51  19.019   2.236  13.138
  344    H    MET  52           H        MET  52  18.065   3.338   9.190
  345    HA   MET  52           HA       MET  52  17.352   0.485   9.165
  346   1HB   MET  52          HB2       MET  52  15.535   2.584  10.148
  347   2HB   MET  52          HB1       MET  52  14.841   1.575   8.880
  348   1HG   MET  52          HG2       MET  52  16.160  -0.240  10.535
  349   2HG   MET  52          HG1       MET  52  15.424   0.903  11.657
  350   1HE   MET  52          HE1       MET  52  13.249   1.006  12.340
  351   2HE   MET  52          HE2       MET  52  13.626  -0.671  12.729
  352   3HE   MET  52          HE3       MET  52  12.054  -0.266  12.046
  353    HA   PRO  53           HA       PRO  53  17.139   1.301   4.863
  354   1HB   PRO  53          HB2       PRO  53  15.412  -0.688   4.077
  355   2HB   PRO  53          HB1       PRO  53  17.094  -0.983   4.550
  356   1HG   PRO  53          HG2       PRO  53  14.591  -1.543   6.073
  357   2HG   PRO  53          HG1       PRO  53  16.167  -2.345   6.172
  358   1HD   PRO  53          HD2       PRO  53  15.169  -0.426   7.996
  359   2HD   PRO  53          HD1       PRO  53  16.853  -0.981   7.883
  360    H    ASP  54           H        ASP  54  15.324   1.435   3.016
  361    HA   ASP  54           HA       ASP  54  13.238   3.255   4.085
  362   1HB   ASP  54          HB2       ASP  54  13.483   2.791   1.157
  363   2HB   ASP  54          HB1       ASP  54  13.255   4.299   2.040
  364    H    ASP  55           H        ASP  55  11.094   3.075   2.658
  365    HA   ASP  55           HA       ASP  55  10.394   0.185   2.362
  366   1HB   ASP  55          HB2       ASP  55   9.590   1.441   4.541
  367   2HB   ASP  55          HB1       ASP  55   8.387   2.133   3.453
  368    H    ARG  56           H        ARG  56   9.144  -0.246   0.551
  369    HA   ARG  56           HA       ARG  56   8.168   2.131  -0.977
  370   1HB   ARG  56          HB2       ARG  56   9.409  -0.408  -2.074
  371   2HB   ARG  56          HB1       ARG  56   8.726   0.892  -3.052
  372   1HG   ARG  56          HG2       ARG  56  10.682   1.795  -1.040
  373   2HG   ARG  56          HG1       ARG  56  11.357   0.746  -2.288
  374   1HD   ARG  56          HD2       ARG  56  10.587   2.195  -4.042
  375   2HD   ARG  56          HD1       ARG  56   9.615   3.140  -2.914
  376    HE   ARG  56           HE       ARG  56  11.734   3.996  -1.948
  377   1HH1  ARG  56          1HH2      ARG  56  11.667   4.759  -4.882
  378   2HH1  ARG  56          2HH2      ARG  56  13.266   4.326  -5.385
  379   1HH2  ARG  56          1HH1      ARG  56  13.896   2.356  -2.603
  380   2HH2  ARG  56          2HH1      ARG  56  14.527   2.965  -4.097
  381    H    CYS  57           H        CYS  57   6.080   1.994  -1.729
  382    HA   CYS  57           HA       CYS  57   4.292   0.023  -0.691
  383   1HB   CYS  57          HB2       CYS  57   3.797   1.617  -3.211
  384   2HB   CYS  57          HB1       CYS  57   2.608   1.020  -2.058
  385    H    THR  58           H        THR  58   3.149  -1.653  -1.829
  386    HA   THR  58           HA       THR  58   4.841  -3.126  -3.704
  387    HB   THR  58           HB       THR  58   3.205  -4.897  -3.479
  388    HG1  THR  58           HG1      THR  58   1.567  -3.332  -1.860
  389   1HG2  THR  58          1HG2      THR  58   3.039  -3.874  -0.715
  390   2HG2  THR  58          2HG2      THR  58   4.662  -3.882  -1.404
  391   3HG2  THR  58          3HG2      THR  58   3.733  -5.378  -1.320
  392    H    GLY  59           H        GLY  59   2.345  -0.814  -3.949
  393   1HA   GLY  59          HA2       GLY  59   1.880   0.147  -6.168
  394   2HA   GLY  59          HA1       GLY  59   2.057  -1.469  -6.850
  395    H    GLN  60           H        GLN  60   0.513  -2.624  -4.549
  396    HA   GLN  60           HA       GLN  60  -2.202  -1.711  -5.412
  397   1HB   GLN  60          HB2       GLN  60  -2.972  -4.008  -5.078
  398   2HB   GLN  60          HB1       GLN  60  -1.604  -4.007  -6.191
  399   1HG   GLN  60          HG2       GLN  60  -0.113  -4.455  -4.186
  400   2HG   GLN  60          HG1       GLN  60  -1.585  -4.726  -3.252
  401   1HE2  GLN  60          1HE2      GLN  60   0.295  -6.844  -3.675
  402   2HE2  GLN  60          2HE2      GLN  60  -0.427  -8.009  -4.677
  403    H    SER  61           H        SER  61  -0.029  -2.012  -2.820
  404    HA   SER  61           HA       SER  61  -2.025  -2.424  -0.728
  405   1HB   SER  61          HB2       SER  61   0.892  -1.692  -0.768
  406   2HB   SER  61          HB1       SER  61  -0.036  -1.535   0.720
  407    HG   SER  61           HG       SER  61  -0.480  -3.702   0.655
  408    H    ALA  62           H        ALA  62  -2.996  -0.839   0.552
  409    HA   ALA  62           HA       ALA  62  -2.983   1.891  -0.575
  410   1HB   ALA  62          HB1       ALA  62  -4.796   0.264   1.050
  411   2HB   ALA  62          HB2       ALA  62  -5.157   1.646   0.014
  412   3HB   ALA  62          HB3       ALA  62  -4.622   1.904   1.676
  413    H    ASP  63           H        ASP  63  -2.312   0.291   2.543
  414    HA   ASP  63           HA       ASP  63  -1.103   2.806   3.553
  415   1HB   ASP  63          HB2       ASP  63  -1.530   0.142   4.942
  416   2HB   ASP  63          HB1       ASP  63  -0.989   1.634   5.710
  417    H    CYS  64           H        CYS  64   0.968   2.028   5.070
  418    HA   CYS  64           HA       CYS  64   2.723   0.497   3.197
  419   1HB   CYS  64          HB2       CYS  64   3.281   2.842   3.077
  420   2HB   CYS  64          HB1       CYS  64   3.408   2.957   4.826
  421    HA   PRO  65           HA       PRO  65   2.998  -1.799   7.022
  422   1HB   PRO  65          HB2       PRO  65   3.344  -4.167   5.694
  423   2HB   PRO  65          HB1       PRO  65   1.756  -3.476   6.033
  424   1HG   PRO  65          HG2       PRO  65   3.211  -3.694   3.461
  425   2HG   PRO  65          HG1       PRO  65   1.480  -3.454   3.750
  426   1HD   PRO  65          HD2       PRO  65   3.400  -1.469   3.005
  427   2HD   PRO  65          HD1       PRO  65   1.696  -1.201   3.421
  428    H    ARG  66           H        ARG  66   4.719  -4.042   6.950
  429    HA   ARG  66           HA       ARG  66   7.352  -2.714   6.492
  430   1HB   ARG  66          HB2       ARG  66   8.232  -4.364   8.120
  431   2HB   ARG  66          HB1       ARG  66   6.922  -3.412   8.818
  432   1HG   ARG  66          HG2       ARG  66   6.042  -5.857   7.422
  433   2HG   ARG  66          HG1       ARG  66   7.025  -6.149   8.857
  434   1HD   ARG  66          HD2       ARG  66   5.242  -4.086   9.568
  435   2HD   ARG  66          HD1       ARG  66   4.274  -5.271   8.689
  436    HE   ARG  66           HE       ARG  66   5.637  -5.720  11.263
  437   1HH1  ARG  66          1HH2      ARG  66   2.772  -6.446  10.276
  438   2HH1  ARG  66          2HH2      ARG  66   2.893  -8.173  10.251
  439   1HH2  ARG  66          1HH1      ARG  66   6.354  -8.198  10.465
  440   2HH2  ARG  66          2HH1      ARG  66   4.921  -9.164  10.355
  441    H    TYR  67           H        TYR  67   9.015  -4.891   6.372
  442    HA   TYR  67           HA       TYR  67   8.404  -5.941   3.708
  443   1HB   TYR  67          HB2       TYR  67  10.700  -7.001   5.296
  444   2HB   TYR  67          HB1       TYR  67  10.632  -6.528   3.599
  445    HD1  TYR  67           HD1      TYR  67   9.776  -3.859   3.453
  446    HD2  TYR  67           HD2      TYR  67  12.163  -5.673   6.529
  447    HE1  TYR  67           HE1      TYR  67  10.713  -1.639   4.035
  448    HE2  TYR  67           HE2      TYR  67  13.101  -3.452   7.110
  449    HH   TYR  67           HH       TYR  67  12.810  -1.205   6.836
  450    H    HIS  68           H        HIS  68   9.014  -7.390   6.925
  451    HA   HIS  68           HA       HIS  68   7.385  -9.728   6.020
  452   1HB   HIS  68          HB2       HIS  68  10.100  -9.623   7.111
  453   2HB   HIS  68          HB1       HIS  68   9.044 -10.707   8.016
  454    HD1  HIS  68           HD1      HIS  68   7.530 -12.336   6.313
  455    HD2  HIS  68           HD2      HIS  68  11.148 -10.850   4.872
  456    HE1  HIS  68           HE1      HIS  68   8.178 -13.805   4.355
  Start of MODEL    3
    1   1H    GLY   1          HT1       GLY   1  -5.936  -2.996   4.368
    2   2H    GLY   1          HT2       GLY   1  -6.618  -4.067   3.239
    3   3H    GLY   1          HT3       GLY   1  -6.431  -4.542   4.860
    4   1HA   GLY   1          HA1       GLY   1  -7.918  -2.431   5.282
    5   2HA   GLY   1          HA2       GLY   1  -8.443  -2.808   3.641
    6    H    LYS   2           H        LYS   2  -8.229  -4.066   6.935
    7    HA   LYS   2           HA       LYS   2  -9.424  -6.611   6.449
    8   1HB   LYS   2          HB2       LYS   2  -9.279  -4.823   8.874
    9   2HB   LYS   2          HB1       LYS   2 -10.145  -6.359   8.920
   10   1HG   LYS   2          HG2       LYS   2  -7.289  -6.151   7.947
   11   2HG   LYS   2          HG1       LYS   2  -7.688  -6.426   9.644
   12   1HD   LYS   2          HD2       LYS   2  -9.236  -8.325   8.623
   13   2HD   LYS   2          HD1       LYS   2  -8.085  -8.229   7.290
   14   1HE   LYS   2          HE2       LYS   2  -6.515  -8.191   9.620
   15   2HE   LYS   2          HE1       LYS   2  -7.744  -9.420   9.911
   16   1HZ   LYS   2          HZ1       LYS   2  -6.302 -10.680   8.749
   17   2HZ   LYS   2          HZ2       LYS   2  -5.607  -9.358   7.939
   18   3HZ   LYS   2          HZ3       LYS   2  -7.091  -9.996   7.414
   19    H    GLU   3           H        GLU   3 -11.404  -4.838   8.631
   20    HA   GLU   3           HA       GLU   3 -13.677  -5.164   6.761
   21   1HB   GLU   3          HB2       GLU   3 -13.741  -5.981   9.181
   22   2HB   GLU   3          HB1       GLU   3 -13.791  -4.282   9.654
   23   1HG   GLU   3          HG2       GLU   3 -15.841  -3.938   8.394
   24   2HG   GLU   3          HG1       GLU   3 -15.765  -5.580   7.753
   25    H    CYS   4           H        CYS   4 -11.464  -2.854   7.190
   26    HA   CYS   4           HA       CYS   4 -13.434  -0.682   6.632
   27   1HB   CYS   4          HB2       CYS   4 -11.237  -0.736   8.658
   28   2HB   CYS   4          HB1       CYS   4 -11.607   0.786   7.872
   29    H    ASP   5           H        ASP   5 -12.959  -0.443   4.453
   30    HA   ASP   5           HA       ASP   5 -10.329  -0.702   3.320
   31   1HB   ASP   5          HB2       ASP   5 -12.661  -0.719   2.128
   32   2HB   ASP   5          HB1       ASP   5 -12.451   1.032   2.075
   33    H    CYS   6           H        CYS   6 -12.172   2.032   4.589
   34    HA   CYS   6           HA       CYS   6  -9.756   3.747   4.180
   35   1HB   CYS   6          HB2       CYS   6 -11.188   5.643   4.049
   36   2HB   CYS   6          HB1       CYS   6 -12.000   4.406   3.099
   37    H    SER   7           H        SER   7  -9.878   5.625   6.018
   38    HA   SER   7           HA       SER   7 -10.228   4.175   8.611
   39   1HB   SER   7          HB2       SER   7  -7.873   5.119   7.591
   40   2HB   SER   7          HB1       SER   7  -8.401   6.497   8.552
   41    HG   SER   7           HG       SER   7  -7.783   5.395  10.222
   42    H    SER   8           H        SER   8 -11.968   6.162   6.939
   43    HA   SER   8           HA       SER   8 -12.673   7.828   9.298
   44   1HB   SER   8          HB2       SER   8 -13.107   9.352   6.898
   45   2HB   SER   8          HB1       SER   8 -12.115   9.760   8.294
   46    HG   SER   8           HG       SER   8 -10.561   9.522   6.879
   47    HA   PRO   9           HA       PRO   9 -16.649   6.327   8.014
   48   1HB   PRO   9          HB2       PRO   9 -18.087   7.626   9.961
   49   2HB   PRO   9          HB1       PRO   9 -17.148   6.153  10.258
   50   1HG   PRO   9          HG2       PRO   9 -16.529   8.961  11.040
   51   2HG   PRO   9          HG1       PRO   9 -15.996   7.444  11.786
   52   1HD   PRO   9          HD2       PRO   9 -14.459   9.091  10.058
   53   2HD   PRO   9          HD1       PRO   9 -14.050   7.444  10.580
   54    H    GLU  10           H        GLU  10 -15.468   9.410   7.614
   55    HA   GLU  10           HA       GLU  10 -18.062  10.396   6.493
   56   1HB   GLU  10          HB2       GLU  10 -16.890  11.677   8.432
   57   2HB   GLU  10          HB1       GLU  10 -15.741  12.185   7.193
   58   1HG   GLU  10          HG2       GLU  10 -17.710  12.975   5.818
   59   2HG   GLU  10          HG1       GLU  10 -18.731  12.662   7.222
   60    H    ASN  11           H        ASN  11 -15.621   8.782   5.389
   61    HA   ASN  11           HA       ASN  11 -14.703  10.598   3.254
   62   1HB   ASN  11          HB2       ASN  11 -13.363   8.685   4.513
   63   2HB   ASN  11          HB1       ASN  11 -14.099   7.663   3.280
   64   1HD2  ASN  11          1HD2      ASN  11 -11.331   9.394   3.862
   65   2HD2  ASN  11          2HD2      ASN  11 -10.888   9.770   2.268
   66    HA   PRO  12           HA       PRO  12 -18.002   9.191   0.626
   67   1HB   PRO  12          HB2       PRO  12 -17.152  10.516  -1.632
   68   2HB   PRO  12          HB1       PRO  12 -18.013  11.304  -0.298
   69   1HG   PRO  12          HG2       PRO  12 -15.115  11.435  -1.002
   70   2HG   PRO  12          HG1       PRO  12 -16.122  12.626  -0.161
   71   1HD   PRO  12          HD2       PRO  12 -14.297  10.860   1.068
   72   2HD   PRO  12          HD1       PRO  12 -15.567  11.781   1.900
   73    H    CYS  13           H        CYS  13 -14.691   8.457   0.360
   74    HA   CYS  13           HA       CYS  13 -15.012   6.803  -2.069
   75   1HB   CYS  13          HB2       CYS  13 -12.904   8.249  -1.237
   76   2HB   CYS  13          HB1       CYS  13 -12.503   6.716  -0.455
   77    H    CYS  14           H        CYS  14 -15.776   6.431   1.114
   78    HA   CYS  14           HA       CYS  14 -15.615   3.497   0.845
   79   1HB   CYS  14          HB2       CYS  14 -14.492   3.124   2.921
   80   2HB   CYS  14          HB1       CYS  14 -13.524   4.304   2.038
   81    H    ASP  15           H        ASP  15 -17.479   2.623   1.466
   82    HA   ASP  15           HA       ASP  15 -19.665   4.126   2.496
   83   1HB   ASP  15          HB2       ASP  15 -19.459   1.704   1.353
   84   2HB   ASP  15          HB1       ASP  15 -19.509   1.195   3.038
   85    H    ALA  16           H        ALA  16 -20.067   4.772   4.573
   86    HA   ALA  16           HA       ALA  16 -18.206   4.148   6.697
   87   1HB   ALA  16          HB1       ALA  16 -20.838   5.616   6.567
   88   2HB   ALA  16          HB2       ALA  16 -19.230   6.270   6.877
   89   3HB   ALA  16          HB3       ALA  16 -20.044   5.310   8.112
   90    H    ALA  17           H        ALA  17 -21.527   3.119   5.936
   91    HA   ALA  17           HA       ALA  17 -22.078   1.612   8.244
   92   1HB   ALA  17          HB1       ALA  17 -22.963   0.198   5.874
   93   2HB   ALA  17          HB2       ALA  17 -23.229   1.933   5.695
   94   3HB   ALA  17          HB3       ALA  17 -23.924   1.072   7.068
   95    H    THR  18           H        THR  18 -20.482   0.486   5.240
   96    HA   THR  18           HA       THR  18 -19.682  -1.998   6.641
   97    HB   THR  18           HB       THR  18 -18.815  -2.676   4.409
   98    HG1  THR  18           HG1      THR  18 -18.869  -1.303   2.758
   99   1HG2  THR  18          1HG2      THR  18 -21.249  -2.152   3.276
  100   2HG2  THR  18          2HG2      THR  18 -21.605  -1.917   4.987
  101   3HG2  THR  18          3HG2      THR  18 -20.949  -3.454   4.427
  102    H    CYS  19           H        CYS  19 -18.408   1.100   5.866
  103    HA   CYS  19           HA       CYS  19 -16.300   2.018   6.443
  104   1HB   CYS  19          HB2       CYS  19 -16.522   0.054   8.251
  105   2HB   CYS  19          HB1       CYS  19 -15.250  -0.640   7.276
  106    H    LYS  20           H        LYS  20 -16.975   0.120   3.979
  107    HA   LYS  20           HA       LYS  20 -14.120  -0.194   3.172
  108   1HB   LYS  20          HB2       LYS  20 -16.519  -1.874   2.731
  109   2HB   LYS  20          HB1       LYS  20 -15.342  -1.790   1.416
  110   1HG   LYS  20          HG2       LYS  20 -14.082  -2.109   4.032
  111   2HG   LYS  20          HG1       LYS  20 -15.174  -3.439   3.644
  112   1HD   LYS  20          HD2       LYS  20 -13.925  -3.200   1.267
  113   2HD   LYS  20          HD1       LYS  20 -12.635  -2.627   2.325
  114   1HE   LYS  20          HE2       LYS  20 -13.279  -4.753   3.752
  115   2HE   LYS  20          HE1       LYS  20 -13.938  -5.326   2.220
  116   1HZ   LYS  20          HZ1       LYS  20 -11.483  -4.261   1.605
  117   2HZ   LYS  20          HZ2       LYS  20 -11.881  -5.911   1.691
  118   3HZ   LYS  20          HZ3       LYS  20 -11.225  -5.119   3.044
  119    H    LEU  21           H        LEU  21 -14.149  -0.359   0.545
  120    HA   LEU  21           HA       LEU  21 -14.627   2.321  -0.307
  121   1HB   LEU  21          HB2       LEU  21 -13.944  -0.220  -1.742
  122   2HB   LEU  21          HB1       LEU  21 -14.312   1.250  -2.646
  123    HG   LEU  21           HG       LEU  21 -12.445   1.578  -0.372
  124   1HD1  LEU  21          1HD1      LEU  21 -11.863  -0.636  -1.615
  125   2HD1  LEU  21          2HD1      LEU  21 -10.579   0.546  -1.369
  126   3HD1  LEU  21          3HD1      LEU  21 -11.372   0.419  -2.938
  127   1HD2  LEU  21          1HD2      LEU  21 -12.316   3.515  -1.506
  128   2HD2  LEU  21          2HD2      LEU  21 -13.168   2.829  -2.890
  129   3HD2  LEU  21          3HD2      LEU  21 -11.419   2.639  -2.747
  130    H    ARG  22           H        ARG  22 -16.263   3.220  -1.460
  131    HA   ARG  22           HA       ARG  22 -18.778   1.662  -1.604
  132   1HB   ARG  22          HB2       ARG  22 -18.179   4.320  -0.868
  133   2HB   ARG  22          HB1       ARG  22 -19.067   4.425  -2.388
  134   1HG   ARG  22          HG2       ARG  22 -20.024   2.626  -0.170
  135   2HG   ARG  22          HG1       ARG  22 -20.436   4.341  -0.183
  136   1HD   ARG  22          HD2       ARG  22 -21.703   4.160  -2.131
  137   2HD   ARG  22          HD1       ARG  22 -20.855   2.710  -2.667
  138    HE   ARG  22           HE       ARG  22 -22.500   2.450  -0.224
  139   1HH1  ARG  22          1HH2      ARG  22 -21.416   0.924  -2.971
  140   2HH1  ARG  22          2HH2      ARG  22 -22.925   0.181  -3.385
  141   1HH2  ARG  22          1HH1      ARG  22 -24.747   1.952  -1.028
  142   2HH2  ARG  22          2HH1      ARG  22 -24.811   0.763  -2.284
  143    HA   PRO  23           HA       PRO  23 -18.398   3.248  -6.056
  144   1HB   PRO  23          HB2       PRO  23 -16.227   4.772  -6.748
  145   2HB   PRO  23          HB1       PRO  23 -17.732   5.451  -6.106
  146   1HG   PRO  23          HG2       PRO  23 -15.100   5.139  -4.762
  147   2HG   PRO  23          HG1       PRO  23 -16.419   6.264  -4.398
  148   1HD   PRO  23          HD2       PRO  23 -15.796   3.853  -3.013
  149   2HD   PRO  23          HD1       PRO  23 -17.228   4.877  -2.769
  150    H    GLY  24           H        GLY  24 -16.399   3.217  -7.952
  151   1HA   GLY  24          HA2       GLY  24 -15.352   0.495  -7.672
  152   2HA   GLY  24          HA1       GLY  24 -15.198   1.525  -9.096
  153    H    ALA  25           H        ALA  25 -14.330   3.227  -6.324
  154    HA   ALA  25           HA       ALA  25 -11.563   3.421  -7.108
  155   1HB   ALA  25          HB1       ALA  25 -13.175   4.335  -4.730
  156   2HB   ALA  25          HB2       ALA  25 -12.358   5.306  -5.953
  157   3HB   ALA  25          HB3       ALA  25 -11.417   4.472  -4.713
  158    H    GLN  26           H        GLN  26  -9.936   2.182  -6.626
  159    HA   GLN  26           HA       GLN  26 -10.272  -0.273  -5.193
  160   1HB   GLN  26          HB2       GLN  26  -8.516  -0.747  -6.502
  161   2HB   GLN  26          HB1       GLN  26  -8.441   0.940  -6.988
  162   1HG   GLN  26          HG2       GLN  26  -7.053  -0.242  -4.570
  163   2HG   GLN  26          HG1       GLN  26  -6.318   0.143  -6.119
  164   1HE2  GLN  26          1HE2      GLN  26  -8.352   2.572  -6.067
  165   2HE2  GLN  26          2HE2      GLN  26  -7.502   3.715  -5.171
  166    H    CYS  27           H        CYS  27  -9.462   2.918  -4.189
  167    HA   CYS  27           HA       CYS  27  -9.183   1.983  -1.411
  168   1HB   CYS  27          HB2       CYS  27  -7.097   3.046  -0.952
  169   2HB   CYS  27          HB1       CYS  27  -6.836   2.038  -2.367
  170    H    GLY  28           H        GLY  28  -9.548   3.696   0.108
  171   1HA   GLY  28          HA2       GLY  28 -10.740   6.122  -1.159
  172   2HA   GLY  28          HA1       GLY  28 -11.366   5.402   0.322
  173    H    GLU  29           H        GLU  29  -8.752   4.835   1.426
  174    HA   GLU  29           HA       GLU  29  -7.456   7.478   1.675
  175   1HB   GLU  29          HB2       GLU  29  -9.360   7.385   3.335
  176   2HB   GLU  29          HB1       GLU  29  -8.531   6.038   4.108
  177   1HG   GLU  29          HG2       GLU  29  -7.054   8.598   3.583
  178   2HG   GLU  29          HG1       GLU  29  -8.115   8.470   4.987
  179    H    GLY  30           H        GLY  30  -5.287   7.283   2.436
  180   1HA   GLY  30          HA2       GLY  30  -4.037   5.246   3.798
  181   2HA   GLY  30          HA1       GLY  30  -4.150   4.601   2.159
  182    H    LEU  31           H        LEU  31  -1.658   5.160   3.396
  183    HA   LEU  31           HA       LEU  31  -0.605   7.736   2.732
  184   1HB   LEU  31          HB2       LEU  31   0.490   5.101   3.494
  185   2HB   LEU  31          HB1       LEU  31   1.563   6.077   2.493
  186    HG   LEU  31           HG       LEU  31   0.176   7.155   4.955
  187   1HD1  LEU  31          1HD1      LEU  31   2.421   5.345   4.745
  188   2HD1  LEU  31          2HD1      LEU  31   1.647   5.987   6.194
  189   3HD1  LEU  31          3HD1      LEU  31   2.945   6.890   5.415
  190   1HD2  LEU  31          1HD2      LEU  31   0.895   9.065   3.943
  191   2HD2  LEU  31          2HD2      LEU  31   1.995   8.193   2.876
  192   3HD2  LEU  31          3HD2      LEU  31   2.485   8.576   4.525
  193    H    CYS  32           H        CYS  32  -1.337   4.941   0.810
  194    HA   CYS  32           HA       CYS  32   0.036   6.238  -1.504
  195   1HB   CYS  32          HB2       CYS  32  -0.063   3.466  -0.583
  196   2HB   CYS  32          HB1       CYS  32  -0.522   3.634  -2.278
  197    H    CYS  33           H        CYS  33  -2.908   6.079  -0.180
  198    HA   CYS  33           HA       CYS  33  -4.444   5.306  -2.560
  199   1HB   CYS  33          HB2       CYS  33  -5.320   4.963  -0.229
  200   2HB   CYS  33          HB1       CYS  33  -5.436   6.709  -0.060
  201    H    GLU  34           H        GLU  34  -3.812   6.741  -4.193
  202    HA   GLU  34           HA       GLU  34  -4.234   9.647  -3.665
  203   1HB   GLU  34          HB2       GLU  34  -2.923   9.875  -5.856
  204   2HB   GLU  34          HB1       GLU  34  -2.019   9.262  -4.472
  205   1HG   GLU  34          HG2       GLU  34  -1.674   7.259  -5.463
  206   2HG   GLU  34          HG1       GLU  34  -3.359   7.135  -5.970
  207    H    GLN  35           H        GLN  35  -6.054  10.527  -4.503
  208    HA   GLN  35           HA       GLN  35  -7.940  10.826  -5.857
  209   1HB   GLN  35          HB2       GLN  35  -5.778  10.021  -7.610
  210   2HB   GLN  35          HB1       GLN  35  -7.321   9.412  -8.210
  211   1HG   GLN  35          HG2       GLN  35  -8.250  11.563  -8.386
  212   2HG   GLN  35          HG1       GLN  35  -7.073  12.263  -7.273
  213   1HE2  GLN  35          1HE2      GLN  35  -7.438  13.482  -9.784
  214   2HE2  GLN  35          2HE2      GLN  35  -6.068  13.212 -10.749
  215    H    CYS  36           H        CYS  36  -7.658   8.446  -4.134
  216    HA   CYS  36           HA       CYS  36  -8.867   6.501  -3.675
  217   1HB   CYS  36          HB2       CYS  36 -10.548   7.744  -5.847
  218   2HB   CYS  36          HB1       CYS  36 -10.942   6.180  -5.171
  219    H    LYS  37           H        LYS  37  -6.685   6.635  -5.768
  220    HA   LYS  37           HA       LYS  37  -7.321   4.050  -7.131
  221   1HB   LYS  37          HB2       LYS  37  -6.339   6.579  -8.221
  222   2HB   LYS  37          HB1       LYS  37  -5.251   5.237  -8.577
  223   1HG   LYS  37          HG2       LYS  37  -7.726   4.119  -9.044
  224   2HG   LYS  37          HG1       LYS  37  -7.950   5.776  -9.606
  225   1HD   LYS  37          HD2       LYS  37  -6.221   5.603 -11.196
  226   2HD   LYS  37          HD1       LYS  37  -5.511   4.196 -10.403
  227   1HE   LYS  37          HE2       LYS  37  -7.144   2.739 -11.226
  228   2HE   LYS  37          HE1       LYS  37  -8.309   4.036 -11.489
  229   1HZ   LYS  37          HZ1       LYS  37  -7.183   4.764 -13.377
  230   2HZ   LYS  37          HZ2       LYS  37  -7.154   3.071 -13.516
  231   3HZ   LYS  37          HZ3       LYS  37  -5.770   3.907 -12.994
  232    H    PHE  38           H        PHE  38  -5.446   2.576  -7.262
  233    HA   PHE  38           HA       PHE  38  -3.828   2.686  -4.887
  234   1HB   PHE  38          HB2       PHE  38  -4.028   0.890  -7.235
  235   2HB   PHE  38          HB1       PHE  38  -2.445   0.946  -6.473
  236    HD1  PHE  38           HD2      PHE  38  -3.550   1.556  -3.606
  237    HD2  PHE  38           HD1      PHE  38  -4.541  -1.384  -6.583
  238    HE1  PHE  38           HE2      PHE  38  -4.377   0.042  -1.837
  239    HE2  PHE  38           HE1      PHE  38  -5.359  -2.901  -4.803
  240    HZ   PHE  38           HZ       PHE  38  -5.279  -2.188  -2.430
  241    H    SER  39           H        SER  39  -1.801   3.534  -4.592
  242    HA   SER  39           HA       SER  39  -0.756   5.358  -6.580
  243   1HB   SER  39          HB2       SER  39   0.258   4.283  -3.951
  244   2HB   SER  39          HB1       SER  39   1.344   5.181  -5.006
  245    HG   SER  39           HG       SER  39   0.442   6.827  -4.031
  246    H    ARG  40           H        ARG  40   1.550   5.017  -7.484
  247    HA   ARG  40           HA       ARG  40   1.602   2.591  -8.971
  248   1HB   ARG  40          HB2       ARG  40   3.634   4.751  -8.435
  249   2HB   ARG  40          HB1       ARG  40   4.094   3.303  -9.334
  250   1HG   ARG  40          HG2       ARG  40   1.551   4.429 -10.245
  251   2HG   ARG  40          HG1       ARG  40   2.894   5.561 -10.416
  252   1HD   ARG  40          HD2       ARG  40   4.041   4.193 -11.898
  253   2HD   ARG  40          HD1       ARG  40   3.300   2.720 -11.272
  254    HE   ARG  40           HE       ARG  40   2.137   4.514 -13.299
  255   1HH1  ARG  40          1HH2      ARG  40   2.320   1.437 -13.261
  256   2HH1  ARG  40          2HH2      ARG  40   0.653   1.024 -13.038
  257   1HH2  ARG  40          1HH1      ARG  40  -0.279   4.214 -12.047
  258   2HH2  ARG  40          2HH1      ARG  40  -0.819   2.596 -12.347
  259    H    ALA  41           H        ALA  41   3.149   0.823  -8.829
  260    HA   ALA  41           HA       ALA  41   3.455  -0.178  -6.138
  261   1HB   ALA  41          HB1       ALA  41   4.420  -2.124  -7.159
  262   2HB   ALA  41          HB2       ALA  41   4.834  -1.228  -8.621
  263   3HB   ALA  41          HB3       ALA  41   3.146  -1.574  -8.246
  264    H    GLY  42           H        GLY  42   5.395  -0.444  -4.945
  265   1HA   GLY  42          HA2       GLY  42   7.599   0.051  -4.277
  266   2HA   GLY  42          HA1       GLY  42   7.969   0.400  -5.967
  267    H    LYS  43           H        LYS  43   5.411   1.927  -4.053
  268    HA   LYS  43           HA       LYS  43   6.598   4.564  -4.689
  269   1HB   LYS  43          HB2       LYS  43   4.289   4.671  -5.034
  270   2HB   LYS  43          HB1       LYS  43   3.935   3.622  -3.667
  271   1HG   LYS  43          HG2       LYS  43   3.282   5.894  -3.089
  272   2HG   LYS  43          HG1       LYS  43   4.683   5.451  -2.126
  273   1HD   LYS  43          HD2       LYS  43   4.796   7.754  -3.185
  274   2HD   LYS  43          HD1       LYS  43   6.161   6.699  -3.550
  275   1HE   LYS  43          HE2       LYS  43   5.602   6.518  -5.755
  276   2HE   LYS  43          HE1       LYS  43   3.871   6.495  -5.416
  277   1HZ   LYS  43          HZ1       LYS  43   4.619   8.516  -6.584
  278   2HZ   LYS  43          HZ2       LYS  43   5.581   8.915  -5.241
  279   3HZ   LYS  43          HZ3       LYS  43   3.890   8.849  -5.089
  280    H    ILE  44           H        ILE  44   7.729   5.742  -3.214
  281    HA   ILE  44           HA       ILE  44   8.473   4.571  -0.709
  282    HB   ILE  44           HB       ILE  44   9.109   7.000  -2.230
  283   1HG1  ILE  44          2HG1      ILE  44  10.614   5.093  -2.024
  284   2HG1  ILE  44          1HG1      ILE  44  11.346   6.497  -1.244
  285   1HG2  ILE  44          1HG2      ILE  44   8.444   8.345  -0.418
  286   2HG2  ILE  44          2HG2      ILE  44  10.141   8.028  -0.057
  287   3HG2  ILE  44          3HG2      ILE  44   8.878   7.119   0.773
  288   1HD1  ILE  44          1HD1      ILE  44   9.700   5.164   0.680
  289   2HD1  ILE  44          2HD1      ILE  44  11.451   5.375   0.703
  290   3HD1  ILE  44          3HD1      ILE  44  10.743   3.962  -0.080
  291    H    CYS  45           H        CYS  45   6.691   4.171   0.576
  292    HA   CYS  45           HA       CYS  45   4.812   6.361   1.226
  293   1HB   CYS  45          HB2       CYS  45   3.821   4.606   2.753
  294   2HB   CYS  45          HB1       CYS  45   3.785   4.190   1.043
  295    H    ARG  46           H        ARG  46   7.577   4.700   2.446
  296    HA   ARG  46           HA       ARG  46   7.728   6.627   4.704
  297   1HB   ARG  46          HB2       ARG  46   6.696   4.229   5.282
  298   2HB   ARG  46          HB1       ARG  46   8.402   3.783   5.326
  299   1HG   ARG  46          HG2       ARG  46   8.770   4.930   7.247
  300   2HG   ARG  46          HG1       ARG  46   7.812   6.309   6.709
  301   1HD   ARG  46          HD2       ARG  46   5.912   4.319   7.071
  302   2HD   ARG  46          HD1       ARG  46   7.032   4.060   8.408
  303    HE   ARG  46           HE       ARG  46   6.670   6.716   8.624
  304   1HH1  ARG  46          1HH1      ARG  46   5.041   4.683  10.232
  305   2HH1  ARG  46          2HH1      ARG  46   3.432   5.260   9.954
  306   1HH2  ARG  46          1HH2      ARG  46   4.331   7.264   7.272
  307   2HH2  ARG  46          2HH2      ARG  46   3.029   6.722   8.279
  308    H    ILE  47           H        ILE  47   9.998   5.531   5.935
  309    HA   ILE  47           HA       ILE  47  12.002   4.967   3.871
  310    HB   ILE  47           HB       ILE  47  11.724   7.438   3.727
  311   1HG1  ILE  47          2HG1      ILE  47  14.318   6.436   4.944
  312   2HG1  ILE  47          1HG1      ILE  47  13.913   6.489   3.227
  313   1HG2  ILE  47          1HG2      ILE  47  13.033   8.030   6.256
  314   2HG2  ILE  47          2HG2      ILE  47  11.485   7.224   6.513
  315   3HG2  ILE  47          3HG2      ILE  47  11.557   8.718   5.577
  316   1HD1  ILE  47          1HD1      ILE  47  15.263   8.419   3.643
  317   2HD1  ILE  47          2HD1      ILE  47  14.350   8.826   5.096
  318   3HD1  ILE  47          3HD1      ILE  47  13.605   9.003   3.508
  319    H    ALA  48           H        ALA  48  13.768   3.935   4.775
  320    HA   ALA  48           HA       ALA  48  13.752   3.687   7.753
  321   1HB   ALA  48          HB1       ALA  48  13.502   1.648   6.096
  322   2HB   ALA  48          HB2       ALA  48  14.519   1.499   7.529
  323   3HB   ALA  48          HB3       ALA  48  15.253   1.809   5.956
  324    H    ARG  49           H        ARG  49  15.506   4.449   8.854
  325    HA   ARG  49           HA       ARG  49  17.747   5.569   7.265
  326   1HB   ARG  49          HB2       ARG  49  16.970   5.863  10.182
  327   2HB   ARG  49          HB1       ARG  49  18.384   6.625   9.455
  328   1HG   ARG  49          HG2       ARG  49  17.138   8.229   8.452
  329   2HG   ARG  49          HG1       ARG  49  15.924   7.067   7.919
  330   1HD   ARG  49          HD2       ARG  49  14.599   7.423   9.740
  331   2HD   ARG  49          HD1       ARG  49  15.974   7.568  10.833
  332    HE   ARG  49           HE       ARG  49  16.181   9.898   9.481
  333   1HH1  ARG  49          1HH1      ARG  49  13.261   9.411   8.685
  334   2HH1  ARG  49          2HH1      ARG  49  12.434  10.325   9.900
  335   1HH2  ARG  49          1HH2      ARG  49  15.206  10.590  11.965
  336   2HH2  ARG  49          2HH2      ARG  49  13.536  10.996  11.756
  337    H    GLY  50           H        GLY  50  19.981   5.110   7.945
  338   1HA   GLY  50          HA2       GLY  50  21.654   3.764   9.006
  339   2HA   GLY  50          HA1       GLY  50  20.377   2.738   9.662
  340    H    ASP  51           H        ASP  51  21.573   0.864   8.864
  341    HA   ASP  51           HA       ASP  51  21.914   0.594   5.953
  342   1HB   ASP  51          HB2       ASP  51  23.256  -0.474   8.090
  343   2HB   ASP  51          HB1       ASP  51  22.205  -1.816   7.634
  344    H    MET  52           H        MET  52  19.303   1.030   6.237
  345    HA   MET  52           HA       MET  52  18.087  -1.686   5.939
  346   1HB   MET  52          HB2       MET  52  16.707   0.742   7.124
  347   2HB   MET  52          HB1       MET  52  16.051  -0.891   7.000
  348   1HG   MET  52          HG2       MET  52  18.281  -1.490   8.340
  349   2HG   MET  52          HG1       MET  52  18.117   0.185   8.868
  350   1HE   MET  52          HE1       MET  52  15.749  -3.466  10.038
  351   2HE   MET  52          HE2       MET  52  17.371  -3.292   9.374
  352   3HE   MET  52          HE3       MET  52  15.973  -3.134   8.314
  353    HA   PRO  53           HA       PRO  53  16.566  -0.171   2.111
  354   1HB   PRO  53          HB2       PRO  53  14.282  -1.682   1.882
  355   2HB   PRO  53          HB1       PRO  53  15.913  -2.333   1.653
  356   1HG   PRO  53          HG2       PRO  53  14.058  -2.686   3.961
  357   2HG   PRO  53          HG1       PRO  53  15.351  -3.752   3.389
  358   1HD   PRO  53          HD2       PRO  53  15.508  -2.000   5.604
  359   2HD   PRO  53          HD1       PRO  53  16.878  -2.813   4.818
  360    H    ASP  54           H        ASP  54  14.287   0.562   1.106
  361    HA   ASP  54           HA       ASP  54  13.055   2.393   3.117
  362   1HB   ASP  54          HB2       ASP  54  13.017   2.581   0.089
  363   2HB   ASP  54          HB1       ASP  54  12.425   3.798   1.221
  364    H    ASP  55           H        ASP  55  10.907   2.163   3.590
  365    HA   ASP  55           HA       ASP  55   9.465  -0.148   2.617
  366   1HB   ASP  55          HB2       ASP  55   8.222   2.218   4.027
  367   2HB   ASP  55          HB1       ASP  55   7.731   0.527   4.093
  368    H    ARG  56           H        ARG  56   8.797  -0.150   0.497
  369    HA   ARG  56           HA       ARG  56   7.571   2.362  -0.551
  370   1HB   ARG  56          HB2       ARG  56   8.455   0.042  -2.261
  371   2HB   ARG  56          HB1       ARG  56   8.246   1.732  -2.721
  372   1HG   ARG  56          HG2       ARG  56  10.129   2.181  -0.962
  373   2HG   ARG  56          HG1       ARG  56  10.484   0.464  -1.162
  374   1HD   ARG  56          HD2       ARG  56  10.102   1.591  -3.760
  375   2HD   ARG  56          HD1       ARG  56  11.224   2.626  -2.878
  376    HE   ARG  56           HE       ARG  56  12.578   0.529  -2.454
  377   1HH1  ARG  56          1HH1      ARG  56  10.023  -0.783  -3.945
  378   2HH1  ARG  56          2HH1      ARG  56  10.848  -1.379  -5.346
  379   1HH2  ARG  56          1HH2      ARG  56  13.758   0.394  -4.714
  380   2HH2  ARG  56          2HH2      ARG  56  12.963  -0.714  -5.780
  381    H    CYS  57           H        CYS  57   5.508   2.230  -1.528
  382    HA   CYS  57           HA       CYS  57   3.702   0.267  -0.505
  383   1HB   CYS  57          HB2       CYS  57   3.437   2.052  -2.938
  384   2HB   CYS  57          HB1       CYS  57   2.119   1.119  -2.246
  385    H    THR  58           H        THR  58   2.688  -1.516  -1.567
  386    HA   THR  58           HA       THR  58   4.391  -2.765  -3.646
  387    HB   THR  58           HB       THR  58   3.269  -4.837  -3.083
  388    HG1  THR  58           HG1      THR  58   1.303  -4.728  -2.410
  389   1HG2  THR  58          1HG2      THR  58   3.796  -3.269  -0.544
  390   2HG2  THR  58          2HG2      THR  58   5.045  -4.017  -1.539
  391   3HG2  THR  58          3HG2      THR  58   3.850  -5.023  -0.722
  392    H    GLY  59           H        GLY  59   2.501  -0.537  -4.226
  393   1HA   GLY  59          HA2       GLY  59   1.126  -0.011  -6.061
  394   2HA   GLY  59          HA1       GLY  59   1.321  -1.674  -6.614
  395    H    GLN  60           H        GLN  60   0.172  -3.257  -4.857
  396    HA   GLN  60           HA       GLN  60  -2.654  -2.453  -4.936
  397   1HB   GLN  60          HB2       GLN  60  -1.540  -4.998  -3.746
  398   2HB   GLN  60          HB1       GLN  60  -3.149  -4.722  -4.411
  399   1HG   GLN  60          HG2       GLN  60  -2.071  -4.312  -6.652
  400   2HG   GLN  60          HG1       GLN  60  -0.538  -4.822  -5.943
  401   1HE2  GLN  60          1HE2      GLN  60  -1.072  -6.503  -7.878
  402   2HE2  GLN  60          2HE2      GLN  60  -1.838  -7.929  -7.367
  403    H    SER  61           H        SER  61  -0.449  -1.412  -2.933
  404    HA   SER  61           HA       SER  61  -2.057  -1.960  -0.465
  405   1HB   SER  61          HB2       SER  61   0.865  -1.350  -0.869
  406   2HB   SER  61          HB1       SER  61   0.090  -1.096   0.691
  407    HG   SER  61           HG       SER  61   0.643  -3.154   0.856
  408    H    ALA  62           H        ALA  62  -3.430  -0.279  -0.105
  409    HA   ALA  62           HA       ALA  62  -2.910   2.404  -1.096
  410   1HB   ALA  62          HB1       ALA  62  -4.868   2.456   0.981
  411   2HB   ALA  62          HB2       ALA  62  -5.126   0.985   0.044
  412   3HB   ALA  62          HB3       ALA  62  -5.134   2.554  -0.759
  413    H    ASP  63           H        ASP  63  -2.653   0.753   2.022
  414    HA   ASP  63           HA       ASP  63  -1.622   3.233   3.279
  415   1HB   ASP  63          HB2       ASP  63  -2.070   0.490   4.498
  416   2HB   ASP  63          HB1       ASP  63  -1.725   1.981   5.373
  417    H    CYS  64           H        CYS  64   0.292   2.353   4.983
  418    HA   CYS  64           HA       CYS  64   2.241   0.891   3.263
  419   1HB   CYS  64          HB2       CYS  64   2.741   3.263   3.099
  420   2HB   CYS  64          HB1       CYS  64   2.770   3.416   4.852
  421    HA   PRO  65           HA       PRO  65   2.420  -1.300   7.124
  422   1HB   PRO  65          HB2       PRO  65   3.471  -3.542   5.954
  423   2HB   PRO  65          HB1       PRO  65   1.744  -3.186   5.984
  424   1HG   PRO  65          HG2       PRO  65   3.658  -3.073   3.722
  425   2HG   PRO  65          HG1       PRO  65   1.892  -3.217   3.688
  426   1HD   PRO  65          HD2       PRO  65   3.424  -0.859   3.215
  427   2HD   PRO  65          HD1       PRO  65   1.659  -0.968   3.366
  428    H    ARG  66           H        ARG  66   5.028  -2.602   5.133
  429    HA   ARG  66           HA       ARG  66   7.064  -0.978   6.509
  430   1HB   ARG  66          HB2       ARG  66   8.254  -3.027   7.346
  431   2HB   ARG  66          HB1       ARG  66   6.707  -2.742   8.140
  432   1HG   ARG  66          HG2       ARG  66   6.291  -4.319   5.762
  433   2HG   ARG  66          HG1       ARG  66   7.513  -5.084   6.778
  434   1HD   ARG  66          HD2       ARG  66   5.198  -4.030   8.264
  435   2HD   ARG  66          HD1       ARG  66   4.807  -5.340   7.151
  436    HE   ARG  66           HE       ARG  66   6.598  -6.675   8.340
  437   1HH1  ARG  66          1HH2      ARG  66   4.397  -4.608   9.856
  438   2HH1  ARG  66          2HH2      ARG  66   5.074  -4.779  11.441
  439   1HH2  ARG  66          1HH1      ARG  66   7.820  -6.600  10.362
  440   2HH2  ARG  66          2HH1      ARG  66   7.012  -5.905  11.728
  441    H    TYR  67           H        TYR  67   8.603  -3.774   5.589
  442    HA   TYR  67           HA       TYR  67   9.534  -2.544   3.116
  443   1HB   TYR  67          HB2       TYR  67  10.158  -5.366   3.957
  444   2HB   TYR  67          HB1       TYR  67  11.181  -4.220   3.090
  445    HD1  TYR  67           HD2      TYR  67  12.210  -2.297   4.286
  446    HD2  TYR  67           HD1      TYR  67  10.005  -5.342   6.361
  447    HE1  TYR  67           HE2      TYR  67  13.189  -1.541   6.436
  448    HE2  TYR  67           HE1      TYR  67  10.984  -4.587   8.512
  449    HH   TYR  67           HH       TYR  67  13.538  -3.044   8.925
  450    H    HIS  68           H        HIS  68   8.062  -5.740   3.822
  451    HA   HIS  68           HA       HIS  68   6.379  -5.481   1.418
  452   1HB   HIS  68          HB2       HIS  68   7.217  -7.767   0.606
  453   2HB   HIS  68          HB1       HIS  68   8.295  -6.397   0.337
  454    HD1  HIS  68           HD1      HIS  68   8.065  -9.641   2.087
  455    HD2  HIS  68           HD2      HIS  68  10.497  -6.260   2.263
  456    HE1  HIS  68           HE1      HIS  68  10.123 -10.308   3.406
  Start of MODEL    4
    1   1H    GLY   1          HT1       GLY   1  -8.092  -5.754   4.695
    2   2H    GLY   1          HT2       GLY   1  -8.762  -7.109   5.469
    3   3H    GLY   1          HT3       GLY   1  -7.481  -6.258   6.194
    4   1HA   GLY   1          HA1       GLY   1  -8.823  -4.758   7.110
    5   2HA   GLY   1          HA2       GLY   1  -9.727  -4.577   5.606
    6    H    LYS   2           H        LYS   2 -11.318  -4.563   7.723
    7    HA   LYS   2           HA       LYS   2 -12.266  -7.362   8.126
    8   1HB   LYS   2          HB2       LYS   2 -12.612  -4.822   9.716
    9   2HB   LYS   2          HB1       LYS   2 -13.674  -6.209   9.965
   10   1HG   LYS   2          HG2       LYS   2 -11.440  -7.560  10.144
   11   2HG   LYS   2          HG1       LYS   2 -10.717  -5.983  10.460
   12   1HD   LYS   2          HD2       LYS   2 -12.164  -5.622  12.359
   13   2HD   LYS   2          HD1       LYS   2 -13.100  -7.069  11.983
   14   1HE   LYS   2          HE2       LYS   2 -10.967  -8.402  12.279
   15   2HE   LYS   2          HE1       LYS   2 -10.219  -6.932  12.902
   16   1HZ   LYS   2          HZ1       LYS   2 -11.329  -7.083  14.822
   17   2HZ   LYS   2          HZ2       LYS   2 -11.551  -8.715  14.400
   18   3HZ   LYS   2          HZ3       LYS   2 -12.773  -7.579  14.083
   19    H    GLU   3           H        GLU   3 -14.433  -4.730   8.710
   20    HA   GLU   3           HA       GLU   3 -15.965  -5.510   6.263
   21   1HB   GLU   3          HB2       GLU   3 -16.726  -5.477   9.008
   22   2HB   GLU   3          HB1       GLU   3 -17.613  -4.183   8.203
   23   1HG   GLU   3          HG2       GLU   3 -18.335  -5.795   6.454
   24   2HG   GLU   3          HG1       GLU   3 -17.501  -7.084   7.324
   25    H    CYS   4           H        CYS   4 -13.996  -3.155   7.291
   26    HA   CYS   4           HA       CYS   4 -15.568  -1.060   5.873
   27   1HB   CYS   4          HB2       CYS   4 -15.333  -0.782   8.443
   28   2HB   CYS   4          HB1       CYS   4 -13.665  -0.427   8.101
   29    H    ASP   5           H        ASP   5 -14.436   0.023   4.307
   30    HA   ASP   5           HA       ASP   5 -11.618  -0.840   3.895
   31   1HB   ASP   5          HB2       ASP   5 -13.712  -0.884   2.149
   32   2HB   ASP   5          HB1       ASP   5 -12.993   0.680   1.760
   33    H    CYS   6           H        CYS   6 -13.532   1.813   4.858
   34    HA   CYS   6           HA       CYS   6 -11.168   3.620   4.518
   35   1HB   CYS   6          HB2       CYS   6 -12.677   5.499   4.253
   36   2HB   CYS   6          HB1       CYS   6 -13.147   4.256   3.095
   37    H    SER   7           H        SER   7 -11.342   5.487   6.230
   38    HA   SER   7           HA       SER   7 -11.919   4.170   8.834
   39   1HB   SER   7          HB2       SER   7  -9.780   5.768   7.890
   40   2HB   SER   7          HB1       SER   7 -10.633   6.739   9.087
   41    HG   SER   7           HG       SER   7  -8.917   5.023   9.689
   42    H    SER   8           H        SER   8 -13.019   6.737   6.771
   43    HA   SER   8           HA       SER   8 -14.678   7.811   9.009
   44   1HB   SER   8          HB2       SER   8 -13.090   9.249   7.394
   45   2HB   SER   8          HB1       SER   8 -14.534   9.222   6.386
   46    HG   SER   8           HG       SER   8 -14.046  10.503   8.770
   47    HA   PRO   9           HA       PRO   9 -18.126   5.945   6.952
   48   1HB   PRO   9          HB2       PRO   9 -20.074   7.103   8.503
   49   2HB   PRO   9          HB1       PRO   9 -19.074   5.744   9.044
   50   1HG   PRO   9          HG2       PRO   9 -18.927   8.612   9.838
   51   2HG   PRO   9          HG1       PRO   9 -18.421   7.172  10.736
   52   1HD   PRO   9          HD2       PRO   9 -16.714   8.946   9.325
   53   2HD   PRO   9          HD1       PRO   9 -16.268   7.352   9.972
   54    H    GLU  10           H        GLU  10 -17.734   9.409   7.335
   55    HA   GLU  10           HA       GLU  10 -19.941  10.016   5.476
   56   1HB   GLU  10          HB2       GLU  10 -19.590  12.281   6.021
   57   2HB   GLU  10          HB1       GLU  10 -19.190  11.446   7.520
   58   1HG   GLU  10          HG2       GLU  10 -16.775  11.421   6.201
   59   2HG   GLU  10          HG1       GLU  10 -17.447  12.976   5.705
   60    H    ASN  11           H        ASN  11 -16.851   8.904   5.122
   61    HA   ASN  11           HA       ASN  11 -15.869  10.584   2.997
   62   1HB   ASN  11          HB2       ASN  11 -14.556   8.920   4.456
   63   2HB   ASN  11          HB1       ASN  11 -15.185   7.667   3.385
   64   1HD2  ASN  11          1HD2      ASN  11 -12.382   9.096   3.778
   65   2HD2  ASN  11          2HD2      ASN  11 -11.908   9.407   2.178
   66    HA   PRO  12           HA       PRO  12 -18.618   8.951  -0.106
   67   1HB   PRO  12          HB2       PRO  12 -17.564  10.401  -2.192
   68   2HB   PRO  12          HB1       PRO  12 -18.684  11.078  -0.996
   69   1HG   PRO  12          HG2       PRO  12 -15.739  11.485  -1.253
   70   2HG   PRO  12          HG1       PRO  12 -16.964  12.560  -0.558
   71   1HD   PRO  12          HD2       PRO  12 -15.188  10.926   0.908
   72   2HD   PRO  12          HD1       PRO  12 -16.640  11.719   1.552
   73    H    CYS  13           H        CYS  13 -15.234   8.577   0.101
   74    HA   CYS  13           HA       CYS  13 -14.917   7.048  -2.380
   75   1HB   CYS  13          HB2       CYS  13 -13.180   7.973  -0.162
   76   2HB   CYS  13          HB1       CYS  13 -12.681   6.478  -0.953
   77    H    CYS  14           H        CYS  14 -16.400   6.394   0.498
   78    HA   CYS  14           HA       CYS  14 -16.147   3.500   0.005
   79   1HB   CYS  14          HB2       CYS  14 -15.507   2.943   2.242
   80   2HB   CYS  14          HB1       CYS  14 -14.402   4.211   1.722
   81    H    ASP  15           H        ASP  15 -18.056   2.460   0.336
   82    HA   ASP  15           HA       ASP  15 -20.432   3.999   0.863
   83   1HB   ASP  15          HB2       ASP  15 -20.187   1.798  -0.482
   84   2HB   ASP  15          HB1       ASP  15 -20.260   0.994   1.087
   85    H    ALA  16           H        ALA  16 -20.809   4.809   2.872
   86    HA   ALA  16           HA       ALA  16 -19.704   3.735   5.287
   87   1HB   ALA  16          HB1       ALA  16 -21.049   6.051   4.579
   88   2HB   ALA  16          HB2       ALA  16 -20.578   5.605   6.218
   89   3HB   ALA  16          HB3       ALA  16 -22.200   5.232   5.634
   90    H    ALA  17           H        ALA  17 -22.772   3.205   3.614
   91    HA   ALA  17           HA       ALA  17 -24.258   1.921   5.610
   92   1HB   ALA  17          HB1       ALA  17 -25.164   2.320   3.369
   93   2HB   ALA  17          HB2       ALA  17 -25.294   0.605   3.762
   94   3HB   ALA  17          HB3       ALA  17 -24.021   1.168   2.679
   95    H    THR  18           H        THR  18 -21.576   0.673   3.669
   96    HA   THR  18           HA       THR  18 -21.627  -1.795   5.356
   97    HB   THR  18           HB       THR  18 -21.967  -2.360   3.019
   98    HG1  THR  18           HG1      THR  18 -20.671  -3.903   3.604
   99   1HG2  THR  18          1HG2      THR  18 -21.182  -0.944   1.460
  100   2HG2  THR  18          2HG2      THR  18 -19.572  -1.600   1.757
  101   3HG2  THR  18          3HG2      THR  18 -20.117  -0.169   2.633
  102    H    CYS  19           H        CYS  19 -19.972   1.087   4.716
  103    HA   CYS  19           HA       CYS  19 -17.959   1.887   5.683
  104   1HB   CYS  19          HB2       CYS  19 -18.712  -0.099   7.373
  105   2HB   CYS  19          HB1       CYS  19 -17.146  -0.682   6.834
  106    H    LYS  20           H        LYS  20 -18.278  -0.333   3.292
  107    HA   LYS  20           HA       LYS  20 -15.363  -0.788   2.970
  108   1HB   LYS  20          HB2       LYS  20 -17.742  -1.776   1.394
  109   2HB   LYS  20          HB1       LYS  20 -16.063  -2.101   0.951
  110   1HG   LYS  20          HG2       LYS  20 -16.052  -2.799   3.594
  111   2HG   LYS  20          HG1       LYS  20 -17.691  -3.259   3.130
  112   1HD   LYS  20          HD2       LYS  20 -16.404  -5.182   2.645
  113   2HD   LYS  20          HD1       LYS  20 -16.586  -4.386   1.082
  114   1HE   LYS  20          HE2       LYS  20 -14.227  -5.150   1.623
  115   2HE   LYS  20          HE1       LYS  20 -14.381  -3.441   1.211
  116   1HZ   LYS  20          HZ1       LYS  20 -13.893  -2.800   3.295
  117   2HZ   LYS  20          HZ2       LYS  20 -13.139  -4.319   3.389
  118   3HZ   LYS  20          HZ3       LYS  20 -14.702  -4.103   4.019
  119    H    LEU  21           H        LEU  21 -14.621  -0.543   0.572
  120    HA   LEU  21           HA       LEU  21 -14.720   2.266  -0.062
  121   1HB   LEU  21          HB2       LEU  21 -13.453  -0.151  -1.193
  122   2HB   LEU  21          HB1       LEU  21 -13.765   1.154  -2.333
  123    HG   LEU  21           HG       LEU  21 -12.614   2.052   0.227
  124   1HD1  LEU  21          1HD1      LEU  21 -10.663   0.890   0.212
  125   2HD1  LEU  21          2HD1      LEU  21 -10.556   0.949  -1.545
  126   3HD1  LEU  21          3HD1      LEU  21 -11.539  -0.284  -0.770
  127   1HD2  LEU  21          1HD2      LEU  21 -11.203   2.641  -2.240
  128   2HD2  LEU  21          2HD2      LEU  21 -11.984   3.742  -1.106
  129   3HD2  LEU  21          3HD2      LEU  21 -12.929   2.970  -2.379
  130    H    ARG  22           H        ARG  22 -14.886   2.575  -2.626
  131    HA   ARG  22           HA       ARG  22 -17.584   1.598  -3.430
  132   1HB   ARG  22          HB2       ARG  22 -16.404   4.277  -3.381
  133   2HB   ARG  22          HB1       ARG  22 -17.001   3.842  -4.983
  134   1HG   ARG  22          HG2       ARG  22 -19.144   3.066  -3.801
  135   2HG   ARG  22          HG1       ARG  22 -18.539   3.925  -2.384
  136   1HD   ARG  22          HD2       ARG  22 -18.378   5.498  -4.859
  137   2HD   ARG  22          HD1       ARG  22 -20.027   5.068  -4.405
  138    HE   ARG  22           HE       ARG  22 -18.261   6.273  -2.338
  139   1HH1  ARG  22          1HH1      ARG  22 -21.291   5.832  -2.155
  140   2HH1  ARG  22          2HH1      ARG  22 -21.867   7.446  -2.402
  141   1HH2  ARG  22          1HH2      ARG  22 -18.856   8.614  -3.661
  142   2HH2  ARG  22          2HH2      ARG  22 -20.490   9.021  -3.255
  143    HA   PRO  23           HA       PRO  23 -15.654  -0.307  -6.869
  144   1HB   PRO  23          HB2       PRO  23 -17.606   0.123  -8.779
  145   2HB   PRO  23          HB1       PRO  23 -17.714  -1.108  -7.506
  146   1HG   PRO  23          HG2       PRO  23 -19.023   1.600  -7.627
  147   2HG   PRO  23          HG1       PRO  23 -19.652   0.080  -6.962
  148   1HD   PRO  23          HD2       PRO  23 -18.605   2.087  -5.362
  149   2HD   PRO  23          HD1       PRO  23 -18.572   0.371  -4.922
  150    H    GLY  24           H        GLY  24 -16.169   3.028  -6.710
  151   1HA   GLY  24          HA2       GLY  24 -15.010   3.557  -9.387
  152   2HA   GLY  24          HA1       GLY  24 -15.642   4.778  -8.282
  153    H    ALA  25           H        ALA  25 -13.856   2.705  -6.423
  154    HA   ALA  25           HA       ALA  25 -11.218   3.894  -7.011
  155   1HB   ALA  25          HB1       ALA  25 -11.394   5.496  -5.434
  156   2HB   ALA  25          HB2       ALA  25 -11.515   4.219  -4.223
  157   3HB   ALA  25          HB3       ALA  25 -12.977   4.894  -4.942
  158    H    GLN  26           H        GLN  26  -9.512   2.875  -5.619
  159    HA   GLN  26           HA       GLN  26 -10.308   0.085  -4.908
  160   1HB   GLN  26          HB2       GLN  26  -8.142   1.169  -6.426
  161   2HB   GLN  26          HB1       GLN  26  -7.467   0.426  -4.976
  162   1HG   GLN  26          HG2       GLN  26  -7.583  -1.425  -6.369
  163   2HG   GLN  26          HG1       GLN  26  -9.160  -1.520  -5.585
  164   1HE2  GLN  26          1HE2      GLN  26  -7.587  -0.158  -8.526
  165   2HE2  GLN  26          2HE2      GLN  26  -8.968  -0.286  -9.504
  166    H    CYS  27           H        CYS  27  -9.337   3.058  -3.589
  167    HA   CYS  27           HA       CYS  27  -9.133   1.888  -0.900
  168   1HB   CYS  27          HB2       CYS  27  -6.999   3.336  -0.556
  169   2HB   CYS  27          HB1       CYS  27  -6.828   1.766  -1.341
  170    H    GLY  28           H        GLY  28  -9.686   3.459   0.696
  171   1HA   GLY  28          HA2       GLY  28 -10.847   5.935  -0.442
  172   2HA   GLY  28          HA1       GLY  28 -11.171   5.302   1.169
  173    H    GLU  29           H        GLU  29  -8.503   4.833   1.937
  174    HA   GLU  29           HA       GLU  29  -7.125   7.428   1.673
  175   1HB   GLU  29          HB2       GLU  29  -7.103   7.805   4.063
  176   2HB   GLU  29          HB1       GLU  29  -8.772   7.639   3.535
  177   1HG   GLU  29          HG2       GLU  29  -8.810   6.200   5.338
  178   2HG   GLU  29          HG1       GLU  29  -8.305   5.074   4.076
  179    H    GLY  30           H        GLY  30  -4.878   7.287   2.439
  180   1HA   GLY  30          HA2       GLY  30  -3.574   5.235   3.729
  181   2HA   GLY  30          HA1       GLY  30  -3.776   4.597   2.096
  182    H    LEU  31           H        LEU  31  -1.213   4.946   2.929
  183    HA   LEU  31           HA       LEU  31  -0.183   7.594   2.266
  184   1HB   LEU  31          HB2       LEU  31   0.921   5.016   3.191
  185   2HB   LEU  31          HB1       LEU  31   1.987   5.924   2.127
  186    HG   LEU  31           HG       LEU  31   0.627   7.107   4.557
  187   1HD1  LEU  31          1HD1      LEU  31   3.536   6.799   4.630
  188   2HD1  LEU  31          2HD1      LEU  31   2.692   5.252   4.554
  189   3HD1  LEU  31          3HD1      LEU  31   2.335   6.388   5.854
  190   1HD2  LEU  31          1HD2      LEU  31   3.058   8.179   3.146
  191   2HD2  LEU  31          2HD2      LEU  31   1.870   9.044   4.121
  192   3HD2  LEU  31          3HD2      LEU  31   1.453   8.510   2.494
  193    H    CYS  32           H        CYS  32  -0.459   4.474   0.598
  194    HA   CYS  32           HA       CYS  32   0.699   5.753  -1.838
  195   1HB   CYS  32          HB2       CYS  32   0.466   2.910  -0.892
  196   2HB   CYS  32          HB1       CYS  32   0.637   3.250  -2.615
  197    H    CYS  33           H        CYS  33  -1.996   6.369  -1.041
  198    HA   CYS  33           HA       CYS  33  -3.456   5.031  -3.278
  199   1HB   CYS  33          HB2       CYS  33  -4.416   4.268  -1.182
  200   2HB   CYS  33          HB1       CYS  33  -4.561   5.924  -0.598
  201    H    GLU  34           H        GLU  34  -3.436   6.560  -4.857
  202    HA   GLU  34           HA       GLU  34  -3.986   9.390  -4.110
  203   1HB   GLU  34          HB2       GLU  34  -1.961   9.033  -5.459
  204   2HB   GLU  34          HB1       GLU  34  -2.909   8.183  -6.680
  205   1HG   GLU  34          HG2       GLU  34  -3.037  10.240  -7.657
  206   2HG   GLU  34          HG1       GLU  34  -4.318  10.508  -6.473
  207    H    GLN  35           H        GLN  35  -5.915  10.301  -4.727
  208    HA   GLN  35           HA       GLN  35  -8.068  10.437  -5.637
  209   1HB   GLN  35          HB2       GLN  35  -6.856   8.592  -7.719
  210   2HB   GLN  35          HB1       GLN  35  -8.408   9.417  -7.879
  211   1HG   GLN  35          HG2       GLN  35  -7.045  11.583  -7.401
  212   2HG   GLN  35          HG1       GLN  35  -5.641  10.605  -7.833
  213   1HE2  GLN  35          1HE2      GLN  35  -8.483  12.217  -9.108
  214   2HE2  GLN  35          2HE2      GLN  35  -8.188  11.862 -10.743
  215    H    CYS  36           H        CYS  36  -7.347   8.386  -3.663
  216    HA   CYS  36           HA       CYS  36  -8.384   6.582  -2.600
  217   1HB   CYS  36          HB2       CYS  36 -10.520   7.351  -4.593
  218   2HB   CYS  36          HB1       CYS  36 -10.733   6.028  -3.439
  219    H    LYS  37           H        LYS  37  -6.777   6.353  -5.235
  220    HA   LYS  37           HA       LYS  37  -7.585   3.530  -5.814
  221   1HB   LYS  37          HB2       LYS  37  -6.871   5.775  -7.618
  222   2HB   LYS  37          HB1       LYS  37  -6.140   4.218  -8.010
  223   1HG   LYS  37          HG2       LYS  37  -8.573   3.295  -7.636
  224   2HG   LYS  37          HG1       LYS  37  -9.046   4.971  -7.921
  225   1HD   LYS  37          HD2       LYS  37  -8.910   4.537 -10.128
  226   2HD   LYS  37          HD1       LYS  37  -7.162   4.419  -9.919
  227   1HE   LYS  37          HE2       LYS  37  -7.383   2.015  -9.403
  228   2HE   LYS  37          HE1       LYS  37  -9.129   2.129  -9.617
  229   1HZ   LYS  37          HZ1       LYS  37  -8.933   2.402 -11.864
  230   2HZ   LYS  37          HZ2       LYS  37  -7.600   1.389 -11.575
  231   3HZ   LYS  37          HZ3       LYS  37  -7.372   3.060 -11.775
  232    H    PHE  38           H        PHE  38  -5.748   2.094  -6.311
  233    HA   PHE  38           HA       PHE  38  -3.568   2.502  -4.480
  234   1HB   PHE  38          HB2       PHE  38  -4.081   0.509  -6.689
  235   2HB   PHE  38          HB1       PHE  38  -2.580   0.504  -5.772
  236    HD1  PHE  38           HD1      PHE  38  -2.978   0.760  -3.103
  237    HD2  PHE  38           HD2      PHE  38  -5.784  -0.869  -5.918
  238    HE1  PHE  38           HE1      PHE  38  -4.104  -0.473  -1.269
  239    HE2  PHE  38           HE2      PHE  38  -6.910  -2.100  -4.083
  240    HZ   PHE  38           HZ       PHE  38  -6.070  -1.902  -1.760
  241    H    SER  39           H        SER  39  -1.609   3.451  -4.820
  242    HA   SER  39           HA       SER  39  -1.180   5.009  -7.210
  243   1HB   SER  39          HB2       SER  39   0.697   4.315  -4.931
  244   2HB   SER  39          HB1       SER  39   1.051   5.493  -6.190
  245    HG   SER  39           HG       SER  39   0.027   6.213  -4.104
  246    H    ARG  40           H        ARG  40   1.781   3.515  -6.410
  247    HA   ARG  40           HA       ARG  40   1.462   1.477  -8.552
  248   1HB   ARG  40          HB2       ARG  40   3.936   3.163  -8.563
  249   2HB   ARG  40          HB1       ARG  40   3.156   2.314  -9.897
  250   1HG   ARG  40          HG2       ARG  40   1.294   3.949  -9.833
  251   2HG   ARG  40          HG1       ARG  40   2.113   4.814  -8.534
  252   1HD   ARG  40          HD2       ARG  40   3.404   5.909 -10.016
  253   2HD   ARG  40          HD1       ARG  40   3.951   4.384 -10.712
  254    HE   ARG  40           HE       ARG  40   1.969   6.135 -11.865
  255   1HH1  ARG  40          1HH1      ARG  40   0.267   3.782 -11.393
  256   2HH1  ARG  40          2HH1      ARG  40   0.575   2.788 -12.777
  257   1HH2  ARG  40          1HH2      ARG  40   3.492   4.455 -13.651
  258   2HH2  ARG  40          2HH2      ARG  40   2.403   3.171 -14.058
  259    H    ALA  41           H        ALA  41   3.367  -0.035  -8.581
  260    HA   ALA  41           HA       ALA  41   4.071  -0.794  -5.863
  261   1HB   ALA  41          HB1       ALA  41   5.667  -2.268  -7.648
  262   2HB   ALA  41          HB2       ALA  41   4.148  -1.996  -8.503
  263   3HB   ALA  41          HB3       ALA  41   4.142  -2.783  -6.925
  264    H    GLY  42           H        GLY  42   6.231  -0.873  -5.006
  265   1HA   GLY  42          HA2       GLY  42   8.439  -0.107  -4.723
  266   2HA   GLY  42          HA1       GLY  42   8.479   0.232  -6.454
  267    H    LYS  43           H        LYS  43   6.086   1.525  -4.191
  268    HA   LYS  43           HA       LYS  43   6.980   4.257  -4.966
  269   1HB   LYS  43          HB2       LYS  43   4.678   4.196  -5.263
  270   2HB   LYS  43          HB1       LYS  43   4.429   3.080  -3.927
  271   1HG   LYS  43          HG2       LYS  43   3.577   5.315  -3.347
  272   2HG   LYS  43          HG1       LYS  43   4.944   4.894  -2.322
  273   1HD   LYS  43          HD2       LYS  43   6.445   6.174  -3.838
  274   2HD   LYS  43          HD1       LYS  43   5.038   6.657  -4.786
  275   1HE   LYS  43          HE2       LYS  43   4.744   7.133  -1.898
  276   2HE   LYS  43          HE1       LYS  43   6.038   8.068  -2.648
  277   1HZ   LYS  43          HZ1       LYS  43   4.137   9.364  -2.914
  278   2HZ   LYS  43          HZ2       LYS  43   3.162   8.034  -3.326
  279   3HZ   LYS  43          HZ3       LYS  43   4.325   8.611  -4.422
  280    H    ILE  44           H        ILE  44   8.211   5.410  -3.588
  281    HA   ILE  44           HA       ILE  44   9.013   4.420  -1.030
  282    HB   ILE  44           HB       ILE  44  10.400   5.970  -2.334
  283   1HG1  ILE  44          2HG1      ILE  44  11.094   7.396  -0.505
  284   2HG1  ILE  44          1HG1      ILE  44   9.504   7.278   0.251
  285   1HG2  ILE  44          1HG2      ILE  44   8.900   8.380  -1.602
  286   2HG2  ILE  44          2HG2      ILE  44   8.024   7.338  -2.725
  287   3HG2  ILE  44          3HG2      ILE  44   9.629   7.937  -3.145
  288   1HD1  ILE  44          1HD1      ILE  44  11.356   5.764   1.203
  289   2HD1  ILE  44          2HD1      ILE  44  11.192   4.831  -0.284
  290   3HD1  ILE  44          3HD1      ILE  44   9.820   4.992   0.811
  291    H    CYS  45           H        CYS  45   6.941   4.008   0.005
  292    HA   CYS  45           HA       CYS  45   5.158   6.230   0.685
  293   1HB   CYS  45          HB2       CYS  45   4.225   4.497   2.324
  294   2HB   CYS  45          HB1       CYS  45   4.078   4.131   0.612
  295    H    ARG  46           H        ARG  46   7.713   4.393   2.298
  296    HA   ARG  46           HA       ARG  46   7.681   6.486   4.443
  297   1HB   ARG  46          HB2       ARG  46   7.469   3.570   4.655
  298   2HB   ARG  46          HB1       ARG  46   8.757   4.244   5.656
  299   1HG   ARG  46          HG2       ARG  46   6.853   6.033   6.229
  300   2HG   ARG  46          HG1       ARG  46   5.807   4.671   5.819
  301   1HD   ARG  46          HD2       ARG  46   7.179   3.259   7.405
  302   2HD   ARG  46          HD1       ARG  46   7.988   4.739   7.921
  303    HE   ARG  46           HE       ARG  46   5.023   4.438   8.163
  304   1HH1  ARG  46          1HH1      ARG  46   7.699   6.276   8.987
  305   2HH1  ARG  46          2HH1      ARG  46   7.327   6.392  10.673
  306   1HH2  ARG  46          1HH2      ARG  46   4.718   4.111  10.522
  307   2HH2  ARG  46          2HH2      ARG  46   5.640   5.164  11.544
  308    H    ILE  47           H        ILE  47   9.701   7.199   5.156
  309    HA   ILE  47           HA       ILE  47  12.038   6.210   3.572
  310    HB   ILE  47           HB       ILE  47  11.299   8.629   3.262
  311   1HG1  ILE  47          2HG1      ILE  47  13.814   9.375   4.019
  312   2HG1  ILE  47          1HG1      ILE  47  13.989   7.620   3.979
  313   1HG2  ILE  47          1HG2      ILE  47  11.600  10.188   5.017
  314   2HG2  ILE  47          2HG2      ILE  47  12.548   9.051   5.978
  315   3HG2  ILE  47          3HG2      ILE  47  10.810   8.816   5.797
  316   1HD1  ILE  47          1HD1      ILE  47  14.351   9.056   1.782
  317   2HD1  ILE  47          2HD1      ILE  47  12.591   8.969   1.700
  318   3HD1  ILE  47          3HD1      ILE  47  13.547   7.488   1.705
  319    H    ALA  48           H        ALA  48  13.853   5.538   4.712
  320    HA   ALA  48           HA       ALA  48  13.514   5.083   7.586
  321   1HB   ALA  48          HB1       ALA  48  15.459   4.251   5.482
  322   2HB   ALA  48          HB2       ALA  48  14.638   3.277   6.701
  323   3HB   ALA  48          HB3       ALA  48  16.031   4.262   7.151
  324    H    ARG  49           H        ARG  49  14.565   6.177   9.231
  325    HA   ARG  49           HA       ARG  49  16.232   8.516   8.394
  326   1HB   ARG  49          HB2       ARG  49  14.126   8.141  10.441
  327   2HB   ARG  49          HB1       ARG  49  15.532   9.063  10.972
  328   1HG   ARG  49          HG2       ARG  49  14.906  10.855   9.759
  329   2HG   ARG  49          HG1       ARG  49  14.720   9.871   8.307
  330   1HD   ARG  49          HD2       ARG  49  12.493  10.160   8.500
  331   2HD   ARG  49          HD1       ARG  49  12.559   9.151   9.945
  332    HE   ARG  49           HE       ARG  49  12.029  11.951   9.946
  333   1HH1  ARG  49          1HH1      ARG  49  12.541   9.390  11.971
  334   2HH1  ARG  49          2HH1      ARG  49  13.232  10.298  13.275
  335   1HH2  ARG  49          1HH2      ARG  49  13.534  13.218  11.431
  336   2HH2  ARG  49          2HH2      ARG  49  13.796  12.465  12.968
  337    H    GLY  50           H        GLY  50  17.925   6.646   8.370
  338   1HA   GLY  50          HA2       GLY  50  19.873   6.954  10.262
  339   2HA   GLY  50          HA1       GLY  50  18.825   5.750  11.013
  340    H    ASP  51           H        ASP  51  19.866   3.820  10.766
  341    HA   ASP  51           HA       ASP  51  21.257   3.243   8.210
  342   1HB   ASP  51          HB2       ASP  51  22.475   2.735  10.277
  343   2HB   ASP  51          HB1       ASP  51  21.150   1.710  10.827
  344    H    MET  52           H        MET  52  18.851   3.269   7.361
  345    HA   MET  52           HA       MET  52  18.027   0.431   7.174
  346   1HB   MET  52          HB2       MET  52  16.332   2.670   8.263
  347   2HB   MET  52          HB1       MET  52  15.581   1.310   7.427
  348   1HG   MET  52          HG2       MET  52  15.596   0.382   9.517
  349   2HG   MET  52          HG1       MET  52  17.255  -0.029   9.085
  350   1HE   MET  52          HE1       MET  52  17.578  -0.479  11.193
  351   2HE   MET  52          HE2       MET  52  17.177   0.482  12.614
  352   3HE   MET  52          HE3       MET  52  18.788   0.597  11.907
  353    HA   PRO  53           HA       PRO  53  17.265   1.620   3.017
  354   1HB   PRO  53          HB2       PRO  53  15.430  -0.308   2.325
  355   2HB   PRO  53          HB1       PRO  53  17.162  -0.630   2.524
  356   1HG   PRO  53          HG2       PRO  53  14.903  -1.337   4.337
  357   2HG   PRO  53          HG1       PRO  53  16.476  -2.127   4.143
  358   1HD   PRO  53          HD2       PRO  53  15.750  -0.372   6.243
  359   2HD   PRO  53          HD1       PRO  53  17.400  -0.906   5.851
  360    H    ASP  54           H        ASP  54  15.146   1.816   1.468
  361    HA   ASP  54           HA       ASP  54  13.310   3.613   2.950
  362   1HB   ASP  54          HB2       ASP  54  13.235   3.161  -0.026
  363   2HB   ASP  54          HB1       ASP  54  12.809   4.610   0.886
  364    H    ASP  55           H        ASP  55  10.958   3.445   2.514
  365    HA   ASP  55           HA       ASP  55  10.149   0.587   2.316
  366   1HB   ASP  55          HB2       ASP  55   8.725   3.049   3.369
  367   2HB   ASP  55          HB1       ASP  55   7.959   1.466   3.231
  368    H    ARG  56           H        ARG  56   9.542  -0.017   0.283
  369    HA   ARG  56           HA       ARG  56   8.241   2.038  -1.447
  370   1HB   ARG  56          HB2       ARG  56   9.284  -0.598  -2.451
  371   2HB   ARG  56          HB1       ARG  56   9.091   0.924  -3.322
  372   1HG   ARG  56          HG2       ARG  56  10.843   1.828  -1.597
  373   2HG   ARG  56          HG1       ARG  56  11.237   0.122  -1.380
  374   1HD   ARG  56          HD2       ARG  56  10.983   0.726  -4.194
  375   2HD   ARG  56          HD1       ARG  56  12.139   1.825  -3.442
  376    HE   ARG  56           HE       ARG  56  12.367  -1.154  -3.394
  377   1HH1  ARG  56          1HH1      ARG  56  14.251   0.256  -5.134
  378   2HH1  ARG  56          2HH1      ARG  56  15.624   0.519  -4.111
  379   1HH2  ARG  56          1HH2      ARG  56  13.877  -0.055  -1.171
  380   2HH2  ARG  56          2HH2      ARG  56  15.412   0.346  -1.867
  381    H    CYS  57           H        CYS  57   6.082   1.815  -1.785
  382    HA   CYS  57           HA       CYS  57   4.537  -0.312  -0.669
  383   1HB   CYS  57          HB2       CYS  57   3.919   1.714  -2.823
  384   2HB   CYS  57          HB1       CYS  57   2.732   0.536  -2.272
  385    H    THR  58           H        THR  58   3.195  -1.869  -1.917
  386    HA   THR  58           HA       THR  58   4.816  -3.126  -4.058
  387    HB   THR  58           HB       THR  58   3.770  -5.147  -3.508
  388    HG1  THR  58           HG1      THR  58   1.653  -4.606  -3.693
  389   1HG2  THR  58          1HG2      THR  58   4.422  -5.344  -1.348
  390   2HG2  THR  58          2HG2      THR  58   3.277  -4.119  -0.801
  391   3HG2  THR  58          3HG2      THR  58   4.836  -3.634  -1.467
  392    H    GLY  59           H        GLY  59   2.602  -0.816  -4.077
  393   1HA   GLY  59          HA2       GLY  59   1.378  -0.024  -5.959
  394   2HA   GLY  59          HA1       GLY  59   1.607  -1.594  -6.733
  395    H    GLN  60           H        GLN  60   0.566  -3.341  -4.890
  396    HA   GLN  60           HA       GLN  60  -2.309  -2.715  -5.076
  397   1HB   GLN  60          HB2       GLN  60  -0.909  -5.196  -4.028
  398   2HB   GLN  60          HB1       GLN  60  -2.633  -5.042  -4.368
  399   1HG   GLN  60          HG2       GLN  60  -0.988  -4.229  -6.640
  400   2HG   GLN  60          HG1       GLN  60  -0.691  -5.903  -6.166
  401   1HE2  GLN  60          1HE2      GLN  60  -3.300  -3.641  -7.115
  402   2HE2  GLN  60          2HE2      GLN  60  -4.378  -4.848  -7.626
  403    H    SER  61           H        SER  61   0.009  -1.896  -2.924
  404    HA   SER  61           HA       SER  61  -1.719  -2.369  -0.535
  405   1HB   SER  61          HB2       SER  61   1.047  -1.225  -0.367
  406   2HB   SER  61          HB1       SER  61   0.188  -2.238   0.790
  407    HG   SER  61           HG       SER  61   0.305  -3.822  -1.101
  408    H    ALA  62           H        ALA  62  -2.774  -0.657   0.378
  409    HA   ALA  62           HA       ALA  62  -2.463   1.997  -0.860
  410   1HB   ALA  62          HB1       ALA  62  -4.712   1.002  -0.241
  411   2HB   ALA  62          HB2       ALA  62  -4.423   2.621   0.396
  412   3HB   ALA  62          HB3       ALA  62  -4.261   1.217   1.451
  413    H    ASP  63           H        ASP  63  -2.388   0.737   2.497
  414    HA   ASP  63           HA       ASP  63  -1.040   3.160   3.428
  415   1HB   ASP  63          HB2       ASP  63  -1.642   0.523   4.801
  416   2HB   ASP  63          HB1       ASP  63  -0.922   1.923   5.600
  417    H    CYS  64           H        CYS  64   0.987   2.466   5.012
  418    HA   CYS  64           HA       CYS  64   2.782   0.765   3.344
  419   1HB   CYS  64          HB2       CYS  64   3.201   3.144   2.873
  420   2HB   CYS  64          HB1       CYS  64   3.501   3.436   4.583
  421    HA   PRO  65           HA       PRO  65   3.546  -1.068   7.262
  422   1HB   PRO  65          HB2       PRO  65   5.304  -2.919   6.284
  423   2HB   PRO  65          HB1       PRO  65   3.554  -3.079   6.138
  424   1HG   PRO  65          HG2       PRO  65   5.576  -2.407   4.065
  425   2HG   PRO  65          HG1       PRO  65   3.963  -3.113   3.870
  426   1HD   PRO  65          HD2       PRO  65   4.680  -0.408   3.405
  427   2HD   PRO  65          HD1       PRO  65   3.033  -1.067   3.476
  428    H    ARG  66           H        ARG  66   5.917  -2.074   8.109
  429    HA   ARG  66           HA       ARG  66   7.761   0.273   7.959
  430   1HB   ARG  66          HB2       ARG  66   7.203  -1.768  10.115
  431   2HB   ARG  66          HB1       ARG  66   8.685  -0.810  10.125
  432   1HG   ARG  66          HG2       ARG  66   7.528   0.853  11.106
  433   2HG   ARG  66          HG1       ARG  66   6.607   1.021   9.612
  434   1HD   ARG  66          HD2       ARG  66   4.805   0.467  10.867
  435   2HD   ARG  66          HD1       ARG  66   5.429  -1.180  10.785
  436    HE   ARG  66           HE       ARG  66   5.231   0.299  13.171
  437   1HH1  ARG  66          1HH2      ARG  66   6.227  -2.603  12.707
  438   2HH1  ARG  66          2HH2      ARG  66   7.776  -2.522  13.479
  439   1HH2  ARG  66          1HH1      ARG  66   7.836   0.945  13.586
  440   2HH2  ARG  66          2HH1      ARG  66   8.685  -0.514  13.978
  441    H    TYR  67           H        TYR  67  10.137  -0.656   8.647
  442    HA   TYR  67           HA       TYR  67  10.647  -3.014   6.874
  443   1HB   TYR  67          HB2       TYR  67  11.376  -0.518   6.183
  444   2HB   TYR  67          HB1       TYR  67  12.765  -0.940   7.187
  445    HD1  TYR  67           HD1      TYR  67  12.977  -3.855   6.713
  446    HD2  TYR  67           HD2      TYR  67  12.184  -0.648   3.968
  447    HE1  TYR  67           HE1      TYR  67  13.905  -5.214   4.857
  448    HE2  TYR  67           HE2      TYR  67  13.111  -2.007   2.113
  449    HH   TYR  67           HH       TYR  67  14.188  -5.355   2.646
  450    H    HIS  68           H        HIS  68  10.249  -3.447   9.546
  451    HA   HIS  68           HA       HIS  68  12.969  -4.233  10.420
  452   1HB   HIS  68          HB2       HIS  68  11.660  -1.999  11.518
  453   2HB   HIS  68          HB1       HIS  68  11.439  -3.291  12.697
  454    HD1  HIS  68           HD1      HIS  68  14.381  -2.279  10.471
  455    HD2  HIS  68           HD2      HIS  68  13.550  -3.167  14.459
  456    HE1  HIS  68           HE1      HIS  68  16.583  -2.123  11.715
  Start of MODEL    5
    1   1H    GLY   1          HT1       GLY   1 -12.746  -4.358  11.843
    2   2H    GLY   1          HT2       GLY   1 -11.071  -4.521  12.075
    3   3H    GLY   1          HT3       GLY   1 -12.152  -5.001  13.296
    4   1HA   GLY   1          HA1       GLY   1 -11.426  -6.978  12.260
    5   2HA   GLY   1          HA2       GLY   1 -13.070  -6.676  11.698
    6    H    LYS   2           H        LYS   2 -13.108  -7.307   9.577
    7    HA   LYS   2           HA       LYS   2 -11.030  -6.133   7.782
    8   1HB   LYS   2          HB2       LYS   2 -10.880  -8.193   6.532
    9   2HB   LYS   2          HB1       LYS   2 -10.625  -8.587   8.233
   10   1HG   LYS   2          HG2       LYS   2 -12.332 -10.047   8.110
   11   2HG   LYS   2          HG1       LYS   2 -13.423  -8.696   7.796
   12   1HD   LYS   2          HD2       LYS   2 -13.606  -9.226   5.605
   13   2HD   LYS   2          HD1       LYS   2 -11.864  -9.447   5.437
   14   1HE   LYS   2          HE2       LYS   2 -13.055 -11.561   7.046
   15   2HE   LYS   2          HE1       LYS   2 -13.791 -11.471   5.446
   16   1HZ   LYS   2          HZ1       LYS   2 -11.866 -12.894   5.391
   17   2HZ   LYS   2          HZ2       LYS   2 -10.887 -11.664   6.035
   18   3HZ   LYS   2          HZ3       LYS   2 -11.556 -11.495   4.483
   19    H    GLU   3           H        GLU   3 -13.788  -5.285   8.423
   20    HA   GLU   3           HA       GLU   3 -15.039  -5.700   5.735
   21   1HB   GLU   3          HB2       GLU   3 -16.354  -6.550   7.711
   22   2HB   GLU   3          HB1       GLU   3 -16.438  -4.889   8.299
   23   1HG   GLU   3          HG2       GLU   3 -17.203  -4.750   5.598
   24   2HG   GLU   3          HG1       GLU   3 -18.023  -6.175   6.239
   25    H    CYS   4           H        CYS   4 -13.170  -3.559   7.266
   26    HA   CYS   4           HA       CYS   4 -14.709  -1.164   6.361
   27   1HB   CYS   4          HB2       CYS   4 -12.523  -1.586   8.370
   28   2HB   CYS   4          HB1       CYS   4 -12.747   0.003   7.665
   29    H    ASP   5           H        ASP   5 -13.973  -0.068   4.571
   30    HA   ASP   5           HA       ASP   5 -11.380  -0.961   3.405
   31   1HB   ASP   5          HB2       ASP   5 -13.667  -0.848   2.098
   32   2HB   ASP   5          HB1       ASP   5 -13.281   0.869   1.972
   33    H    CYS   6           H        CYS   6 -13.047   1.807   4.752
   34    HA   CYS   6           HA       CYS   6 -10.580   3.436   4.269
   35   1HB   CYS   6          HB2       CYS   6 -11.947   5.417   4.310
   36   2HB   CYS   6          HB1       CYS   6 -12.729   4.277   3.217
   37    H    SER   7           H        SER   7  -9.889   4.795   6.060
   38    HA   SER   7           HA       SER   7 -10.577   3.585   8.683
   39   1HB   SER   7          HB2       SER   7  -8.156   4.275   7.583
   40   2HB   SER   7          HB1       SER   7  -8.496   5.670   8.603
   41    HG   SER   7           HG       SER   7  -7.769   4.391  10.115
   42    H    SER   8           H        SER   8 -11.574   6.170   6.833
   43    HA   SER   8           HA       SER   8 -12.278   7.725   9.287
   44   1HB   SER   8          HB2       SER   8 -11.732   8.787   6.502
   45   2HB   SER   8          HB1       SER   8 -12.244   9.759   7.878
   46    HG   SER   8           HG       SER   8  -9.819   9.251   7.235
   47    HA   PRO   9           HA       PRO   9 -16.404   6.896   7.872
   48   1HB   PRO   9          HB2       PRO   9 -17.672   8.376   9.810
   49   2HB   PRO   9          HB1       PRO   9 -16.988   6.768  10.101
   50   1HG   PRO   9          HG2       PRO   9 -15.950   9.428  10.952
   51   2HG   PRO   9          HG1       PRO   9 -15.689   7.836  11.683
   52   1HD   PRO   9          HD2       PRO   9 -13.855   9.237  10.031
   53   2HD   PRO   9          HD1       PRO   9 -13.736   7.534  10.527
   54    H    GLU  10           H        GLU  10 -14.834   9.933   7.918
   55    HA   GLU  10           HA       GLU  10 -17.164  11.365   6.762
   56   1HB   GLU  10          HB2       GLU  10 -15.669  13.355   6.883
   57   2HB   GLU  10          HB1       GLU  10 -15.867  12.570   8.450
   58   1HG   GLU  10          HG2       GLU  10 -13.720  11.587   8.362
   59   2HG   GLU  10          HG1       GLU  10 -13.576  11.851   6.624
   60    H    ASN  11           H        ASN  11 -15.286   9.198   5.496
   61    HA   ASN  11           HA       ASN  11 -14.334  10.754   3.155
   62   1HB   ASN  11          HB2       ASN  11 -12.932   8.956   4.364
   63   2HB   ASN  11          HB1       ASN  11 -13.997   7.785   3.588
   64   1HD2  ASN  11          1HD2      ASN  11 -11.076   8.277   3.063
   65   2HD2  ASN  11          2HD2      ASN  11 -10.972   8.651   1.411
   66    HA   PRO  12           HA       PRO  12 -18.079   9.414   1.115
   67   1HB   PRO  12          HB2       PRO  12 -17.558  10.715  -1.254
   68   2HB   PRO  12          HB1       PRO  12 -18.212  11.520   0.184
   69   1HG   PRO  12          HG2       PRO  12 -15.442  11.620  -0.930
   70   2HG   PRO  12          HG1       PRO  12 -16.312  12.831   0.026
   71   1HD   PRO  12          HD2       PRO  12 -14.342  11.075   1.017
   72   2HD   PRO  12          HD1       PRO  12 -15.489  12.006   2.004
   73    H    CYS  13           H        CYS  13 -14.888   8.558   0.521
   74    HA   CYS  13           HA       CYS  13 -15.348   7.044  -1.953
   75   1HB   CYS  13          HB2       CYS  13 -13.108   8.102  -0.668
   76   2HB   CYS  13          HB1       CYS  13 -12.950   6.361  -0.442
   77    H    CYS  14           H        CYS  14 -16.172   6.572   1.241
   78    HA   CYS  14           HA       CYS  14 -16.333   3.655   0.773
   79   1HB   CYS  14          HB2       CYS  14 -15.348   3.065   2.863
   80   2HB   CYS  14          HB1       CYS  14 -14.244   4.216   2.113
   81    H    ASP  15           H        ASP  15 -18.212   2.809   1.404
   82    HA   ASP  15           HA       ASP  15 -20.334   4.490   2.381
   83   1HB   ASP  15          HB2       ASP  15 -20.347   2.209   1.013
   84   2HB   ASP  15          HB1       ASP  15 -20.435   1.507   2.625
   85    H    ALA  16           H        ALA  16 -20.377   5.213   4.465
   86    HA   ALA  16           HA       ALA  16 -18.847   4.133   6.601
   87   1HB   ALA  16          HB1       ALA  16 -19.914   6.430   6.514
   88   2HB   ALA  16          HB2       ALA  16 -20.117   5.582   8.047
   89   3HB   ALA  16          HB3       ALA  16 -21.451   5.654   6.895
   90    H    ALA  17           H        ALA  17 -22.141   3.426   5.508
   91    HA   ALA  17           HA       ALA  17 -23.071   1.934   7.706
   92   1HB   ALA  17          HB1       ALA  17 -23.909   0.530   5.408
   93   2HB   ALA  17          HB2       ALA  17 -23.756   2.214   4.908
   94   3HB   ALA  17          HB3       ALA  17 -24.798   1.788   6.267
   95    H    THR  18           H        THR  18 -21.586   0.504   4.770
   96    HA   THR  18           HA       THR  18 -20.949  -1.932   6.283
   97    HB   THR  18           HB       THR  18 -21.659  -2.211   3.982
   98    HG1  THR  18           HG1      THR  18 -19.792  -3.291   3.179
   99   1HG2  THR  18          1HG2      THR  18 -19.830   0.043   3.585
  100   2HG2  THR  18          2HG2      THR  18 -21.215  -0.465   2.617
  101   3HG2  THR  18          3HG2      THR  18 -19.642  -1.225   2.374
  102    H    CYS  19           H        CYS  19 -19.436   1.063   5.655
  103    HA   CYS  19           HA       CYS  19 -17.310   1.817   6.399
  104   1HB   CYS  19          HB2       CYS  19 -17.690  -0.202   8.072
  105   2HB   CYS  19          HB1       CYS  19 -16.499  -0.983   7.062
  106    H    LYS  20           H        LYS  20 -17.980   0.130   3.774
  107    HA   LYS  20           HA       LYS  20 -15.120  -0.362   3.078
  108   1HB   LYS  20          HB2       LYS  20 -17.685  -1.622   2.232
  109   2HB   LYS  20          HB1       LYS  20 -16.337  -1.618   1.092
  110   1HG   LYS  20          HG2       LYS  20 -15.567  -2.353   3.826
  111   2HG   LYS  20          HG1       LYS  20 -16.718  -3.472   3.096
  112   1HD   LYS  20          HD2       LYS  20 -14.967  -3.020   1.021
  113   2HD   LYS  20          HD1       LYS  20 -13.896  -2.988   2.421
  114   1HE   LYS  20          HE2       LYS  20 -13.917  -5.261   2.062
  115   2HE   LYS  20          HE1       LYS  20 -15.350  -5.142   3.083
  116   1HZ   LYS  20          HZ1       LYS  20 -16.752  -5.170   1.212
  117   2HZ   LYS  20          HZ2       LYS  20 -15.619  -6.408   0.946
  118   3HZ   LYS  20          HZ3       LYS  20 -15.467  -4.924   0.133
  119    H    LEU  21           H        LEU  21 -15.001  -0.236   0.439
  120    HA   LEU  21           HA       LEU  21 -15.137   2.565  -0.139
  121   1HB   LEU  21          HB2       LEU  21 -14.563   0.115  -1.763
  122   2HB   LEU  21          HB1       LEU  21 -14.794   1.665  -2.572
  123    HG   LEU  21           HG       LEU  21 -13.014   1.720  -0.207
  124   1HD1  LEU  21          1HD1      LEU  21 -11.921   0.622  -2.791
  125   2HD1  LEU  21          2HD1      LEU  21 -12.523  -0.457  -1.537
  126   3HD1  LEU  21          3HD1      LEU  21 -11.175   0.626  -1.198
  127   1HD2  LEU  21          1HD2      LEU  21 -13.613   3.291  -2.480
  128   2HD2  LEU  21          2HD2      LEU  21 -11.942   2.761  -2.666
  129   3HD2  LEU  21          3HD2      LEU  21 -12.432   3.636  -1.216
  130    H    ARG  22           H        ARG  22 -16.587   3.714  -1.438
  131    HA   ARG  22           HA       ARG  22 -19.245   2.441  -1.728
  132   1HB   ARG  22          HB2       ARG  22 -18.435   4.995  -0.931
  133   2HB   ARG  22          HB1       ARG  22 -19.115   5.228  -2.543
  134   1HG   ARG  22          HG2       ARG  22 -20.855   3.430  -1.265
  135   2HG   ARG  22          HG1       ARG  22 -20.487   4.660  -0.056
  136   1HD   ARG  22          HD2       ARG  22 -21.324   6.403  -1.388
  137   2HD   ARG  22          HD1       ARG  22 -21.188   5.459  -2.872
  138    HE   ARG  22           HE       ARG  22 -23.280   4.449  -2.374
  139   1HH1  ARG  22          1HH2      ARG  22 -22.796   7.119  -0.454
  140   2HH1  ARG  22          2HH2      ARG  22 -23.895   6.655   0.802
  141   1HH2  ARG  22          1HH1      ARG  22 -24.367   3.449  -0.436
  142   2HH2  ARG  22          2HH1      ARG  22 -24.783   4.575   0.813
  143    HA   PRO  23           HA       PRO  23 -18.461   3.882  -6.176
  144   1HB   PRO  23          HB2       PRO  23 -16.102   5.154  -6.767
  145   2HB   PRO  23          HB1       PRO  23 -17.561   6.001  -6.227
  146   1HG   PRO  23          HG2       PRO  23 -15.056   5.456  -4.726
  147   2HG   PRO  23          HG1       PRO  23 -16.274   6.712  -4.456
  148   1HD   PRO  23          HD2       PRO  23 -15.976   4.278  -3.001
  149   2HD   PRO  23          HD1       PRO  23 -17.300   5.450  -2.853
  150    H    GLY  24           H        GLY  24 -16.296   3.620  -7.922
  151   1HA   GLY  24          HA2       GLY  24 -15.560   0.799  -7.469
  152   2HA   GLY  24          HA1       GLY  24 -15.295   1.712  -8.956
  153    H    ALA  25           H        ALA  25 -14.393   3.337  -6.089
  154    HA   ALA  25           HA       ALA  25 -11.634   3.510  -6.858
  155   1HB   ALA  25          HB1       ALA  25 -11.599   4.257  -4.253
  156   2HB   ALA  25          HB2       ALA  25 -13.324   4.406  -4.581
  157   3HB   ALA  25          HB3       ALA  25 -12.163   5.318  -5.544
  158    H    GLN  26           H        GLN  26  -9.801   2.507  -5.867
  159    HA   GLN  26           HA       GLN  26 -10.327  -0.195  -4.862
  160   1HB   GLN  26          HB2       GLN  26  -8.087   1.258  -6.011
  161   2HB   GLN  26          HB1       GLN  26  -7.591   0.369  -4.571
  162   1HG   GLN  26          HG2       GLN  26  -7.341  -1.162  -6.383
  163   2HG   GLN  26          HG1       GLN  26  -8.828  -1.638  -5.561
  164   1HE2  GLN  26          1HE2      GLN  26  -7.678   0.345  -8.335
  165   2HE2  GLN  26          2HE2      GLN  26  -9.082   0.131  -9.264
  166    H    CYS  27           H        CYS  27  -9.458   2.924  -3.568
  167    HA   CYS  27           HA       CYS  27  -9.754   1.851  -0.835
  168   1HB   CYS  27          HB2       CYS  27  -7.615   3.172  -0.203
  169   2HB   CYS  27          HB1       CYS  27  -7.393   1.612  -0.993
  170    H    GLY  28           H        GLY  28  -9.660   3.751   0.763
  171   1HA   GLY  28          HA2       GLY  28 -10.996   6.096  -0.501
  172   2HA   GLY  28          HA1       GLY  28 -11.235   5.592   1.170
  173    H    GLU  29           H        GLU  29  -8.553   5.142   1.865
  174    HA   GLU  29           HA       GLU  29  -7.122   7.665   1.303
  175   1HB   GLU  29          HB2       GLU  29  -7.013   8.368   3.563
  176   2HB   GLU  29          HB1       GLU  29  -8.703   7.962   3.300
  177   1HG   GLU  29          HG2       GLU  29  -8.581   6.517   5.016
  178   2HG   GLU  29          HG1       GLU  29  -7.435   5.560   4.079
  179    H    GLY  30           H        GLY  30  -4.900   7.580   2.481
  180   1HA   GLY  30          HA2       GLY  30  -3.606   5.525   3.660
  181   2HA   GLY  30          HA1       GLY  30  -3.797   4.878   2.031
  182    H    LEU  31           H        LEU  31  -1.257   5.108   2.651
  183    HA   LEU  31           HA       LEU  31  -0.216   7.789   2.037
  184   1HB   LEU  31          HB2       LEU  31   0.845   5.295   3.140
  185   2HB   LEU  31          HB1       LEU  31   1.927   6.024   1.963
  186    HG   LEU  31           HG       LEU  31   0.679   7.546   4.263
  187   1HD1  LEU  31          1HD1      LEU  31   3.154   7.458   5.065
  188   2HD1  LEU  31          2HD1      LEU  31   3.287   6.060   4.000
  189   3HD1  LEU  31          3HD1      LEU  31   2.137   6.043   5.336
  190   1HD2  LEU  31          1HD2      LEU  31   1.302   9.177   2.743
  191   2HD2  LEU  31          2HD2      LEU  31   2.562   8.173   2.024
  192   3HD2  LEU  31          3HD2      LEU  31   2.838   8.959   3.579
  193    H    CYS  32           H        CYS  32  -0.688   4.698   0.426
  194    HA   CYS  32           HA       CYS  32   0.543   5.884  -2.026
  195   1HB   CYS  32          HB2       CYS  32   0.257   2.997  -1.160
  196   2HB   CYS  32          HB1       CYS  32   0.793   3.487  -2.769
  197    H    CYS  33           H        CYS  33  -2.113   6.534  -1.348
  198    HA   CYS  33           HA       CYS  33  -3.579   5.057  -3.497
  199   1HB   CYS  33          HB2       CYS  33  -4.400   5.679  -0.704
  200   2HB   CYS  33          HB1       CYS  33  -5.624   5.915  -1.951
  201    H    GLU  34           H        GLU  34  -3.458   6.564  -5.133
  202    HA   GLU  34           HA       GLU  34  -4.071   9.401  -4.477
  203   1HB   GLU  34          HB2       GLU  34  -2.582   8.028  -6.687
  204   2HB   GLU  34          HB1       GLU  34  -3.344   9.583  -7.022
  205   1HG   GLU  34          HG2       GLU  34  -2.125  10.014  -4.578
  206   2HG   GLU  34          HG1       GLU  34  -0.966   8.982  -5.416
  207    H    GLN  35           H        GLN  35  -5.976  10.282  -5.176
  208    HA   GLN  35           HA       GLN  35  -8.101  10.383  -6.150
  209   1HB   GLN  35          HB2       GLN  35  -6.323   9.420  -8.172
  210   2HB   GLN  35          HB1       GLN  35  -7.837   8.525  -8.305
  211   1HG   GLN  35          HG2       GLN  35  -8.573  11.203  -7.817
  212   2HG   GLN  35          HG1       GLN  35  -7.288  11.269  -9.024
  213   1HE2  GLN  35          1HE2      GLN  35  -8.647  11.709 -10.853
  214   2HE2  GLN  35          2HE2      GLN  35  -9.794  10.600 -11.429
  215    H    CYS  36           H        CYS  36  -7.426   8.346  -4.146
  216    HA   CYS  36           HA       CYS  36  -8.493   6.517  -3.134
  217   1HB   CYS  36          HB2       CYS  36 -10.493   7.545  -5.081
  218   2HB   CYS  36          HB1       CYS  36 -10.733   5.902  -4.495
  219    H    LYS  37           H        LYS  37  -6.595   6.234  -5.451
  220    HA   LYS  37           HA       LYS  37  -7.450   3.488  -6.271
  221   1HB   LYS  37          HB2       LYS  37  -7.353   5.425  -8.066
  222   2HB   LYS  37          HB1       LYS  37  -5.615   5.125  -7.990
  223   1HG   LYS  37          HG2       LYS  37  -5.845   2.892  -8.720
  224   2HG   LYS  37          HG1       LYS  37  -7.568   2.854  -8.341
  225   1HD   LYS  37          HD2       LYS  37  -7.355   4.956 -10.145
  226   2HD   LYS  37          HD1       LYS  37  -6.226   3.759 -10.776
  227   1HE   LYS  37          HE2       LYS  37  -8.221   3.070 -11.764
  228   2HE   LYS  37          HE1       LYS  37  -8.196   2.077 -10.307
  229   1HZ   LYS  37          HZ1       LYS  37  -9.652   3.585  -9.217
  230   2HZ   LYS  37          HZ2       LYS  37 -10.339   3.231 -10.730
  231   3HZ   LYS  37          HZ3       LYS  37  -9.547   4.713 -10.480
  232    H    PHE  38           H        PHE  38  -5.720   1.942  -6.445
  233    HA   PHE  38           HA       PHE  38  -3.649   2.281  -4.471
  234   1HB   PHE  38          HB2       PHE  38  -4.259   0.210  -6.563
  235   2HB   PHE  38          HB1       PHE  38  -2.719   0.168  -5.719
  236    HD1  PHE  38           HD1      PHE  38  -3.386   1.049  -3.018
  237    HD2  PHE  38           HD2      PHE  38  -5.575  -1.515  -5.680
  238    HE1  PHE  38           HE1      PHE  38  -4.475  -0.041  -1.075
  239    HE2  PHE  38           HE2      PHE  38  -6.665  -2.603  -3.737
  240    HZ   PHE  38           HZ       PHE  38  -6.115  -1.866  -1.435
  241    H    SER  39           H        SER  39  -1.630   3.140  -4.726
  242    HA   SER  39           HA       SER  39  -0.899   4.398  -7.227
  243   1HB   SER  39          HB2       SER  39   0.945   3.763  -4.900
  244   2HB   SER  39          HB1       SER  39   1.146   5.028  -6.109
  245    HG   SER  39           HG       SER  39  -0.452   6.172  -5.196
  246    H    ARG  40           H        ARG  40   2.008   3.383  -6.840
  247    HA   ARG  40           HA       ARG  40   1.564   0.735  -8.154
  248   1HB   ARG  40          HB2       ARG  40   2.770   3.070  -9.244
  249   2HB   ARG  40          HB1       ARG  40   4.063   1.902  -8.965
  250   1HG   ARG  40          HG2       ARG  40   2.590   0.173 -10.112
  251   2HG   ARG  40          HG1       ARG  40   1.541   1.508 -10.592
  252   1HD   ARG  40          HD2       ARG  40   3.650   2.609 -11.557
  253   2HD   ARG  40          HD1       ARG  40   4.425   1.037 -11.361
  254    HE   ARG  40           HE       ARG  40   3.272   0.351 -13.289
  255   1HH1  ARG  40          1HH1      ARG  40   2.719   3.124 -14.164
  256   2HH1  ARG  40          2HH1      ARG  40   0.991   3.152 -14.278
  257   1HH2  ARG  40          1HH2      ARG  40   0.551   0.287 -12.375
  258   2HH2  ARG  40          2HH2      ARG  40  -0.235   1.547 -13.267
  259    H    ALA  41           H        ALA  41   3.484  -0.726  -7.929
  260    HA   ALA  41           HA       ALA  41   4.382  -0.787  -5.184
  261   1HB   ALA  41          HB1       ALA  41   5.643  -2.392  -7.402
  262   2HB   ALA  41          HB2       ALA  41   4.015  -2.767  -6.838
  263   3HB   ALA  41          HB3       ALA  41   5.377  -2.853  -5.722
  264    H    GLY  42           H        GLY  42   6.762  -0.871  -4.621
  265   1HA   GLY  42          HA2       GLY  42   8.931   0.050  -4.702
  266   2HA   GLY  42          HA1       GLY  42   8.674   0.353  -6.423
  267    H    LYS  43           H        LYS  43   6.285   1.530  -4.208
  268    HA   LYS  43           HA       LYS  43   7.080   4.313  -4.888
  269   1HB   LYS  43          HB2       LYS  43   4.774   4.038  -5.243
  270   2HB   LYS  43          HB1       LYS  43   4.580   3.017  -3.825
  271   1HG   LYS  43          HG2       LYS  43   3.606   5.150  -3.284
  272   2HG   LYS  43          HG1       LYS  43   5.124   5.053  -2.407
  273   1HD   LYS  43          HD2       LYS  43   5.020   7.238  -3.429
  274   2HD   LYS  43          HD1       LYS  43   6.215   6.293  -4.317
  275   1HE   LYS  43          HE2       LYS  43   3.714   5.760  -5.532
  276   2HE   LYS  43          HE1       LYS  43   3.795   7.506  -5.299
  277   1HZ   LYS  43          HZ1       LYS  43   4.995   6.099  -7.298
  278   2HZ   LYS  43          HZ2       LYS  43   6.269   6.411  -6.220
  279   3HZ   LYS  43          HZ3       LYS  43   5.353   7.695  -6.852
  280    H    ILE  44           H        ILE  44   8.398   5.344  -3.466
  281    HA   ILE  44           HA       ILE  44   9.011   4.353  -0.859
  282    HB   ILE  44           HB       ILE  44  10.582   5.799  -1.988
  283   1HG1  ILE  44          2HG1      ILE  44  10.832   7.629  -0.244
  284   2HG1  ILE  44          1HG1      ILE  44   9.306   7.077   0.445
  285   1HG2  ILE  44          1HG2      ILE  44   9.376   8.359  -1.791
  286   2HG2  ILE  44          2HG2      ILE  44   8.194   7.299  -2.560
  287   3HG2  ILE  44          3HG2      ILE  44   9.802   7.481  -3.261
  288   1HD1  ILE  44          1HD1      ILE  44  10.211   4.901   0.921
  289   2HD1  ILE  44          2HD1      ILE  44  11.378   6.082   1.517
  290   3HD1  ILE  44          3HD1      ILE  44  11.672   5.242  -0.006
  291    H    CYS  45           H        CYS  45   7.047   4.046   0.259
  292    HA   CYS  45           HA       CYS  45   5.218   6.304   0.739
  293   1HB   CYS  45          HB2       CYS  45   4.148   4.662   2.320
  294   2HB   CYS  45          HB1       CYS  45   4.205   4.136   0.644
  295    H    ARG  46           H        ARG  46   7.827   4.629   2.369
  296    HA   ARG  46           HA       ARG  46   7.618   6.641   4.578
  297   1HB   ARG  46          HB2       ARG  46   7.003   4.222   5.177
  298   2HB   ARG  46          HB1       ARG  46   8.706   3.843   4.925
  299   1HG   ARG  46          HG2       ARG  46   8.876   4.383   7.138
  300   2HG   ARG  46          HG1       ARG  46   8.936   6.033   6.515
  301   1HD   ARG  46          HD2       ARG  46   6.589   6.354   6.898
  302   2HD   ARG  46          HD1       ARG  46   6.347   4.641   7.235
  303    HE   ARG  46           HE       ARG  46   7.406   6.627   9.106
  304   1HH1  ARG  46          1HH1      ARG  46   5.512   4.440   9.865
  305   2HH1  ARG  46          2HH1      ARG  46   6.544   3.340  10.717
  306   1HH2  ARG  46          1HH2      ARG  46   9.477   4.729   9.492
  307   2HH2  ARG  46          2HH2      ARG  46   8.790   3.503  10.505
  308    H    ILE  47           H        ILE  47   9.489   7.736   5.026
  309    HA   ILE  47           HA       ILE  47  11.867   7.067   3.376
  310    HB   ILE  47           HB       ILE  47  12.672   9.325   4.289
  311   1HG1  ILE  47          2HG1      ILE  47   9.749   9.619   5.018
  312   2HG1  ILE  47          1HG1      ILE  47  10.997   9.240   6.207
  313   1HG2  ILE  47          1HG2      ILE  47  11.296   8.724   2.075
  314   2HG2  ILE  47          2HG2      ILE  47  11.705  10.388   2.493
  315   3HG2  ILE  47          3HG2      ILE  47  10.097   9.758   2.850
  316   1HD1  ILE  47          1HD1      ILE  47  12.188  11.297   5.682
  317   2HD1  ILE  47          2HD1      ILE  47  10.510  11.690   6.054
  318   3HD1  ILE  47          3HD1      ILE  47  11.057  11.659   4.378
  319    H    ALA  48           H        ALA  48  14.007   7.633   4.631
  320    HA   ALA  48           HA       ALA  48  13.841   6.344   7.326
  321   1HB   ALA  48          HB1       ALA  48  15.235   5.473   5.039
  322   2HB   ALA  48          HB2       ALA  48  15.420   4.867   6.684
  323   3HB   ALA  48          HB3       ALA  48  16.462   6.164   6.100
  324    H    ARG  49           H        ARG  49  13.524   8.738   7.869
  325    HA   ARG  49           HA       ARG  49  15.826  10.494   7.567
  326   1HB   ARG  49          HB2       ARG  49  14.180  11.360   9.761
  327   2HB   ARG  49          HB1       ARG  49  14.380  12.103   8.179
  328   1HG   ARG  49          HG2       ARG  49  12.080  11.663   8.265
  329   2HG   ARG  49          HG1       ARG  49  12.702  10.279   7.368
  330   1HD   ARG  49          HD2       ARG  49  12.833   9.022   9.556
  331   2HD   ARG  49          HD1       ARG  49  12.013  10.383  10.319
  332    HE   ARG  49           HE       ARG  49  10.402   9.649   8.142
  333   1HH1  ARG  49          1HH1      ARG  49  10.615   9.211  11.411
  334   2HH1  ARG  49          2HH1      ARG  49   9.752   7.710  11.470
  335   1HH2  ARG  49          1HH2      ARG  49   9.738   7.279   8.028
  336   2HH2  ARG  49          2HH2      ARG  49   9.257   6.615   9.554
  337    H    GLY  50           H        GLY  50  17.176   8.556   8.511
  338   1HA   GLY  50          HA2       GLY  50  18.322   9.333  10.949
  339   2HA   GLY  50          HA1       GLY  50  17.108   8.121  11.360
  340    H    ASP  51           H        ASP  51  18.409   6.365  11.850
  341    HA   ASP  51           HA       ASP  51  20.501   5.589   9.876
  342   1HB   ASP  51          HB2       ASP  51  21.299   5.682  12.165
  343   2HB   ASP  51          HB1       ASP  51  19.960   4.674  12.715
  344    H    MET  52           H        MET  52  18.657   4.923   8.419
  345    HA   MET  52           HA       MET  52  18.249   2.064   8.600
  346   1HB   MET  52          HB2       MET  52  15.622   2.498   8.498
  347   2HB   MET  52          HB1       MET  52  16.454   2.312  10.042
  348   1HG   MET  52          HG2       MET  52  16.511   4.660  10.417
  349   2HG   MET  52          HG1       MET  52  16.096   5.014   8.739
  350   1HE   MET  52          HE1       MET  52  13.298   6.464  10.641
  351   2HE   MET  52          HE2       MET  52  15.059   6.436  10.717
  352   3HE   MET  52          HE3       MET  52  14.117   5.660  11.987
  353    HA   PRO  53           HA       PRO  53  17.622   2.668   4.303
  354   1HB   PRO  53          HB2       PRO  53  16.114   0.449   3.702
  355   2HB   PRO  53          HB1       PRO  53  17.850   0.390   4.056
  356   1HG   PRO  53          HG2       PRO  53  15.553  -0.429   5.776
  357   2HG   PRO  53          HG1       PRO  53  17.224  -1.018   5.780
  358   1HD   PRO  53          HD2       PRO  53  16.115   0.822   7.620
  359   2HD   PRO  53          HD1       PRO  53  17.847   0.487   7.394
  360    H    ASP  54           H        ASP  54  15.548   2.216   2.632
  361    HA   ASP  54           HA       ASP  54  13.333   3.837   3.814
  362   1HB   ASP  54          HB2       ASP  54  13.812   3.518   0.859
  363   2HB   ASP  54          HB1       ASP  54  13.008   4.836   1.713
  364    H    ASP  55           H        ASP  55  11.169   3.386   2.594
  365    HA   ASP  55           HA       ASP  55  10.923   0.461   2.024
  366   1HB   ASP  55          HB2       ASP  55  10.056   1.541   4.361
  367   2HB   ASP  55          HB1       ASP  55   8.625   1.783   3.355
  368    H    ARG  56           H        ARG  56   9.457  -0.045   0.366
  369    HA   ARG  56           HA       ARG  56   8.139   2.303  -0.924
  370   1HB   ARG  56          HB2       ARG  56   9.765   0.077  -2.086
  371   2HB   ARG  56          HB1       ARG  56   8.454   0.760  -3.050
  372   1HG   ARG  56          HG2       ARG  56   9.560   2.713  -3.392
  373   2HG   ARG  56          HG1       ARG  56  10.146   2.777  -1.730
  374   1HD   ARG  56          HD2       ARG  56  11.306   0.659  -3.467
  375   2HD   ARG  56          HD1       ARG  56  11.783   2.319  -3.821
  376    HE   ARG  56           HE       ARG  56  12.097   1.143  -1.087
  377   1HH1  ARG  56          1HH1      ARG  56  12.710   3.870  -2.888
  378   2HH1  ARG  56          2HH1      ARG  56  14.412   3.928  -2.576
  379   1HH2  ARG  56          1HH2      ARG  56  14.512   0.805  -1.071
  380   2HH2  ARG  56          2HH2      ARG  56  15.433   2.192  -1.548
  381    H    CYS  57           H        CYS  57   5.995   2.028  -1.548
  382    HA   CYS  57           HA       CYS  57   4.441  -0.054  -0.353
  383   1HB   CYS  57          HB2       CYS  57   3.890   1.977  -2.501
  384   2HB   CYS  57          HB1       CYS  57   2.710   0.719  -2.160
  385    H    THR  58           H        THR  58   3.171  -1.699  -1.501
  386    HA   THR  58           HA       THR  58   4.771  -2.993  -3.631
  387    HB   THR  58           HB       THR  58   3.734  -5.008  -3.025
  388    HG1  THR  58           HG1      THR  58   1.712  -5.118  -2.336
  389   1HG2  THR  58          1HG2      THR  58   3.263  -4.065  -0.323
  390   2HG2  THR  58          2HG2      THR  58   4.738  -3.361  -0.986
  391   3HG2  THR  58          3HG2      THR  58   4.546  -5.113  -0.927
  392    H    GLY  59           H        GLY  59   2.655  -0.662  -3.754
  393   1HA   GLY  59          HA2       GLY  59   1.364   0.080  -5.594
  394   2HA   GLY  59          HA1       GLY  59   1.588  -1.500  -6.346
  395    H    GLN  60           H        GLN  60   0.512  -3.281  -4.672
  396    HA   GLN  60           HA       GLN  60  -2.340  -2.677  -4.810
  397   1HB   GLN  60          HB2       GLN  60  -0.910  -5.078  -3.625
  398   2HB   GLN  60          HB1       GLN  60  -2.632  -4.976  -3.994
  399   1HG   GLN  60          HG2       GLN  60  -1.516  -4.230  -6.386
  400   2HG   GLN  60          HG1       GLN  60  -0.349  -5.418  -5.805
  401   1HE2  GLN  60          1HE2      GLN  60  -0.863  -7.459  -6.598
  402   2HE2  GLN  60          2HE2      GLN  60  -2.436  -8.067  -6.784
  403    H    SER  61           H        SER  61  -0.073  -1.729  -2.635
  404    HA   SER  61           HA       SER  61  -1.874  -2.120  -0.281
  405   1HB   SER  61          HB2       SER  61   0.981  -1.120  -0.278
  406   2HB   SER  61          HB1       SER  61   0.037  -1.662   1.106
  407    HG   SER  61           HG       SER  61   1.572  -3.104  -0.467
  408    H    ALA  62           H        ALA  62  -2.943  -0.388   0.565
  409    HA   ALA  62           HA       ALA  62  -2.638   2.232  -0.742
  410   1HB   ALA  62          HB1       ALA  62  -4.900   1.579  -0.266
  411   2HB   ALA  62          HB2       ALA  62  -4.503   2.857   0.882
  412   3HB   ALA  62          HB3       ALA  62  -4.497   1.172   1.403
  413    H    ASP  63           H        ASP  63  -2.489   1.009   2.624
  414    HA   ASP  63           HA       ASP  63  -1.172   3.468   3.516
  415   1HB   ASP  63          HB2       ASP  63  -1.683   0.840   4.941
  416   2HB   ASP  63          HB1       ASP  63  -1.026   2.291   5.701
  417    H    CYS  64           H        CYS  64   0.851   2.736   5.133
  418    HA   CYS  64           HA       CYS  64   2.671   1.106   3.424
  419   1HB   CYS  64          HB2       CYS  64   3.151   3.430   2.986
  420   2HB   CYS  64          HB1       CYS  64   3.272   3.782   4.706
  421    HA   PRO  65           HA       PRO  65   3.229  -0.771   7.400
  422   1HB   PRO  65          HB2       PRO  65   4.469  -2.973   6.352
  423   2HB   PRO  65          HB1       PRO  65   2.716  -2.777   6.386
  424   1HG   PRO  65          HG2       PRO  65   4.594  -2.617   4.093
  425   2HG   PRO  65          HG1       PRO  65   2.854  -2.949   4.095
  426   1HD   PRO  65          HD2       PRO  65   4.111  -0.481   3.443
  427   2HD   PRO  65          HD1       PRO  65   2.371  -0.762   3.655
  428    H    ARG  66           H        ARG  66   5.456  -2.280   7.972
  429    HA   ARG  66           HA       ARG  66   7.767  -0.489   7.341
  430   1HB   ARG  66          HB2       ARG  66   6.540  -0.862   9.859
  431   2HB   ARG  66          HB1       ARG  66   8.048  -1.775   9.916
  432   1HG   ARG  66          HG2       ARG  66   9.132   0.341   8.885
  433   2HG   ARG  66          HG1       ARG  66   7.657   1.169   9.386
  434   1HD   ARG  66          HD2       ARG  66   8.142   0.975  11.625
  435   2HD   ARG  66          HD1       ARG  66   8.971  -0.567  11.417
  436    HE   ARG  66           HE       ARG  66  10.261   1.963  10.495
  437   1HH1  ARG  66          1HH2      ARG  66  11.176  -1.097  10.697
  438   2HH1  ARG  66          2HH2      ARG  66  12.382  -0.921  11.928
  439   1HH2  ARG  66          1HH1      ARG  66  11.395   2.283  12.808
  440   2HH2  ARG  66          2HH1      ARG  66  12.505   0.991  13.123
  441    H    TYR  67           H        TYR  67   9.803  -1.891   8.477
  442    HA   TYR  67           HA       TYR  67  10.056  -4.170   6.697
  443   1HB   TYR  67          HB2       TYR  67  11.781  -2.683   8.567
  444   2HB   TYR  67          HB1       TYR  67  12.146  -4.406   8.465
  445    HD1  TYR  67           HD2      TYR  67  12.283  -5.419   6.055
  446    HD2  TYR  67           HD1      TYR  67  12.603  -1.226   6.927
  447    HE1  TYR  67           HE2      TYR  67  13.411  -5.051   3.876
  448    HE2  TYR  67           HE1      TYR  67  13.730  -0.858   4.750
  449    HH   TYR  67           HH       TYR  67  15.017  -2.139   3.109
  450    H    HIS  68           H        HIS  68   7.898  -4.929   7.960
  451    HA   HIS  68           HA       HIS  68   8.167  -6.193  10.504
  452   1HB   HIS  68          HB2       HIS  68   5.972  -5.769   9.511
  453   2HB   HIS  68          HB1       HIS  68   6.340  -6.865   8.178
  454    HD1  HIS  68           HD1      HIS  68   5.227  -9.060   8.515
  455    HD2  HIS  68           HD2      HIS  68   6.457  -7.409  12.140
  456    HE1  HIS  68           HE1      HIS  68   4.605 -10.733  10.313
  Start of MODEL    6
    1   1H    GLY   1          HT1       GLY   1 -15.454  -7.284  10.745
    2   2H    GLY   1          HT2       GLY   1 -14.819  -7.424  12.315
    3   3H    GLY   1          HT3       GLY   1 -15.865  -8.618  11.709
    4   1HA   GLY   1          HA1       GLY   1 -13.208  -8.844  11.709
    5   2HA   GLY   1          HA2       GLY   1 -14.265  -9.662  10.557
    6    H    LYS   2           H        LYS   2 -12.966  -9.551   8.724
    7    HA   LYS   2           HA       LYS   2 -11.750  -6.973   7.959
    8   1HB   LYS   2          HB2       LYS   2 -11.736  -9.697   6.624
    9   2HB   LYS   2          HB1       LYS   2 -10.855  -8.290   6.030
   10   1HG   LYS   2          HG2       LYS   2 -10.412  -8.875   8.885
   11   2HG   LYS   2          HG1       LYS   2  -9.829 -10.128   7.790
   12   1HD   LYS   2          HD2       LYS   2  -8.650  -8.340   6.476
   13   2HD   LYS   2          HD1       LYS   2  -9.114  -7.184   7.724
   14   1HE   LYS   2          HE2       LYS   2  -7.211  -7.775   8.790
   15   2HE   LYS   2          HE1       LYS   2  -8.027  -9.292   9.172
   16   1HZ   LYS   2          HZ1       LYS   2  -6.354 -10.213   8.041
   17   2HZ   LYS   2          HZ2       LYS   2  -5.924  -8.759   7.272
   18   3HZ   LYS   2          HZ3       LYS   2  -7.187  -9.710   6.651
   19    H    GLU   3           H        GLU   3 -14.042  -6.057   7.838
   20    HA   GLU   3           HA       GLU   3 -15.171  -6.571   5.111
   21   1HB   GLU   3          HB2       GLU   3 -16.603  -7.350   7.073
   22   2HB   GLU   3          HB1       GLU   3 -16.762  -5.650   7.515
   23   1HG   GLU   3          HG2       GLU   3 -18.569  -5.706   6.132
   24   2HG   GLU   3          HG1       GLU   3 -17.363  -5.545   4.856
   25    H    CYS   4           H        CYS   4 -13.350  -4.449   6.698
   26    HA   CYS   4           HA       CYS   4 -14.764  -2.093   5.530
   27   1HB   CYS   4          HB2       CYS   4 -12.798  -2.229   7.833
   28   2HB   CYS   4          HB1       CYS   4 -13.384  -0.726   7.125
   29    H    ASP   5           H        ASP   5 -13.603  -0.722   4.192
   30    HA   ASP   5           HA       ASP   5 -10.868  -1.659   3.416
   31   1HB   ASP   5          HB2       ASP   5 -13.261  -1.333   1.842
   32   2HB   ASP   5          HB1       ASP   5 -12.026  -0.209   1.276
   33    H    CYS   6           H        CYS   6 -12.608   0.818   4.824
   34    HA   CYS   6           HA       CYS   6 -10.543   2.831   4.023
   35   1HB   CYS   6          HB2       CYS   6 -12.293   4.546   4.402
   36   2HB   CYS   6          HB1       CYS   6 -12.766   3.407   3.142
   37    H    SER   7           H        SER   7 -10.377   4.602   5.783
   38    HA   SER   7           HA       SER   7 -10.459   3.277   8.461
   39   1HB   SER   7          HB2       SER   7  -8.449   4.919   7.082
   40   2HB   SER   7          HB1       SER   7  -8.787   5.461   8.724
   41    HG   SER   7           HG       SER   7  -8.429   3.291   9.400
   42    H    SER   8           H        SER   8 -11.157   6.269   6.674
   43    HA   SER   8           HA       SER   8 -12.441   7.386   9.114
   44   1HB   SER   8          HB2       SER   8 -12.296   8.865   6.513
   45   2HB   SER   8          HB1       SER   8 -12.219   9.490   8.158
   46    HG   SER   8           HG       SER   8 -10.234   8.095   6.693
   47    HA   PRO   9           HA       PRO   9 -16.218   5.912   7.168
   48   1HB   PRO   9          HB2       PRO   9 -17.763   6.250   9.414
   49   2HB   PRO   9          HB1       PRO   9 -16.719   4.842   9.144
   50   1HG   PRO   9          HG2       PRO   9 -16.313   7.156  10.977
   51   2HG   PRO   9          HG1       PRO   9 -15.682   5.506  11.097
   52   1HD   PRO   9          HD2       PRO   9 -14.244   7.782  10.207
   53   2HD   PRO   9          HD1       PRO   9 -13.730   6.089  10.050
   54    H    GLU  10           H        GLU  10 -15.337   8.677   6.774
   55    HA   GLU  10           HA       GLU  10 -17.994   9.941   6.582
   56   1HB   GLU  10          HB2       GLU  10 -17.184  10.746   8.754
   57   2HB   GLU  10          HB1       GLU  10 -15.657  11.240   8.022
   58   1HG   GLU  10          HG2       GLU  10 -16.619  13.033   6.893
   59   2HG   GLU  10          HG1       GLU  10 -18.222  12.296   6.880
   60    H    ASN  11           H        ASN  11 -15.597   8.874   4.953
   61    HA   ASN  11           HA       ASN  11 -15.110  11.340   3.345
   62   1HB   ASN  11          HB2       ASN  11 -13.112  10.192   2.495
   63   2HB   ASN  11          HB1       ASN  11 -13.082  10.220   4.254
   64   1HD2  ASN  11          1HD2      ASN  11 -11.515   8.279   3.491
   65   2HD2  ASN  11          2HD2      ASN  11 -12.252   6.750   3.483
   66    HA   PRO  12           HA       PRO  12 -17.472   9.550   0.103
   67   1HB   PRO  12          HB2       PRO  12 -16.363  10.914  -2.013
   68   2HB   PRO  12          HB1       PRO  12 -17.494  11.642  -0.860
   69   1HG   PRO  12          HG2       PRO  12 -14.541  12.008  -1.080
   70   2HG   PRO  12          HG1       PRO  12 -15.765  13.117  -0.438
   71   1HD   PRO  12          HD2       PRO  12 -14.028  11.506   1.106
   72   2HD   PRO  12          HD1       PRO  12 -15.478  12.342   1.703
   73    H    CYS  13           H        CYS  13 -14.313   8.797   0.645
   74    HA   CYS  13           HA       CYS  13 -13.917   7.266  -1.870
   75   1HB   CYS  13          HB2       CYS  13 -12.169   8.218   0.367
   76   2HB   CYS  13          HB1       CYS  13 -11.657   6.788  -0.519
   77    H    CYS  14           H        CYS  14 -15.421   6.839   1.029
   78    HA   CYS  14           HA       CYS  14 -14.808   3.914   1.061
   79   1HB   CYS  14          HB2       CYS  14 -13.941   5.005   3.061
   80   2HB   CYS  14          HB1       CYS  14 -15.501   5.767   3.348
   81    H    ASP  15           H        ASP  15 -16.641   2.559   1.795
   82    HA   ASP  15           HA       ASP  15 -19.254   3.769   0.997
   83   1HB   ASP  15          HB2       ASP  15 -18.579   1.825  -0.343
   84   2HB   ASP  15          HB1       ASP  15 -18.380   0.865   1.124
   85    H    ALA  16           H        ALA  16 -19.832   4.659   3.028
   86    HA   ALA  16           HA       ALA  16 -19.527   3.528   5.566
   87   1HB   ALA  16          HB1       ALA  16 -20.530   5.510   5.968
   88   2HB   ALA  16          HB2       ALA  16 -22.062   4.695   5.655
   89   3HB   ALA  16          HB3       ALA  16 -21.238   5.554   4.354
   90    H    ALA  17           H        ALA  17 -21.908   2.735   3.084
   91    HA   ALA  17           HA       ALA  17 -23.778   1.270   4.565
   92   1HB   ALA  17          HB1       ALA  17 -24.205  -0.006   2.531
   93   2HB   ALA  17          HB2       ALA  17 -22.635   0.458   1.875
   94   3HB   ALA  17          HB3       ALA  17 -23.892   1.675   2.099
   95    H    THR  18           H        THR  18 -20.694   0.074   3.202
   96    HA   THR  18           HA       THR  18 -20.818  -2.133   5.219
   97    HB   THR  18           HB       THR  18 -20.330  -3.718   3.647
   98    HG1  THR  18           HG1      THR  18 -18.802  -1.693   2.397
   99   1HG2  THR  18          1HG2      THR  18 -21.154  -3.099   1.343
  100   2HG2  THR  18          2HG2      THR  18 -21.313  -1.438   1.915
  101   3HG2  THR  18          3HG2      THR  18 -22.281  -2.718   2.645
  102    H    CYS  19           H        CYS  19 -19.495   0.585   5.156
  103    HA   CYS  19           HA       CYS  19 -17.388   1.553   5.528
  104   1HB   CYS  19          HB2       CYS  19 -16.229   0.611   7.383
  105   2HB   CYS  19          HB1       CYS  19 -17.927   0.229   7.639
  106    H    LYS  20           H        LYS  20 -17.605  -0.316   3.139
  107    HA   LYS  20           HA       LYS  20 -14.831  -1.337   3.014
  108   1HB   LYS  20          HB2       LYS  20 -17.280  -1.710   1.314
  109   2HB   LYS  20          HB1       LYS  20 -15.682  -2.082   0.666
  110   1HG   LYS  20          HG2       LYS  20 -15.300  -3.500   2.750
  111   2HG   LYS  20          HG1       LYS  20 -17.021  -3.310   3.088
  112   1HD   LYS  20          HD2       LYS  20 -16.871  -5.340   1.870
  113   2HD   LYS  20          HD1       LYS  20 -17.411  -4.148   0.686
  114   1HE   LYS  20          HE2       LYS  20 -15.423  -4.181  -0.457
  115   2HE   LYS  20          HE1       LYS  20 -14.470  -4.457   1.001
  116   1HZ   LYS  20          HZ1       LYS  20 -14.823  -6.345  -0.752
  117   2HZ   LYS  20          HZ2       LYS  20 -16.280  -6.574   0.093
  118   3HZ   LYS  20          HZ3       LYS  20 -14.794  -6.696   0.907
  119    H    LEU  21           H        LEU  21 -15.951  -0.413  -0.060
  120    HA   LEU  21           HA       LEU  21 -14.537   2.205   0.142
  121   1HB   LEU  21          HB2       LEU  21 -13.699  -0.179  -1.317
  122   2HB   LEU  21          HB1       LEU  21 -13.853   1.242  -2.350
  123    HG   LEU  21           HG       LEU  21 -12.532   1.771   0.231
  124   1HD1  LEU  21          1HD1      LEU  21 -10.563   0.575  -0.109
  125   2HD1  LEU  21          2HD1      LEU  21 -10.854   0.393  -1.838
  126   3HD1  LEU  21          3HD1      LEU  21 -11.752  -0.594  -0.684
  127   1HD2  LEU  21          1HD2      LEU  21 -12.756   2.818  -2.390
  128   2HD2  LEU  21          2HD2      LEU  21 -11.058   2.428  -2.132
  129   3HD2  LEU  21          3HD2      LEU  21 -11.893   3.512  -1.022
  130    H    ARG  22           H        ARG  22 -14.617   3.264  -2.086
  131    HA   ARG  22           HA       ARG  22 -17.428   3.199  -3.012
  132   1HB   ARG  22          HB2       ARG  22 -15.248   5.194  -2.959
  133   2HB   ARG  22          HB1       ARG  22 -16.159   5.163  -4.469
  134   1HG   ARG  22          HG2       ARG  22 -18.084   4.960  -2.424
  135   2HG   ARG  22          HG1       ARG  22 -16.955   6.206  -1.891
  136   1HD   ARG  22          HD2       ARG  22 -18.042   7.621  -3.273
  137   2HD   ARG  22          HD1       ARG  22 -17.310   6.733  -4.609
  138    HE   ARG  22           HE       ARG  22 -19.919   5.826  -3.479
  139   1HH1  ARG  22          1HH1      ARG  22 -18.749   7.948  -5.776
  140   2HH1  ARG  22          2HH1      ARG  22 -19.551   7.219  -7.127
  141   1HH2  ARG  22          1HH2      ARG  22 -20.607   4.440  -5.341
  142   2HH2  ARG  22          2HH2      ARG  22 -20.603   5.234  -6.881
  143    HA   PRO  23           HA       PRO  23 -16.351   0.821  -6.561
  144   1HB   PRO  23          HB2       PRO  23 -18.266   1.833  -8.280
  145   2HB   PRO  23          HB1       PRO  23 -18.593   0.631  -7.019
  146   1HG   PRO  23          HG2       PRO  23 -19.129   3.592  -6.987
  147   2HG   PRO  23          HG1       PRO  23 -20.080   2.272  -6.278
  148   1HD   PRO  23          HD2       PRO  23 -18.393   3.868  -4.765
  149   2HD   PRO  23          HD1       PRO  23 -18.785   2.192  -4.350
  150    H    GLY  24           H        GLY  24 -15.766   4.118  -6.312
  151   1HA   GLY  24          HA2       GLY  24 -14.605   4.223  -9.062
  152   2HA   GLY  24          HA1       GLY  24 -15.110   5.650  -8.157
  153    H    ALA  25           H        ALA  25 -13.470   3.036  -6.514
  154    HA   ALA  25           HA       ALA  25 -10.805   4.201  -6.781
  155   1HB   ALA  25          HB1       ALA  25 -11.039   4.342  -4.027
  156   2HB   ALA  25          HB2       ALA  25 -12.579   4.997  -4.583
  157   3HB   ALA  25          HB3       ALA  25 -11.065   5.724  -5.123
  158    H    GLN  26           H        GLN  26  -9.202   2.954  -5.494
  159    HA   GLN  26           HA       GLN  26 -10.172   0.168  -5.041
  160   1HB   GLN  26          HB2       GLN  26  -8.207   0.877  -6.681
  161   2HB   GLN  26          HB1       GLN  26  -7.263   0.867  -5.191
  162   1HG   GLN  26          HG2       GLN  26  -7.490  -1.408  -4.896
  163   2HG   GLN  26          HG1       GLN  26  -9.062  -1.459  -5.697
  164   1HE2  GLN  26          1HE2      GLN  26  -8.603  -0.400  -8.187
  165   2HE2  GLN  26          2HE2      GLN  26  -7.412  -1.281  -9.016
  166    H    CYS  27           H        CYS  27  -9.215   2.945  -3.381
  167    HA   CYS  27           HA       CYS  27  -9.026   1.420  -0.865
  168   1HB   CYS  27          HB2       CYS  27  -6.773   1.587  -0.733
  169   2HB   CYS  27          HB1       CYS  27  -6.713   2.553  -2.195
  170    H    GLY  28           H        GLY  28 -10.144   2.517   0.706
  171   1HA   GLY  28          HA2       GLY  28 -11.468   4.983   0.026
  172   2HA   GLY  28          HA1       GLY  28 -11.488   4.217   1.614
  173    H    GLU  29           H        GLU  29  -8.803   4.103   2.180
  174    HA   GLU  29           HA       GLU  29  -7.658   6.797   1.851
  175   1HB   GLU  29          HB2       GLU  29  -9.109   7.114   3.777
  176   2HB   GLU  29          HB1       GLU  29  -8.481   5.654   4.535
  177   1HG   GLU  29          HG2       GLU  29  -6.424   6.635   5.019
  178   2HG   GLU  29          HG1       GLU  29  -6.600   7.858   3.762
  179    H    GLY  30           H        GLY  30  -5.339   6.803   2.554
  180   1HA   GLY  30          HA2       GLY  30  -3.912   4.775   3.774
  181   2HA   GLY  30          HA1       GLY  30  -4.118   4.183   2.126
  182    H    LEU  31           H        LEU  31  -1.575   4.748   3.192
  183    HA   LEU  31           HA       LEU  31  -0.638   7.390   2.510
  184   1HB   LEU  31          HB2       LEU  31   0.562   4.804   3.311
  185   2HB   LEU  31          HB1       LEU  31   1.592   5.823   2.312
  186    HG   LEU  31           HG       LEU  31   0.262   6.605   4.917
  187   1HD1  LEU  31          1HD1      LEU  31   2.648   5.274   4.440
  188   2HD1  LEU  31          2HD1      LEU  31   2.256   6.180   5.901
  189   3HD1  LEU  31          3HD1      LEU  31   3.152   6.957   4.596
  190   1HD2  LEU  31          1HD2      LEU  31   1.252   8.197   2.673
  191   2HD2  LEU  31          2HD2      LEU  31   2.075   8.587   4.182
  192   3HD2  LEU  31          3HD2      LEU  31   0.319   8.709   4.079
  193    H    CYS  32           H        CYS  32  -0.484   4.257   0.804
  194    HA   CYS  32           HA       CYS  32   0.506   5.662  -1.607
  195   1HB   CYS  32          HB2       CYS  32   0.212   2.748  -0.869
  196   2HB   CYS  32          HB1       CYS  32   0.621   3.270  -2.505
  197    H    CYS  33           H        CYS  33  -1.967   6.536  -1.143
  198    HA   CYS  33           HA       CYS  33  -3.652   4.966  -3.040
  199   1HB   CYS  33          HB2       CYS  33  -4.433   6.572  -0.604
  200   2HB   CYS  33          HB1       CYS  33  -5.601   6.071  -1.824
  201    H    GLU  34           H        GLU  34  -3.317   6.080  -4.943
  202    HA   GLU  34           HA       GLU  34  -3.254   9.035  -4.925
  203   1HB   GLU  34          HB2       GLU  34  -1.677   7.766  -6.380
  204   2HB   GLU  34          HB1       GLU  34  -3.054   7.078  -7.242
  205   1HG   GLU  34          HG2       GLU  34  -3.780   9.524  -7.649
  206   2HG   GLU  34          HG1       GLU  34  -2.138   9.953  -7.170
  207    H    GLN  35           H        GLN  35  -5.212  10.032  -4.908
  208    HA   GLN  35           HA       GLN  35  -7.459  10.474  -5.415
  209   1HB   GLN  35          HB2       GLN  35  -6.313   9.275  -7.817
  210   2HB   GLN  35          HB1       GLN  35  -8.025   8.881  -7.650
  211   1HG   GLN  35          HG2       GLN  35  -8.519  11.298  -7.308
  212   2HG   GLN  35          HG1       GLN  35  -6.814  11.661  -7.578
  213   1HE2  GLN  35          1HE2      GLN  35  -6.609  12.493  -9.663
  214   2HE2  GLN  35          2HE2      GLN  35  -7.372  11.860 -11.042
  215    H    CYS  36           H        CYS  36  -6.612   8.279  -3.711
  216    HA   CYS  36           HA       CYS  36  -7.614   6.564  -2.495
  217   1HB   CYS  36          HB2       CYS  36 -10.003   7.350  -4.186
  218   2HB   CYS  36          HB1       CYS  36 -10.065   6.152  -2.886
  219    H    LYS  37           H        LYS  37  -6.139   6.115  -4.967
  220    HA   LYS  37           HA       LYS  37  -7.288   3.451  -5.703
  221   1HB   LYS  37          HB2       LYS  37  -5.531   5.143  -7.501
  222   2HB   LYS  37          HB1       LYS  37  -6.450   3.702  -7.937
  223   1HG   LYS  37          HG2       LYS  37  -8.537   4.851  -7.708
  224   2HG   LYS  37          HG1       LYS  37  -7.765   6.234  -6.929
  225   1HD   LYS  37          HD2       LYS  37  -6.668   6.880  -8.956
  226   2HD   LYS  37          HD1       LYS  37  -7.092   5.361  -9.747
  227   1HE   LYS  37          HE2       LYS  37  -9.544   6.394  -8.908
  228   2HE   LYS  37          HE1       LYS  37  -8.659   7.804  -9.489
  229   1HZ   LYS  37          HZ1       LYS  37  -9.904   5.831 -11.002
  230   2HZ   LYS  37          HZ2       LYS  37  -8.233   5.650 -11.246
  231   3HZ   LYS  37          HZ3       LYS  37  -8.982   7.142 -11.561
  232    H    PHE  38           H        PHE  38  -5.591   1.784  -6.053
  233    HA   PHE  38           HA       PHE  38  -3.449   2.031  -4.143
  234   1HB   PHE  38          HB2       PHE  38  -4.026   0.015  -6.317
  235   2HB   PHE  38          HB1       PHE  38  -2.575  -0.077  -5.330
  236    HD1  PHE  38           HD2      PHE  38  -5.566   1.350  -3.802
  237    HD2  PHE  38           HD1      PHE  38  -3.368  -2.276  -4.466
  238    HE1  PHE  38           HE2      PHE  38  -6.838   0.242  -1.990
  239    HE2  PHE  38           HE1      PHE  38  -4.635  -3.381  -2.650
  240    HZ   PHE  38           HZ       PHE  38  -6.376  -2.122  -1.411
  241    H    SER  39           H        SER  39  -1.480   2.951  -4.413
  242    HA   SER  39           HA       SER  39  -0.762   4.190  -6.927
  243   1HB   SER  39          HB2       SER  39   0.009   4.598  -4.350
  244   2HB   SER  39          HB1       SER  39   1.378   3.660  -4.937
  245    HG   SER  39           HG       SER  39   1.228   6.122  -5.231
  246    H    ARG  40           H        ARG  40   1.904   3.571  -7.340
  247    HA   ARG  40           HA       ARG  40   1.649   0.787  -8.329
  248   1HB   ARG  40          HB2       ARG  40   3.156   3.198  -9.141
  249   2HB   ARG  40          HB1       ARG  40   4.057   1.689  -9.280
  250   1HG   ARG  40          HG2       ARG  40   2.154   0.709 -10.560
  251   2HG   ARG  40          HG1       ARG  40   1.341   2.274 -10.493
  252   1HD   ARG  40          HD2       ARG  40   4.119   1.919 -11.637
  253   2HD   ARG  40          HD1       ARG  40   2.659   1.830 -12.622
  254    HE   ARG  40           HE       ARG  40   2.252   4.219 -11.519
  255   1HH1  ARG  40          1HH1      ARG  40   5.381   3.524 -10.988
  256   2HH1  ARG  40          2HH1      ARG  40   6.063   4.694 -12.069
  257   1HH2  ARG  40          1HH2      ARG  40   3.043   5.425 -13.607
  258   2HH2  ARG  40          2HH2      ARG  40   4.739   5.772 -13.549
  259    H    ALA  41           H        ALA  41   3.814  -0.488  -8.224
  260    HA   ALA  41           HA       ALA  41   4.536  -0.785  -5.449
  261   1HB   ALA  41          HB1       ALA  41   5.921  -1.922  -7.897
  262   2HB   ALA  41          HB2       ALA  41   4.537  -2.666  -7.095
  263   3HB   ALA  41          HB3       ALA  41   6.072  -2.511  -6.242
  264    H    GLY  42           H        GLY  42   6.767  -0.560  -4.619
  265   1HA   GLY  42          HA1       GLY  42   8.775   0.632  -4.343
  266   2HA   GLY  42          HA2       GLY  42   8.727   1.011  -6.059
  267    H    LYS  43           H        LYS  43   5.864   1.756  -4.342
  268    HA   LYS  43           HA       LYS  43   6.289   4.609  -4.826
  269   1HB   LYS  43          HB2       LYS  43   4.014   4.021  -5.003
  270   2HB   LYS  43          HB1       LYS  43   4.079   2.971  -3.591
  271   1HG   LYS  43          HG2       LYS  43   2.879   5.034  -3.031
  272   2HG   LYS  43          HG1       LYS  43   4.398   4.967  -2.145
  273   1HD   LYS  43          HD2       LYS  43   5.456   6.456  -3.757
  274   2HD   LYS  43          HD1       LYS  43   4.008   6.446  -4.763
  275   1HE   LYS  43          HE2       LYS  43   2.930   7.208  -2.392
  276   2HE   LYS  43          HE1       LYS  43   4.543   7.903  -2.237
  277   1HZ   LYS  43          HZ1       LYS  43   3.504   9.566  -3.359
  278   2HZ   LYS  43          HZ2       LYS  43   2.422   8.524  -4.155
  279   3HZ   LYS  43          HZ3       LYS  43   4.032   8.652  -4.686
  280    H    ILE  44           H        ILE  44   7.734   5.627  -3.519
  281    HA   ILE  44           HA       ILE  44   8.563   4.611  -1.015
  282    HB   ILE  44           HB       ILE  44   9.959   6.170  -2.236
  283   1HG1  ILE  44          2HG1      ILE  44  10.577   7.671  -0.434
  284   2HG1  ILE  44          1HG1      ILE  44   8.971   7.537   0.285
  285   1HG2  ILE  44          1HG2      ILE  44   8.884   8.691  -1.855
  286   2HG2  ILE  44          2HG2      ILE  44   7.469   7.722  -2.266
  287   3HG2  ILE  44          3HG2      ILE  44   8.845   7.786  -3.368
  288   1HD1  ILE  44          1HD1      ILE  44  11.071   6.026   1.084
  289   2HD1  ILE  44          2HD1      ILE  44  10.407   4.979  -0.171
  290   3HD1  ILE  44          3HD1      ILE  44   9.398   5.479   1.187
  291    H    CYS  45           H        CYS  45   6.651   4.175   0.201
  292    HA   CYS  45           HA       CYS  45   4.739   6.277   0.886
  293   1HB   CYS  45          HB2       CYS  45   3.990   4.568   2.600
  294   2HB   CYS  45          HB1       CYS  45   3.959   3.993   0.937
  295    H    ARG  46           H        ARG  46   7.688   4.955   2.198
  296    HA   ARG  46           HA       ARG  46   7.688   7.121   4.240
  297   1HB   ARG  46          HB2       ARG  46   7.382   4.279   4.788
  298   2HB   ARG  46          HB1       ARG  46   8.829   4.931   5.559
  299   1HG   ARG  46          HG2       ARG  46   7.075   6.916   6.121
  300   2HG   ARG  46          HG1       ARG  46   5.970   5.542   6.078
  301   1HD   ARG  46          HD2       ARG  46   6.932   4.532   7.909
  302   2HD   ARG  46          HD1       ARG  46   8.535   5.176   7.553
  303    HE   ARG  46           HE       ARG  46   7.809   7.318   8.533
  304   1HH1  ARG  46          1HH1      ARG  46   6.751   4.500   9.916
  305   2HH1  ARG  46          2HH1      ARG  46   5.438   5.198  10.806
  306   1HH2  ARG  46          1HH2      ARG  46   5.663   8.281   9.235
  307   2HH2  ARG  46          2HH2      ARG  46   4.821   7.338  10.419
  308    H    ILE  47           H        ILE  47   9.639   8.117   4.248
  309    HA   ILE  47           HA       ILE  47  11.907   6.739   2.887
  310    HB   ILE  47           HB       ILE  47  11.188   8.966   2.008
  311   1HG1  ILE  47          2HG1      ILE  47  13.550  10.048   2.370
  312   2HG1  ILE  47          1HG1      ILE  47  13.913   8.540   3.211
  313   1HG2  ILE  47          1HG2      ILE  47  10.873   9.613   4.665
  314   2HG2  ILE  47          2HG2      ILE  47  10.935  10.784   3.348
  315   3HG2  ILE  47          3HG2      ILE  47  12.392  10.417   4.271
  316   1HD1  ILE  47          1HD1      ILE  47  14.465   7.829   1.107
  317   2HD1  ILE  47          2HD1      ILE  47  13.436   9.027   0.322
  318   3HD1  ILE  47          3HD1      ILE  47  12.727   7.554   0.984
  319    H    ALA  48           H        ALA  48  13.466   5.918   4.196
  320    HA   ALA  48           HA       ALA  48  13.748   7.099   6.931
  321   1HB   ALA  48          HB1       ALA  48  14.971   4.742   7.230
  322   2HB   ALA  48          HB2       ALA  48  13.916   4.303   5.886
  323   3HB   ALA  48          HB3       ALA  48  13.222   4.897   7.394
  324    H    ARG  49           H        ARG  49  15.489   8.444   6.938
  325    HA   ARG  49           HA       ARG  49  17.750   7.970   5.115
  326   1HB   ARG  49          HB2       ARG  49  18.612  10.090   5.990
  327   2HB   ARG  49          HB1       ARG  49  16.913  10.272   5.552
  328   1HG   ARG  49          HG2       ARG  49  17.196   9.348   8.294
  329   2HG   ARG  49          HG1       ARG  49  18.061  10.863   8.040
  330   1HD   ARG  49          HD2       ARG  49  15.331  10.653   6.864
  331   2HD   ARG  49          HD1       ARG  49  15.439  10.801   8.618
  332    HE   ARG  49           HE       ARG  49  16.919  12.870   8.078
  333   1HH1  ARG  49          1HH2      ARG  49  13.846  13.091   7.835
  334   2HH1  ARG  49          2HH2      ARG  49  13.713  13.981   6.354
  335   1HH2  ARG  49          1HH1      ARG  49  16.997  13.404   5.404
  336   2HH2  ARG  49          2HH1      ARG  49  15.497  14.155   4.977
  337    H    GLY  50           H        GLY  50  19.848   7.404   5.793
  338   1HA   GLY  50          HA2       GLY  50  21.382   7.223   7.823
  339   2HA   GLY  50          HA1       GLY  50  20.031   6.404   8.608
  340    H    ASP  51           H        ASP  51  21.729   4.642   8.812
  341    HA   ASP  51           HA       ASP  51  22.654   3.254   6.460
  342   1HB   ASP  51          HB2       ASP  51  22.855   2.951   9.340
  343   2HB   ASP  51          HB1       ASP  51  22.549   1.395   8.566
  344    H    MET  52           H        MET  52  19.618   3.402   8.010
  345    HA   MET  52           HA       MET  52  18.738   0.726   7.207
  346   1HB   MET  52          HB2       MET  52  17.183   3.130   8.211
  347   2HB   MET  52          HB1       MET  52  16.506   1.519   7.967
  348   1HG   MET  52          HG2       MET  52  17.053   1.337  10.198
  349   2HG   MET  52          HG1       MET  52  18.591   0.831   9.497
  350   1HE   MET  52          HE1       MET  52  18.875   1.259  11.981
  351   2HE   MET  52          HE2       MET  52  17.940   2.609  12.619
  352   3HE   MET  52          HE3       MET  52  19.698   2.715  12.557
  353    HA   PRO  53           HA       PRO  53  17.392   1.796   3.168
  354   1HB   PRO  53          HB2       PRO  53  15.385  -0.062   2.873
  355   2HB   PRO  53          HB1       PRO  53  17.110  -0.464   2.809
  356   1HG   PRO  53          HG2       PRO  53  15.144  -0.981   4.989
  357   2HG   PRO  53          HG1       PRO  53  16.634  -1.853   4.591
  358   1HD   PRO  53          HD2       PRO  53  16.319   0.028   6.687
  359   2HD   PRO  53          HD1       PRO  53  17.860  -0.610   6.075
  360    H    ASP  54           H        ASP  54  14.870   1.738   2.069
  361    HA   ASP  54           HA       ASP  54  13.370   3.711   3.746
  362   1HB   ASP  54          HB2       ASP  54  12.898   3.477   0.804
  363   2HB   ASP  54          HB1       ASP  54  12.841   4.904   1.836
  364    H    ASP  55           H        ASP  55  10.967   3.680   2.348
  365    HA   ASP  55           HA       ASP  55  10.070   0.836   2.495
  366   1HB   ASP  55          HB2       ASP  55   9.222   3.126   4.149
  367   2HB   ASP  55          HB1       ASP  55   7.889   2.228   3.422
  368    H    ARG  56           H        ARG  56   9.231   0.361   0.518
  369    HA   ARG  56           HA       ARG  56   7.751   2.529  -0.900
  370   1HB   ARG  56          HB2       ARG  56   8.925   0.333  -2.512
  371   2HB   ARG  56          HB1       ARG  56   8.811   2.053  -2.867
  372   1HG   ARG  56          HG2       ARG  56  10.586   2.385  -1.040
  373   2HG   ARG  56          HG1       ARG  56  10.846   0.643  -1.143
  374   1HD   ARG  56          HD2       ARG  56  10.901   1.270  -3.776
  375   2HD   ARG  56          HD1       ARG  56  11.521   2.775  -3.097
  376    HE   ARG  56           HE       ARG  56  13.222   1.267  -1.891
  377   1HH1  ARG  56          1HH2      ARG  56  11.729  -1.093  -3.375
  378   2HH1  ARG  56          2HH2      ARG  56  12.940  -1.488  -4.549
  379   1HH2  ARG  56          1HH1      ARG  56  14.762   1.418  -4.038
  380   2HH2  ARG  56          2HH1      ARG  56  14.659  -0.068  -4.923
  381    H    CYS  57           H        CYS  57   5.661   2.026  -1.401
  382    HA   CYS  57           HA       CYS  57   4.451  -0.400  -0.495
  383   1HB   CYS  57          HB2       CYS  57   3.486   1.630  -2.522
  384   2HB   CYS  57          HB1       CYS  57   2.496   0.316  -1.898
  385    H    THR  58           H        THR  58   3.278  -1.959  -1.949
  386    HA   THR  58           HA       THR  58   5.115  -2.820  -4.103
  387    HB   THR  58           HB       THR  58   4.398  -4.981  -3.715
  388    HG1  THR  58           HG1      THR  58   2.322  -5.091  -4.051
  389   1HG2  THR  58          1HG2      THR  58   4.639  -5.287  -1.459
  390   2HG2  THR  58          2HG2      THR  58   3.379  -4.117  -1.063
  391   3HG2  THR  58          3HG2      THR  58   4.998  -3.561  -1.491
  392    H    GLY  59           H        GLY  59   2.662  -0.774  -4.100
  393   1HA   GLY  59          HA2       GLY  59   1.357  -0.010  -5.921
  394   2HA   GLY  59          HA1       GLY  59   1.937  -1.383  -6.864
  395    H    GLN  60           H        GLN  60   0.976  -2.816  -4.132
  396    HA   GLN  60           HA       GLN  60  -1.847  -3.103  -5.042
  397   1HB   GLN  60          HB2       GLN  60   0.168  -5.148  -4.129
  398   2HB   GLN  60          HB1       GLN  60  -1.557  -5.449  -3.924
  399   1HG   GLN  60          HG2       GLN  60  -1.496  -4.569  -6.506
  400   2HG   GLN  60          HG1       GLN  60   0.062  -5.390  -6.395
  401   1HE2  GLN  60          1HE2      GLN  60  -0.331  -7.398  -7.390
  402   2HE2  GLN  60          2HE2      GLN  60  -1.583  -8.453  -6.946
  403    H    SER  61           H        SER  61   0.240  -2.132  -2.574
  404    HA   SER  61           HA       SER  61  -1.830  -2.634  -0.474
  405   1HB   SER  61          HB2       SER  61   1.045  -1.760  -0.097
  406   2HB   SER  61          HB1       SER  61  -0.073  -2.292   1.156
  407    HG   SER  61           HG       SER  61   1.563  -3.770  -0.261
  408    H    ALA  62           H        ALA  62  -3.112  -0.916  -0.034
  409    HA   ALA  62           HA       ALA  62  -2.559   1.733  -1.042
  410   1HB   ALA  62          HB1       ALA  62  -4.471   2.152   0.853
  411   2HB   ALA  62          HB2       ALA  62  -4.682   0.426   0.562
  412   3HB   ALA  62          HB3       ALA  62  -4.824   1.569  -0.773
  413    H    ASP  63           H        ASP  63  -2.569   0.367   2.268
  414    HA   ASP  63           HA       ASP  63  -1.394   2.813   3.359
  415   1HB   ASP  63          HB2       ASP  63  -1.365   0.217   4.854
  416   2HB   ASP  63          HB1       ASP  63  -1.687   1.846   5.448
  417    H    CYS  64           H        CYS  64   0.628   2.212   4.941
  418    HA   CYS  64           HA       CYS  64   2.588   0.669   3.296
  419   1HB   CYS  64          HB2       CYS  64   2.994   3.022   2.857
  420   2HB   CYS  64          HB1       CYS  64   2.986   3.384   4.583
  421    HA   PRO  65           HA       PRO  65   3.196  -1.154   7.269
  422   1HB   PRO  65          HB2       PRO  65   4.893  -3.082   6.324
  423   2HB   PRO  65          HB1       PRO  65   3.137  -3.193   6.194
  424   1HG   PRO  65          HG2       PRO  65   5.162  -2.634   4.092
  425   2HG   PRO  65          HG1       PRO  65   3.524  -3.287   3.925
  426   1HD   PRO  65          HD2       PRO  65   4.334  -0.618   3.397
  427   2HD   PRO  65          HD1       PRO  65   2.664  -1.219   3.489
  428    H    ARG  66           H        ARG  66   5.476  -2.123   8.244
  429    HA   ARG  66           HA       ARG  66   7.456   0.090   7.894
  430   1HB   ARG  66          HB2       ARG  66   7.213  -1.776  10.269
  431   2HB   ARG  66          HB1       ARG  66   8.118  -0.265  10.175
  432   1HG   ARG  66          HG2       ARG  66   6.266   1.016  10.514
  433   2HG   ARG  66          HG1       ARG  66   5.246  -0.029   9.523
  434   1HD   ARG  66          HD2       ARG  66   5.101  -1.661  11.344
  435   2HD   ARG  66          HD1       ARG  66   6.182  -0.681  12.333
  436    HE   ARG  66           HE       ARG  66   3.877   0.845  11.486
  437   1HH1  ARG  66          1HH1      ARG  66   5.519  -0.206  14.150
  438   2HH1  ARG  66          2HH1      ARG  66   4.132  -0.449  15.159
  439   1HH2  ARG  66          1HH2      ARG  66   1.851  -0.052  12.578
  440   2HH2  ARG  66          2HH2      ARG  66   2.057  -0.363  14.269
  441    H    TYR  67           H        TYR  67   9.564  -1.314   9.281
  442    HA   TYR  67           HA       TYR  67  10.143  -3.468   7.283
  443   1HB   TYR  67          HB2       TYR  67  11.633  -1.080   7.995
  444   2HB   TYR  67          HB1       TYR  67  12.595  -2.531   8.281
  445    HD1  TYR  67           HD1      TYR  67  10.609  -0.693   5.732
  446    HD2  TYR  67           HD2      TYR  67  13.416  -3.861   6.471
  447    HE1  TYR  67           HE1      TYR  67  10.995  -0.923   3.292
  448    HE2  TYR  67           HE2      TYR  67  13.801  -4.090   4.032
  449    HH   TYR  67           HH       TYR  67  12.934  -1.799   1.814
  450    H    HIS  68           H        HIS  68   8.971  -3.594  10.062
  451    HA   HIS  68           HA       HIS  68   9.315  -4.780  12.075
  452   1HB   HIS  68          HB2       HIS  68   9.118  -6.565  10.312
  453   2HB   HIS  68          HB1       HIS  68  10.878  -6.585  10.207
  454    HD1  HIS  68           HD1      HIS  68   9.508  -5.984  13.584
  455    HD2  HIS  68           HD2      HIS  68  10.726  -9.280  11.342
  456    HE1  HIS  68           HE1      HIS  68   9.764  -7.904  15.215
  Start of MODEL    7
    1   1H    GLY   1          HT1       GLY   1  -9.108 -12.736   4.994
    2   2H    GLY   1          HT2       GLY   1  -8.470 -11.242   5.495
    3   3H    GLY   1          HT3       GLY   1  -8.008 -11.910   4.003
    4   1HA   GLY   1          HA1       GLY   1  -9.760 -11.080   2.942
    5   2HA   GLY   1          HA2       GLY   1 -10.846 -11.602   4.228
    6    H    LYS   2           H        LYS   2 -11.237  -9.114   3.069
    7    HA   LYS   2           HA       LYS   2 -10.380  -7.290   5.278
    8   1HB   LYS   2          HB2       LYS   2 -10.845  -6.348   2.448
    9   2HB   LYS   2          HB1       LYS   2  -9.997  -5.519   3.755
   10   1HG   LYS   2          HG2       LYS   2  -8.337  -7.482   3.701
   11   2HG   LYS   2          HG1       LYS   2  -9.074  -7.910   2.156
   12   1HD   LYS   2          HD2       LYS   2  -8.128  -5.097   2.654
   13   2HD   LYS   2          HD1       LYS   2  -6.986  -6.344   2.150
   14   1HE   LYS   2          HE2       LYS   2  -7.836  -6.449   0.041
   15   2HE   LYS   2          HE1       LYS   2  -9.498  -6.266   0.598
   16   1HZ   LYS   2          HZ1       LYS   2  -7.948  -3.908   1.030
   17   2HZ   LYS   2          HZ2       LYS   2  -9.436  -4.092   0.232
   18   3HZ   LYS   2          HZ3       LYS   2  -7.981  -4.345  -0.608
   19    H    GLU   3           H        GLU   3 -12.053  -6.180   6.222
   20    HA   GLU   3           HA       GLU   3 -14.735  -6.458   4.936
   21   1HB   GLU   3          HB2       GLU   3 -13.939  -6.192   7.844
   22   2HB   GLU   3          HB1       GLU   3 -15.608  -6.100   7.279
   23   1HG   GLU   3          HG2       GLU   3 -14.532  -8.397   6.060
   24   2HG   GLU   3          HG1       GLU   3 -13.970  -8.443   7.733
   25    H    CYS   4           H        CYS   4 -12.368  -4.218   6.093
   26    HA   CYS   4           HA       CYS   4 -14.259  -2.002   5.446
   27   1HB   CYS   4          HB2       CYS   4 -12.215  -2.112   7.681
   28   2HB   CYS   4          HB1       CYS   4 -13.055  -0.643   7.187
   29    H    ASP   5           H        ASP   5 -13.351  -0.272   4.288
   30    HA   ASP   5           HA       ASP   5 -10.583  -0.775   3.283
   31   1HB   ASP   5          HB2       ASP   5 -12.355  -0.926   1.552
   32   2HB   ASP   5          HB1       ASP   5 -12.846   0.727   1.933
   33    H    CYS   6           H        CYS   6 -12.794   1.615   4.623
   34    HA   CYS   6           HA       CYS   6 -10.495   3.528   4.726
   35   1HB   CYS   6          HB2       CYS   6 -11.976   5.342   4.484
   36   2HB   CYS   6          HB1       CYS   6 -12.619   4.145   3.366
   37    H    SER   7           H        SER   7 -10.719   5.083   6.668
   38    HA   SER   7           HA       SER   7 -11.645   3.507   9.037
   39   1HB   SER   7          HB2       SER   7  -9.152   5.025   8.493
   40   2HB   SER   7          HB1       SER   7  -9.833   5.209  10.106
   41    HG   SER   7           HG       SER   7  -9.533   3.112  10.487
   42    H    SER   8           H        SER   8 -12.342   6.185   7.197
   43    HA   SER   8           HA       SER   8 -13.475   7.620   9.565
   44   1HB   SER   8          HB2       SER   8 -12.828   8.886   6.896
   45   2HB   SER   8          HB1       SER   8 -13.193   9.698   8.417
   46    HG   SER   8           HG       SER   8 -11.255   8.873   9.248
   47    HA   PRO   9           HA       PRO   9 -17.356   6.725   7.637
   48   1HB   PRO   9          HB2       PRO   9 -18.893   8.289   9.293
   49   2HB   PRO   9          HB1       PRO   9 -18.241   6.710   9.766
   50   1HG   PRO   9          HG2       PRO   9 -17.352   9.432  10.596
   51   2HG   PRO   9          HG1       PRO   9 -17.189   7.889  11.451
   52   1HD   PRO   9          HD2       PRO   9 -15.146   9.213   9.998
   53   2HD   PRO   9          HD1       PRO   9 -15.094   7.540  10.592
   54    H    GLU  10           H        GLU  10 -16.054   9.946   8.007
   55    HA   GLU  10           HA       GLU  10 -18.144  11.227   6.396
   56   1HB   GLU  10          HB2       GLU  10 -15.936  12.076   8.055
   57   2HB   GLU  10          HB1       GLU  10 -15.853  12.878   6.485
   58   1HG   GLU  10          HG2       GLU  10 -18.483  13.145   6.929
   59   2HG   GLU  10          HG1       GLU  10 -17.940  13.069   8.606
   60    H    ASN  11           H        ASN  11 -15.671   9.169   5.635
   61    HA   ASN  11           HA       ASN  11 -14.737  10.541   3.213
   62   1HB   ASN  11          HB2       ASN  11 -13.358   8.933   4.662
   63   2HB   ASN  11          HB1       ASN  11 -14.306   7.637   3.932
   64   1HD2  ASN  11          1HD2      ASN  11 -11.775   7.299   3.261
   65   2HD2  ASN  11          2HD2      ASN  11 -11.392   7.910   1.725
   66    HA   PRO  12           HA       PRO  12 -18.242   8.847   0.988
   67   1HB   PRO  12          HB2       PRO  12 -17.689  10.162  -1.364
   68   2HB   PRO  12          HB1       PRO  12 -18.515  10.918   0.010
   69   1HG   PRO  12          HG2       PRO  12 -15.700  11.273  -0.916
   70   2HG   PRO  12          HG1       PRO  12 -16.746  12.408  -0.045
   71   1HD   PRO  12          HD2       PRO  12 -14.687  10.862   1.105
   72   2HD   PRO  12          HD1       PRO  12 -15.979  11.692   1.999
   73    H    CYS  13           H        CYS  13 -14.891   8.482   0.439
   74    HA   CYS  13           HA       CYS  13 -15.058   6.847  -1.962
   75   1HB   CYS  13          HB2       CYS  13 -12.965   7.804  -0.117
   76   2HB   CYS  13          HB1       CYS  13 -12.656   6.208  -0.802
   77    H    CYS  14           H        CYS  14 -16.167   6.287   1.082
   78    HA   CYS  14           HA       CYS  14 -15.999   3.381   0.649
   79   1HB   CYS  14          HB2       CYS  14 -15.132   2.873   2.827
   80   2HB   CYS  14          HB1       CYS  14 -14.051   4.067   2.114
   81    H    ASP  15           H        ASP  15 -17.844   2.380   1.185
   82    HA   ASP  15           HA       ASP  15 -20.155   3.899   1.976
   83   1HB   ASP  15          HB2       ASP  15 -19.957   1.677   0.607
   84   2HB   ASP  15          HB1       ASP  15 -19.972   0.906   2.189
   85    H    ALA  16           H        ALA  16 -20.797   4.401   4.025
   86    HA   ALA  16           HA       ALA  16 -19.258   3.533   6.320
   87   1HB   ALA  16          HB1       ALA  16 -20.181   5.569   6.826
   88   2HB   ALA  16          HB2       ALA  16 -21.503   4.571   7.433
   89   3HB   ALA  16          HB3       ALA  16 -21.605   5.287   5.824
   90    H    ALA  17           H        ALA  17 -22.179   2.427   4.742
   91    HA   ALA  17           HA       ALA  17 -23.183   0.834   6.926
   92   1HB   ALA  17          HB1       ALA  17 -24.693  -0.087   5.345
   93   2HB   ALA  17          HB2       ALA  17 -23.591   0.205   4.000
   94   3HB   ALA  17          HB3       ALA  17 -24.413   1.559   4.776
   95    H    THR  18           H        THR  18 -20.892   0.230   4.299
   96    HA   THR  18           HA       THR  18 -20.403  -2.481   5.468
   97    HB   THR  18           HB       THR  18 -19.894  -3.291   3.344
   98    HG1  THR  18           HG1      THR  18 -19.002  -2.084   1.790
   99   1HG2  THR  18          1HG2      THR  18 -21.640  -2.526   1.826
  100   2HG2  THR  18          2HG2      THR  18 -21.807  -1.022   2.734
  101   3HG2  THR  18          3HG2      THR  18 -22.273  -2.554   3.472
  102    H    CYS  19           H        CYS  19 -19.236   0.478   5.768
  103    HA   CYS  19           HA       CYS  19 -17.125   1.455   6.070
  104   1HB   CYS  19          HB2       CYS  19 -15.803   0.332   7.684
  105   2HB   CYS  19          HB1       CYS  19 -17.454  -0.184   8.007
  106    H    LYS  20           H        LYS  20 -17.516  -0.074   3.472
  107    HA   LYS  20           HA       LYS  20 -14.610  -0.572   2.934
  108   1HB   LYS  20          HB2       LYS  20 -17.041  -1.760   1.560
  109   2HB   LYS  20          HB1       LYS  20 -15.369  -2.015   1.052
  110   1HG   LYS  20          HG2       LYS  20 -14.911  -3.420   2.793
  111   2HG   LYS  20          HG1       LYS  20 -15.948  -2.538   3.913
  112   1HD   LYS  20          HD2       LYS  20 -17.067  -4.602   3.577
  113   2HD   LYS  20          HD1       LYS  20 -17.919  -3.464   2.532
  114   1HE   LYS  20          HE2       LYS  20 -17.469  -4.807   0.784
  115   2HE   LYS  20          HE1       LYS  20 -15.755  -4.459   1.009
  116   1HZ   LYS  20          HZ1       LYS  20 -15.726  -6.695   1.293
  117   2HZ   LYS  20          HZ2       LYS  20 -17.317  -6.768   1.882
  118   3HZ   LYS  20          HZ3       LYS  20 -16.057  -6.249   2.896
  119    H    LEU  21           H        LEU  21 -14.423  -0.351   0.275
  120    HA   LEU  21           HA       LEU  21 -14.623   2.443  -0.214
  121   1HB   LEU  21          HB2       LEU  21 -14.111   0.063  -1.956
  122   2HB   LEU  21          HB1       LEU  21 -14.395   1.639  -2.700
  123    HG   LEU  21           HG       LEU  21 -12.502   1.581  -0.415
  124   1HD1  LEU  21          1HD1      LEU  21 -11.355   0.869  -3.068
  125   2HD1  LEU  21          2HD1      LEU  21 -12.138  -0.427  -2.167
  126   3HD1  LEU  21          3HD1      LEU  21 -10.787   0.454  -1.455
  127   1HD2  LEU  21          1HD2      LEU  21 -13.288   3.358  -2.427
  128   2HD2  LEU  21          2HD2      LEU  21 -11.665   2.846  -2.890
  129   3HD2  LEU  21          3HD2      LEU  21 -11.943   3.570  -1.306
  130    H    ARG  22           H        ARG  22 -16.113   3.652  -1.396
  131    HA   ARG  22           HA       ARG  22 -18.773   2.373  -1.695
  132   1HB   ARG  22          HB2       ARG  22 -18.004   4.827  -0.629
  133   2HB   ARG  22          HB1       ARG  22 -18.686   5.243  -2.201
  134   1HG   ARG  22          HG2       ARG  22 -20.014   3.665   0.014
  135   2HG   ARG  22          HG1       ARG  22 -20.511   5.228  -0.636
  136   1HD   ARG  22          HD2       ARG  22 -20.638   3.922  -2.914
  137   2HD   ARG  22          HD1       ARG  22 -20.752   2.503  -1.874
  138    HE   ARG  22           HE       ARG  22 -22.745   3.716  -0.803
  139   1HH1  ARG  22          1HH1      ARG  22 -22.296   3.121  -4.047
  140   2HH1  ARG  22          2HH1      ARG  22 -23.538   4.188  -4.610
  141   1HH2  ARG  22          1HH2      ARG  22 -24.080   5.626  -1.501
  142   2HH2  ARG  22          2HH2      ARG  22 -24.547   5.608  -3.169
  143    HA   PRO  23           HA       PRO  23 -18.167   4.295  -5.985
  144   1HB   PRO  23          HB2       PRO  23 -15.859   5.683  -6.515
  145   2HB   PRO  23          HB1       PRO  23 -17.313   6.429  -5.830
  146   1HG   PRO  23          HG2       PRO  23 -14.738   5.789  -4.494
  147   2HG   PRO  23          HG1       PRO  23 -15.974   6.971  -4.037
  148   1HD   PRO  23          HD2       PRO  23 -15.556   4.391  -2.889
  149   2HD   PRO  23          HD1       PRO  23 -16.892   5.508  -2.541
  150    H    GLY  24           H        GLY  24 -16.122   4.241  -7.852
  151   1HA   GLY  24          HA2       GLY  24 -15.249   1.427  -7.675
  152   2HA   GLY  24          HA1       GLY  24 -15.144   2.454  -9.106
  153    H    ALA  25           H        ALA  25 -13.996   3.235  -5.847
  154    HA   ALA  25           HA       ALA  25 -11.314   3.770  -6.974
  155   1HB   ALA  25          HB1       ALA  25 -12.906   4.764  -4.747
  156   2HB   ALA  25          HB2       ALA  25 -11.492   5.488  -5.514
  157   3HB   ALA  25          HB3       ALA  25 -11.286   4.306  -4.221
  158    H    GLN  26           H        GLN  26  -9.393   2.888  -5.874
  159    HA   GLN  26           HA       GLN  26  -9.830   0.088  -5.068
  160   1HB   GLN  26          HB2       GLN  26  -7.604   1.691  -6.100
  161   2HB   GLN  26          HB1       GLN  26  -7.119   0.622  -4.784
  162   1HG   GLN  26          HG2       GLN  26  -7.087  -1.074  -6.265
  163   2HG   GLN  26          HG1       GLN  26  -8.838  -0.911  -6.397
  164   1HE2  GLN  26          1HE2      GLN  26  -5.975  -0.775  -8.203
  165   2HE2  GLN  26          2HE2      GLN  26  -6.566   0.081  -9.544
  166    H    CYS  27           H        CYS  27  -8.980   3.166  -3.648
  167    HA   CYS  27           HA       CYS  27  -9.332   2.008  -0.970
  168   1HB   CYS  27          HB2       CYS  27  -7.084   1.745  -0.689
  169   2HB   CYS  27          HB1       CYS  27  -6.701   2.733  -2.090
  170    H    GLY  28           H        GLY  28  -9.685   3.695   0.639
  171   1HA   GLY  28          HA2       GLY  28 -10.650   6.218  -0.609
  172   2HA   GLY  28          HA1       GLY  28 -11.185   5.592   0.948
  173    H    GLU  29           H        GLU  29  -8.523   4.935   1.878
  174    HA   GLU  29           HA       GLU  29  -7.101   7.523   1.880
  175   1HB   GLU  29          HB2       GLU  29  -7.225   7.823   4.240
  176   2HB   GLU  29          HB1       GLU  29  -8.872   7.537   3.699
  177   1HG   GLU  29          HG2       GLU  29  -9.046   5.686   4.964
  178   2HG   GLU  29          HG1       GLU  29  -7.549   5.027   4.310
  179    H    GLY  30           H        GLY  30  -4.891   7.301   2.490
  180   1HA   GLY  30          HA2       GLY  30  -3.574   5.265   3.790
  181   2HA   GLY  30          HA1       GLY  30  -3.832   4.592   2.179
  182    H    LEU  31           H        LEU  31  -1.249   5.255   3.348
  183    HA   LEU  31           HA       LEU  31  -0.247   7.765   2.422
  184   1HB   LEU  31          HB2       LEU  31   0.914   5.205   3.343
  185   2HB   LEU  31          HB1       LEU  31   1.939   6.137   2.257
  186    HG   LEU  31           HG       LEU  31   0.648   7.199   4.785
  187   1HD1  LEU  31          1HD1      LEU  31   3.297   6.007   4.144
  188   2HD1  LEU  31          2HD1      LEU  31   2.404   6.008   5.665
  189   3HD1  LEU  31          3HD1      LEU  31   3.306   7.440   5.170
  190   1HD2  LEU  31          1HD2      LEU  31   2.385   8.430   2.642
  191   2HD2  LEU  31          2HD2      LEU  31   2.303   9.110   4.267
  192   3HD2  LEU  31          3HD2      LEU  31   0.847   9.021   3.274
  193    H    CYS  32           H        CYS  32  -0.840   4.724   0.782
  194    HA   CYS  32           HA       CYS  32   0.356   5.904  -1.686
  195   1HB   CYS  32          HB2       CYS  32   0.221   3.127  -0.619
  196   2HB   CYS  32          HB1       CYS  32   0.096   3.327  -2.368
  197    H    CYS  33           H        CYS  33  -2.144   6.818  -1.056
  198    HA   CYS  33           HA       CYS  33  -3.879   5.324  -2.978
  199   1HB   CYS  33          HB2       CYS  33  -4.631   6.788  -0.439
  200   2HB   CYS  33          HB1       CYS  33  -5.814   6.298  -1.654
  201    H    GLU  34           H        GLU  34  -3.342   6.607  -4.772
  202    HA   GLU  34           HA       GLU  34  -3.632   9.545  -4.540
  203   1HB   GLU  34          HB2       GLU  34  -2.659   7.708  -6.740
  204   2HB   GLU  34          HB1       GLU  34  -2.917   9.434  -6.996
  205   1HG   GLU  34          HG2       GLU  34  -1.276  10.012  -5.345
  206   2HG   GLU  34          HG1       GLU  34  -1.176   8.348  -4.772
  207    H    GLN  35           H        GLN  35  -5.709  10.251  -4.707
  208    HA   GLN  35           HA       GLN  35  -7.835  10.574  -5.653
  209   1HB   GLN  35          HB2       GLN  35  -6.219   9.676  -7.809
  210   2HB   GLN  35          HB1       GLN  35  -7.727   8.765  -7.889
  211   1HG   GLN  35          HG2       GLN  35  -8.676  10.577  -8.833
  212   2HG   GLN  35          HG1       GLN  35  -8.499  11.395  -7.280
  213   1HE2  GLN  35          1HE2      GLN  35  -8.120  12.364 -10.201
  214   2HE2  GLN  35          2HE2      GLN  35  -6.591  13.101 -10.182
  215    H    CYS  36           H        CYS  36  -7.264   8.523  -3.716
  216    HA   CYS  36           HA       CYS  36  -8.368   6.727  -2.699
  217   1HB   CYS  36          HB2       CYS  36 -10.366   7.656  -4.737
  218   2HB   CYS  36          HB1       CYS  36 -10.652   6.143  -3.872
  219    H    LYS  37           H        LYS  37  -6.551   6.440  -5.137
  220    HA   LYS  37           HA       LYS  37  -7.407   3.665  -5.855
  221   1HB   LYS  37          HB2       LYS  37  -6.944   5.832  -7.589
  222   2HB   LYS  37          HB1       LYS  37  -5.511   4.811  -7.726
  223   1HG   LYS  37          HG2       LYS  37  -6.756   2.945  -8.434
  224   2HG   LYS  37          HG1       LYS  37  -8.267   3.596  -7.799
  225   1HD   LYS  37          HD2       LYS  37  -8.679   4.780  -9.686
  226   2HD   LYS  37          HD1       LYS  37  -7.007   5.327  -9.810
  227   1HE   LYS  37          HE2       LYS  37  -6.562   2.806 -10.477
  228   2HE   LYS  37          HE1       LYS  37  -8.273   2.840 -10.906
  229   1HZ   LYS  37          HZ1       LYS  37  -7.843   4.778 -12.291
  230   2HZ   LYS  37          HZ2       LYS  37  -6.903   3.452 -12.785
  231   3HZ   LYS  37          HZ3       LYS  37  -6.195   4.716 -11.895
  232    H    PHE  38           H        PHE  38  -5.635   2.130  -6.102
  233    HA   PHE  38           HA       PHE  38  -3.609   2.445  -4.084
  234   1HB   PHE  38          HB2       PHE  38  -3.973   0.444  -6.325
  235   2HB   PHE  38          HB1       PHE  38  -2.629   0.359  -5.188
  236    HD1  PHE  38           HD1      PHE  38  -3.948   1.275  -2.680
  237    HD2  PHE  38           HD2      PHE  38  -5.318  -1.412  -5.739
  238    HE1  PHE  38           HE1      PHE  38  -5.406   0.139  -1.029
  239    HE2  PHE  38           HE2      PHE  38  -6.776  -2.548  -4.087
  240    HZ   PHE  38           HZ       PHE  38  -6.823  -1.772  -1.732
  241    H    SER  39           H        SER  39  -1.577   3.279  -4.259
  242    HA   SER  39           HA       SER  39  -0.815   4.713  -6.649
  243   1HB   SER  39          HB2       SER  39   0.619   4.020  -4.084
  244   2HB   SER  39          HB1       SER  39   1.442   4.853  -5.399
  245    HG   SER  39           HG       SER  39   0.249   6.590  -5.060
  246    H    ARG  40           H        ARG  40   1.583   4.229  -7.497
  247    HA   ARG  40           HA       ARG  40   1.444   1.595  -8.702
  248   1HB   ARG  40          HB2       ARG  40   2.831   4.031  -9.197
  249   2HB   ARG  40          HB1       ARG  40   4.044   2.761  -9.023
  250   1HG   ARG  40          HG2       ARG  40   3.013   1.425 -10.733
  251   2HG   ARG  40          HG1       ARG  40   1.592   2.471 -10.774
  252   1HD   ARG  40          HD2       ARG  40   4.393   3.395 -11.473
  253   2HD   ARG  40          HD1       ARG  40   3.199   2.881 -12.664
  254    HE   ARG  40           HE       ARG  40   1.794   4.797 -11.398
  255   1HH1  ARG  40          1HH2      ARG  40   4.581   5.666 -10.356
  256   2HH1  ARG  40          2HH2      ARG  40   4.945   6.935 -11.478
  257   1HH2  ARG  40          1HH1      ARG  40   2.474   6.018 -13.730
  258   2HH2  ARG  40          2HH1      ARG  40   3.754   7.133 -13.388
  259    H    ALA  41           H        ALA  41   3.264   0.030  -8.577
  260    HA   ALA  41           HA       ALA  41   3.888  -0.620  -5.835
  261   1HB   ALA  41          HB1       ALA  41   4.617  -1.771  -8.517
  262   2HB   ALA  41          HB2       ALA  41   3.694  -2.510  -7.210
  263   3HB   ALA  41          HB3       ALA  41   5.443  -2.335  -7.065
  264    H    GLY  42           H        GLY  42   6.030  -0.724  -4.899
  265   1HA   GLY  42          HA2       GLY  42   8.221   0.044  -4.522
  266   2HA   GLY  42          HA1       GLY  42   8.327   0.405  -6.243
  267    H    LYS  43           H        LYS  43   5.807   1.694  -4.137
  268    HA   LYS  43           HA       LYS  43   6.718   4.422  -4.850
  269   1HB   LYS  43          HB2       LYS  43   4.393   4.305  -5.068
  270   2HB   LYS  43          HB1       LYS  43   4.213   3.263  -3.660
  271   1HG   LYS  43          HG2       LYS  43   3.408   5.546  -3.171
  272   2HG   LYS  43          HG1       LYS  43   4.809   5.145  -2.181
  273   1HD   LYS  43          HD2       LYS  43   5.566   7.167  -2.939
  274   2HD   LYS  43          HD1       LYS  43   6.058   6.208  -4.335
  275   1HE   LYS  43          HE2       LYS  43   3.271   6.974  -4.553
  276   2HE   LYS  43          HE1       LYS  43   4.295   8.394  -4.342
  277   1HZ   LYS  43          HZ1       LYS  43   5.727   6.989  -6.092
  278   2HZ   LYS  43          HZ2       LYS  43   4.585   8.163  -6.541
  279   3HZ   LYS  43          HZ3       LYS  43   4.163   6.518  -6.547
  280    H    ILE  44           H        ILE  44   8.064   5.503  -3.512
  281    HA   ILE  44           HA       ILE  44   8.870   4.499  -0.961
  282    HB   ILE  44           HB       ILE  44  10.344   5.949  -2.211
  283   1HG1  ILE  44          2HG1      ILE  44  10.841   7.670  -0.473
  284   2HG1  ILE  44          1HG1      ILE  44   9.297   7.301   0.296
  285   1HG2  ILE  44          1HG2      ILE  44   9.163   7.449  -3.481
  286   2HG2  ILE  44          2HG2      ILE  44   9.485   8.506  -2.106
  287   3HG2  ILE  44          3HG2      ILE  44   7.930   7.685  -2.242
  288   1HD1  ILE  44          1HD1      ILE  44  11.416   6.108   1.202
  289   2HD1  ILE  44          2HD1      ILE  44  11.306   5.124  -0.257
  290   3HD1  ILE  44          3HD1      ILE  44   9.979   5.129   0.905
  291    H    CYS  45           H        CYS  45   6.845   4.167   0.148
  292    HA   CYS  45           HA       CYS  45   5.113   6.429   0.818
  293   1HB   CYS  45          HB2       CYS  45   4.162   4.762   2.483
  294   2HB   CYS  45          HB1       CYS  45   4.063   4.285   0.791
  295    H    ARG  46           H        ARG  46   7.719   4.620   2.356
  296    HA   ARG  46           HA       ARG  46   7.785   6.734   4.481
  297   1HB   ARG  46          HB2       ARG  46   7.036   4.262   5.077
  298   2HB   ARG  46          HB1       ARG  46   8.775   3.968   5.059
  299   1HG   ARG  46          HG2       ARG  46   8.692   4.689   7.215
  300   2HG   ARG  46          HG1       ARG  46   8.649   6.296   6.488
  301   1HD   ARG  46          HD2       ARG  46   6.267   6.407   6.641
  302   2HD   ARG  46          HD1       ARG  46   6.142   4.690   7.020
  303    HE   ARG  46           HE       ARG  46   6.655   5.203   9.269
  304   1HH1  ARG  46          1HH1      ARG  46   5.421   7.907   8.661
  305   2HH1  ARG  46          2HH1      ARG  46   6.639   8.982   9.262
  306   1HH2  ARG  46          1HH2      ARG  46   9.100   6.544   9.403
  307   2HH2  ARG  46          2HH2      ARG  46   8.720   8.211   9.682
  308    H    ILE  47           H        ILE  47   9.838   7.497   5.044
  309    HA   ILE  47           HA       ILE  47  11.973   6.901   3.105
  310    HB   ILE  47           HB       ILE  47  11.297   9.240   4.020
  311   1HG1  ILE  47          2HG1      ILE  47  14.212   9.011   4.369
  312   2HG1  ILE  47          1HG1      ILE  47  13.605   8.229   2.909
  313   1HG2  ILE  47          1HG2      ILE  47  13.224   8.464   6.217
  314   2HG2  ILE  47          2HG2      ILE  47  11.476   8.387   6.435
  315   3HG2  ILE  47          3HG2      ILE  47  12.254   9.930   6.086
  316   1HD1  ILE  47          1HD1      ILE  47  12.666  10.994   3.627
  317   2HD1  ILE  47          2HD1      ILE  47  12.738  10.223   2.042
  318   3HD1  ILE  47          3HD1      ILE  47  14.220  10.773   2.822
  319    H    ALA  48           H        ALA  48  14.304   6.936   4.323
  320    HA   ALA  48           HA       ALA  48  14.129   4.804   6.414
  321   1HB   ALA  48          HB1       ALA  48  16.612   5.167   4.798
  322   2HB   ALA  48          HB2       ALA  48  15.219   4.440   3.998
  323   3HB   ALA  48          HB3       ALA  48  15.900   3.689   5.442
  324    H    ARG  49           H        ARG  49  15.532   4.982   8.207
  325    HA   ARG  49           HA       ARG  49  16.459   7.719   8.755
  326   1HB   ARG  49          HB2       ARG  49  16.602   5.266  10.523
  327   2HB   ARG  49          HB1       ARG  49  16.793   6.944  11.033
  328   1HG   ARG  49          HG2       ARG  49  14.275   5.904   9.711
  329   2HG   ARG  49          HG1       ARG  49  14.497   5.936  11.460
  330   1HD   ARG  49          HD2       ARG  49  15.266   8.491  10.569
  331   2HD   ARG  49          HD1       ARG  49  13.794   8.108   9.676
  332    HE   ARG  49           HE       ARG  49  13.981   8.580  12.552
  333   1HH1  ARG  49          1HH2      ARG  49  11.684   9.467  10.868
  334   2HH1  ARG  49          2HH2      ARG  49  10.441   8.348  11.318
  335   1HH2  ARG  49          1HH1      ARG  49  12.634   6.079  12.754
  336   2HH2  ARG  49          2HH1      ARG  49  10.979   6.430  12.385
  337    H    GLY  50           H        GLY  50  17.842   4.481   8.445
  338   1HA   GLY  50          HA2       GLY  50  20.263   5.245   7.275
  339   2HA   GLY  50          HA1       GLY  50  20.550   5.308   9.010
  340    H    ASP  51           H        ASP  51  20.516   3.358  10.195
  341    HA   ASP  51           HA       ASP  51  21.619   1.075   9.119
  342   1HB   ASP  51          HB2       ASP  51  21.291   1.396  11.543
  343   2HB   ASP  51          HB1       ASP  51  19.557   1.137  11.341
  344    H    MET  52           H        MET  52  18.290   2.072   8.895
  345    HA   MET  52           HA       MET  52  17.638  -0.498   7.517
  346   1HB   MET  52          HB2       MET  52  15.224   0.424   7.815
  347   2HB   MET  52          HB1       MET  52  16.054  -0.212   9.236
  348   1HG   MET  52          HG2       MET  52  16.429   2.681   8.611
  349   2HG   MET  52          HG1       MET  52  14.866   2.187   9.260
  350   1HE   MET  52          HE1       MET  52  16.179  -0.301  11.839
  351   2HE   MET  52          HE2       MET  52  14.928   0.153  10.685
  352   3HE   MET  52          HE3       MET  52  14.955   0.897  12.281
  353    HA   PRO  53           HA       PRO  53  17.384   1.715   3.732
  354   1HB   PRO  53          HB2       PRO  53  15.785  -0.051   2.360
  355   2HB   PRO  53          HB1       PRO  53  17.502  -0.340   2.690
  356   1HG   PRO  53          HG2       PRO  53  15.109  -1.573   3.976
  357   2HG   PRO  53          HG1       PRO  53  16.745  -2.228   3.789
  358   1HD   PRO  53          HD2       PRO  53  15.678  -1.099   6.152
  359   2HD   PRO  53          HD1       PRO  53  17.395  -1.439   5.840
  360    H    ASP  54           H        ASP  54  15.422   2.167   2.017
  361    HA   ASP  54           HA       ASP  54  13.427   3.652   3.563
  362   1HB   ASP  54          HB2       ASP  54  13.523   3.294   0.559
  363   2HB   ASP  54          HB1       ASP  54  12.769   4.605   1.466
  364    H    ASP  55           H        ASP  55  11.081   3.482   2.380
  365    HA   ASP  55           HA       ASP  55  10.404   0.570   2.258
  366   1HB   ASP  55          HB2       ASP  55   9.685   2.253   4.312
  367   2HB   ASP  55          HB1       ASP  55   8.287   2.368   3.243
  368    H    ARG  56           H        ARG  56   9.170   0.016   0.486
  369    HA   ARG  56           HA       ARG  56   7.967   2.273  -1.058
  370   1HB   ARG  56          HB2       ARG  56   9.109  -0.254  -2.264
  371   2HB   ARG  56          HB1       ARG  56   8.586   1.200  -3.114
  372   1HG   ARG  56          HG2       ARG  56  10.467   2.077  -1.210
  373   2HG   ARG  56          HG1       ARG  56  11.159   0.620  -1.925
  374   1HD   ARG  56          HD2       ARG  56   9.985   2.135  -4.035
  375   2HD   ARG  56          HD1       ARG  56  10.968   3.238  -3.072
  376    HE   ARG  56           HE       ARG  56  11.977   1.113  -4.765
  377   1HH1  ARG  56          1HH1      ARG  56  13.068   0.198  -2.210
  378   2HH1  ARG  56          2HH1      ARG  56  14.510   1.139  -2.027
  379   1HH2  ARG  56          1HH2      ARG  56  13.589   3.500  -4.394
  380   2HH2  ARG  56          2HH2      ARG  56  14.805   3.008  -3.263
  381    H    CYS  57           H        CYS  57   5.830   2.013  -1.608
  382    HA   CYS  57           HA       CYS  57   4.257  -0.081  -0.453
  383   1HB   CYS  57          HB2       CYS  57   3.651   1.779  -2.769
  384   2HB   CYS  57          HB1       CYS  57   2.467   0.697  -2.048
  385    H    THR  58           H        THR  58   3.134  -1.824  -1.527
  386    HA   THR  58           HA       THR  58   4.779  -3.184  -3.525
  387    HB   THR  58           HB       THR  58   3.380  -5.065  -3.148
  388    HG1  THR  58           HG1      THR  58   1.349  -4.654  -1.948
  389   1HG2  THR  58          1HG2      THR  58   3.229  -3.529  -0.544
  390   2HG2  THR  58          2HG2      THR  58   4.718  -4.250  -1.153
  391   3HG2  THR  58          3HG2      THR  58   3.341  -5.277  -0.756
  392    H    GLY  59           H        GLY  59   2.419  -0.829  -3.712
  393   1HA   GLY  59          HA2       GLY  59   1.730   0.059  -5.870
  394   2HA   GLY  59          HA1       GLY  59   1.875  -1.564  -6.545
  395    H    GLN  60           H        GLN  60   0.455  -2.917  -4.433
  396    HA   GLN  60           HA       GLN  60  -2.303  -2.034  -5.120
  397   1HB   GLN  60          HB2       GLN  60  -1.574  -4.639  -3.784
  398   2HB   GLN  60          HB1       GLN  60  -2.991  -4.265  -4.766
  399   1HG   GLN  60          HG2       GLN  60  -1.884  -5.111  -6.537
  400   2HG   GLN  60          HG1       GLN  60  -0.795  -3.727  -6.429
  401   1HE2  GLN  60          1HE2      GLN  60  -1.243  -6.832  -4.619
  402   2HE2  GLN  60          2HE2      GLN  60   0.412  -7.207  -4.577
  403    H    SER  61           H        SER  61  -0.052  -2.080  -2.545
  404    HA   SER  61           HA       SER  61  -2.007  -2.209  -0.383
  405   1HB   SER  61          HB2       SER  61   0.299  -2.875   0.049
  406   2HB   SER  61          HB1       SER  61   0.883  -1.288  -0.438
  407    HG   SER  61           HG       SER  61   0.362  -1.928   1.943
  408    H    ALA  62           H        ALA  62  -3.020  -0.486   0.624
  409    HA   ALA  62           HA       ALA  62  -2.826   2.131  -0.743
  410   1HB   ALA  62          HB1       ALA  62  -4.801   0.753   0.984
  411   2HB   ALA  62          HB2       ALA  62  -5.063   1.855  -0.368
  412   3HB   ALA  62          HB3       ALA  62  -4.673   2.494   1.229
  413    H    ASP  63           H        ASP  63  -2.277   0.702   2.461
  414    HA   ASP  63           HA       ASP  63  -1.228   3.313   3.418
  415   1HB   ASP  63          HB2       ASP  63  -1.578   0.714   4.940
  416   2HB   ASP  63          HB1       ASP  63  -1.220   2.296   5.632
  417    H    CYS  64           H        CYS  64   0.782   2.682   5.074
  418    HA   CYS  64           HA       CYS  64   2.663   1.017   3.465
  419   1HB   CYS  64          HB2       CYS  64   3.096   3.383   2.983
  420   2HB   CYS  64          HB1       CYS  64   3.262   3.722   4.702
  421    HA   PRO  65           HA       PRO  65   3.205  -0.778   7.443
  422   1HB   PRO  65          HB2       PRO  65   4.897  -2.730   6.541
  423   2HB   PRO  65          HB1       PRO  65   3.143  -2.814   6.371
  424   1HG   PRO  65          HG2       PRO  65   5.225  -2.285   4.316
  425   2HG   PRO  65          HG1       PRO  65   3.583  -2.917   4.111
  426   1HD   PRO  65          HD2       PRO  65   4.435  -0.264   3.597
  427   2HD   PRO  65          HD1       PRO  65   2.757  -0.840   3.656
  428    H    ARG  66           H        ARG  66   5.615  -1.984   8.183
  429    HA   ARG  66           HA       ARG  66   7.436   0.376   8.273
  430   1HB   ARG  66          HB2       ARG  66   6.737  -0.342  10.469
  431   2HB   ARG  66          HB1       ARG  66   7.130  -2.020  10.103
  432   1HG   ARG  66          HG2       ARG  66   8.894  -0.940  11.475
  433   2HG   ARG  66          HG1       ARG  66   9.506  -1.444   9.900
  434   1HD   ARG  66          HD2       ARG  66   9.704   0.724   9.125
  435   2HD   ARG  66          HD1       ARG  66   8.394   1.319  10.146
  436    HE   ARG  66           HE       ARG  66   9.953   1.556  11.950
  437   1HH1  ARG  66          1HH2      ARG  66  11.293  -0.828  10.024
  438   2HH1  ARG  66          2HH2      ARG  66  12.927  -0.269  10.153
  439   1HH2  ARG  66          1HH1      ARG  66  12.069   2.689  11.743
  440   2HH2  ARG  66          2HH1      ARG  66  13.367   1.722  11.128
  441    H    TYR  67           H        TYR  67   8.148  -3.079   8.774
  442    HA   TYR  67           HA       TYR  67  10.151  -2.860   6.559
  443   1HB   TYR  67          HB2       TYR  67  11.003  -2.987   9.012
  444   2HB   TYR  67          HB1       TYR  67  10.497  -4.675   8.942
  445    HD1  TYR  67           HD2      TYR  67  12.327  -2.208   6.775
  446    HD2  TYR  67           HD1      TYR  67  12.111  -6.218   8.299
  447    HE1  TYR  67           HE2      TYR  67  14.409  -2.784   5.557
  448    HE2  TYR  67           HE1      TYR  67  14.193  -6.795   7.082
  449    HH   TYR  67           HH       TYR  67  15.432  -5.034   4.625
  450    H    HIS  68           H        HIS  68   7.304  -4.288   7.434
  451    HA   HIS  68           HA       HIS  68   7.800  -6.548   5.570
  452   1HB   HIS  68          HB2       HIS  68   7.803  -7.001   8.271
  453   2HB   HIS  68          HB1       HIS  68   6.100  -7.242   7.882
  454    HD1  HIS  68           HD1      HIS  68   7.352  -9.773   8.653
  455    HD2  HIS  68           HD2      HIS  68   7.727  -8.339   4.757
  456    HE1  HIS  68           HE1      HIS  68   7.925 -11.772   7.206
  Start of MODEL    8
    1   1H    GLY   1          HT1       GLY   1  -8.198 -12.587   5.063
    2   2H    GLY   1          HT2       GLY   1  -9.697 -11.915   5.496
    3   3H    GLY   1          HT3       GLY   1  -8.516 -12.201   6.684
    4   1HA   GLY   1          HA1       GLY   1  -7.129 -10.492   5.886
    5   2HA   GLY   1          HA2       GLY   1  -8.096 -10.336   4.420
    6    H    LYS   2           H        LYS   2  -8.219  -8.018   5.165
    7    HA   LYS   2           HA       LYS   2 -10.018  -7.563   7.472
    8   1HB   LYS   2          HB2       LYS   2  -8.082  -5.962   5.933
    9   2HB   LYS   2          HB1       LYS   2  -9.555  -5.092   6.360
   10   1HG   LYS   2          HG2       LYS   2  -8.859  -4.892   8.488
   11   2HG   LYS   2          HG1       LYS   2  -8.693  -6.643   8.623
   12   1HD   LYS   2          HD2       LYS   2  -6.456  -6.431   8.622
   13   2HD   LYS   2          HD1       LYS   2  -6.531  -5.687   7.024
   14   1HE   LYS   2          HE2       LYS   2  -5.431  -4.158   8.584
   15   2HE   LYS   2          HE1       LYS   2  -6.990  -3.489   8.102
   16   1HZ   LYS   2          HZ1       LYS   2  -7.239  -3.278  10.314
   17   2HZ   LYS   2          HZ2       LYS   2  -6.122  -4.506  10.682
   18   3HZ   LYS   2          HZ3       LYS   2  -7.710  -4.906  10.225
   19    H    GLU   3           H        GLU   3 -11.871  -6.010   7.118
   20    HA   GLU   3           HA       GLU   3 -13.081  -6.397   4.405
   21   1HB   GLU   3          HB2       GLU   3 -14.574  -6.310   7.043
   22   2HB   GLU   3          HB1       GLU   3 -15.251  -6.661   5.452
   23   1HG   GLU   3          HG2       GLU   3 -12.984  -8.390   6.118
   24   2HG   GLU   3          HG1       GLU   3 -14.322  -8.553   7.256
   25    H    CYS   4           H        CYS   4 -11.659  -4.140   6.157
   26    HA   CYS   4           HA       CYS   4 -13.690  -2.066   5.452
   27   1HB   CYS   4          HB2       CYS   4 -11.654  -2.065   7.695
   28   2HB   CYS   4          HB1       CYS   4 -12.624  -0.664   7.243
   29    H    ASP   5           H        ASP   5 -13.025  -0.395   4.195
   30    HA   ASP   5           HA       ASP   5 -10.168  -0.418   3.316
   31   1HB   ASP   5          HB2       ASP   5 -12.336  -0.889   1.739
   32   2HB   ASP   5          HB1       ASP   5 -12.208   0.863   1.581
   33    H    CYS   6           H        CYS   6 -12.576   1.359   4.911
   34    HA   CYS   6           HA       CYS   6 -10.980   3.863   4.569
   35   1HB   CYS   6          HB2       CYS   6 -13.177   5.058   5.038
   36   2HB   CYS   6          HB1       CYS   6 -13.090   4.236   3.480
   37    H    SER   7           H        SER   7 -11.128   5.304   6.521
   38    HA   SER   7           HA       SER   7 -11.410   3.650   8.998
   39   1HB   SER   7          HB2       SER   7  -9.340   5.484   8.063
   40   2HB   SER   7          HB1       SER   7  -9.930   5.915   9.665
   41    HG   SER   7           HG       SER   7  -8.171   4.188   9.295
   42    H    SER   8           H        SER   8 -12.202   6.715   7.446
   43    HA   SER   8           HA       SER   8 -13.876   7.399   9.828
   44   1HB   SER   8          HB2       SER   8 -12.520   9.104   7.745
   45   2HB   SER   8          HB1       SER   8 -13.869   9.730   8.690
   46    HG   SER   8           HG       SER   8 -11.314   8.888   9.524
   47    HA   PRO   9           HA       PRO   9 -17.406   6.788   7.268
   48   1HB   PRO   9          HB2       PRO   9 -19.211   8.187   8.799
   49   2HB   PRO   9          HB1       PRO   9 -18.604   6.578   9.230
   50   1HG   PRO   9          HG2       PRO   9 -17.900   9.227  10.408
   51   2HG   PRO   9          HG1       PRO   9 -17.852   7.620  11.150
   52   1HD   PRO   9          HD2       PRO   9 -15.622   9.051  10.162
   53   2HD   PRO   9          HD1       PRO   9 -15.648   7.327  10.591
   54    H    GLU  10           H        GLU  10 -16.133   9.914   8.038
   55    HA   GLU  10           HA       GLU  10 -17.983  11.392   6.301
   56   1HB   GLU  10          HB2       GLU  10 -16.598  12.199   8.426
   57   2HB   GLU  10          HB1       GLU  10 -15.367  12.530   7.208
   58   1HG   GLU  10          HG2       GLU  10 -16.530  14.538   7.182
   59   2HG   GLU  10          HG1       GLU  10 -17.398  13.650   5.928
   60    H    ASN  11           H        ASN  11 -15.721   9.218   5.572
   61    HA   ASN  11           HA       ASN  11 -14.208  10.698   3.543
   62   1HB   ASN  11          HB2       ASN  11 -13.239   8.762   4.787
   63   2HB   ASN  11          HB1       ASN  11 -14.431   7.711   4.026
   64   1HD2  ASN  11          1HD2      ASN  11 -11.427   9.445   3.513
   65   2HD2  ASN  11          2HD2      ASN  11 -11.153   8.890   1.934
   66    HA   PRO  12           HA       PRO  12 -17.246  10.071   0.390
   67   1HB   PRO  12          HB2       PRO  12 -15.641  10.696  -1.755
   68   2HB   PRO  12          HB1       PRO  12 -16.338  11.911  -0.670
   69   1HG   PRO  12          HG2       PRO  12 -13.526  10.924  -0.825
   70   2HG   PRO  12          HG1       PRO  12 -14.137  12.494  -0.274
   71   1HD   PRO  12          HD2       PRO  12 -13.294  10.377   1.396
   72   2HD   PRO  12          HD1       PRO  12 -14.234  11.794   1.910
   73    H    CYS  13           H        CYS  13 -14.047   8.579   0.188
   74    HA   CYS  13           HA       CYS  13 -15.005   6.544  -1.725
   75   1HB   CYS  13          HB2       CYS  13 -12.365   7.354  -0.574
   76   2HB   CYS  13          HB1       CYS  13 -12.543   5.695  -1.146
   77    H    CYS  14           H        CYS  14 -16.047   6.782   1.100
   78    HA   CYS  14           HA       CYS  14 -15.245   4.054   2.034
   79   1HB   CYS  14          HB2       CYS  14 -14.541   5.738   3.642
   80   2HB   CYS  14          HB1       CYS  14 -16.150   6.459   3.643
   81    H    ASP  15           H        ASP  15 -16.951   2.728   2.891
   82    HA   ASP  15           HA       ASP  15 -19.712   3.662   2.236
   83   1HB   ASP  15          HB2       ASP  15 -18.637   2.009   0.549
   84   2HB   ASP  15          HB1       ASP  15 -18.831   0.806   1.825
   85    H    ALA  16           H        ALA  16 -20.377   3.963   4.357
   86    HA   ALA  16           HA       ALA  16 -19.665   2.500   6.635
   87   1HB   ALA  16          HB1       ALA  16 -21.402   3.587   7.698
   88   2HB   ALA  16          HB2       ALA  16 -22.526   3.311   6.368
   89   3HB   ALA  16          HB3       ALA  16 -21.307   4.578   6.241
   90    H    ALA  17           H        ALA  17 -21.822   1.592   4.034
   91    HA   ALA  17           HA       ALA  17 -23.382  -0.407   5.221
   92   1HB   ALA  17          HB1       ALA  17 -22.055  -0.880   2.556
   93   2HB   ALA  17          HB2       ALA  17 -23.269   0.386   2.740
   94   3HB   ALA  17          HB3       ALA  17 -23.692  -1.294   3.065
   95    H    THR  18           H        THR  18 -20.245  -1.005   3.587
   96    HA   THR  18           HA       THR  18 -19.848  -3.262   5.510
   97    HB   THR  18           HB       THR  18 -20.203  -4.145   3.270
   98    HG1  THR  18           HG1      THR  18 -17.785  -4.748   2.940
   99   1HG2  THR  18          1HG2      THR  18 -18.223  -3.378   1.618
  100   2HG2  THR  18          2HG2      THR  18 -18.398  -1.894   2.554
  101   3HG2  THR  18          3HG2      THR  18 -19.780  -2.552   1.678
  102    H    CYS  19           H        CYS  19 -19.029  -0.447   5.777
  103    HA   CYS  19           HA       CYS  19 -17.119   0.861   6.162
  104   1HB   CYS  19          HB2       CYS  19 -15.658  -0.092   7.763
  105   2HB   CYS  19          HB1       CYS  19 -17.191  -0.918   8.016
  106    H    LYS  20           H        LYS  20 -17.249  -0.542   3.497
  107    HA   LYS  20           HA       LYS  20 -14.307  -0.659   2.972
  108   1HB   LYS  20          HB2       LYS  20 -16.629  -2.047   1.648
  109   2HB   LYS  20          HB1       LYS  20 -15.084  -1.849   0.819
  110   1HG   LYS  20          HG2       LYS  20 -14.278  -2.762   3.282
  111   2HG   LYS  20          HG1       LYS  20 -15.794  -3.634   3.055
  112   1HD   LYS  20          HD2       LYS  20 -15.040  -4.514   0.927
  113   2HD   LYS  20          HD1       LYS  20 -13.585  -3.517   0.982
  114   1HE   LYS  20          HE2       LYS  20 -12.766  -4.722   2.923
  115   2HE   LYS  20          HE1       LYS  20 -14.271  -5.632   3.041
  116   1HZ   LYS  20          HZ1       LYS  20 -11.997  -6.167   1.454
  117   2HZ   LYS  20          HZ2       LYS  20 -13.352  -5.956   0.451
  118   3HZ   LYS  20          HZ3       LYS  20 -13.380  -7.120   1.689
  119    H    LEU  21           H        LEU  21 -14.231  -0.266   0.280
  120    HA   LEU  21           HA       LEU  21 -14.492   2.560   0.021
  121   1HB   LEU  21          HB2       LEU  21 -13.972   0.300  -1.867
  122   2HB   LEU  21          HB1       LEU  21 -14.405   1.869  -2.548
  123    HG   LEU  21           HG       LEU  21 -12.249   1.615  -0.451
  124   1HD1  LEU  21          1HD1      LEU  21 -10.842   0.682  -1.927
  125   2HD1  LEU  21          2HD1      LEU  21 -11.184   1.961  -3.091
  126   3HD1  LEU  21          3HD1      LEU  21 -12.177   0.505  -3.066
  127   1HD2  LEU  21          1HD2      LEU  21 -12.033   3.835  -0.791
  128   2HD2  LEU  21          2HD2      LEU  21 -13.522   3.761  -1.732
  129   3HD2  LEU  21          3HD2      LEU  21 -11.962   3.613  -2.540
  130    H    ARG  22           H        ARG  22 -16.013   3.810  -1.133
  131    HA   ARG  22           HA       ARG  22 -18.705   2.594  -1.260
  132   1HB   ARG  22          HB2       ARG  22 -17.744   5.128  -0.494
  133   2HB   ARG  22          HB1       ARG  22 -18.634   5.390  -1.995
  134   1HG   ARG  22          HG2       ARG  22 -19.852   3.620   0.091
  135   2HG   ARG  22          HG1       ARG  22 -19.896   5.365   0.342
  136   1HD   ARG  22          HD2       ARG  22 -21.225   5.739  -1.535
  137   2HD   ARG  22          HD1       ARG  22 -20.708   4.249  -2.323
  138    HE   ARG  22           HE       ARG  22 -22.066   3.341  -0.102
  139   1HH1  ARG  22          1HH1      ARG  22 -22.962   3.497  -3.117
  140   2HH1  ARG  22          2HH1      ARG  22 -24.561   4.126  -2.903
  141   1HH2  ARG  22          1HH2      ARG  22 -24.043   5.056   0.395
  142   2HH2  ARG  22          2HH2      ARG  22 -25.172   5.007  -0.917
  143    HA   PRO  23           HA       PRO  23 -18.244   4.185  -5.717
  144   1HB   PRO  23          HB2       PRO  23 -15.897   5.418  -6.440
  145   2HB   PRO  23          HB1       PRO  23 -17.287   6.282  -5.760
  146   1HG   PRO  23          HG2       PRO  23 -14.691   5.614  -4.477
  147   2HG   PRO  23          HG1       PRO  23 -15.846   6.893  -4.071
  148   1HD   PRO  23          HD2       PRO  23 -15.513   4.404  -2.722
  149   2HD   PRO  23          HD1       PRO  23 -16.792   5.603  -2.439
  150    H    GLY  24           H        GLY  24 -16.407   3.839  -7.694
  151   1HA   GLY  24          HA2       GLY  24 -15.547   1.043  -7.282
  152   2HA   GLY  24          HA1       GLY  24 -15.601   1.891  -8.828
  153    H    ALA  25           H        ALA  25 -14.095   3.205  -5.928
  154    HA   ALA  25           HA       ALA  25 -11.560   3.478  -7.396
  155   1HB   ALA  25          HB1       ALA  25 -11.577   5.355  -6.139
  156   2HB   ALA  25          HB2       ALA  25 -11.153   4.329  -4.769
  157   3HB   ALA  25          HB3       ALA  25 -12.843   4.721  -5.089
  158    H    GLN  26           H        GLN  26  -9.512   2.685  -6.472
  159    HA   GLN  26           HA       GLN  26  -9.742  -0.042  -5.502
  160   1HB   GLN  26          HB2       GLN  26  -7.694   1.619  -6.630
  161   2HB   GLN  26          HB1       GLN  26  -7.089   0.931  -5.123
  162   1HG   GLN  26          HG2       GLN  26  -6.676  -0.955  -6.291
  163   2HG   GLN  26          HG1       GLN  26  -8.424  -1.194  -6.329
  164   1HE2  GLN  26          1HE2      GLN  26  -5.658  -0.016  -8.214
  165   2HE2  GLN  26          2HE2      GLN  26  -6.477   0.051  -9.700
  166    H    CYS  27           H        CYS  27  -9.034   3.091  -4.051
  167    HA   CYS  27           HA       CYS  27  -9.560   1.952  -1.401
  168   1HB   CYS  27          HB2       CYS  27  -7.397   1.733  -0.791
  169   2HB   CYS  27          HB1       CYS  27  -6.855   2.373  -2.333
  170    H    GLY  28           H        GLY  28  -9.580   3.786   0.257
  171   1HA   GLY  28          HA2       GLY  28 -10.633   6.239  -1.078
  172   2HA   GLY  28          HA1       GLY  28 -11.137   5.681   0.517
  173    H    GLU  29           H        GLU  29  -8.477   5.029   1.429
  174    HA   GLU  29           HA       GLU  29  -6.993   7.577   1.273
  175   1HB   GLU  29          HB2       GLU  29  -7.127   8.074   3.575
  176   2HB   GLU  29          HB1       GLU  29  -8.776   7.639   3.140
  177   1HG   GLU  29          HG2       GLU  29  -8.622   6.229   4.923
  178   2HG   GLU  29          HG1       GLU  29  -7.762   5.191   3.784
  179    H    GLY  30           H        GLY  30  -4.771   7.321   1.872
  180   1HA   GLY  30          HA2       GLY  30  -3.523   5.302   3.272
  181   2HA   GLY  30          HA1       GLY  30  -3.804   4.569   1.693
  182    H    LEU  31           H        LEU  31  -1.228   5.242   2.913
  183    HA   LEU  31           HA       LEU  31  -0.031   7.605   1.987
  184   1HB   LEU  31          HB2       LEU  31   0.866   5.001   2.891
  185   2HB   LEU  31          HB1       LEU  31   1.881   5.579   1.574
  186    HG   LEU  31           HG       LEU  31   2.698   6.320   3.805
  187   1HD1  LEU  31          1HD1      LEU  31   1.654   8.711   2.287
  188   2HD1  LEU  31          2HD1      LEU  31   2.908   7.672   1.612
  189   3HD1  LEU  31          3HD1      LEU  31   3.196   8.531   3.123
  190   1HD2  LEU  31          1HD2      LEU  31   0.207   8.038   3.885
  191   2HD2  LEU  31          2HD2      LEU  31   1.418   7.833   5.151
  192   3HD2  LEU  31          3HD2      LEU  31   0.332   6.504   4.746
  193    H    CYS  32           H        CYS  32  -0.708   4.605   0.217
  194    HA   CYS  32           HA       CYS  32   0.301   5.957  -2.248
  195   1HB   CYS  32          HB2       CYS  32   0.126   3.041  -1.481
  196   2HB   CYS  32          HB1       CYS  32   0.392   3.564  -3.146
  197    H    CYS  33           H        CYS  33  -2.125   6.845  -1.727
  198    HA   CYS  33           HA       CYS  33  -3.892   5.245  -3.531
  199   1HB   CYS  33          HB2       CYS  33  -4.543   6.596  -0.916
  200   2HB   CYS  33          HB1       CYS  33  -5.795   6.328  -2.128
  201    H    GLU  34           H        GLU  34  -3.253   6.585  -5.300
  202    HA   GLU  34           HA       GLU  34  -3.732   9.493  -5.074
  203   1HB   GLU  34          HB2       GLU  34  -2.551   7.736  -7.239
  204   2HB   GLU  34          HB1       GLU  34  -2.884   9.451  -7.485
  205   1HG   GLU  34          HG2       GLU  34  -1.369  10.084  -5.732
  206   2HG   GLU  34          HG1       GLU  34  -1.196   8.412  -5.197
  207    H    GLN  35           H        GLN  35  -5.719  10.254  -5.551
  208    HA   GLN  35           HA       GLN  35  -7.786  10.473  -6.629
  209   1HB   GLN  35          HB2       GLN  35  -6.881   8.324  -8.550
  210   2HB   GLN  35          HB1       GLN  35  -8.044   9.620  -8.837
  211   1HG   GLN  35          HG2       GLN  35  -6.285  11.294  -8.729
  212   2HG   GLN  35          HG1       GLN  35  -5.100  10.071  -8.268
  213   1HE2  GLN  35          1HE2      GLN  35  -5.384  11.859 -10.786
  214   2HE2  GLN  35          2HE2      GLN  35  -5.255  10.760 -12.074
  215    H    CYS  36           H        CYS  36  -7.249   8.558  -4.484
  216    HA   CYS  36           HA       CYS  36  -8.431   6.884  -3.343
  217   1HB   CYS  36          HB2       CYS  36 -10.345   7.876  -5.381
  218   2HB   CYS  36          HB1       CYS  36 -10.680   6.276  -4.729
  219    H    LYS  37           H        LYS  37  -6.561   6.356  -5.686
  220    HA   LYS  37           HA       LYS  37  -7.450   3.543  -6.163
  221   1HB   LYS  37          HB2       LYS  37  -6.719   5.638  -8.097
  222   2HB   LYS  37          HB1       LYS  37  -5.861   4.115  -8.337
  223   1HG   LYS  37          HG2       LYS  37  -7.798   2.936  -8.800
  224   2HG   LYS  37          HG1       LYS  37  -8.807   4.005  -7.824
  225   1HD   LYS  37          HD2       LYS  37  -8.165   5.803  -9.627
  226   2HD   LYS  37          HD1       LYS  37  -7.799   4.397 -10.626
  227   1HE   LYS  37          HE2       LYS  37 -10.309   3.958  -9.307
  228   2HE   LYS  37          HE1       LYS  37 -10.351   5.535 -10.095
  229   1HZ   LYS  37          HZ1       LYS  37  -9.916   2.878 -11.289
  230   2HZ   LYS  37          HZ2       LYS  37  -9.319   4.266 -12.064
  231   3HZ   LYS  37          HZ3       LYS  37 -10.985   4.104 -11.771
  232    H    PHE  38           H        PHE  38  -5.659   2.023  -6.454
  233    HA   PHE  38           HA       PHE  38  -3.484   2.512  -4.624
  234   1HB   PHE  38          HB2       PHE  38  -3.979   0.348  -6.686
  235   2HB   PHE  38          HB1       PHE  38  -2.554   0.367  -5.653
  236    HD1  PHE  38           HD1      PHE  38  -4.790   1.848  -3.561
  237    HD2  PHE  38           HD2      PHE  38  -4.152  -1.965  -5.439
  238    HE1  PHE  38           HE1      PHE  38  -6.075   0.738  -1.757
  239    HE2  PHE  38           HE2      PHE  38  -5.441  -3.068  -3.633
  240    HZ   PHE  38           HZ       PHE  38  -6.402  -1.716  -1.792
  241    H    SER  39           H        SER  39  -1.511   3.407  -5.034
  242    HA   SER  39           HA       SER  39  -0.982   4.625  -7.603
  243   1HB   SER  39          HB2       SER  39   0.988   4.128  -5.352
  244   2HB   SER  39          HB1       SER  39   1.114   5.342  -6.623
  245    HG   SER  39           HG       SER  39  -1.141   5.259  -4.943
  246    H    ARG  40           H        ARG  40   2.015   3.679  -7.227
  247    HA   ARG  40           HA       ARG  40   1.619   1.129  -8.736
  248   1HB   ARG  40          HB2       ARG  40   3.246   3.517  -9.277
  249   2HB   ARG  40          HB1       ARG  40   4.143   2.005  -9.414
  250   1HG   ARG  40          HG2       ARG  40   2.905   1.270 -11.205
  251   2HG   ARG  40          HG1       ARG  40   1.434   2.072 -10.649
  252   1HD   ARG  40          HD2       ARG  40   1.856   3.877 -11.926
  253   2HD   ARG  40          HD1       ARG  40   3.487   4.021 -11.270
  254    HE   ARG  40           HE       ARG  40   2.783   2.819 -13.817
  255   1HH1  ARG  40          1HH2      ARG  40   5.382   4.208 -12.816
  256   2HH1  ARG  40          2HH2      ARG  40   6.503   2.897 -12.977
  257   1HH2  ARG  40          1HH1      ARG  40   4.039   0.480 -13.307
  258   2HH2  ARG  40          2HH1      ARG  40   5.742   0.786 -13.253
  259    H    ALA  41           H        ALA  41   3.781  -0.206  -8.641
  260    HA   ALA  41           HA       ALA  41   4.275  -0.778  -5.836
  261   1HB   ALA  41          HB1       ALA  41   6.017  -1.923  -7.975
  262   2HB   ALA  41          HB2       ALA  41   4.304  -2.342  -8.003
  263   3HB   ALA  41          HB3       ALA  41   5.280  -2.716  -6.583
  264    H    GLY  42           H        GLY  42   6.414  -0.741  -4.837
  265   1HA   GLY  42          HA1       GLY  42   8.502   0.226  -4.362
  266   2HA   GLY  42          HA2       GLY  42   8.634   0.653  -6.059
  267    H    LYS  43           H        LYS  43   5.815   1.642  -4.291
  268    HA   LYS  43           HA       LYS  43   6.406   4.445  -4.853
  269   1HB   LYS  43          HB2       LYS  43   4.059   3.509  -4.707
  270   2HB   LYS  43          HB1       LYS  43   4.315   3.316  -2.974
  271   1HG   LYS  43          HG2       LYS  43   4.648   5.971  -4.386
  272   2HG   LYS  43          HG1       LYS  43   3.137   5.451  -3.651
  273   1HD   LYS  43          HD2       LYS  43   4.583   5.033  -1.523
  274   2HD   LYS  43          HD1       LYS  43   5.738   6.111  -2.308
  275   1HE   LYS  43          HE2       LYS  43   2.912   7.022  -2.280
  276   2HE   LYS  43          HE1       LYS  43   3.747   7.015  -0.726
  277   1HZ   LYS  43          HZ1       LYS  43   5.303   8.078  -2.910
  278   2HZ   LYS  43          HZ2       LYS  43   5.071   8.688  -1.341
  279   3HZ   LYS  43          HZ3       LYS  43   3.916   8.985  -2.550
  280    H    ILE  44           H        ILE  44   8.009   5.413  -3.644
  281    HA   ILE  44           HA       ILE  44   8.824   4.405  -1.106
  282    HB   ILE  44           HB       ILE  44  10.335   5.797  -2.395
  283   1HG1  ILE  44          2HG1      ILE  44  10.980   7.453  -0.666
  284   2HG1  ILE  44          1HG1      ILE  44   9.417   7.230   0.120
  285   1HG2  ILE  44          1HG2      ILE  44   9.077   7.296  -3.636
  286   2HG2  ILE  44          2HG2      ILE  44   9.670   8.363  -2.363
  287   3HG2  ILE  44          3HG2      ILE  44   8.035   7.709  -2.276
  288   1HD1  ILE  44          1HD1      ILE  44  11.199   4.862  -0.416
  289   2HD1  ILE  44          2HD1      ILE  44   9.927   5.037   0.792
  290   3HD1  ILE  44          3HD1      ILE  44  11.465   5.873   1.005
  291    H    CYS  45           H        CYS  45   6.629   4.178  -0.170
  292    HA   CYS  45           HA       CYS  45   5.051   6.525   0.537
  293   1HB   CYS  45          HB2       CYS  45   3.869   4.867   2.021
  294   2HB   CYS  45          HB1       CYS  45   3.903   4.420   0.319
  295    H    ARG  46           H        ARG  46   7.737   4.857   1.820
  296    HA   ARG  46           HA       ARG  46   7.540   6.490   4.326
  297   1HB   ARG  46          HB2       ARG  46   7.364   3.897   4.505
  298   2HB   ARG  46          HB1       ARG  46   9.095   3.914   4.163
  299   1HG   ARG  46          HG2       ARG  46   9.539   4.482   6.290
  300   2HG   ARG  46          HG1       ARG  46   8.526   5.918   6.136
  301   1HD   ARG  46          HD2       ARG  46   6.519   4.482   6.577
  302   2HD   ARG  46          HD1       ARG  46   7.608   3.129   6.885
  303    HE   ARG  46           HE       ARG  46   7.380   5.566   8.584
  304   1HH1  ARG  46          1HH1      ARG  46   9.929   3.643   8.090
  305   2HH1  ARG  46          2HH1      ARG  46   9.916   2.832   9.620
  306   1HH2  ARG  46          1HH2      ARG  46   6.768   3.988  10.502
  307   2HH2  ARG  46          2HH2      ARG  46   8.124   3.027  10.987
  308    H    ILE  47           H        ILE  47   8.886   8.194   3.805
  309    HA   ILE  47           HA       ILE  47  11.342   7.778   2.285
  310    HB   ILE  47           HB       ILE  47  11.769  10.191   2.886
  311   1HG1  ILE  47          2HG1      ILE  47   8.994  10.086   4.080
  312   2HG1  ILE  47          1HG1      ILE  47  10.454   9.957   5.066
  313   1HG2  ILE  47          1HG2      ILE  47   9.361  10.845   1.810
  314   2HG2  ILE  47          2HG2      ILE  47   9.432   9.125   1.422
  315   3HG2  ILE  47          3HG2      ILE  47  10.711  10.207   0.872
  316   1HD1  ILE  47          1HD1      ILE  47   9.257  12.328   4.393
  317   2HD1  ILE  47          2HD1      ILE  47  10.484  12.185   3.133
  318   3HD1  ILE  47          3HD1      ILE  47  10.957  12.161   4.832
  319    H    ALA  48           H        ALA  48  13.472   8.205   3.139
  320    HA   ALA  48           HA       ALA  48  13.689   7.513   6.035
  321   1HB   ALA  48          HB1       ALA  48  14.709   5.921   4.383
  322   2HB   ALA  48          HB2       ALA  48  15.886   6.612   5.499
  323   3HB   ALA  48          HB3       ALA  48  15.770   7.223   3.848
  324    H    ARG  49           H        ARG  49  13.269  10.181   4.715
  325    HA   ARG  49           HA       ARG  49  15.769  11.627   4.936
  326   1HB   ARG  49          HB2       ARG  49  13.081  12.177   4.079
  327   2HB   ARG  49          HB1       ARG  49  13.600  13.426   5.212
  328   1HG   ARG  49          HG2       ARG  49  15.071  14.294   3.732
  329   2HG   ARG  49          HG1       ARG  49  15.705  12.701   3.318
  330   1HD   ARG  49          HD2       ARG  49  14.634  12.876   1.344
  331   2HD   ARG  49          HD1       ARG  49  13.115  12.760   2.233
  332    HE   ARG  49           HE       ARG  49  13.359  15.338   2.449
  333   1HH1  ARG  49          1HH1      ARG  49  12.395  14.119  -0.225
  334   2HH1  ARG  49          2HH1      ARG  49  13.298  15.080  -1.349
  335   1HH2  ARG  49          1HH2      ARG  49  15.490  16.293   1.049
  336   2HH2  ARG  49          2HH2      ARG  49  15.050  16.313  -0.626
  337    H    GLY  50           H        GLY  50  16.166  10.641   7.194
  338   1HA   GLY  50          HA2       GLY  50  16.267  12.433   9.217
  339   2HA   GLY  50          HA1       GLY  50  14.598  11.885   9.356
  340    H    ASP  51           H        ASP  51  14.648  10.611  11.171
  341    HA   ASP  51           HA       ASP  51  16.834   8.609  11.436
  342   1HB   ASP  51          HB2       ASP  51  15.972   8.335  13.752
  343   2HB   ASP  51          HB1       ASP  51  16.405  10.009  13.404
  344    H    MET  52           H        MET  52  15.277   7.831   9.417
  345    HA   MET  52           HA       MET  52  13.927   5.455  10.502
  346   1HB   MET  52          HB2       MET  52  11.868   5.942   9.076
  347   2HB   MET  52          HB1       MET  52  12.038   6.932  10.526
  348   1HG   MET  52          HG2       MET  52  13.470   8.321   8.567
  349   2HG   MET  52          HG1       MET  52  12.025   7.750   7.733
  350   1HE   MET  52          HE1       MET  52   9.247   8.560  10.051
  351   2HE   MET  52          HE2       MET  52   9.955   7.552   8.791
  352   3HE   MET  52          HE3       MET  52   9.363   9.162   8.392
  353    HA   PRO  53           HA       PRO  53  15.516   3.835   6.744
  354   1HB   PRO  53          HB2       PRO  53  13.957   1.576   6.572
  355   2HB   PRO  53          HB1       PRO  53  15.301   1.752   7.714
  356   1HG   PRO  53          HG2       PRO  53  12.368   1.856   8.240
  357   2HG   PRO  53          HG1       PRO  53  13.689   1.402   9.330
  358   1HD   PRO  53          HD2       PRO  53  12.339   3.892   9.306
  359   2HD   PRO  53          HD1       PRO  53  13.860   3.536  10.153
  360    H    ASP  54           H        ASP  54  14.453   2.711   4.611
  361    HA   ASP  54           HA       ASP  54  12.264   4.564   3.773
  362   1HB   ASP  54          HB2       ASP  54  13.146   3.533   1.431
  363   2HB   ASP  54          HB1       ASP  54  13.834   4.983   2.160
  364    H    ASP  55           H        ASP  55  10.421   3.737   2.789
  365    HA   ASP  55           HA       ASP  55  10.230   0.777   2.497
  366   1HB   ASP  55          HB2       ASP  55   9.236   1.824   4.724
  367   2HB   ASP  55          HB1       ASP  55   7.902   2.268   3.658
  368    H    ARG  56           H        ARG  56   8.937   0.163   0.725
  369    HA   ARG  56           HA       ARG  56   7.678   2.423  -0.741
  370   1HB   ARG  56          HB2       ARG  56   9.170   0.043  -1.861
  371   2HB   ARG  56          HB1       ARG  56   8.276   1.208  -2.835
  372   1HG   ARG  56          HG2       ARG  56   9.726   2.998  -2.215
  373   2HG   ARG  56          HG1       ARG  56  10.458   2.048  -0.922
  374   1HD   ARG  56          HD2       ARG  56  11.043   0.411  -2.941
  375   2HD   ARG  56          HD1       ARG  56  10.915   1.903  -3.873
  376    HE   ARG  56           HE       ARG  56  12.552   2.701  -1.867
  377   1HH1  ARG  56          1HH1      ARG  56  12.650   0.389  -4.371
  378   2HH1  ARG  56          2HH1      ARG  56  14.277  -0.110  -4.050
  379   1HH2  ARG  56          1HH2      ARG  56  14.590   1.830  -1.194
  380   2HH2  ARG  56          2HH2      ARG  56  15.376   0.707  -2.253
  381    H    CYS  57           H        CYS  57   5.692   1.987  -1.800
  382    HA   CYS  57           HA       CYS  57   4.084  -0.122  -0.613
  383   1HB   CYS  57          HB2       CYS  57   3.522   1.747  -2.931
  384   2HB   CYS  57          HB1       CYS  57   2.340   0.641  -2.252
  385    H    THR  58           H        THR  58   2.991  -1.814  -1.851
  386    HA   THR  58           HA       THR  58   4.810  -3.009  -3.853
  387    HB   THR  58           HB       THR  58   3.872  -5.064  -3.292
  388    HG1  THR  58           HG1      THR  58   1.759  -5.269  -2.588
  389   1HG2  THR  58          1HG2      THR  58   3.298  -3.364  -0.850
  390   2HG2  THR  58          2HG2      THR  58   4.878  -4.014  -1.283
  391   3HG2  THR  58          3HG2      THR  58   3.561  -5.108  -0.861
  392    H    GLY  59           H        GLY  59   2.388  -0.859  -4.041
  393   1HA   GLY  59          HA2       GLY  59   1.331  -0.150  -6.068
  394   2HA   GLY  59          HA1       GLY  59   1.688  -1.726  -6.776
  395    H    GLN  60           H        GLN  60   0.614  -3.256  -4.544
  396    HA   GLN  60           HA       GLN  60  -2.271  -2.891  -5.155
  397   1HB   GLN  60          HB2       GLN  60  -1.099  -5.219  -3.644
  398   2HB   GLN  60          HB1       GLN  60  -2.554  -5.169  -4.638
  399   1HG   GLN  60          HG2       GLN  60  -1.122  -4.801  -6.649
  400   2HG   GLN  60          HG1       GLN  60   0.305  -4.988  -5.628
  401   1HE2  GLN  60          1HE2      GLN  60  -2.796  -6.827  -5.646
  402   2HE2  GLN  60          2HE2      GLN  60  -2.067  -8.341  -5.886
  403    H    SER  61           H        SER  61  -0.063  -2.065  -2.772
  404    HA   SER  61           HA       SER  61  -2.061  -2.325  -0.576
  405   1HB   SER  61          HB2       SER  61   0.766  -1.297  -0.304
  406   2HB   SER  61          HB1       SER  61  -0.271  -1.982   0.945
  407    HG   SER  61           HG       SER  61   1.424  -3.374  -0.046
  408    H    ALA  62           H        ALA  62  -2.916  -0.496   0.444
  409    HA   ALA  62           HA       ALA  62  -2.579   2.047  -1.045
  410   1HB   ALA  62          HB1       ALA  62  -4.646   0.908   0.794
  411   2HB   ALA  62          HB2       ALA  62  -4.854   1.741  -0.747
  412   3HB   ALA  62          HB3       ALA  62  -4.488   2.662   0.711
  413    H    ASP  63           H        ASP  63  -2.578   0.924   2.359
  414    HA   ASP  63           HA       ASP  63  -1.371   3.429   3.267
  415   1HB   ASP  63          HB2       ASP  63  -1.840   0.782   4.675
  416   2HB   ASP  63          HB1       ASP  63  -1.233   2.237   5.465
  417    H    CYS  64           H        CYS  64   0.659   2.865   4.903
  418    HA   CYS  64           HA       CYS  64   2.579   1.255   3.283
  419   1HB   CYS  64          HB2       CYS  64   2.903   3.652   2.837
  420   2HB   CYS  64          HB1       CYS  64   3.141   3.952   4.552
  421    HA   PRO  65           HA       PRO  65   3.160  -0.517   7.279
  422   1HB   PRO  65          HB2       PRO  65   4.713  -2.562   6.335
  423   2HB   PRO  65          HB1       PRO  65   2.952  -2.562   6.242
  424   1HG   PRO  65          HG2       PRO  65   4.960  -2.188   4.089
  425   2HG   PRO  65          HG1       PRO  65   3.270  -2.707   3.968
  426   1HD   PRO  65          HD2       PRO  65   4.299  -0.113   3.400
  427   2HD   PRO  65          HD1       PRO  65   2.588  -0.585   3.480
  428    H    ARG  66           H        ARG  66   5.418  -1.684   8.154
  429    HA   ARG  66           HA       ARG  66   7.482   0.458   7.893
  430   1HB   ARG  66          HB2       ARG  66   7.403  -1.646  10.056
  431   2HB   ARG  66          HB1       ARG  66   8.182  -0.064  10.091
  432   1HG   ARG  66          HG2       ARG  66   6.136   1.076  10.344
  433   2HG   ARG  66          HG1       ARG  66   5.194  -0.305   9.780
  434   1HD   ARG  66          HD2       ARG  66   5.084   0.042  12.270
  435   2HD   ARG  66          HD1       ARG  66   5.690  -1.547  11.801
  436    HE   ARG  66           HE       ARG  66   7.972  -0.729  12.332
  437   1HH1  ARG  66          1HH1      ARG  66   5.447   0.064  14.309
  438   2HH1  ARG  66          2HH1      ARG  66   6.221   1.396  15.100
  439   1HH2  ARG  66          1HH2      ARG  66   8.913   1.476  12.917
  440   2HH2  ARG  66          2HH2      ARG  66   8.181   2.198  14.310
  441    H    TYR  67           H        TYR  67   9.606  -1.108   8.999
  442    HA   TYR  67           HA       TYR  67  10.019  -3.095   6.799
  443   1HB   TYR  67          HB2       TYR  67  11.454  -1.134   6.488
  444   2HB   TYR  67          HB1       TYR  67  12.053  -1.289   8.140
  445    HD1  TYR  67           HD1      TYR  67  11.784  -3.153   4.909
  446    HD2  TYR  67           HD2      TYR  67  13.906  -2.665   8.612
  447    HE1  TYR  67           HE1      TYR  67  13.509  -4.755   4.130
  448    HE2  TYR  67           HE2      TYR  67  15.631  -4.267   7.833
  449    HH   TYR  67           HH       TYR  67  15.252  -6.050   4.809
  450    H    HIS  68           H        HIS  68   9.152  -4.718   8.306
  451    HA   HIS  68           HA       HIS  68  10.671  -5.231  10.771
  452   1HB   HIS  68          HB2       HIS  68   8.129  -5.634  10.370
  453   2HB   HIS  68          HB1       HIS  68   8.650  -7.109   9.555
  454    HD1  HIS  68           HD1      HIS  68   7.342  -8.251  11.676
  455    HD2  HIS  68           HD2      HIS  68  10.942  -6.327  12.523
  456    HE1  HIS  68           HE1      HIS  68   8.085  -9.089  13.947
  Start of MODEL    9
    1   1H    GLY   1          HT1       GLY   1  -7.512  -3.649  11.919
    2   2H    GLY   1          HT2       GLY   1  -8.310  -2.176  12.201
    3   3H    GLY   1          HT3       GLY   1  -6.622  -2.206  12.001
    4   1HA   GLY   1          HA1       GLY   1  -8.528  -1.783  10.048
    5   2HA   GLY   1          HA2       GLY   1  -6.794  -2.013   9.815
    6    H    LYS   2           H        LYS   2  -9.919  -3.636   9.862
    7    HA   LYS   2           HA       LYS   2  -8.614  -6.045   8.673
    8   1HB   LYS   2          HB2       LYS   2 -11.179  -5.693  10.228
    9   2HB   LYS   2          HB1       LYS   2 -10.847  -7.147   9.286
   10   1HG   LYS   2          HG2       LYS   2  -8.509  -6.597  10.799
   11   2HG   LYS   2          HG1       LYS   2  -9.879  -6.457  11.902
   12   1HD   LYS   2          HD2       LYS   2 -10.340  -8.723  10.231
   13   2HD   LYS   2          HD1       LYS   2  -8.693  -8.838  10.850
   14   1HE   LYS   2          HE2       LYS   2 -11.211  -8.455  12.493
   15   2HE   LYS   2          HE1       LYS   2 -10.204  -9.902  12.436
   16   1HZ   LYS   2          HZ1       LYS   2  -9.036  -9.026  14.084
   17   2HZ   LYS   2          HZ2       LYS   2  -9.869  -7.549  13.984
   18   3HZ   LYS   2          HZ3       LYS   2  -8.497  -7.821  13.019
   19    H    GLU   3           H        GLU   3 -12.037  -5.493   8.416
   20    HA   GLU   3           HA       GLU   3 -11.782  -5.472   5.481
   21   1HB   GLU   3          HB2       GLU   3 -14.138  -5.868   5.432
   22   2HB   GLU   3          HB1       GLU   3 -13.516  -6.836   6.768
   23   1HG   GLU   3          HG2       GLU   3 -14.190  -5.128   8.375
   24   2HG   GLU   3          HG1       GLU   3 -14.719  -4.070   7.066
   25    H    CYS   4           H        CYS   4 -11.550  -3.134   7.755
   26    HA   CYS   4           HA       CYS   4 -13.295  -1.110   6.570
   27   1HB   CYS   4          HB2       CYS   4 -11.164  -1.119   8.677
   28   2HB   CYS   4          HB1       CYS   4 -11.732   0.410   8.030
   29    H    ASP   5           H        ASP   5 -12.797  -0.010   4.733
   30    HA   ASP   5           HA       ASP   5 -10.025  -0.163   3.696
   31   1HB   ASP   5          HB2       ASP   5 -12.143  -0.574   2.262
   32   2HB   ASP   5          HB1       ASP   5 -12.355   1.176   2.310
   33    H    CYS   6           H        CYS   6 -12.246   2.069   5.170
   34    HA   CYS   6           HA       CYS   6 -10.204   4.233   4.829
   35   1HB   CYS   6          HB2       CYS   6 -11.944   5.862   4.704
   36   2HB   CYS   6          HB1       CYS   6 -12.457   4.556   3.638
   37    H    SER   7           H        SER   7 -10.651   5.972   6.686
   38    HA   SER   7           HA       SER   7 -11.028   4.444   9.229
   39   1HB   SER   7          HB2       SER   7  -9.470   6.325  10.143
   40   2HB   SER   7          HB1       SER   7  -8.749   5.002   9.231
   41    HG   SER   7           HG       SER   7  -8.716   7.606   8.694
   42    H    SER   8           H        SER   8 -12.384   6.762   7.282
   43    HA   SER   8           HA       SER   8 -13.723   8.033   9.628
   44   1HB   SER   8          HB2       SER   8 -13.823   9.837   7.438
   45   2HB   SER   8          HB1       SER   8 -12.963  10.044   8.962
   46    HG   SER   8           HG       SER   8 -11.972   9.624   6.525
   47    HA   PRO   9           HA       PRO   9 -17.322   6.618   7.486
   48   1HB   PRO   9          HB2       PRO   9 -19.163   7.908   9.065
   49   2HB   PRO   9          HB1       PRO   9 -18.306   6.437   9.559
   50   1HG   PRO   9          HG2       PRO   9 -17.886   9.246  10.464
   51   2HG   PRO   9          HG1       PRO   9 -17.527   7.730  11.308
   52   1HD   PRO   9          HD2       PRO   9 -15.649   9.385   9.970
   53   2HD   PRO   9          HD1       PRO   9 -15.361   7.735  10.560
   54    H    GLU  10           H        GLU  10 -16.502   9.983   7.870
   55    HA   GLU  10           HA       GLU  10 -18.698  10.903   6.127
   56   1HB   GLU  10          HB2       GLU  10 -16.733  12.138   7.919
   57   2HB   GLU  10          HB1       GLU  10 -16.927  13.017   6.402
   58   1HG   GLU  10          HG2       GLU  10 -19.475  12.752   6.820
   59   2HG   GLU  10          HG1       GLU  10 -19.014  12.377   8.481
   60    H    ASN  11           H        ASN  11 -16.270   9.095   5.344
   61    HA   ASN  11           HA       ASN  11 -14.984  10.742   3.270
   62   1HB   ASN  11          HB2       ASN  11 -13.771   8.950   4.585
   63   2HB   ASN  11          HB1       ASN  11 -14.746   7.755   3.730
   64   1HD2  ASN  11          1HD2      ASN  11 -11.825   9.467   3.577
   65   2HD2  ASN  11          2HD2      ASN  11 -11.493   9.249   1.927
   66    HA   PRO  12           HA       PRO  12 -17.963   9.615   0.206
   67   1HB   PRO  12          HB2       PRO  12 -16.520  10.445  -1.985
   68   2HB   PRO  12          HB1       PRO  12 -17.372  11.553  -0.895
   69   1HG   PRO  12          HG2       PRO  12 -14.446  11.008  -1.108
   70   2HG   PRO  12          HG1       PRO  12 -15.279  12.471  -0.556
   71   1HD   PRO  12          HD2       PRO  12 -14.085  10.528   1.110
   72   2HD   PRO  12          HD1       PRO  12 -15.217  11.792   1.635
   73    H    CYS  13           H        CYS  13 -14.570   8.621  -0.135
   74    HA   CYS  13           HA       CYS  13 -15.279   6.445  -1.989
   75   1HB   CYS  13          HB2       CYS  13 -12.765   7.632  -0.892
   76   2HB   CYS  13          HB1       CYS  13 -12.707   5.954  -1.428
   77    H    CYS  14           H        CYS  14 -16.433   6.415   0.735
   78    HA   CYS  14           HA       CYS  14 -15.306   3.788   1.579
   79   1HB   CYS  14          HB2       CYS  14 -14.506   5.767   3.011
   80   2HB   CYS  14          HB1       CYS  14 -16.171   5.872   3.583
   81    H    ASP  15           H        ASP  15 -16.815   2.357   2.442
   82    HA   ASP  15           HA       ASP  15 -19.675   3.201   2.244
   83   1HB   ASP  15          HB2       ASP  15 -18.592   1.332   0.691
   84   2HB   ASP  15          HB1       ASP  15 -18.842   0.325   2.114
   85    H    ALA  16           H        ALA  16 -20.276   3.605   4.337
   86    HA   ALA  16           HA       ALA  16 -19.129   2.430   6.659
   87   1HB   ALA  16          HB1       ALA  16 -20.564   3.798   7.758
   88   2HB   ALA  16          HB2       ALA  16 -21.967   3.125   6.928
   89   3HB   ALA  16          HB3       ALA  16 -21.013   4.393   6.160
   90    H    ALA  17           H        ALA  17 -21.497   1.231   4.420
   91    HA   ALA  17           HA       ALA  17 -22.849  -0.650   6.066
   92   1HB   ALA  17          HB1       ALA  17 -22.089  -1.125   3.175
   93   2HB   ALA  17          HB2       ALA  17 -23.382  -0.023   3.647
   94   3HB   ALA  17          HB3       ALA  17 -23.500  -1.739   4.036
   95    H    THR  18           H        THR  18 -19.713  -0.802   4.436
   96    HA   THR  18           HA       THR  18 -19.177  -3.321   5.950
   97    HB   THR  18           HB       THR  18 -19.416  -4.121   3.743
   98    HG1  THR  18           HG1      THR  18 -16.707  -3.450   3.589
   99   1HG2  THR  18          1HG2      THR  18 -18.201  -2.875   1.837
  100   2HG2  THR  18          2HG2      THR  18 -18.094  -1.524   2.966
  101   3HG2  THR  18          3HG2      THR  18 -19.671  -2.142   2.476
  102    H    CYS  19           H        CYS  19 -18.401  -0.171   5.736
  103    HA   CYS  19           HA       CYS  19 -16.536   1.048   6.520
  104   1HB   CYS  19          HB2       CYS  19 -16.484  -1.094   8.091
  105   2HB   CYS  19          HB1       CYS  19 -15.074  -1.482   7.138
  106    H    LYS  20           H        LYS  20 -16.636  -0.731   3.843
  107    HA   LYS  20           HA       LYS  20 -13.735  -0.453   3.237
  108   1HB   LYS  20          HB2       LYS  20 -15.854  -2.291   2.376
  109   2HB   LYS  20          HB1       LYS  20 -14.825  -1.719   1.065
  110   1HG   LYS  20          HG2       LYS  20 -12.961  -2.247   2.987
  111   2HG   LYS  20          HG1       LYS  20 -14.168  -3.485   3.339
  112   1HD   LYS  20          HD2       LYS  20 -14.098  -3.755   0.676
  113   2HD   LYS  20          HD1       LYS  20 -12.464  -3.135   0.918
  114   1HE   LYS  20          HE2       LYS  20 -13.535  -5.386   2.614
  115   2HE   LYS  20          HE1       LYS  20 -12.810  -5.703   1.038
  116   1HZ   LYS  20          HZ1       LYS  20 -10.844  -4.428   1.811
  117   2HZ   LYS  20          HZ2       LYS  20 -11.117  -5.862   2.681
  118   3HZ   LYS  20          HZ3       LYS  20 -11.537  -4.361   3.358
  119    H    LEU  21           H        LEU  21 -14.004  -0.277   0.395
  120    HA   LEU  21           HA       LEU  21 -14.415   2.563   0.131
  121   1HB   LEU  21          HB2       LEU  21 -13.871   0.315  -1.782
  122   2HB   LEU  21          HB1       LEU  21 -14.306   1.909  -2.397
  123    HG   LEU  21           HG       LEU  21 -12.149   1.645  -0.320
  124   1HD1  LEU  21          1HD1      LEU  21 -12.063   0.356  -2.819
  125   2HD1  LEU  21          2HD1      LEU  21 -10.704   0.678  -1.743
  126   3HD1  LEU  21          3HD1      LEU  21 -11.118   1.831  -3.012
  127   1HD2  LEU  21          1HD2      LEU  21 -13.357   3.730  -1.831
  128   2HD2  LEU  21          2HD2      LEU  21 -11.708   3.544  -2.430
  129   3HD2  LEU  21          3HD2      LEU  21 -11.995   3.856  -0.717
  130    H    ARG  22           H        ARG  22 -16.099   3.669  -0.869
  131    HA   ARG  22           HA       ARG  22 -18.678   2.250  -0.917
  132   1HB   ARG  22          HB2       ARG  22 -19.096   4.295   0.033
  133   2HB   ARG  22          HB1       ARG  22 -17.800   5.095  -0.845
  134   1HG   ARG  22          HG2       ARG  22 -19.143   5.233  -2.847
  135   2HG   ARG  22          HG1       ARG  22 -20.383   4.189  -2.150
  136   1HD   ARG  22          HD2       ARG  22 -20.457   6.044  -0.272
  137   2HD   ARG  22          HD1       ARG  22 -19.754   7.057  -1.533
  138    HE   ARG  22           HE       ARG  22 -22.430   5.750  -1.685
  139   1HH1  ARG  22          1HH1      ARG  22 -20.641   6.408  -4.198
  140   2HH1  ARG  22          2HH1      ARG  22 -21.416   7.866  -4.718
  141   1HH2  ARG  22          1HH2      ARG  22 -23.181   8.296  -1.763
  142   2HH2  ARG  22          2HH2      ARG  22 -22.853   8.935  -3.341
  143    HA   PRO  23           HA       PRO  23 -18.309   3.514  -5.496
  144   1HB   PRO  23          HB2       PRO  23 -15.964   4.662  -6.338
  145   2HB   PRO  23          HB1       PRO  23 -17.337   5.595  -5.716
  146   1HG   PRO  23          HG2       PRO  23 -14.736   4.997  -4.407
  147   2HG   PRO  23          HG1       PRO  23 -15.866   6.326  -4.101
  148   1HD   PRO  23          HD2       PRO  23 -15.560   3.956  -2.547
  149   2HD   PRO  23          HD1       PRO  23 -16.823   5.191  -2.363
  150    H    GLY  24           H        GLY  24 -16.446   3.005  -7.437
  151   1HA   GLY  24          HA2       GLY  24 -15.588   0.250  -6.775
  152   2HA   GLY  24          HA1       GLY  24 -15.640   0.955  -8.391
  153    H    ALA  25           H        ALA  25 -14.259   2.910  -5.933
  154    HA   ALA  25           HA       ALA  25 -11.707   3.040  -7.260
  155   1HB   ALA  25          HB1       ALA  25 -11.852   4.968  -6.075
  156   2HB   ALA  25          HB2       ALA  25 -11.293   4.020  -4.697
  157   3HB   ALA  25          HB3       ALA  25 -13.020   4.278  -4.947
  158    H    GLN  26           H        GLN  26  -9.649   2.276  -6.457
  159    HA   GLN  26           HA       GLN  26  -9.765  -0.372  -5.287
  160   1HB   GLN  26          HB2       GLN  26  -7.842   1.217  -6.664
  161   2HB   GLN  26          HB1       GLN  26  -7.125   0.737  -5.127
  162   1HG   GLN  26          HG2       GLN  26  -6.958  -1.426  -5.764
  163   2HG   GLN  26          HG1       GLN  26  -8.596  -1.441  -6.417
  164   1HE2  GLN  26          1HE2      GLN  26  -8.652   0.197  -8.523
  165   2HE2  GLN  26          2HE2      GLN  26  -7.433  -0.142  -9.655
  166    H    CYS  27           H        CYS  27  -9.024   2.863  -4.097
  167    HA   CYS  27           HA       CYS  27  -9.384   1.920  -1.340
  168   1HB   CYS  27          HB2       CYS  27  -7.116   1.589  -1.155
  169   2HB   CYS  27          HB1       CYS  27  -6.743   2.660  -2.499
  170    H    GLY  28           H        GLY  28  -9.818   3.677   0.113
  171   1HA   GLY  28          HA2       GLY  28 -10.683   6.146  -1.297
  172   2HA   GLY  28          HA1       GLY  28 -11.237   5.635   0.296
  173    H    GLU  29           H        GLU  29  -8.676   4.975   1.341
  174    HA   GLU  29           HA       GLU  29  -7.079   7.450   1.151
  175   1HB   GLU  29          HB2       GLU  29  -7.275   8.018   3.440
  176   2HB   GLU  29          HB1       GLU  29  -8.924   7.699   2.920
  177   1HG   GLU  29          HG2       GLU  29  -8.835   6.451   4.881
  178   2HG   GLU  29          HG1       GLU  29  -8.374   5.238   3.687
  179    H    GLY  30           H        GLY  30  -4.906   7.131   1.982
  180   1HA   GLY  30          HA2       GLY  30  -3.862   5.053   3.458
  181   2HA   GLY  30          HA1       GLY  30  -4.050   4.338   1.856
  182    H    LEU  31           H        LEU  31  -1.512   4.468   2.753
  183    HA   LEU  31           HA       LEU  31  -0.088   6.898   2.255
  184   1HB   LEU  31          HB2       LEU  31   0.570   4.091   2.743
  185   2HB   LEU  31          HB1       LEU  31   1.677   4.843   1.601
  186    HG   LEU  31           HG       LEU  31   2.331   5.060   4.047
  187   1HD1  LEU  31          1HD1      LEU  31   1.841   7.572   2.418
  188   2HD1  LEU  31          2HD1      LEU  31   3.275   6.546   2.359
  189   3HD1  LEU  31          3HD1      LEU  31   2.917   7.477   3.813
  190   1HD2  LEU  31          1HD2      LEU  31   0.313   7.265   4.232
  191   2HD2  LEU  31          2HD2      LEU  31   1.054   6.313   5.520
  192   3HD2  LEU  31          3HD2      LEU  31  -0.228   5.614   4.533
  193    H    CYS  32           H        CYS  32  -1.028   4.215   0.134
  194    HA   CYS  32           HA       CYS  32  -0.029   5.841  -2.169
  195   1HB   CYS  32          HB2       CYS  32  -0.022   2.880  -1.661
  196   2HB   CYS  32          HB1       CYS  32  -0.057   3.485  -3.317
  197    H    CYS  33           H        CYS  33  -2.327   6.773  -1.773
  198    HA   CYS  33           HA       CYS  33  -4.219   5.211  -3.473
  199   1HB   CYS  33          HB2       CYS  33  -4.840   6.702  -0.913
  200   2HB   CYS  33          HB1       CYS  33  -6.074   6.116  -2.026
  201    H    GLU  34           H        GLU  34  -3.780   6.525  -5.290
  202    HA   GLU  34           HA       GLU  34  -4.244   9.449  -4.985
  203   1HB   GLU  34          HB2       GLU  34  -2.838   7.749  -7.031
  204   2HB   GLU  34          HB1       GLU  34  -3.416   9.356  -7.473
  205   1HG   GLU  34          HG2       GLU  34  -2.092   9.487  -4.920
  206   2HG   GLU  34          HG1       GLU  34  -1.030   8.706  -6.094
  207    H    GLN  35           H        GLN  35  -6.128  10.304  -5.747
  208    HA   GLN  35           HA       GLN  35  -8.224  10.399  -6.787
  209   1HB   GLN  35          HB2       GLN  35  -6.526   8.823  -8.657
  210   2HB   GLN  35          HB1       GLN  35  -8.271   8.714  -8.896
  211   1HG   GLN  35          HG2       GLN  35  -7.120  11.431  -8.456
  212   2HG   GLN  35          HG1       GLN  35  -6.814  10.664 -10.015
  213   1HE2  GLN  35          1HE2      GLN  35  -9.322  12.041  -7.955
  214   2HE2  GLN  35          2HE2      GLN  35 -10.566  11.972  -9.109
  215    H    CYS  36           H        CYS  36  -7.734   8.551  -4.615
  216    HA   CYS  36           HA       CYS  36  -8.871   6.829  -3.505
  217   1HB   CYS  36          HB2       CYS  36 -10.751   7.535  -5.736
  218   2HB   CYS  36          HB1       CYS  36 -11.070   6.102  -4.758
  219    H    LYS  37           H        LYS  37  -6.915   6.373  -5.826
  220    HA   LYS  37           HA       LYS  37  -7.622   3.498  -6.232
  221   1HB   LYS  37          HB2       LYS  37  -7.248   5.540  -8.227
  222   2HB   LYS  37          HB1       LYS  37  -5.967   4.335  -8.377
  223   1HG   LYS  37          HG2       LYS  37  -7.407   2.878  -9.303
  224   2HG   LYS  37          HG1       LYS  37  -8.458   2.988  -7.890
  225   1HD   LYS  37          HD2       LYS  37  -9.879   3.765  -9.565
  226   2HD   LYS  37          HD1       LYS  37  -9.184   5.277  -8.977
  227   1HE   LYS  37          HE2       LYS  37  -7.351   4.371 -10.882
  228   2HE   LYS  37          HE1       LYS  37  -8.929   4.034 -11.597
  229   1HZ   LYS  37          HZ1       LYS  37  -9.579   6.304 -11.232
  230   2HZ   LYS  37          HZ2       LYS  37  -8.115   6.282 -12.095
  231   3HZ   LYS  37          HZ3       LYS  37  -8.121   6.645 -10.435
  232    H    PHE  38           H        PHE  38  -5.670   2.150  -6.698
  233    HA   PHE  38           HA       PHE  38  -3.617   2.658  -4.744
  234   1HB   PHE  38          HB2       PHE  38  -3.847   0.677  -7.022
  235   2HB   PHE  38          HB1       PHE  38  -2.461   0.714  -5.936
  236    HD1  PHE  38           HD1      PHE  38  -4.937   1.795  -3.845
  237    HD2  PHE  38           HD2      PHE  38  -3.807  -1.761  -5.976
  238    HE1  PHE  38           HE1      PHE  38  -6.184   0.416  -2.213
  239    HE2  PHE  38           HE2      PHE  38  -5.059  -3.135  -4.340
  240    HZ   PHE  38           HZ       PHE  38  -6.249  -2.048  -2.458
  241    H    SER  39           H        SER  39  -1.634   3.603  -4.999
  242    HA   SER  39           HA       SER  39  -1.184   5.294  -7.286
  243   1HB   SER  39          HB2       SER  39   0.596   4.466  -4.985
  244   2HB   SER  39          HB1       SER  39   1.114   5.594  -6.235
  245    HG   SER  39           HG       SER  39   0.195   6.962  -4.894
  246    H    ARG  40           H        ARG  40   1.609   3.446  -6.369
  247    HA   ARG  40           HA       ARG  40   1.402   1.831  -8.861
  248   1HB   ARG  40          HB2       ARG  40   2.852   4.138  -8.853
  249   2HB   ARG  40          HB1       ARG  40   4.074   2.981  -8.324
  250   1HG   ARG  40          HG2       ARG  40   3.636   1.573 -10.270
  251   2HG   ARG  40          HG1       ARG  40   2.330   2.642 -10.782
  252   1HD   ARG  40          HD2       ARG  40   5.085   3.763 -10.350
  253   2HD   ARG  40          HD1       ARG  40   4.711   2.921 -11.853
  254    HE   ARG  40           HE       ARG  40   2.634   4.686 -11.671
  255   1HH1  ARG  40          1HH1      ARG  40   5.519   4.843 -13.093
  256   2HH1  ARG  40          2HH1      ARG  40   5.814   6.533 -12.858
  257   1HH2  ARG  40          1HH2      ARG  40   3.228   6.941 -10.586
  258   2HH2  ARG  40          2HH2      ARG  40   4.517   7.722 -11.440
  259    H    ALA  41           H        ALA  41   3.222   0.168  -8.916
  260    HA   ALA  41           HA       ALA  41   3.404  -1.089  -6.264
  261   1HB   ALA  41          HB1       ALA  41   4.895  -2.349  -8.459
  262   2HB   ALA  41          HB2       ALA  41   3.193  -2.079  -8.841
  263   3HB   ALA  41          HB3       ALA  41   3.639  -3.026  -7.422
  264    H    GLY  42           H        GLY  42   5.151  -0.827  -4.955
  265   1HA   GLY  42          HA2       GLY  42   7.461  -0.622  -4.402
  266   2HA   GLY  42          HA1       GLY  42   7.826  -0.439  -6.118
  267    H    LYS  43           H        LYS  43   5.575   1.367  -4.021
  268    HA   LYS  43           HA       LYS  43   6.900   3.876  -4.950
  269   1HB   LYS  43          HB2       LYS  43   4.638   4.178  -5.390
  270   2HB   LYS  43          HB1       LYS  43   4.132   3.178  -4.034
  271   1HG   LYS  43          HG2       LYS  43   3.596   5.495  -3.528
  272   2HG   LYS  43          HG1       LYS  43   4.911   4.985  -2.478
  273   1HD   LYS  43          HD2       LYS  43   6.320   6.513  -3.353
  274   2HD   LYS  43          HD1       LYS  43   5.906   6.043  -5.003
  275   1HE   LYS  43          HE2       LYS  43   3.843   7.568  -3.494
  276   2HE   LYS  43          HE1       LYS  43   5.280   8.461  -3.994
  277   1HZ   LYS  43          HZ1       LYS  43   3.402   6.949  -5.717
  278   2HZ   LYS  43          HZ2       LYS  43   4.909   7.515  -6.260
  279   3HZ   LYS  43          HZ3       LYS  43   3.720   8.615  -5.745
  280    H    ILE  44           H        ILE  44   8.104   5.029  -3.497
  281    HA   ILE  44           HA       ILE  44   8.718   3.956  -0.929
  282    HB   ILE  44           HB       ILE  44  10.257   5.460  -2.092
  283   1HG1  ILE  44          2HG1      ILE  44  10.722   7.035  -0.192
  284   2HG1  ILE  44          1HG1      ILE  44   9.179   6.562   0.520
  285   1HG2  ILE  44          1HG2      ILE  44   9.680   7.524  -2.863
  286   2HG2  ILE  44          2HG2      ILE  44   8.726   7.898  -1.427
  287   3HG2  ILE  44          3HG2      ILE  44   8.031   6.916  -2.716
  288   1HD1  ILE  44          1HD1      ILE  44  10.804   4.253  -0.239
  289   2HD1  ILE  44          2HD1      ILE  44  10.025   4.617   1.300
  290   3HD1  ILE  44          3HD1      ILE  44  11.615   5.288   0.937
  291    H    CYS  45           H        CYS  45   6.778   3.620   0.201
  292    HA   CYS  45           HA       CYS  45   4.890   5.787   0.723
  293   1HB   CYS  45          HB2       CYS  45   4.006   4.142   2.446
  294   2HB   CYS  45          HB1       CYS  45   4.030   3.541   0.791
  295    H    ARG  46           H        ARG  46   7.836   4.619   2.057
  296    HA   ARG  46           HA       ARG  46   7.764   6.767   4.092
  297   1HB   ARG  46          HB2       ARG  46   7.085   4.148   4.804
  298   2HB   ARG  46          HB1       ARG  46   8.770   4.317   5.299
  299   1HG   ARG  46          HG2       ARG  46   8.196   5.649   7.020
  300   2HG   ARG  46          HG1       ARG  46   7.273   6.709   5.955
  301   1HD   ARG  46          HD2       ARG  46   5.459   4.871   6.010
  302   2HD   ARG  46          HD1       ARG  46   6.335   4.234   7.401
  303    HE   ARG  46           HE       ARG  46   4.981   6.886   7.300
  304   1HH1  ARG  46          1HH2      ARG  46   7.504   5.520   8.964
  305   2HH1  ARG  46          2HH2      ARG  46   6.779   5.619  10.534
  306   1HH2  ARG  46          1HH1      ARG  46   3.657   6.522   9.327
  307   2HH2  ARG  46          2HH1      ARG  46   4.602   6.188  10.740
  308    H    ILE  47           H        ILE  47   9.654   7.808   3.707
  309    HA   ILE  47           HA       ILE  47  11.991   6.243   2.746
  310    HB   ILE  47           HB       ILE  47  11.288   8.330   1.536
  311   1HG1  ILE  47          2HG1      ILE  47  13.607   9.352   1.549
  312   2HG1  ILE  47          1HG1      ILE  47  14.006   8.265   2.880
  313   1HG2  ILE  47          1HG2      ILE  47  11.491  10.464   2.562
  314   2HG2  ILE  47          2HG2      ILE  47  12.366   9.804   3.944
  315   3HG2  ILE  47          3HG2      ILE  47  10.644   9.474   3.751
  316   1HD1  ILE  47          1HD1      ILE  47  12.745   6.994   0.515
  317   2HD1  ILE  47          2HD1      ILE  47  14.067   6.420   1.531
  318   3HD1  ILE  47          3HD1      ILE  47  14.378   7.615   0.273
  319    H    ALA  48           H        ALA  48  13.993   6.306   3.865
  320    HA   ALA  48           HA       ALA  48  13.853   7.421   6.639
  321   1HB   ALA  48          HB1       ALA  48  15.140   4.833   5.714
  322   2HB   ALA  48          HB2       ALA  48  13.711   4.982   6.738
  323   3HB   ALA  48          HB3       ALA  48  15.284   5.502   7.340
  324    H    ARG  49           H        ARG  49  15.689   8.526   7.330
  325    HA   ARG  49           HA       ARG  49  17.844   8.839   5.280
  326   1HB   ARG  49          HB2       ARG  49  16.777  10.743   7.380
  327   2HB   ARG  49          HB1       ARG  49  18.277  11.033   6.497
  328   1HG   ARG  49          HG2       ARG  49  17.133  11.786   4.713
  329   2HG   ARG  49          HG1       ARG  49  16.196  10.293   4.644
  330   1HD   ARG  49          HD2       ARG  49  14.695  12.204   4.963
  331   2HD   ARG  49          HD1       ARG  49  14.685  11.186   6.403
  332    HE   ARG  49           HE       ARG  49  15.343  13.150   7.517
  333   1HH1  ARG  49          1HH1      ARG  49  15.256  14.993   5.219
  334   2HH1  ARG  49          2HH1      ARG  49  16.905  15.500   5.062
  335   1HH2  ARG  49          1HH2      ARG  49  18.163  12.894   6.974
  336   2HH2  ARG  49          2HH2      ARG  49  18.551  14.310   6.055
  337    H    GLY  50           H        GLY  50  19.284   7.245   5.982
  338   1HA   GLY  50          HA2       GLY  50  21.322   7.539   7.641
  339   2HA   GLY  50          HA1       GLY  50  20.071   7.249   8.848
  340    H    ASP  51           H        ASP  51  21.101   5.258   9.492
  341    HA   ASP  51           HA       ASP  51  21.571   3.138   7.553
  342   1HB   ASP  51          HB2       ASP  51  22.165   3.622  10.310
  343   2HB   ASP  51          HB1       ASP  51  21.317   2.080  10.193
  344    H    MET  52           H        MET  52  18.762   4.411   8.811
  345    HA   MET  52           HA       MET  52  17.286   1.954   9.286
  346   1HB   MET  52          HB2       MET  52  16.437   4.819   8.801
  347   2HB   MET  52          HB1       MET  52  15.280   3.516   9.078
  348   1HG   MET  52          HG2       MET  52  15.577   3.799  11.291
  349   2HG   MET  52          HG1       MET  52  17.241   3.248  11.092
  350   1HE   MET  52          HE1       MET  52  15.710   6.656   9.501
  351   2HE   MET  52          HE2       MET  52  15.622   7.518  11.035
  352   3HE   MET  52          HE3       MET  52  14.759   5.995  10.839
  353    HA   PRO  53           HA       PRO  53  16.391   0.947   5.104
  354   1HB   PRO  53          HB2       PRO  53  14.170  -0.612   5.554
  355   2HB   PRO  53          HB1       PRO  53  15.827  -1.148   5.879
  356   1HG   PRO  53          HG2       PRO  53  13.714  -0.311   7.809
  357   2HG   PRO  53          HG1       PRO  53  15.086  -1.405   8.052
  358   1HD   PRO  53          HD2       PRO  53  14.943   1.291   8.907
  359   2HD   PRO  53          HD1       PRO  53  16.412   0.292   8.843
  360    H    ASP  54           H        ASP  54  14.198   0.777   3.689
  361    HA   ASP  54           HA       ASP  54  12.578   3.218   4.306
  362   1HB   ASP  54          HB2       ASP  54  12.323   3.087   1.643
  363   2HB   ASP  54          HB1       ASP  54  13.668   3.938   2.400
  364    H    ASP  55           H        ASP  55  10.435   3.119   2.958
  365    HA   ASP  55           HA       ASP  55   9.404   0.309   2.982
  366   1HB   ASP  55          HB2       ASP  55   7.813   2.755   3.801
  367   2HB   ASP  55          HB1       ASP  55   7.337   1.065   3.962
  368    H    ARG  56           H        ARG  56   8.455  -0.243   1.049
  369    HA   ARG  56           HA       ARG  56   7.639   2.008  -0.727
  370   1HB   ARG  56          HB2       ARG  56   8.735  -0.633  -1.701
  371   2HB   ARG  56          HB1       ARG  56   8.519   0.857  -2.622
  372   1HG   ARG  56          HG2       ARG  56  10.134   1.839  -0.751
  373   2HG   ARG  56          HG1       ARG  56  10.634   0.152  -0.626
  374   1HD   ARG  56          HD2       ARG  56  10.849   0.217  -3.195
  375   2HD   ARG  56          HD1       ARG  56  10.773   1.971  -3.030
  376    HE   ARG  56           HE       ARG  56  12.743   1.279  -1.239
  377   1HH1  ARG  56          1HH2      ARG  56  12.582  -0.912  -3.627
  378   2HH1  ARG  56          2HH2      ARG  56  14.026  -0.447  -4.464
  379   1HH2  ARG  56          1HH1      ARG  56  14.408   2.518  -2.709
  380   2HH2  ARG  56          2HH1      ARG  56  15.058   1.495  -3.946
  381    H    CYS  57           H        CYS  57   5.609   1.843  -1.621
  382    HA   CYS  57           HA       CYS  57   3.725  -0.055  -0.618
  383   1HB   CYS  57          HB2       CYS  57   3.638   1.694  -3.090
  384   2HB   CYS  57          HB1       CYS  57   2.273   0.732  -2.534
  385    H    THR  58           H        THR  58   2.563  -1.715  -1.892
  386    HA   THR  58           HA       THR  58   4.438  -3.160  -3.697
  387    HB   THR  58           HB       THR  58   2.836  -5.092  -3.280
  388    HG1  THR  58           HG1      THR  58   1.274  -3.329  -2.443
  389   1HG2  THR  58          1HG2      THR  58   4.983  -4.222  -1.853
  390   2HG2  THR  58          2HG2      THR  58   4.120  -5.720  -1.507
  391   3HG2  THR  58          3HG2      THR  58   3.748  -4.259  -0.594
  392    H    GLY  59           H        GLY  59   2.056  -0.976  -4.052
  393   1HA   GLY  59          HA2       GLY  59   0.966  -0.380  -6.084
  394   2HA   GLY  59          HA1       GLY  59   1.405  -1.955  -6.749
  395    H    GLN  60           H        GLN  60   0.340  -3.659  -4.813
  396    HA   GLN  60           HA       GLN  60  -2.553  -3.301  -5.330
  397   1HB   GLN  60          HB2       GLN  60  -0.987  -5.639  -4.195
  398   2HB   GLN  60          HB1       GLN  60  -2.721  -5.649  -4.515
  399   1HG   GLN  60          HG2       GLN  60  -2.231  -5.109  -6.910
  400   2HG   GLN  60          HG1       GLN  60  -0.511  -5.273  -6.554
  401   1HE2  GLN  60          1HE2      GLN  60  -3.560  -7.079  -6.819
  402   2HE2  GLN  60          2HE2      GLN  60  -2.846  -8.618  -6.844
  403    H    SER  61           H        SER  61  -0.486  -2.308  -2.986
  404    HA   SER  61           HA       SER  61  -2.525  -2.712  -0.830
  405   1HB   SER  61          HB2       SER  61   0.455  -2.236  -0.535
  406   2HB   SER  61          HB1       SER  61  -0.686  -2.468   0.786
  407    HG   SER  61           HG       SER  61  -1.094  -4.546  -0.012
  408    H    ALA  62           H        ALA  62  -3.506  -0.877  -0.135
  409    HA   ALA  62           HA       ALA  62  -2.701   1.705  -1.241
  410   1HB   ALA  62          HB1       ALA  62  -4.973   1.786  -1.009
  411   2HB   ALA  62          HB2       ALA  62  -4.584   2.320   0.627
  412   3HB   ALA  62          HB3       ALA  62  -4.977   0.628   0.321
  413    H    ASP  63           H        ASP  63  -2.799   0.250   2.019
  414    HA   ASP  63           HA       ASP  63  -1.509   2.591   3.204
  415   1HB   ASP  63          HB2       ASP  63  -1.705  -0.120   4.509
  416   2HB   ASP  63          HB1       ASP  63  -1.728   1.474   5.265
  417    H    CYS  64           H        CYS  64   0.495   1.860   4.741
  418    HA   CYS  64           HA       CYS  64   2.385   0.302   3.031
  419   1HB   CYS  64          HB2       CYS  64   2.941   2.610   2.647
  420   2HB   CYS  64          HB1       CYS  64   2.842   2.981   4.366
  421    HA   PRO  65           HA       PRO  65   3.081  -1.730   6.867
  422   1HB   PRO  65          HB2       PRO  65   4.955  -3.447   5.854
  423   2HB   PRO  65          HB1       PRO  65   3.220  -3.675   5.631
  424   1HG   PRO  65          HG2       PRO  65   5.285  -2.804   3.680
  425   2HG   PRO  65          HG1       PRO  65   3.709  -3.557   3.384
  426   1HD   PRO  65          HD2       PRO  65   4.339  -0.803   3.105
  427   2HD   PRO  65          HD1       PRO  65   2.717  -1.529   3.065
  428    H    ARG  66           H        ARG  66   5.673  -2.790   7.447
  429    HA   ARG  66           HA       ARG  66   7.163  -0.251   7.885
  430   1HB   ARG  66          HB2       ARG  66   7.162  -2.933   9.268
  431   2HB   ARG  66          HB1       ARG  66   8.485  -1.790   9.502
  432   1HG   ARG  66          HG2       ARG  66   7.193  -0.326  10.694
  433   2HG   ARG  66          HG1       ARG  66   5.745  -0.673   9.747
  434   1HD   ARG  66          HD2       ARG  66   5.472  -2.816  10.909
  435   2HD   ARG  66          HD1       ARG  66   6.949  -2.523  11.827
  436    HE   ARG  66           HE       ARG  66   5.700  -0.476  12.754
  437   1HH1  ARG  66          1HH2      ARG  66   3.234  -0.961  11.072
  438   2HH1  ARG  66          2HH2      ARG  66   2.193  -1.762  12.201
  439   1HH2  ARG  66          1HH1      ARG  66   4.749  -2.516  14.422
  440   2HH2  ARG  66          2HH1      ARG  66   3.052  -2.641  14.100
  441    H    TYR  67           H        TYR  67   8.739  -3.376   7.999
  442    HA   TYR  67           HA       TYR  67  10.146  -2.712   5.448
  443   1HB   TYR  67          HB2       TYR  67  12.172  -3.843   6.709
  444   2HB   TYR  67          HB1       TYR  67  11.813  -2.136   6.970
  445    HD1  TYR  67           HD2      TYR  67  10.557  -1.411   9.001
  446    HD2  TYR  67           HD1      TYR  67  11.863  -5.466   8.455
  447    HE1  TYR  67           HE2      TYR  67  10.208  -1.848  11.416
  448    HE2  TYR  67           HE1      TYR  67  11.515  -5.903  10.872
  449    HH   TYR  67           HH       TYR  67   9.748  -4.466  12.762
  450    H    HIS  68           H        HIS  68   8.389  -4.349   4.795
  451    HA   HIS  68           HA       HIS  68   9.237  -7.141   5.424
  452   1HB   HIS  68          HB2       HIS  68   6.870  -6.656   5.861
  453   2HB   HIS  68          HB1       HIS  68   6.667  -6.088   4.204
  454    HD1  HIS  68           HD1      HIS  68   4.831  -8.147   4.229
  455    HD2  HIS  68           HD2      HIS  68   8.860  -9.213   4.230
  456    HE1  HIS  68           HE1      HIS  68   4.931 -10.571   3.500
  Start of MODEL   10
    1   1H    GLY   1          HT1       GLY   1  -5.503  -7.944   7.506
    2   2H    GLY   1          HT2       GLY   1  -6.699  -6.860   8.038
    3   3H    GLY   1          HT3       GLY   1  -6.085  -6.745   6.458
    4   1HA   GLY   1          HA1       GLY   1  -6.943  -9.219   6.333
    5   2HA   GLY   1          HA2       GLY   1  -8.040  -8.608   7.571
    6    H    LYS   2           H        LYS   2  -9.625  -9.063   5.723
    7    HA   LYS   2           HA       LYS   2  -9.808  -6.632   3.988
    8   1HB   LYS   2          HB2       LYS   2  -9.272  -8.966   2.891
    9   2HB   LYS   2          HB1       LYS   2 -10.993  -9.262   3.148
   10   1HG   LYS   2          HG2       LYS   2 -11.345  -6.949   2.029
   11   2HG   LYS   2          HG1       LYS   2  -9.686  -7.136   1.456
   12   1HD   LYS   2          HD2       LYS   2 -11.072  -9.601   1.012
   13   2HD   LYS   2          HD1       LYS   2 -12.056  -8.289   0.366
   14   1HE   LYS   2          HE2       LYS   2  -9.117  -8.261  -0.197
   15   2HE   LYS   2          HE1       LYS   2 -10.130  -9.390  -1.097
   16   1HZ   LYS   2          HZ1       LYS   2  -9.759  -6.946  -1.921
   17   2HZ   LYS   2          HZ2       LYS   2 -11.033  -6.618  -0.847
   18   3HZ   LYS   2          HZ3       LYS   2 -11.256  -7.719  -2.121
   19    H    GLU   3           H        GLU   3 -11.401  -5.466   4.996
   20    HA   GLU   3           HA       GLU   3 -14.105  -6.474   5.001
   21   1HB   GLU   3          HB2       GLU   3 -12.685  -7.255   7.224
   22   2HB   GLU   3          HB1       GLU   3 -13.432  -5.754   7.773
   23   1HG   GLU   3          HG2       GLU   3 -15.313  -7.371   6.257
   24   2HG   GLU   3          HG1       GLU   3 -14.663  -8.265   7.632
   25    H    CYS   4           H        CYS   4 -11.877  -4.102   6.370
   26    HA   CYS   4           HA       CYS   4 -13.899  -2.017   5.702
   27   1HB   CYS   4          HB2       CYS   4 -11.980  -2.107   8.044
   28   2HB   CYS   4          HB1       CYS   4 -12.886  -0.669   7.580
   29    H    ASP   5           H        ASP   5 -13.162  -0.350   4.470
   30    HA   ASP   5           HA       ASP   5 -10.312  -0.474   3.625
   31   1HB   ASP   5          HB2       ASP   5 -12.025  -0.670   1.841
   32   2HB   ASP   5          HB1       ASP   5 -12.683   0.897   2.313
   33    H    CYS   6           H        CYS   6 -12.816   1.680   4.872
   34    HA   CYS   6           HA       CYS   6 -10.660   3.537   5.753
   35   1HB   CYS   6          HB2       CYS   6 -13.232   4.734   4.800
   36   2HB   CYS   6          HB1       CYS   6 -11.618   5.440   4.839
   37    H    SER   7           H        SER   7 -11.045   4.402   7.798
   38    HA   SER   7           HA       SER   7 -13.352   3.255   9.251
   39   1HB   SER   7          HB2       SER   7 -12.202   4.043  11.267
   40   2HB   SER   7          HB1       SER   7 -11.078   3.146  10.249
   41    HG   SER   7           HG       SER   7  -9.941   4.897  10.080
   42    H    SER   8           H        SER   8 -13.290   5.695   7.285
   43    HA   SER   8           HA       SER   8 -14.426   7.745   9.111
   44   1HB   SER   8          HB2       SER   8 -13.593   7.831   6.206
   45   2HB   SER   8          HB1       SER   8 -14.399   9.169   7.020
   46    HG   SER   8           HG       SER   8 -11.868   8.020   7.525
   47    HA   PRO   9           HA       PRO   9 -18.382   6.121   7.730
   48   1HB   PRO   9          HB2       PRO   9 -19.850   7.515   9.591
   49   2HB   PRO   9          HB1       PRO   9 -19.014   5.992   9.943
   50   1HG   PRO   9          HG2       PRO   9 -18.265   8.772  10.730
   51   2HG   PRO   9          HG1       PRO   9 -17.886   7.237  11.531
   52   1HD   PRO   9          HD2       PRO   9 -16.119   8.734   9.906
   53   2HD   PRO   9          HD1       PRO   9 -15.885   7.050  10.425
   54    H    GLU  10           H        GLU  10 -17.014   9.124   7.379
   55    HA   GLU  10           HA       GLU  10 -19.431  10.173   5.963
   56   1HB   GLU  10          HB2       GLU  10 -18.569  12.464   6.503
   57   2HB   GLU  10          HB1       GLU  10 -19.031  11.547   7.937
   58   1HG   GLU  10          HG2       GLU  10 -16.833  11.220   8.608
   59   2HG   GLU  10          HG1       GLU  10 -16.204  11.362   6.966
   60    H    ASN  11           H        ASN  11 -17.114   8.532   5.034
   61    HA   ASN  11           HA       ASN  11 -15.696  10.461   3.272
   62   1HB   ASN  11          HB2       ASN  11 -14.785   8.270   4.659
   63   2HB   ASN  11          HB1       ASN  11 -15.044   7.594   3.051
   64   1HD2  ASN  11          1HD2      ASN  11 -12.585   7.449   3.017
   65   2HD2  ASN  11          2HD2      ASN  11 -11.704   8.829   2.570
   66    HA   PRO  12           HA       PRO  12 -18.373   9.208  -0.040
   67   1HB   PRO  12          HB2       PRO  12 -16.993  10.490  -2.045
   68   2HB   PRO  12          HB1       PRO  12 -18.066  11.329  -0.910
   69   1HG   PRO  12          HG2       PRO  12 -15.085  11.295  -0.998
   70   2HG   PRO  12          HG1       PRO  12 -16.174  12.531  -0.349
   71   1HD   PRO  12          HD2       PRO  12 -14.738  10.620   1.171
   72   2HD   PRO  12          HD1       PRO  12 -16.069  11.641   1.761
   73    H    CYS  13           H        CYS  13 -14.945   8.648   0.110
   74    HA   CYS  13           HA       CYS  13 -14.897   6.806  -2.177
   75   1HB   CYS  13          HB2       CYS  13 -12.970   8.174  -0.468
   76   2HB   CYS  13          HB1       CYS  13 -12.550   6.477  -0.704
   77    H    CYS  14           H        CYS  14 -16.042   6.588   0.932
   78    HA   CYS  14           HA       CYS  14 -15.724   3.645   0.868
   79   1HB   CYS  14          HB2       CYS  14 -14.452   5.426   2.792
   80   2HB   CYS  14          HB1       CYS  14 -15.487   4.229   3.574
   81    H    ASP  15           H        ASP  15 -17.293   2.519   2.109
   82    HA   ASP  15           HA       ASP  15 -19.767   4.124   2.539
   83   1HB   ASP  15          HB2       ASP  15 -19.434   1.973   0.949
   84   2HB   ASP  15          HB1       ASP  15 -19.826   1.155   2.456
   85    H    ALA  16           H        ALA  16 -20.592   4.253   4.587
   86    HA   ALA  16           HA       ALA  16 -19.104   3.103   6.805
   87   1HB   ALA  16          HB1       ALA  16 -20.271   4.585   8.080
   88   2HB   ALA  16          HB2       ALA  16 -21.815   4.125   7.362
   89   3HB   ALA  16          HB3       ALA  16 -20.764   5.273   6.532
   90    H    ALA  17           H        ALA  17 -21.945   2.236   4.964
   91    HA   ALA  17           HA       ALA  17 -23.160   0.440   6.815
   92   1HB   ALA  17          HB1       ALA  17 -23.206   0.813   3.856
   93   2HB   ALA  17          HB2       ALA  17 -24.545   0.768   5.004
   94   3HB   ALA  17          HB3       ALA  17 -23.780  -0.733   4.481
   95    H    THR  18           H        THR  18 -20.677  -0.121   4.309
   96    HA   THR  18           HA       THR  18 -20.149  -2.764   5.607
   97    HB   THR  18           HB       THR  18 -20.848  -2.938   3.245
   98    HG1  THR  18           HG1      THR  18 -19.437  -4.463   3.049
   99   1HG2  THR  18          1HG2      THR  18 -20.009  -0.672   2.594
  100   2HG2  THR  18          2HG2      THR  18 -19.526  -1.944   1.474
  101   3HG2  THR  18          3HG2      THR  18 -18.368  -1.310   2.642
  102    H    CYS  19           H        CYS  19 -19.098   0.168   5.967
  103    HA   CYS  19           HA       CYS  19 -17.041   1.235   6.334
  104   1HB   CYS  19          HB2       CYS  19 -15.698   0.123   7.930
  105   2HB   CYS  19          HB1       CYS  19 -17.318  -0.515   8.193
  106    H    LYS  20           H        LYS  20 -17.314  -0.163   3.659
  107    HA   LYS  20           HA       LYS  20 -14.383  -0.522   3.169
  108   1HB   LYS  20          HB2       LYS  20 -16.733  -1.805   1.759
  109   2HB   LYS  20          HB1       LYS  20 -15.069  -1.876   1.170
  110   1HG   LYS  20          HG2       LYS  20 -14.342  -3.171   2.983
  111   2HG   LYS  20          HG1       LYS  20 -15.708  -2.699   3.992
  112   1HD   LYS  20          HD2       LYS  20 -16.787  -4.560   3.337
  113   2HD   LYS  20          HD1       LYS  20 -16.798  -3.937   1.687
  114   1HE   LYS  20          HE2       LYS  20 -14.298  -4.824   1.691
  115   2HE   LYS  20          HE1       LYS  20 -14.908  -5.875   2.969
  116   1HZ   LYS  20          HZ1       LYS  20 -15.303  -6.069   0.182
  117   2HZ   LYS  20          HZ2       LYS  20 -16.807  -5.883   0.951
  118   3HZ   LYS  20          HZ3       LYS  20 -15.770  -7.152   1.399
  119    H    LEU  21           H        LEU  21 -14.301  -0.310   0.445
  120    HA   LEU  21           HA       LEU  21 -14.460   2.515   0.052
  121   1HB   LEU  21          HB2       LEU  21 -13.963   0.176  -1.747
  122   2HB   LEU  21          HB1       LEU  21 -14.243   1.770  -2.452
  123    HG   LEU  21           HG       LEU  21 -12.345   1.677  -0.176
  124   1HD1  LEU  21          1HD1      LEU  21 -11.232   0.929  -2.839
  125   2HD1  LEU  21          2HD1      LEU  21 -11.993  -0.347  -1.889
  126   3HD1  LEU  21          3HD1      LEU  21 -10.629   0.553  -1.225
  127   1HD2  LEU  21          1HD2      LEU  21 -12.247   3.764  -1.053
  128   2HD2  LEU  21          2HD2      LEU  21 -12.916   3.243  -2.600
  129   3HD2  LEU  21          3HD2      LEU  21 -11.198   3.028  -2.265
  130    H    ARG  22           H        ARG  22 -15.951   3.751  -1.103
  131    HA   ARG  22           HA       ARG  22 -18.645   2.564  -1.307
  132   1HB   ARG  22          HB2       ARG  22 -17.612   5.156  -0.701
  133   2HB   ARG  22          HB1       ARG  22 -18.616   5.297  -2.144
  134   1HG   ARG  22          HG2       ARG  22 -20.318   3.836  -0.819
  135   2HG   ARG  22          HG1       ARG  22 -19.387   4.321   0.598
  136   1HD   ARG  22          HD2       ARG  22 -19.669   6.725  -0.194
  137   2HD   ARG  22          HD1       ARG  22 -20.842   6.111  -1.359
  138    HE   ARG  22           HE       ARG  22 -21.396   5.276   1.384
  139   1HH1  ARG  22          1HH2      ARG  22 -22.950   6.349  -1.243
  140   2HH1  ARG  22          2HH2      ARG  22 -23.867   7.605  -0.478
  141   1HH2  ARG  22          1HH1      ARG  22 -22.065   7.486   2.481
  142   2HH2  ARG  22          2HH1      ARG  22 -23.365   8.249   1.629
  143    HA   PRO  23           HA       PRO  23 -18.019   3.965  -5.803
  144   1HB   PRO  23          HB2       PRO  23 -15.658   5.183  -6.494
  145   2HB   PRO  23          HB1       PRO  23 -17.073   6.067  -5.895
  146   1HG   PRO  23          HG2       PRO  23 -14.522   5.454  -4.496
  147   2HG   PRO  23          HG1       PRO  23 -15.685   6.754  -4.189
  148   1HD   PRO  23          HD2       PRO  23 -15.412   4.337  -2.709
  149   2HD   PRO  23          HD1       PRO  23 -16.706   5.541  -2.548
  150    H    GLY  24           H        GLY  24 -15.973   3.619  -7.650
  151   1HA   GLY  24          HA2       GLY  24 -15.213   0.808  -7.156
  152   2HA   GLY  24          HA1       GLY  24 -15.065   1.665  -8.691
  153    H    ALA  25           H        ALA  25 -13.931   3.353  -5.925
  154    HA   ALA  25           HA       ALA  25 -11.245   3.515  -6.937
  155   1HB   ALA  25          HB1       ALA  25 -12.092   5.321  -5.587
  156   2HB   ALA  25          HB2       ALA  25 -10.781   4.563  -4.683
  157   3HB   ALA  25          HB3       ALA  25 -12.457   4.226  -4.252
  158    H    GLN  26           H        GLN  26  -9.292   2.764  -5.707
  159    HA   GLN  26           HA       GLN  26  -9.669  -0.037  -4.862
  160   1HB   GLN  26          HB2       GLN  26  -7.481   1.602  -5.908
  161   2HB   GLN  26          HB1       GLN  26  -6.976   0.574  -4.569
  162   1HG   GLN  26          HG2       GLN  26  -7.506  -1.393  -5.702
  163   2HG   GLN  26          HG1       GLN  26  -8.674  -0.590  -6.751
  164   1HE2  GLN  26          1HE2      GLN  26  -7.183  -1.919  -8.379
  165   2HE2  GLN  26          2HE2      GLN  26  -5.863  -1.062  -9.017
  166    H    CYS  27           H        CYS  27  -8.778   3.074  -3.465
  167    HA   CYS  27           HA       CYS  27  -9.202   1.949  -0.786
  168   1HB   CYS  27          HB2       CYS  27  -7.020   1.732  -0.250
  169   2HB   CYS  27          HB1       CYS  27  -6.571   2.228  -1.873
  170    H    GLY  28           H        GLY  28  -9.886   3.549   0.679
  171   1HA   GLY  28          HA2       GLY  28 -10.579   6.137  -0.547
  172   2HA   GLY  28          HA1       GLY  28 -11.139   5.556   1.017
  173    H    GLU  29           H        GLU  29  -8.323   4.800   1.722
  174    HA   GLU  29           HA       GLU  29  -7.011   7.441   1.848
  175   1HB   GLU  29          HB2       GLU  29  -6.931   7.465   4.249
  176   2HB   GLU  29          HB1       GLU  29  -8.611   7.271   3.777
  177   1HG   GLU  29          HG2       GLU  29  -8.687   5.423   5.054
  178   2HG   GLU  29          HG1       GLU  29  -7.576   4.663   3.915
  179    H    GLY  30           H        GLY  30  -4.758   7.277   2.306
  180   1HA   GLY  30          HA2       GLY  30  -3.282   5.199   3.334
  181   2HA   GLY  30          HA1       GLY  30  -3.585   4.670   1.684
  182    H    LEU  31           H        LEU  31  -1.090   5.594   3.094
  183    HA   LEU  31           HA       LEU  31  -0.321   8.120   2.012
  184   1HB   LEU  31          HB2       LEU  31   2.069   7.087   2.227
  185   2HB   LEU  31          HB1       LEU  31   1.159   7.452   3.680
  186    HG   LEU  31           HG       LEU  31   2.396   5.179   3.448
  187   1HD1  LEU  31          1HD1      LEU  31  -0.268   4.436   4.293
  188   2HD1  LEU  31          2HD1      LEU  31   0.151   6.047   4.877
  189   3HD1  LEU  31          3HD1      LEU  31   1.188   4.674   5.260
  190   1HD2  LEU  31          1HD2      LEU  31   1.257   4.799   1.167
  191   2HD2  LEU  31          2HD2      LEU  31  -0.175   4.371   2.098
  192   3HD2  LEU  31          3HD2      LEU  31   1.304   3.445   2.283
  193    H    CYS  32           H        CYS  32  -0.918   5.159   0.493
  194    HA   CYS  32           HA       CYS  32   0.589   6.082  -1.918
  195   1HB   CYS  32          HB2       CYS  32   0.246   3.342  -0.741
  196   2HB   CYS  32          HB1       CYS  32   0.464   3.518  -2.482
  197    H    CYS  33           H        CYS  33  -1.987   6.991  -1.432
  198    HA   CYS  33           HA       CYS  33  -3.545   5.470  -3.475
  199   1HB   CYS  33          HB2       CYS  33  -4.423   6.605  -0.828
  200   2HB   CYS  33          HB1       CYS  33  -5.582   6.356  -2.135
  201    H    GLU  34           H        GLU  34  -3.493   6.788  -5.243
  202    HA   GLU  34           HA       GLU  34  -3.901   9.719  -4.816
  203   1HB   GLU  34          HB2       GLU  34  -1.837   9.341  -5.982
  204   2HB   GLU  34          HB1       GLU  34  -2.590   8.166  -7.062
  205   1HG   GLU  34          HG2       GLU  34  -2.235  10.456  -8.080
  206   2HG   GLU  34          HG1       GLU  34  -3.900   9.877  -8.136
  207    H    GLN  35           H        GLN  35  -5.999  10.272  -5.156
  208    HA   GLN  35           HA       GLN  35  -8.027  10.515  -6.319
  209   1HB   GLN  35          HB2       GLN  35  -8.016  10.169  -8.572
  210   2HB   GLN  35          HB1       GLN  35  -6.301   9.855  -8.338
  211   1HG   GLN  35          HG2       GLN  35  -7.260   7.381  -7.823
  212   2HG   GLN  35          HG1       GLN  35  -8.518   7.953  -8.919
  213   1HE2  GLN  35          1HE2      GLN  35  -7.997   8.112 -11.149
  214   2HE2  GLN  35          2HE2      GLN  35  -6.462   7.756 -11.780
  215    H    CYS  36           H        CYS  36  -7.187   8.343  -4.379
  216    HA   CYS  36           HA       CYS  36  -8.437   6.716  -3.219
  217   1HB   CYS  36          HB2       CYS  36 -10.394   7.936  -4.701
  218   2HB   CYS  36          HB1       CYS  36 -10.459   6.291  -5.320
  219    H    LYS  37           H        LYS  37  -6.719   6.429  -5.925
  220    HA   LYS  37           HA       LYS  37  -7.333   3.535  -6.310
  221   1HB   LYS  37          HB2       LYS  37  -7.039   5.460  -8.216
  222   2HB   LYS  37          HB1       LYS  37  -5.386   4.851  -8.109
  223   1HG   LYS  37          HG2       LYS  37  -5.938   2.826  -8.995
  224   2HG   LYS  37          HG1       LYS  37  -7.482   2.766  -8.145
  225   1HD   LYS  37          HD2       LYS  37  -8.383   4.457  -9.751
  226   2HD   LYS  37          HD1       LYS  37  -6.863   4.370 -10.643
  227   1HE   LYS  37          HE2       LYS  37  -8.638   2.899 -11.611
  228   2HE   LYS  37          HE1       LYS  37  -7.212   2.000 -11.092
  229   1HZ   LYS  37          HZ1       LYS  37  -9.662   1.318 -10.391
  230   2HZ   LYS  37          HZ2       LYS  37  -9.317   2.386  -9.115
  231   3HZ   LYS  37          HZ3       LYS  37  -8.319   1.039  -9.393
  232    H    PHE  38           H        PHE  38  -5.474   2.066  -6.454
  233    HA   PHE  38           HA       PHE  38  -3.583   2.507  -4.327
  234   1HB   PHE  38          HB2       PHE  38  -3.776   0.448  -6.533
  235   2HB   PHE  38          HB1       PHE  38  -2.451   0.449  -5.375
  236    HD1  PHE  38           HD2      PHE  38  -3.818   1.296  -2.889
  237    HD2  PHE  38           HD1      PHE  38  -5.077  -1.428  -5.964
  238    HE1  PHE  38           HE2      PHE  38  -5.248   0.100  -1.250
  239    HE2  PHE  38           HE1      PHE  38  -6.504  -2.620  -4.324
  240    HZ   PHE  38           HZ       PHE  38  -6.591  -1.854  -1.968
  241    H    SER  39           H        SER  39  -1.554   3.408  -4.437
  242    HA   SER  39           HA       SER  39  -0.776   4.852  -6.816
  243   1HB   SER  39          HB2       SER  39   0.435   4.350  -4.129
  244   2HB   SER  39          HB1       SER  39   1.498   4.899  -5.419
  245    HG   SER  39           HG       SER  39  -0.127   6.346  -3.953
  246    H    ARG  40           H        ARG  40   1.586   4.479  -7.678
  247    HA   ARG  40           HA       ARG  40   1.639   1.804  -8.796
  248   1HB   ARG  40          HB2       ARG  40   3.823   3.904  -8.895
  249   2HB   ARG  40          HB1       ARG  40   3.588   2.559 -10.012
  250   1HG   ARG  40          HG2       ARG  40   1.754   3.550 -11.039
  251   2HG   ARG  40          HG1       ARG  40   1.346   4.510  -9.616
  252   1HD   ARG  40          HD2       ARG  40   3.966   5.270 -10.485
  253   2HD   ARG  40          HD1       ARG  40   2.889   5.300 -11.882
  254    HE   ARG  40           HE       ARG  40   1.725   6.593  -9.547
  255   1HH1  ARG  40          1HH1      ARG  40   4.488   7.806 -10.183
  256   2HH1  ARG  40          2HH1      ARG  40   4.025   9.126 -11.204
  257   1HH2  ARG  40          1HH2      ARG  40   0.825   7.912 -11.765
  258   2HH2  ARG  40          2HH2      ARG  40   1.950   9.185 -12.101
  259    H    ALA  41           H        ALA  41   3.477   0.306  -8.558
  260    HA   ALA  41           HA       ALA  41   4.202  -0.080  -5.790
  261   1HB   ALA  41          HB1       ALA  41   5.253  -2.072  -6.508
  262   2HB   ALA  41          HB2       ALA  41   5.577  -1.424  -8.115
  263   3HB   ALA  41          HB3       ALA  41   3.931  -1.862  -7.657
  264    H    GLY  42           H        GLY  42   6.549  -0.297  -5.110
  265   1HA   GLY  42          HA2       GLY  42   8.723   0.587  -4.932
  266   2HA   GLY  42          HA1       GLY  42   8.581   1.119  -6.609
  267    H    LYS  43           H        LYS  43   6.056   2.064  -4.442
  268    HA   LYS  43           HA       LYS  43   6.883   4.883  -4.746
  269   1HB   LYS  43          HB2       LYS  43   4.568   4.652  -5.060
  270   2HB   LYS  43          HB1       LYS  43   4.411   3.483  -3.753
  271   1HG   LYS  43          HG2       LYS  43   3.476   5.629  -3.043
  272   2HG   LYS  43          HG1       LYS  43   4.932   5.284  -2.113
  273   1HD   LYS  43          HD2       LYS  43   5.633   7.340  -2.747
  274   2HD   LYS  43          HD1       LYS  43   5.921   6.615  -4.330
  275   1HE   LYS  43          HE2       LYS  43   3.140   7.506  -3.714
  276   2HE   LYS  43          HE1       LYS  43   4.342   8.756  -4.034
  277   1HZ   LYS  43          HZ1       LYS  43   2.996   7.223  -5.891
  278   2HZ   LYS  43          HZ2       LYS  43   4.589   6.635  -5.895
  279   3HZ   LYS  43          HZ3       LYS  43   4.288   8.282  -6.183
  280    H    ILE  44           H        ILE  44   8.319   5.670  -3.292
  281    HA   ILE  44           HA       ILE  44   8.955   4.425  -0.807
  282    HB   ILE  44           HB       ILE  44  10.511   5.932  -1.962
  283   1HG1  ILE  44          2HG1      ILE  44  11.169   7.322  -0.004
  284   2HG1  ILE  44          1HG1      ILE  44   9.614   6.965   0.748
  285   1HG2  ILE  44          1HG2      ILE  44   9.794   7.898  -2.789
  286   2HG2  ILE  44          2HG2      ILE  44   9.422   8.463  -1.160
  287   3HG2  ILE  44          3HG2      ILE  44   8.203   7.595  -2.092
  288   1HD1  ILE  44          1HD1      ILE  44  11.264   5.430   1.648
  289   2HD1  ILE  44          2HD1      ILE  44  11.777   4.970   0.025
  290   3HD1  ILE  44          3HD1      ILE  44  10.173   4.521   0.603
  291    H    CYS  45           H        CYS  45   6.863   4.128   0.199
  292    HA   CYS  45           HA       CYS  45   5.253   6.439   0.975
  293   1HB   CYS  45          HB2       CYS  45   4.097   4.725   2.429
  294   2HB   CYS  45          HB1       CYS  45   4.102   4.339   0.711
  295    H    ARG  46           H        ARG  46   7.574   4.279   2.535
  296    HA   ARG  46           HA       ARG  46   7.657   6.179   4.849
  297   1HB   ARG  46          HB2       ARG  46   7.254   3.354   4.789
  298   2HB   ARG  46          HB1       ARG  46   8.834   3.654   5.514
  299   1HG   ARG  46          HG2       ARG  46   7.768   5.324   7.039
  300   2HG   ARG  46          HG1       ARG  46   6.196   4.876   6.373
  301   1HD   ARG  46          HD2       ARG  46   6.336   2.670   7.235
  302   2HD   ARG  46          HD1       ARG  46   8.066   2.813   7.541
  303    HE   ARG  46           HE       ARG  46   6.094   4.448   9.083
  304   1HH1  ARG  46          1HH2      ARG  46   7.898   1.608   9.173
  305   2HH1  ARG  46          2HH2      ARG  46   8.653   1.930  10.699
  306   1HH2  ARG  46          1HH1      ARG  46   7.441   5.172  10.915
  307   2HH2  ARG  46          2HH1      ARG  46   8.395   3.947  11.683
  308    H    ILE  47           H        ILE  47   9.602   7.161   5.188
  309    HA   ILE  47           HA       ILE  47  11.871   6.366   3.467
  310    HB   ILE  47           HB       ILE  47  12.900   8.469   4.255
  311   1HG1  ILE  47          2HG1      ILE  47  10.373   8.702   5.923
  312   2HG1  ILE  47          1HG1      ILE  47  11.998   8.431   6.552
  313   1HG2  ILE  47          1HG2      ILE  47  11.557   9.840   2.956
  314   2HG2  ILE  47          2HG2      ILE  47  10.063   9.220   3.660
  315   3HG2  ILE  47          3HG2      ILE  47  10.942   8.261   2.468
  316   1HD1  ILE  47          1HD1      ILE  47  12.419  10.640   6.504
  317   2HD1  ILE  47          2HD1      ILE  47  10.761  10.919   5.970
  318   3HD1  ILE  47          3HD1      ILE  47  12.045  10.695   4.782
  319    H    ALA  48           H        ALA  48  14.110   6.684   4.744
  320    HA   ALA  48           HA       ALA  48  13.875   5.008   7.211
  321   1HB   ALA  48          HB1       ALA  48  15.193   4.347   4.921
  322   2HB   ALA  48          HB2       ALA  48  15.654   3.756   6.518
  323   3HB   ALA  48          HB3       ALA  48  16.486   5.145   5.818
  324    H    ARG  49           H        ARG  49  13.599   7.762   7.494
  325    HA   ARG  49           HA       ARG  49  15.849   9.358   7.848
  326   1HB   ARG  49          HB2       ARG  49  14.582  10.330   9.852
  327   2HB   ARG  49          HB1       ARG  49  13.713  10.314   8.317
  328   1HG   ARG  49          HG2       ARG  49  13.246   7.802   9.565
  329   2HG   ARG  49          HG1       ARG  49  12.985   9.047  10.787
  330   1HD   ARG  49          HD2       ARG  49  11.852   9.556   8.080
  331   2HD   ARG  49          HD1       ARG  49  11.061   8.321   9.061
  332    HE   ARG  49           HE       ARG  49  11.460  11.131  10.016
  333   1HH1  ARG  49          1HH2      ARG  49  10.502   8.606  11.645
  334   2HH1  ARG  49          2HH2      ARG  49   8.811   8.968  11.749
  335   1HH2  ARG  49          1HH1      ARG  49   8.917  11.428   9.308
  336   2HH2  ARG  49          2HH1      ARG  49   7.913  10.563  10.424
  337    H    GLY  50           H        GLY  50  17.690   8.202   8.524
  338   1HA   GLY  50          HA2       GLY  50  18.743   8.146  10.932
  339   2HA   GLY  50          HA1       GLY  50  17.552   6.868  11.183
  340    H    ASP  51           H        ASP  51  18.617   4.944  11.118
  341    HA   ASP  51           HA       ASP  51  20.570   4.528   8.889
  342   1HB   ASP  51          HB2       ASP  51  20.822   4.079  11.783
  343   2HB   ASP  51          HB1       ASP  51  21.268   2.675  10.812
  344    H    MET  52           H        MET  52  18.515   3.787   7.786
  345    HA   MET  52           HA       MET  52  18.269   0.879   8.081
  346   1HB   MET  52          HB2       MET  52  15.599   2.128   8.049
  347   2HB   MET  52          HB1       MET  52  16.177   0.736   8.963
  348   1HG   MET  52          HG2       MET  52  17.291   2.239  10.566
  349   2HG   MET  52          HG1       MET  52  16.732   3.638   9.649
  350   1HE   MET  52          HE1       MET  52  16.213   3.440  12.666
  351   2HE   MET  52          HE2       MET  52  16.268   1.681  12.606
  352   3HE   MET  52          HE3       MET  52  14.829   2.490  13.223
  353    HA   PRO  53           HA       PRO  53  17.251   1.142   3.822
  354   1HB   PRO  53          HB2       PRO  53  15.310  -0.782   3.522
  355   2HB   PRO  53          HB1       PRO  53  17.023  -1.152   3.787
  356   1HG   PRO  53          HG2       PRO  53  14.743  -1.357   5.697
  357   2HG   PRO  53          HG1       PRO  53  16.268  -2.256   5.670
  358   1HD   PRO  53          HD2       PRO  53  15.657  -0.082   7.375
  359   2HD   PRO  53          HD1       PRO  53  17.271  -0.773   7.101
  360    H    ASP  54           H        ASP  54  15.164   1.187   2.251
  361    HA   ASP  54           HA       ASP  54  13.312   3.193   3.456
  362   1HB   ASP  54          HB2       ASP  54  13.530   2.655   0.504
  363   2HB   ASP  54          HB1       ASP  54  13.087   4.150   1.331
  364    H    ASP  55           H        ASP  55  11.017   3.080   2.643
  365    HA   ASP  55           HA       ASP  55  10.208   0.237   2.170
  366   1HB   ASP  55          HB2       ASP  55   9.137   2.323   4.035
  367   2HB   ASP  55          HB1       ASP  55   8.007   1.166   3.331
  368    H    ARG  56           H        ARG  56   9.444   0.085   0.112
  369    HA   ARG  56           HA       ARG  56   8.013   2.444  -1.017
  370   1HB   ARG  56          HB2       ARG  56   9.459   0.151  -2.365
  371   2HB   ARG  56          HB1       ARG  56   8.496   1.344  -3.236
  372   1HG   ARG  56          HG2       ARG  56  10.018   3.034  -2.892
  373   2HG   ARG  56          HG1       ARG  56  10.539   2.387  -1.334
  374   1HD   ARG  56          HD2       ARG  56  11.142   0.857  -3.848
  375   2HD   ARG  56          HD1       ARG  56  12.155   2.228  -3.397
  376    HE   ARG  56           HE       ARG  56  12.334   0.936  -1.120
  377   1HH1  ARG  56          1HH2      ARG  56  13.633   0.118  -3.984
  378   2HH1  ARG  56          2HH2      ARG  56  13.727  -1.589  -3.715
  379   1HH2  ARG  56          1HH1      ARG  56  11.748  -1.516  -0.867
  380   2HH2  ARG  56          2HH1      ARG  56  12.661  -2.515  -1.947
  381    H    CYS  57           H        CYS  57   5.884   2.192  -1.692
  382    HA   CYS  57           HA       CYS  57   4.364  -0.024  -0.715
  383   1HB   CYS  57          HB2       CYS  57   3.730   2.088  -2.788
  384   2HB   CYS  57          HB1       CYS  57   2.561   0.877  -2.269
  385    H    THR  58           H        THR  58   3.450  -1.787  -1.829
  386    HA   THR  58           HA       THR  58   5.081  -2.842  -3.996
  387    HB   THR  58           HB       THR  58   4.025  -4.861  -3.587
  388    HG1  THR  58           HG1      THR  58   1.910  -5.038  -3.398
  389   1HG2  THR  58          1HG2      THR  58   2.976  -3.865  -1.023
  390   2HG2  THR  58          2HG2      THR  58   4.638  -3.382  -1.357
  391   3HG2  THR  58          3HG2      THR  58   4.203  -5.091  -1.337
  392    H    GLY  59           H        GLY  59   2.685  -0.589  -4.015
  393   1HA   GLY  59          HA2       GLY  59   1.820   0.349  -6.068
  394   2HA   GLY  59          HA1       GLY  59   2.024  -1.224  -6.839
  395    H    GLN  60           H        GLN  60   0.790  -2.627  -4.529
  396    HA   GLN  60           HA       GLN  60  -2.049  -1.922  -5.132
  397   1HB   GLN  60          HB2       GLN  60  -0.954  -4.554  -4.094
  398   2HB   GLN  60          HB1       GLN  60  -2.593  -4.239  -4.663
  399   1HG   GLN  60          HG2       GLN  60  -0.971  -3.395  -6.771
  400   2HG   GLN  60          HG1       GLN  60  -0.202  -4.876  -6.200
  401   1HE2  GLN  60          1HE2      GLN  60  -0.936  -6.500  -7.600
  402   2HE2  GLN  60          2HE2      GLN  60  -2.566  -6.767  -7.992
  403    H    SER  61           H        SER  61   0.307  -1.803  -2.713
  404    HA   SER  61           HA       SER  61  -1.590  -2.165  -0.479
  405   1HB   SER  61          HB2       SER  61   1.216  -1.096  -0.222
  406   2HB   SER  61          HB1       SER  61   0.276  -2.012   0.952
  407    HG   SER  61           HG       SER  61   0.479  -3.823  -0.365
  408    H    ALA  62           H        ALA  62  -3.030  -0.477  -0.372
  409    HA   ALA  62           HA       ALA  62  -2.532   2.213  -1.145
  410   1HB   ALA  62          HB1       ALA  62  -4.793   1.834  -0.838
  411   2HB   ALA  62          HB2       ALA  62  -4.415   2.603   0.703
  412   3HB   ALA  62          HB3       ALA  62  -4.540   0.846   0.601
  413    H    ASP  63           H        ASP  63  -2.679   0.922   2.201
  414    HA   ASP  63           HA       ASP  63  -1.340   3.315   3.214
  415   1HB   ASP  63          HB2       ASP  63  -1.780   0.729   4.719
  416   2HB   ASP  63          HB1       ASP  63  -1.613   2.358   5.378
  417    H    CYS  64           H        CYS  64   0.623   2.840   4.769
  418    HA   CYS  64           HA       CYS  64   2.501   1.046   3.302
  419   1HB   CYS  64          HB2       CYS  64   3.007   3.409   2.914
  420   2HB   CYS  64          HB1       CYS  64   3.127   3.684   4.649
  421    HA   PRO  65           HA       PRO  65   2.812  -0.802   7.295
  422   1HB   PRO  65          HB2       PRO  65   4.393  -2.857   6.425
  423   2HB   PRO  65          HB1       PRO  65   2.643  -2.827   6.211
  424   1HG   PRO  65          HG2       PRO  65   4.800  -2.452   4.207
  425   2HG   PRO  65          HG1       PRO  65   3.116  -2.942   3.962
  426   1HD   PRO  65          HD2       PRO  65   4.219  -0.356   3.510
  427   2HD   PRO  65          HD1       PRO  65   2.500  -0.802   3.463
  428    H    ARG  66           H        ARG  66   4.839  -1.758   8.547
  429    HA   ARG  66           HA       ARG  66   7.117   0.130   8.114
  430   1HB   ARG  66          HB2       ARG  66   7.586  -0.237  10.551
  431   2HB   ARG  66          HB1       ARG  66   6.015   0.509  10.253
  432   1HG   ARG  66          HG2       ARG  66   5.964  -2.437  10.253
  433   2HG   ARG  66          HG1       ARG  66   6.406  -1.724  11.804
  434   1HD   ARG  66          HD2       ARG  66   4.284  -0.146  10.888
  435   2HD   ARG  66          HD1       ARG  66   3.812  -1.799  10.494
  436    HE   ARG  66           HE       ARG  66   3.359  -2.008  12.789
  437   1HH1  ARG  66          1HH1      ARG  66   4.939   0.894  12.592
  438   2HH1  ARG  66          2HH1      ARG  66   5.766   0.773  14.109
  439   1HH2  ARG  66          1HH2      ARG  66   4.916  -2.551  14.609
  440   2HH2  ARG  66          2HH2      ARG  66   5.752  -1.176  15.251
  441    H    TYR  67           H        TYR  67   9.271  -0.816   8.889
  442    HA   TYR  67           HA       TYR  67   9.504  -3.558   7.793
  443   1HB   TYR  67          HB2       TYR  67  11.083  -1.295   7.543
  444   2HB   TYR  67          HB1       TYR  67  11.971  -2.268   8.717
  445    HD1  TYR  67           HD1      TYR  67  10.182  -2.588   5.435
  446    HD2  TYR  67           HD2      TYR  67  13.362  -3.988   7.961
  447    HE1  TYR  67           HE1      TYR  67  10.981  -4.065   3.611
  448    HE2  TYR  67           HE2      TYR  67  14.160  -5.466   6.137
  449    HH   TYR  67           HH       TYR  67  13.957  -5.411   3.505
  450    H    HIS  68           H        HIS  68   9.725  -1.830  10.823
  451    HA   HIS  68           HA       HIS  68   9.888  -2.670  13.013
  452   1HB   HIS  68          HB2       HIS  68   8.420  -4.509  12.013
  453   2HB   HIS  68          HB1       HIS  68   9.904  -5.434  11.782
  454    HD1  HIS  68           HD1      HIS  68   8.646  -3.329  14.715
  455    HD2  HIS  68           HD2      HIS  68  10.084  -7.160  13.922
  456    HE1  HIS  68           HE1      HIS  68   8.763  -4.525  16.944
  Start of MODEL   11
    1   1H    GLY   1          HT1       GLY   1 -16.287 -10.731   8.828
    2   2H    GLY   1          HT2       GLY   1 -16.468  -9.172   9.481
    3   3H    GLY   1          HT3       GLY   1 -16.348 -10.519  10.510
    4   1HA   GLY   1          HA1       GLY   1 -14.185 -10.113  10.654
    5   2HA   GLY   1          HA2       GLY   1 -14.087 -10.664   8.981
    6    H    LYS   2           H        LYS   2 -12.293  -9.065   8.819
    7    HA   LYS   2           HA       LYS   2 -12.726  -6.252   9.154
    8   1HB   LYS   2          HB2       LYS   2 -10.465  -7.130   9.007
    9   2HB   LYS   2          HB1       LYS   2 -10.777  -7.764   7.391
   10   1HG   LYS   2          HG2       LYS   2 -11.086  -5.508   6.517
   11   2HG   LYS   2          HG1       LYS   2 -10.906  -4.828   8.134
   12   1HD   LYS   2          HD2       LYS   2  -8.623  -5.210   8.195
   13   2HD   LYS   2          HD1       LYS   2  -8.719  -6.580   7.086
   14   1HE   LYS   2          HE2       LYS   2  -9.177  -3.692   6.286
   15   2HE   LYS   2          HE1       LYS   2  -7.666  -4.567   6.044
   16   1HZ   LYS   2          HZ1       LYS   2 -10.073  -4.665   4.523
   17   2HZ   LYS   2          HZ2       LYS   2  -9.602  -6.215   5.034
   18   3HZ   LYS   2          HZ3       LYS   2  -8.530  -5.252   4.134
   19    H    GLU   3           H        GLU   3 -14.721  -5.712   8.150
   20    HA   GLU   3           HA       GLU   3 -14.769  -5.994   5.174
   21   1HB   GLU   3          HB2       GLU   3 -16.668  -6.987   6.569
   22   2HB   GLU   3          HB1       GLU   3 -17.122  -5.327   6.956
   23   1HG   GLU   3          HG2       GLU   3 -18.412  -5.621   5.068
   24   2HG   GLU   3          HG1       GLU   3 -16.926  -5.060   4.303
   25    H    CYS   4           H        CYS   4 -13.560  -3.882   7.121
   26    HA   CYS   4           HA       CYS   4 -14.994  -1.472   6.119
   27   1HB   CYS   4          HB2       CYS   4 -13.032  -1.998   8.324
   28   2HB   CYS   4          HB1       CYS   4 -13.209  -0.367   7.706
   29    H    ASP   5           H        ASP   5 -14.173  -0.477   4.332
   30    HA   ASP   5           HA       ASP   5 -11.483  -1.199   3.371
   31   1HB   ASP   5          HB2       ASP   5 -13.453  -0.884   1.809
   32   2HB   ASP   5          HB1       ASP   5 -13.395   0.838   2.190
   33    H    CYS   6           H        CYS   6 -13.166   1.517   4.849
   34    HA   CYS   6           HA       CYS   6 -10.504   2.788   5.313
   35   1HB   CYS   6          HB2       CYS   6 -12.795   4.645   4.965
   36   2HB   CYS   6          HB1       CYS   6 -11.112   4.835   4.483
   37    H    SER   7           H        SER   7 -10.459   4.088   7.284
   38    HA   SER   7           HA       SER   7 -12.405   3.090   9.280
   39   1HB   SER   7          HB2       SER   7 -10.790   3.490  10.866
   40   2HB   SER   7          HB1       SER   7  -9.736   3.351   9.463
   41    HG   SER   7           HG       SER   7 -10.051   5.423  11.059
   42    H    SER   8           H        SER   8 -12.595   5.470   7.161
   43    HA   SER   8           HA       SER   8 -13.695   7.434   9.130
   44   1HB   SER   8          HB2       SER   8 -12.388   7.810   6.441
   45   2HB   SER   8          HB1       SER   8 -13.435   9.050   7.123
   46    HG   SER   8           HG       SER   8 -10.917   8.693   7.633
   47    HA   PRO   9           HA       PRO   9 -17.482   6.138   7.098
   48   1HB   PRO   9          HB2       PRO   9 -19.139   7.387   8.907
   49   2HB   PRO   9          HB1       PRO   9 -18.398   5.800   9.189
   50   1HG   PRO   9          HG2       PRO   9 -17.678   8.446  10.366
   51   2HG   PRO   9          HG1       PRO   9 -17.446   6.820  11.030
   52   1HD   PRO   9          HD2       PRO   9 -15.445   8.405   9.816
   53   2HD   PRO   9          HD1       PRO   9 -15.328   6.668  10.165
   54    H    GLU  10           H        GLU  10 -16.648   9.419   8.137
   55    HA   GLU  10           HA       GLU  10 -18.646  10.708   6.454
   56   1HB   GLU  10          HB2       GLU  10 -17.420  11.642   8.569
   57   2HB   GLU  10          HB1       GLU  10 -16.136  12.056   7.431
   58   1HG   GLU  10          HG2       GLU  10 -17.578  13.470   6.164
   59   2HG   GLU  10          HG1       GLU  10 -19.018  12.841   6.964
   60    H    ASN  11           H        ASN  11 -15.828   9.052   5.780
   61    HA   ASN  11           HA       ASN  11 -14.710  10.714   3.700
   62   1HB   ASN  11          HB2       ASN  11 -13.438   8.923   4.865
   63   2HB   ASN  11          HB1       ASN  11 -14.489   7.718   4.122
   64   1HD2  ASN  11          1HD2      ASN  11 -11.571   7.981   3.697
   65   2HD2  ASN  11          2HD2      ASN  11 -11.354   8.283   2.040
   66    HA   PRO  12           HA       PRO  12 -17.875   9.758   0.717
   67   1HB   PRO  12          HB2       PRO  12 -16.676  11.062  -1.391
   68   2HB   PRO  12          HB1       PRO  12 -17.596  11.884  -0.118
   69   1HG   PRO  12          HG2       PRO  12 -14.637  11.745  -0.509
   70   2HG   PRO  12          HG1       PRO  12 -15.612  13.014   0.252
   71   1HD   PRO  12          HD2       PRO  12 -14.112  11.081   1.635
   72   2HD   PRO  12          HD1       PRO  12 -15.413  12.066   2.335
   73    H    CYS  13           H        CYS  13 -14.687   8.636   0.779
   74    HA   CYS  13           HA       CYS  13 -14.967   7.071  -1.728
   75   1HB   CYS  13          HB2       CYS  13 -12.711   7.890   0.041
   76   2HB   CYS  13          HB1       CYS  13 -12.563   6.334  -0.774
   77    H    CYS  14           H        CYS  14 -16.265   6.709   1.135
   78    HA   CYS  14           HA       CYS  14 -15.930   3.771   1.097
   79   1HB   CYS  14          HB2       CYS  14 -14.624   5.427   3.007
   80   2HB   CYS  14          HB1       CYS  14 -15.922   4.572   3.842
   81    H    ASP  15           H        ASP  15 -17.854   2.837   1.281
   82    HA   ASP  15           HA       ASP  15 -20.240   4.389   1.898
   83   1HB   ASP  15          HB2       ASP  15 -19.799   2.219   0.345
   84   2HB   ASP  15          HB1       ASP  15 -20.336   1.418   1.818
   85    H    ALA  16           H        ALA  16 -20.729   4.837   4.007
   86    HA   ALA  16           HA       ALA  16 -19.610   3.436   6.242
   87   1HB   ALA  16          HB1       ALA  16 -20.346   5.430   7.049
   88   2HB   ALA  16          HB2       ALA  16 -21.886   4.596   7.253
   89   3HB   ALA  16          HB3       ALA  16 -21.595   5.573   5.813
   90    H    ALA  17           H        ALA  17 -22.418   2.871   4.259
   91    HA   ALA  17           HA       ALA  17 -23.966   1.279   6.035
   92   1HB   ALA  17          HB1       ALA  17 -23.868   0.365   3.226
   93   2HB   ALA  17          HB2       ALA  17 -24.237   2.078   3.434
   94   3HB   ALA  17          HB3       ALA  17 -25.253   0.858   4.201
   95    H    THR  18           H        THR  18 -21.274   0.410   3.877
   96    HA   THR  18           HA       THR  18 -21.190  -2.251   5.244
   97    HB   THR  18           HB       THR  18 -20.239  -3.186   3.244
   98    HG1  THR  18           HG1      THR  18 -20.140  -1.474   1.432
   99   1HG2  THR  18          1HG2      THR  18 -22.048  -2.958   1.730
  100   2HG2  THR  18          2HG2      THR  18 -22.353  -1.291   2.219
  101   3HG2  THR  18          3HG2      THR  18 -22.748  -2.618   3.312
  102    H    CYS  19           H        CYS  19 -19.699   0.715   5.142
  103    HA   CYS  19           HA       CYS  19 -17.635   1.430   6.040
  104   1HB   CYS  19          HB2       CYS  19 -18.155  -0.718   7.521
  105   2HB   CYS  19          HB1       CYS  19 -16.832  -1.388   6.604
  106    H    LYS  20           H        LYS  20 -18.059  -0.134   3.286
  107    HA   LYS  20           HA       LYS  20 -15.136  -0.476   2.774
  108   1HB   LYS  20          HB2       LYS  20 -17.561  -1.840   1.716
  109   2HB   LYS  20          HB1       LYS  20 -16.165  -1.674   0.646
  110   1HG   LYS  20          HG2       LYS  20 -15.024  -2.473   3.031
  111   2HG   LYS  20          HG1       LYS  20 -16.530  -3.391   2.992
  112   1HD   LYS  20          HD2       LYS  20 -14.802  -4.686   1.870
  113   2HD   LYS  20          HD1       LYS  20 -15.963  -4.127   0.666
  114   1HE   LYS  20          HE2       LYS  20 -14.333  -2.070   0.469
  115   2HE   LYS  20          HE1       LYS  20 -13.158  -3.182   1.171
  116   1HZ   LYS  20          HZ1       LYS  20 -14.120  -3.074  -1.476
  117   2HZ   LYS  20          HZ2       LYS  20 -14.518  -4.581  -0.800
  118   3HZ   LYS  20          HZ3       LYS  20 -12.902  -4.060  -0.829
  119    H    LEU  21           H        LEU  21 -14.661  -0.047   0.305
  120    HA   LEU  21           HA       LEU  21 -14.909   2.696  -0.181
  121   1HB   LEU  21          HB2       LEU  21 -14.445   0.366  -2.015
  122   2HB   LEU  21          HB1       LEU  21 -14.560   2.009  -2.650
  123    HG   LEU  21           HG       LEU  21 -12.817   1.627  -0.279
  124   1HD1  LEU  21          1HD1      LEU  21 -12.454  -0.306  -2.019
  125   2HD1  LEU  21          2HD1      LEU  21 -11.057   0.570  -1.393
  126   3HD1  LEU  21          3HD1      LEU  21 -11.703   0.962  -2.985
  127   1HD2  LEU  21          1HD2      LEU  21 -11.838   3.532  -1.073
  128   2HD2  LEU  21          2HD2      LEU  21 -13.378   3.692  -1.916
  129   3HD2  LEU  21          3HD2      LEU  21 -11.979   3.024  -2.756
  130    H    ARG  22           H        ARG  22 -16.350   3.973  -1.253
  131    HA   ARG  22           HA       ARG  22 -19.030   2.816  -1.720
  132   1HB   ARG  22          HB2       ARG  22 -18.239   5.183  -0.572
  133   2HB   ARG  22          HB1       ARG  22 -18.669   5.699  -2.204
  134   1HG   ARG  22          HG2       ARG  22 -20.452   3.990  -0.451
  135   2HG   ARG  22          HG1       ARG  22 -20.599   5.742  -0.597
  136   1HD   ARG  22          HD2       ARG  22 -20.465   4.757  -3.239
  137   2HD   ARG  22          HD1       ARG  22 -21.577   3.691  -2.380
  138    HE   ARG  22           HE       ARG  22 -22.993   5.616  -1.922
  139   1HH1  ARG  22          1HH1      ARG  22 -20.014   6.858  -2.851
  140   2HH1  ARG  22          2HH1      ARG  22 -20.653   8.096  -3.878
  141   1HH2  ARG  22          1HH2      ARG  22 -23.919   6.947  -3.675
  142   2HH2  ARG  22          2HH2      ARG  22 -22.865   8.146  -4.347
  143    HA   PRO  23           HA       PRO  23 -18.093   4.702  -5.981
  144   1HB   PRO  23          HB2       PRO  23 -15.635   5.846  -6.398
  145   2HB   PRO  23          HB1       PRO  23 -17.035   6.738  -5.777
  146   1HG   PRO  23          HG2       PRO  23 -14.604   5.836  -4.329
  147   2HG   PRO  23          HG1       PRO  23 -15.734   7.136  -3.919
  148   1HD   PRO  23          HD2       PRO  23 -15.635   4.521  -2.775
  149   2HD   PRO  23          HD1       PRO  23 -16.865   5.766  -2.477
  150    H    GLY  24           H        GLY  24 -15.990   4.454  -7.758
  151   1HA   GLY  24          HA2       GLY  24 -15.431   1.566  -7.609
  152   2HA   GLY  24          HA1       GLY  24 -15.106   2.614  -8.990
  153    H    ALA  25           H        ALA  25 -14.075   3.882  -5.993
  154    HA   ALA  25           HA       ALA  25 -11.314   3.916  -6.771
  155   1HB   ALA  25          HB1       ALA  25 -11.472   5.561  -5.218
  156   2HB   ALA  25          HB2       ALA  25 -11.373   4.286  -4.003
  157   3HB   ALA  25          HB3       ALA  25 -12.947   4.871  -4.541
  158    H    GLN  26           H        GLN  26  -9.545   2.737  -5.781
  159    HA   GLN  26           HA       GLN  26 -10.290  -0.021  -5.073
  160   1HB   GLN  26          HB2       GLN  26  -8.013   1.284  -6.229
  161   2HB   GLN  26          HB1       GLN  26  -7.487   0.421  -4.784
  162   1HG   GLN  26          HG2       GLN  26  -7.915  -1.624  -5.691
  163   2HG   GLN  26          HG1       GLN  26  -9.378  -1.064  -6.502
  164   1HE2  GLN  26          1HE2      GLN  26  -7.442  -2.695  -7.860
  165   2HE2  GLN  26          2HE2      GLN  26  -6.724  -1.759  -9.081
  166    H    CYS  27           H        CYS  27  -9.170   2.893  -3.528
  167    HA   CYS  27           HA       CYS  27  -9.628   1.672  -0.901
  168   1HB   CYS  27          HB2       CYS  27  -7.457   1.310  -0.403
  169   2HB   CYS  27          HB1       CYS  27  -6.980   1.899  -1.986
  170    H    GLY  28           H        GLY  28 -10.053   3.292   0.704
  171   1HA   GLY  28          HA2       GLY  28 -10.673   5.934  -0.489
  172   2HA   GLY  28          HA1       GLY  28 -11.338   5.320   1.020
  173    H    GLU  29           H        GLU  29  -8.597   4.426   1.857
  174    HA   GLU  29           HA       GLU  29  -7.193   7.010   2.130
  175   1HB   GLU  29          HB2       GLU  29  -7.243   6.987   4.525
  176   2HB   GLU  29          HB1       GLU  29  -8.904   6.820   3.975
  177   1HG   GLU  29          HG2       GLU  29  -8.949   5.046   5.400
  178   2HG   GLU  29          HG1       GLU  29  -8.145   4.206   4.073
  179    H    GLY  30           H        GLY  30  -4.977   6.750   2.692
  180   1HA   GLY  30          HA2       GLY  30  -3.612   4.593   3.718
  181   2HA   GLY  30          HA1       GLY  30  -3.876   4.123   2.038
  182    H    LEU  31           H        LEU  31  -1.282   4.614   3.152
  183    HA   LEU  31           HA       LEU  31  -0.343   7.268   2.567
  184   1HB   LEU  31          HB2       LEU  31   0.796   4.772   3.436
  185   2HB   LEU  31          HB1       LEU  31   1.768   5.422   2.118
  186    HG   LEU  31           HG       LEU  31   0.935   6.963   4.593
  187   1HD1  LEU  31          1HD1      LEU  31   2.692   5.922   5.555
  188   2HD1  LEU  31          2HD1      LEU  31   3.725   6.791   4.420
  189   3HD1  LEU  31          3HD1      LEU  31   3.156   5.168   4.030
  190   1HD2  LEU  31          1HD2      LEU  31   2.184   8.775   3.723
  191   2HD2  LEU  31          2HD2      LEU  31   1.287   8.176   2.327
  192   3HD2  LEU  31          3HD2      LEU  31   2.989   7.757   2.528
  193    H    CYS  32           H        CYS  32  -0.328   4.250   0.665
  194    HA   CYS  32           HA       CYS  32   0.523   5.827  -1.704
  195   1HB   CYS  32          HB2       CYS  32   0.357   2.841  -1.223
  196   2HB   CYS  32          HB1       CYS  32   0.854   3.575  -2.747
  197    H    CYS  33           H        CYS  33  -1.986   6.536  -1.108
  198    HA   CYS  33           HA       CYS  33  -3.622   5.032  -3.106
  199   1HB   CYS  33          HB2       CYS  33  -4.275   5.833  -0.315
  200   2HB   CYS  33          HB1       CYS  33  -5.549   6.046  -1.514
  201    H    GLU  34           H        GLU  34  -3.601   6.439  -4.816
  202    HA   GLU  34           HA       GLU  34  -4.070   9.331  -4.250
  203   1HB   GLU  34          HB2       GLU  34  -3.268   8.226  -6.935
  204   2HB   GLU  34          HB1       GLU  34  -2.977   9.834  -6.269
  205   1HG   GLU  34          HG2       GLU  34  -1.353   8.951  -4.695
  206   2HG   GLU  34          HG1       GLU  34  -1.726   7.296  -5.180
  207    H    GLN  35           H        GLN  35  -6.039  10.159  -4.796
  208    HA   GLN  35           HA       GLN  35  -8.197  10.278  -5.671
  209   1HB   GLN  35          HB2       GLN  35  -8.302  10.038  -7.932
  210   2HB   GLN  35          HB1       GLN  35  -6.582   9.696  -7.813
  211   1HG   GLN  35          HG2       GLN  35  -7.526   7.213  -7.359
  212   2HG   GLN  35          HG1       GLN  35  -8.857   7.841  -8.326
  213   1HE2  GLN  35          1HE2      GLN  35  -8.285   8.712 -10.521
  214   2HE2  GLN  35          2HE2      GLN  35  -6.903   8.124 -11.312
  215    H    CYS  36           H        CYS  36  -7.332   8.188  -3.766
  216    HA   CYS  36           HA       CYS  36  -8.327   6.391  -2.646
  217   1HB   CYS  36          HB2       CYS  36 -10.593   7.055  -4.551
  218   2HB   CYS  36          HB1       CYS  36 -10.709   5.854  -3.263
  219    H    LYS  37           H        LYS  37  -6.540   5.902  -4.806
  220    HA   LYS  37           HA       LYS  37  -7.547   3.232  -5.663
  221   1HB   LYS  37          HB2       LYS  37  -6.713   5.499  -7.375
  222   2HB   LYS  37          HB1       LYS  37  -5.988   3.946  -7.791
  223   1HG   LYS  37          HG2       LYS  37  -8.430   3.034  -7.555
  224   2HG   LYS  37          HG1       LYS  37  -8.892   4.725  -7.758
  225   1HD   LYS  37          HD2       LYS  37  -7.026   4.409  -9.751
  226   2HD   LYS  37          HD1       LYS  37  -7.808   2.829  -9.732
  227   1HE   LYS  37          HE2       LYS  37  -9.739   3.653 -10.582
  228   2HE   LYS  37          HE1       LYS  37  -9.706   5.053  -9.510
  229   1HZ   LYS  37          HZ1       LYS  37  -7.632   5.192 -11.447
  230   2HZ   LYS  37          HZ2       LYS  37  -8.872   6.306 -11.116
  231   3HZ   LYS  37          HZ3       LYS  37  -9.144   5.025 -12.200
  232    H    PHE  38           H        PHE  38  -5.745   1.745  -6.194
  233    HA   PHE  38           HA       PHE  38  -3.576   1.998  -4.304
  234   1HB   PHE  38          HB2       PHE  38  -4.193   0.065  -6.537
  235   2HB   PHE  38          HB1       PHE  38  -2.677  -0.025  -5.645
  236    HD1  PHE  38           HD2      PHE  38  -2.963   0.135  -2.990
  237    HD2  PHE  38           HD1      PHE  38  -6.000  -1.160  -5.738
  238    HE1  PHE  38           HE2      PHE  38  -4.114  -1.069  -1.151
  239    HE2  PHE  38           HE1      PHE  38  -7.150  -2.365  -3.899
  240    HZ   PHE  38           HZ       PHE  38  -6.208  -2.319  -1.606
  241    H    SER  39           H        SER  39  -1.624   2.971  -4.607
  242    HA   SER  39           HA       SER  39  -1.074   4.400  -7.059
  243   1HB   SER  39          HB2       SER  39   0.724   3.786  -4.694
  244   2HB   SER  39          HB1       SER  39   1.092   4.939  -5.973
  245    HG   SER  39           HG       SER  39  -1.370   5.153  -4.677
  246    H    ARG  40           H        ARG  40   1.905   3.129  -6.284
  247    HA   ARG  40           HA       ARG  40   1.582   0.761  -8.048
  248   1HB   ARG  40          HB2       ARG  40   3.638   1.486  -9.314
  249   2HB   ARG  40          HB1       ARG  40   2.227   2.509  -9.588
  250   1HG   ARG  40          HG2       ARG  40   3.201   3.881  -7.556
  251   2HG   ARG  40          HG1       ARG  40   4.713   3.095  -8.013
  252   1HD   ARG  40          HD2       ARG  40   4.634   5.161  -9.230
  253   2HD   ARG  40          HD1       ARG  40   4.268   3.884 -10.391
  254    HE   ARG  40           HE       ARG  40   1.847   4.917  -9.207
  255   1HH1  ARG  40          1HH1      ARG  40   3.205   4.404 -12.120
  256   2HH1  ARG  40          2HH1      ARG  40   2.722   5.895 -12.861
  257   1HH2  ARG  40          1HH2      ARG  40   1.701   7.348  -9.881
  258   2HH2  ARG  40          2HH2      ARG  40   1.871   7.563 -11.591
  259    H    ALA  41           H        ALA  41   3.540  -0.642  -7.971
  260    HA   ALA  41           HA       ALA  41   4.467  -0.973  -5.258
  261   1HB   ALA  41          HB1       ALA  41   6.049  -2.331  -7.320
  262   2HB   ALA  41          HB2       ALA  41   4.315  -2.588  -7.507
  263   3HB   ALA  41          HB3       ALA  41   5.113  -3.019  -5.994
  264    H    GLY  42           H        GLY  42   6.691  -0.809  -4.534
  265   1HA   GLY  42          HA2       GLY  42   8.831   0.171  -4.461
  266   2HA   GLY  42          HA1       GLY  42   8.703   0.452  -6.198
  267    H    LYS  43           H        LYS  43   6.163   1.587  -4.087
  268    HA   LYS  43           HA       LYS  43   6.873   4.366  -4.842
  269   1HB   LYS  43          HB2       LYS  43   4.588   4.131  -5.158
  270   2HB   LYS  43          HB1       LYS  43   4.409   3.008  -3.816
  271   1HG   LYS  43          HG2       LYS  43   3.378   5.138  -3.211
  272   2HG   LYS  43          HG1       LYS  43   4.821   4.905  -2.231
  273   1HD   LYS  43          HD2       LYS  43   5.557   6.899  -2.969
  274   2HD   LYS  43          HD1       LYS  43   5.724   6.175  -4.569
  275   1HE   LYS  43          HE2       LYS  43   2.966   6.743  -4.205
  276   2HE   LYS  43          HE1       LYS  43   3.857   8.180  -3.703
  277   1HZ   LYS  43          HZ1       LYS  43   3.310   8.052  -6.125
  278   2HZ   LYS  43          HZ2       LYS  43   4.391   6.746  -6.241
  279   3HZ   LYS  43          HZ3       LYS  43   4.954   8.280  -5.776
  280    H    ILE  44           H        ILE  44   8.010   5.619  -3.470
  281    HA   ILE  44           HA       ILE  44   8.845   4.734  -0.887
  282    HB   ILE  44           HB       ILE  44  10.122   6.369  -2.196
  283   1HG1  ILE  44          2HG1      ILE  44  10.611   7.944  -0.381
  284   2HG1  ILE  44          1HG1      ILE  44   9.068   7.566   0.387
  285   1HG2  ILE  44          1HG2      ILE  44   8.624   8.741  -1.598
  286   2HG2  ILE  44          2HG2      ILE  44   7.568   7.604  -2.437
  287   3HG2  ILE  44          3HG2      ILE  44   9.087   8.108  -3.177
  288   1HD1  ILE  44          1HD1      ILE  44  10.977   6.330   1.413
  289   2HD1  ILE  44          2HD1      ILE  44  11.267   5.545  -0.139
  290   3HD1  ILE  44          3HD1      ILE  44   9.761   5.252   0.731
  291    H    CYS  45           H        CYS  45   6.891   4.189   0.241
  292    HA   CYS  45           HA       CYS  45   4.863   6.223   0.813
  293   1HB   CYS  45          HB2       CYS  45   4.142   4.524   2.552
  294   2HB   CYS  45          HB1       CYS  45   4.110   3.948   0.889
  295    H    ARG  46           H        ARG  46   7.654   4.804   2.421
  296    HA   ARG  46           HA       ARG  46   7.470   6.980   4.474
  297   1HB   ARG  46          HB2       ARG  46   7.349   4.205   4.912
  298   2HB   ARG  46          HB1       ARG  46   8.986   4.673   5.373
  299   1HG   ARG  46          HG2       ARG  46   6.495   6.113   6.326
  300   2HG   ARG  46          HG1       ARG  46   7.311   4.850   7.247
  301   1HD   ARG  46          HD2       ARG  46   9.383   6.553   6.532
  302   2HD   ARG  46          HD1       ARG  46   8.054   7.656   6.889
  303    HE   ARG  46           HE       ARG  46   8.284   5.643   8.942
  304   1HH1  ARG  46          1HH2      ARG  46  10.951   7.218   8.046
  305   2HH1  ARG  46          2HH2      ARG  46  11.055   8.303   9.393
  306   1HH2  ARG  46          1HH1      ARG  46   7.854   7.616  10.535
  307   2HH2  ARG  46          2HH1      ARG  46   9.303   8.529  10.800
  308    H    ILE  47           H        ILE  47   9.221   8.296   4.481
  309    HA   ILE  47           HA       ILE  47  11.663   7.375   3.036
  310    HB   ILE  47           HB       ILE  47  10.554   9.483   2.256
  311   1HG1  ILE  47          2HG1      ILE  47  12.752  10.916   2.683
  312   2HG1  ILE  47          1HG1      ILE  47  13.352   9.389   3.329
  313   1HG2  ILE  47          1HG2      ILE  47  11.474  10.602   4.920
  314   2HG2  ILE  47          2HG2      ILE  47   9.804  10.147   4.579
  315   3HG2  ILE  47          3HG2      ILE  47  10.569  11.445   3.662
  316   1HD1  ILE  47          1HD1      ILE  47  12.651   8.273   1.198
  317   2HD1  ILE  47          2HD1      ILE  47  13.901   9.495   0.963
  318   3HD1  ILE  47          3HD1      ILE  47  12.224   9.860   0.555
  319    H    ALA  48           H        ALA  48  13.529   7.064   4.183
  320    HA   ALA  48           HA       ALA  48  13.444   7.619   7.097
  321   1HB   ALA  48          HB1       ALA  48  15.242   5.921   5.355
  322   2HB   ALA  48          HB2       ALA  48  14.120   5.381   6.605
  323   3HB   ALA  48          HB3       ALA  48  15.597   6.234   7.055
  324    H    ARG  49           H        ARG  49  14.979   8.951   8.112
  325    HA   ARG  49           HA       ARG  49  16.613  10.620   6.244
  326   1HB   ARG  49          HB2       ARG  49  15.046  11.239   8.710
  327   2HB   ARG  49          HB1       ARG  49  16.538  12.144   8.446
  328   1HG   ARG  49          HG2       ARG  49  14.271  11.881   6.447
  329   2HG   ARG  49          HG1       ARG  49  14.601  13.304   7.437
  330   1HD   ARG  49          HD2       ARG  49  17.056  12.746   6.253
  331   2HD   ARG  49          HD1       ARG  49  15.891  12.431   4.967
  332    HE   ARG  49           HE       ARG  49  15.090  14.753   5.235
  333   1HH1  ARG  49          1HH2      ARG  49  16.048  15.324   7.989
  334   2HH1  ARG  49          2HH2      ARG  49  17.461  16.284   7.705
  335   1HH2  ARG  49          1HH1      ARG  49  17.752  15.349   4.379
  336   2HH2  ARG  49          2HH1      ARG  49  18.426  16.299   5.661
  337    H    GLY  50           H        GLY  50  18.655   9.753   6.301
  338   1HA   GLY  50          HA2       GLY  50  20.624  10.101   8.024
  339   2HA   GLY  50          HA1       GLY  50  19.748   8.859   8.919
  340    H    ASP  51           H        ASP  51  21.266   7.194   8.709
  341    HA   ASP  51           HA       ASP  51  22.128   6.459   5.957
  342   1HB   ASP  51          HB2       ASP  51  23.478   6.496   8.403
  343   2HB   ASP  51          HB1       ASP  51  23.162   4.785   8.106
  344    H    MET  52           H        MET  52  19.396   6.006   6.730
  345    HA   MET  52           HA       MET  52  19.350   3.019   6.900
  346   1HB   MET  52          HB2       MET  52  17.364   5.109   7.818
  347   2HB   MET  52          HB1       MET  52  16.936   3.406   7.660
  348   1HG   MET  52          HG2       MET  52  19.128   3.046   9.094
  349   2HG   MET  52          HG1       MET  52  18.828   4.715   9.582
  350   1HE   MET  52          HE1       MET  52  17.338   3.908  12.639
  351   2HE   MET  52          HE2       MET  52  16.792   5.248  11.633
  352   3HE   MET  52          HE3       MET  52  18.483   4.755  11.590
  353    HA   PRO  53           HA       PRO  53  17.462   2.954   2.941
  354   1HB   PRO  53          HB2       PRO  53  15.806   0.773   3.207
  355   2HB   PRO  53          HB1       PRO  53  17.565   0.653   3.031
  356   1HG   PRO  53          HG2       PRO  53  15.892   0.279   5.472
  357   2HG   PRO  53          HG1       PRO  53  17.471  -0.418   5.077
  358   1HD   PRO  53          HD2       PRO  53  17.021   1.757   6.822
  359   2HD   PRO  53          HD1       PRO  53  18.591   1.279   6.141
  360    H    ASP  54           H        ASP  54  15.097   2.670   1.927
  361    HA   ASP  54           HA       ASP  54  13.255   4.323   3.606
  362   1HB   ASP  54          HB2       ASP  54  12.918   4.146   0.641
  363   2HB   ASP  54          HB1       ASP  54  12.608   5.501   1.726
  364    H    ASP  55           H        ASP  55  10.870   4.002   2.709
  365    HA   ASP  55           HA       ASP  55  10.413   1.048   2.573
  366   1HB   ASP  55          HB2       ASP  55   9.444   2.896   4.411
  367   2HB   ASP  55          HB1       ASP  55   8.103   2.700   3.285
  368    H    ARG  56           H        ARG  56   9.397   0.293   0.742
  369    HA   ARG  56           HA       ARG  56   8.151   2.352  -1.029
  370   1HB   ARG  56          HB2       ARG  56   9.435  -0.206  -1.995
  371   2HB   ARG  56          HB1       ARG  56   8.978   1.208  -2.944
  372   1HG   ARG  56          HG2       ARG  56  10.639   2.442  -1.276
  373   2HG   ARG  56          HG1       ARG  56  11.326   0.825  -1.130
  374   1HD   ARG  56          HD2       ARG  56  10.836   1.280  -3.896
  375   2HD   ARG  56          HD1       ARG  56  11.652   2.712  -3.269
  376    HE   ARG  56           HE       ARG  56  12.908   0.228  -2.405
  377   1HH1  ARG  56          1HH1      ARG  56  12.396   1.223  -5.512
  378   2HH1  ARG  56          2HH1      ARG  56  14.056   1.523  -5.904
  379   1HH2  ARG  56          1HH2      ARG  56  15.164   1.194  -2.636
  380   2HH2  ARG  56          2HH2      ARG  56  15.623   1.502  -4.277
  381    H    CYS  57           H        CYS  57   6.024   2.013  -1.480
  382    HA   CYS  57           HA       CYS  57   4.538  -0.162  -0.362
  383   1HB   CYS  57          HB2       CYS  57   3.932   1.887  -2.479
  384   2HB   CYS  57          HB1       CYS  57   2.793   0.588  -2.152
  385    H    THR  58           H        THR  58   3.236  -1.734  -1.692
  386    HA   THR  58           HA       THR  58   4.952  -2.887  -3.838
  387    HB   THR  58           HB       THR  58   4.209  -5.002  -3.212
  388    HG1  THR  58           HG1      THR  58   2.003  -3.842  -1.877
  389   1HG2  THR  58          1HG2      THR  58   5.431  -3.970  -1.329
  390   2HG2  THR  58          2HG2      THR  58   4.213  -5.109  -0.753
  391   3HG2  THR  58          3HG2      THR  58   3.906  -3.374  -0.673
  392    H    GLY  59           H        GLY  59   2.821  -0.702  -4.032
  393   1HA   GLY  59          HA2       GLY  59   1.391  -0.107  -5.820
  394   2HA   GLY  59          HA1       GLY  59   1.593  -1.731  -6.475
  395    H    GLN  60           H        GLN  60   0.617  -3.435  -4.731
  396    HA   GLN  60           HA       GLN  60  -2.233  -2.756  -4.596
  397   1HB   GLN  60          HB2       GLN  60  -0.909  -5.256  -3.527
  398   2HB   GLN  60          HB1       GLN  60  -2.581  -5.055  -4.054
  399   1HG   GLN  60          HG2       GLN  60  -1.711  -4.559  -6.366
  400   2HG   GLN  60          HG1       GLN  60  -0.102  -4.998  -5.794
  401   1HE2  GLN  60          1HE2      GLN  60  -1.479  -7.081  -3.946
  402   2HE2  GLN  60          2HE2      GLN  60  -1.803  -8.381  -4.987
  403    H    SER  61           H        SER  61   0.144  -1.757  -2.710
  404    HA   SER  61           HA       SER  61  -1.250  -2.357  -0.139
  405   1HB   SER  61          HB2       SER  61   1.515  -2.181  -0.869
  406   2HB   SER  61          HB1       SER  61   1.166  -0.911   0.299
  407    HG   SER  61           HG       SER  61   0.488  -3.660   0.564
  408    H    ALA  62           H        ALA  62  -2.804  -0.807   0.159
  409    HA   ALA  62           HA       ALA  62  -2.501   1.926  -0.789
  410   1HB   ALA  62          HB1       ALA  62  -4.551   2.241   0.791
  411   2HB   ALA  62          HB2       ALA  62  -4.496   0.487   0.959
  412   3HB   ALA  62          HB3       ALA  62  -4.746   1.213  -0.629
  413    H    ASP  63           H        ASP  63  -1.745   0.187   2.129
  414    HA   ASP  63           HA       ASP  63  -1.068   2.757   3.492
  415   1HB   ASP  63          HB2       ASP  63  -1.539  -0.041   4.561
  416   2HB   ASP  63          HB1       ASP  63  -0.897   1.275   5.545
  417    H    CYS  64           H        CYS  64   0.940   2.198   5.103
  418    HA   CYS  64           HA       CYS  64   2.975   0.742   3.482
  419   1HB   CYS  64          HB2       CYS  64   3.243   3.124   3.065
  420   2HB   CYS  64          HB1       CYS  64   3.329   3.451   4.792
  421    HA   PRO  65           HA       PRO  65   3.347  -1.008   7.554
  422   1HB   PRO  65          HB2       PRO  65   4.436  -3.329   6.593
  423   2HB   PRO  65          HB1       PRO  65   2.700  -3.026   6.651
  424   1HG   PRO  65          HG2       PRO  65   4.527  -3.105   4.319
  425   2HG   PRO  65          HG1       PRO  65   2.768  -3.300   4.369
  426   1HD   PRO  65          HD2       PRO  65   4.214  -0.967   3.591
  427   2HD   PRO  65          HD1       PRO  65   2.457  -1.108   3.805
  428    H    ARG  66           H        ARG  66   5.549  -2.755   7.975
  429    HA   ARG  66           HA       ARG  66   7.732  -0.798   8.123
  430   1HB   ARG  66          HB2       ARG  66   7.550  -3.686   9.035
  431   2HB   ARG  66          HB1       ARG  66   8.902  -2.606   9.377
  432   1HG   ARG  66          HG2       ARG  66   6.120  -1.728  10.079
  433   2HG   ARG  66          HG1       ARG  66   6.954  -2.869  11.136
  434   1HD   ARG  66          HD2       ARG  66   8.561  -0.538  10.265
  435   2HD   ARG  66          HD1       ARG  66   7.214  -0.170  11.342
  436    HE   ARG  66           HE       ARG  66   8.219  -1.737  12.984
  437   1HH1  ARG  66          1HH1      ARG  66  10.216   0.465  11.868
  438   2HH1  ARG  66          2HH1      ARG  66  11.676  -0.468  11.882
  439   1HH2  ARG  66          1HH2      ARG  66  10.048  -3.502  12.303
  440   2HH2  ARG  66          2HH2      ARG  66  11.580  -2.714  12.125
  441    H    TYR  67           H        TYR  67  10.017  -2.222   7.769
  442    HA   TYR  67           HA       TYR  67   9.853  -3.021   4.892
  443   1HB   TYR  67          HB2       TYR  67  11.263  -0.969   5.711
  444   2HB   TYR  67          HB1       TYR  67  12.406  -2.199   6.252
  445    HD1  TYR  67           HD1      TYR  67  10.235  -1.608   3.239
  446    HD2  TYR  67           HD2      TYR  67  14.107  -2.690   4.751
  447    HE1  TYR  67           HE1      TYR  67  11.072  -1.859   0.918
  448    HE2  TYR  67           HE2      TYR  67  14.944  -2.941   2.430
  449    HH   TYR  67           HH       TYR  67  13.923  -1.722  -0.031
  450    H    HIS  68           H        HIS  68   9.187  -5.081   6.426
  451    HA   HIS  68           HA       HIS  68  11.219  -6.602   7.677
  452   1HB   HIS  68          HB2       HIS  68   8.897  -7.260   7.887
  453   2HB   HIS  68          HB1       HIS  68   8.764  -7.504   6.145
  454    HD1  HIS  68           HD1      HIS  68  11.945  -8.649   7.606
  455    HD2  HIS  68           HD2      HIS  68   8.203 -10.311   6.822
  456    HE1  HIS  68           HE1      HIS  68  12.229 -11.161   7.767
  Start of MODEL   12
    1   1H    GLY   1          HT1       GLY   1 -10.954  -5.820  10.148
    2   2H    GLY   1          HT2       GLY   1 -11.444  -7.395  10.555
    3   3H    GLY   1          HT3       GLY   1 -11.881  -6.729   9.055
    4   1HA   GLY   1          HA1       GLY   1  -9.034  -6.802   9.584
    5   2HA   GLY   1          HA2       GLY   1  -9.812  -8.373   9.399
    6    H    LYS   2           H        LYS   2 -11.282  -8.555   7.429
    7    HA   LYS   2           HA       LYS   2 -10.092  -7.003   5.163
    8   1HB   LYS   2          HB2       LYS   2  -9.892  -9.685   5.514
    9   2HB   LYS   2          HB1       LYS   2 -11.400  -9.606   4.604
   10   1HG   LYS   2          HG2       LYS   2 -10.299  -9.135   2.696
   11   2HG   LYS   2          HG1       LYS   2  -9.434  -7.807   3.469
   12   1HD   LYS   2          HD2       LYS   2  -7.579  -9.066   3.841
   13   2HD   LYS   2          HD1       LYS   2  -8.521 -10.490   4.285
   14   1HE   LYS   2          HE2       LYS   2  -8.235  -9.506   1.433
   15   2HE   LYS   2          HE1       LYS   2  -7.195 -10.741   2.145
   16   1HZ   LYS   2          HZ1       LYS   2 -10.126 -11.008   2.272
   17   2HZ   LYS   2          HZ2       LYS   2  -8.935 -12.217   2.348
   18   3HZ   LYS   2          HZ3       LYS   2  -9.289 -11.462   0.869
   19    H    GLU   3           H        GLU   3 -12.413  -6.182   6.719
   20    HA   GLU   3           HA       GLU   3 -14.518  -6.428   4.604
   21   1HB   GLU   3          HB2       GLU   3 -14.700  -7.168   7.305
   22   2HB   GLU   3          HB1       GLU   3 -15.544  -5.622   7.200
   23   1HG   GLU   3          HG2       GLU   3 -16.225  -7.252   4.921
   24   2HG   GLU   3          HG1       GLU   3 -16.514  -8.159   6.407
   25    H    CYS   4           H        CYS   4 -12.274  -4.373   5.791
   26    HA   CYS   4           HA       CYS   4 -14.012  -2.016   5.243
   27   1HB   CYS   4          HB2       CYS   4 -13.333  -2.355   7.700
   28   2HB   CYS   4          HB1       CYS   4 -11.717  -1.975   7.181
   29    H    ASP   5           H        ASP   5 -13.136  -0.534   3.816
   30    HA   ASP   5           HA       ASP   5 -10.435  -1.192   2.729
   31   1HB   ASP   5          HB2       ASP   5 -12.585  -1.222   1.256
   32   2HB   ASP   5          HB1       ASP   5 -12.478   0.535   1.339
   33    H    CYS   6           H        CYS   6 -12.244   1.160   4.454
   34    HA   CYS   6           HA       CYS   6  -9.954   3.065   4.182
   35   1HB   CYS   6          HB2       CYS   6 -11.577   4.935   4.368
   36   2HB   CYS   6          HB1       CYS   6 -11.856   3.968   2.920
   37    H    SER   7           H        SER   7  -9.364   4.107   6.122
   38    HA   SER   7           HA       SER   7 -10.329   2.764   8.561
   39   1HB   SER   7          HB2       SER   7  -8.354   4.992   8.689
   40   2HB   SER   7          HB1       SER   7  -8.369   3.455   9.548
   41    HG   SER   7           HG       SER   7  -6.751   3.515   7.936
   42    H    SER   8           H        SER   8 -10.534   5.925   7.014
   43    HA   SER   8           HA       SER   8 -11.806   7.102   9.399
   44   1HB   SER   8          HB2       SER   8 -10.786   8.104   6.796
   45   2HB   SER   8          HB1       SER   8 -12.145   8.984   7.489
   46    HG   SER   8           HG       SER   8 -10.893   9.681   9.039
   47    HA   PRO   9           HA       PRO   9 -15.803   5.851   7.894
   48   1HB   PRO   9          HB2       PRO   9 -17.237   7.034   9.918
   49   2HB   PRO   9          HB1       PRO   9 -16.377   5.496  10.099
   50   1HG   PRO   9          HG2       PRO   9 -15.643   8.190  11.145
   51   2HG   PRO   9          HG1       PRO   9 -15.220   6.589  11.774
   52   1HD   PRO   9          HD2       PRO   9 -13.526   8.278  10.257
   53   2HD   PRO   9          HD1       PRO   9 -13.243   6.560  10.616
   54    H    GLU  10           H        GLU  10 -14.684   9.092   8.347
   55    HA   GLU  10           HA       GLU  10 -17.127  10.252   7.125
   56   1HB   GLU  10          HB2       GLU  10 -14.995  11.223   8.848
   57   2HB   GLU  10          HB1       GLU  10 -15.211  12.273   7.447
   58   1HG   GLU  10          HG2       GLU  10 -17.669  11.324   8.851
   59   2HG   GLU  10          HG1       GLU  10 -16.698  12.563   9.649
   60    H    ASN  11           H        ASN  11 -15.178   8.489   5.654
   61    HA   ASN  11           HA       ASN  11 -13.957  10.386   3.743
   62   1HB   ASN  11          HB2       ASN  11 -12.706   8.361   4.538
   63   2HB   ASN  11          HB1       ASN  11 -13.906   7.356   3.724
   64   1HD2  ASN  11          1HD2      ASN  11 -10.975   7.675   3.084
   65   2HD2  ASN  11          2HD2      ASN  11 -10.924   8.184   1.466
   66    HA   PRO  12           HA       PRO  12 -17.583   9.903   1.181
   67   1HB   PRO  12          HB2       PRO  12 -16.743  11.653  -0.765
   68   2HB   PRO  12          HB1       PRO  12 -17.443  12.171   0.779
   69   1HG   PRO  12          HG2       PRO  12 -14.601  12.255  -0.115
   70   2HG   PRO  12          HG1       PRO  12 -15.430  13.262   1.083
   71   1HD   PRO  12          HD2       PRO  12 -13.704  11.082   1.642
   72   2HD   PRO  12          HD1       PRO  12 -14.767  11.906   2.804
   73    H    CYS  13           H        CYS  13 -14.578   8.648   0.721
   74    HA   CYS  13           HA       CYS  13 -15.040   7.860  -2.113
   75   1HB   CYS  13          HB2       CYS  13 -12.730   8.572  -0.645
   76   2HB   CYS  13          HB1       CYS  13 -12.579   6.847  -0.986
   77    H    CYS  14           H        CYS  14 -15.525   6.731   1.033
   78    HA   CYS  14           HA       CYS  14 -15.838   3.980  -0.032
   79   1HB   CYS  14          HB2       CYS  14 -14.739   2.986   1.840
   80   2HB   CYS  14          HB1       CYS  14 -13.673   4.276   1.290
   81    H    ASP  15           H        ASP  15 -17.167   2.608   1.474
   82    HA   ASP  15           HA       ASP  15 -19.406   4.266   2.519
   83   1HB   ASP  15          HB2       ASP  15 -19.655   2.375   0.725
   84   2HB   ASP  15          HB1       ASP  15 -19.522   1.289   2.106
   85    H    ALA  16           H        ALA  16 -19.193   4.616   4.673
   86    HA   ALA  16           HA       ALA  16 -17.692   2.907   6.442
   87   1HB   ALA  16          HB1       ALA  16 -18.953   5.444   6.593
   88   2HB   ALA  16          HB2       ALA  16 -17.928   4.683   7.811
   89   3HB   ALA  16          HB3       ALA  16 -19.675   4.449   7.859
   90    H    ALA  17           H        ALA  17 -21.053   3.071   5.440
   91    HA   ALA  17           HA       ALA  17 -22.313   1.555   7.438
   92   1HB   ALA  17          HB1       ALA  17 -24.016   1.148   5.880
   93   2HB   ALA  17          HB2       ALA  17 -22.882   0.986   4.539
   94   3HB   ALA  17          HB3       ALA  17 -23.244   2.580   5.199
   95    H    THR  18           H        THR  18 -20.142   0.552   4.868
   96    HA   THR  18           HA       THR  18 -20.223  -2.220   5.988
   97    HB   THR  18           HB       THR  18 -21.093  -2.033   3.638
   98    HG1  THR  18           HG1      THR  18 -18.700  -3.430   4.182
   99   1HG2  THR  18          1HG2      THR  18 -19.924  -1.016   1.978
  100   2HG2  THR  18          2HG2      THR  18 -18.382  -1.653   2.548
  101   3HG2  THR  18          3HG2      THR  18 -19.075  -0.217   3.301
  102    H    CYS  19           H        CYS  19 -18.381   0.587   5.563
  103    HA   CYS  19           HA       CYS  19 -16.141   0.994   6.237
  104   1HB   CYS  19          HB2       CYS  19 -16.779  -1.305   7.564
  105   2HB   CYS  19          HB1       CYS  19 -15.395  -1.809   6.600
  106    H    LYS  20           H        LYS  20 -17.144  -0.687   3.568
  107    HA   LYS  20           HA       LYS  20 -14.368  -1.080   2.559
  108   1HB   LYS  20          HB2       LYS  20 -16.956  -1.823   1.183
  109   2HB   LYS  20          HB1       LYS  20 -15.324  -2.343   0.753
  110   1HG   LYS  20          HG2       LYS  20 -15.317  -3.210   3.267
  111   2HG   LYS  20          HG1       LYS  20 -17.064  -3.230   3.021
  112   1HD   LYS  20          HD2       LYS  20 -16.056  -5.407   2.418
  113   2HD   LYS  20          HD1       LYS  20 -16.772  -4.624   1.009
  114   1HE   LYS  20          HE2       LYS  20 -14.677  -4.015   0.126
  115   2HE   LYS  20          HE1       LYS  20 -13.864  -4.212   1.680
  116   1HZ   LYS  20          HZ1       LYS  20 -14.144  -6.092  -0.353
  117   2HZ   LYS  20          HZ2       LYS  20 -15.077  -6.642   0.957
  118   3HZ   LYS  20          HZ3       LYS  20 -13.425  -6.303   1.168
  119    H    LEU  21           H        LEU  21 -14.362  -0.561   0.008
  120    HA   LEU  21           HA       LEU  21 -15.036   2.324  -0.143
  121   1HB   LEU  21          HB2       LEU  21 -12.900   0.676  -1.173
  122   2HB   LEU  21          HB1       LEU  21 -13.690   1.562  -2.474
  123    HG   LEU  21           HG       LEU  21 -13.478   3.637  -1.008
  124   1HD1  LEU  21          1HD1      LEU  21 -12.997   2.357   1.095
  125   2HD1  LEU  21          2HD1      LEU  21 -11.797   3.599   0.744
  126   3HD1  LEU  21          3HD1      LEU  21 -11.437   1.905   0.410
  127   1HD2  LEU  21          1HD2      LEU  21 -12.018   2.913  -2.984
  128   2HD2  LEU  21          2HD2      LEU  21 -10.843   2.408  -1.773
  129   3HD2  LEU  21          3HD2      LEU  21 -11.326   4.101  -1.879
  130    H    ARG  22           H        ARG  22 -15.177   2.854  -2.666
  131    HA   ARG  22           HA       ARG  22 -17.554   1.358  -3.635
  132   1HB   ARG  22          HB2       ARG  22 -16.312   3.948  -4.640
  133   2HB   ARG  22          HB1       ARG  22 -17.837   3.251  -5.186
  134   1HG   ARG  22          HG2       ARG  22 -17.367   3.902  -2.279
  135   2HG   ARG  22          HG1       ARG  22 -17.959   5.121  -3.409
  136   1HD   ARG  22          HD2       ARG  22 -19.685   3.226  -4.058
  137   2HD   ARG  22          HD1       ARG  22 -19.300   2.618  -2.447
  138    HE   ARG  22           HE       ARG  22 -19.982   4.930  -1.618
  139   1HH1  ARG  22          1HH1      ARG  22 -20.392   6.267  -4.221
  140   2HH1  ARG  22          2HH1      ARG  22 -22.095   6.098  -4.478
  141   1HH2  ARG  22          1HH2      ARG  22 -22.470   3.582  -2.121
  142   2HH2  ARG  22          2HH2      ARG  22 -23.274   4.579  -3.288
  143    HA   PRO  23           HA       PRO  23 -15.197  -0.760  -6.661
  144   1HB   PRO  23          HB2       PRO  23 -16.953  -0.643  -8.797
  145   2HB   PRO  23          HB1       PRO  23 -17.132  -1.747  -7.420
  146   1HG   PRO  23          HG2       PRO  23 -18.557   0.853  -7.951
  147   2HG   PRO  23          HG1       PRO  23 -19.176  -0.632  -7.200
  148   1HD   PRO  23          HD2       PRO  23 -18.406   1.575  -5.710
  149   2HD   PRO  23          HD1       PRO  23 -18.322  -0.088  -5.103
  150    H    GLY  24           H        GLY  24 -15.972   2.529  -6.952
  151   1HA   GLY  24          HA2       GLY  24 -14.519   2.897  -9.504
  152   2HA   GLY  24          HA1       GLY  24 -15.323   4.169  -8.581
  153    H    ALA  25           H        ALA  25 -13.803   2.586  -6.228
  154    HA   ALA  25           HA       ALA  25 -11.130   3.826  -6.663
  155   1HB   ALA  25          HB1       ALA  25 -11.451   4.371  -4.047
  156   2HB   ALA  25          HB2       ALA  25 -13.137   4.482  -4.555
  157   3HB   ALA  25          HB3       ALA  25 -11.919   5.514  -5.306
  158    H    GLN  26           H        GLN  26  -9.437   2.722  -5.550
  159    HA   GLN  26           HA       GLN  26 -10.224   0.031  -4.568
  160   1HB   GLN  26          HB2       GLN  26  -8.098   0.985  -6.182
  161   2HB   GLN  26          HB1       GLN  26  -7.373   0.422  -4.674
  162   1HG   GLN  26          HG2       GLN  26  -7.563  -1.675  -5.485
  163   2HG   GLN  26          HG1       GLN  26  -9.304  -1.501  -5.276
  164   1HE2  GLN  26          1HE2      GLN  26 -10.566  -0.766  -7.192
  165   2HE2  GLN  26          2HE2      GLN  26  -9.936  -0.979  -8.755
  166    H    CYS  27           H        CYS  27  -9.049   3.070  -3.457
  167    HA   CYS  27           HA       CYS  27  -9.057   2.061  -0.699
  168   1HB   CYS  27          HB2       CYS  27  -6.773   1.722  -0.855
  169   2HB   CYS  27          HB1       CYS  27  -6.570   2.904  -2.138
  170    H    GLY  28           H        GLY  28  -9.790   3.677   0.681
  171   1HA   GLY  28          HA2       GLY  28 -10.619   6.186  -0.606
  172   2HA   GLY  28          HA1       GLY  28 -11.061   5.665   1.016
  173    H    GLU  29           H        GLU  29  -8.433   5.029   1.872
  174    HA   GLU  29           HA       GLU  29  -6.896   7.530   1.615
  175   1HB   GLU  29          HB2       GLU  29  -6.929   7.973   3.975
  176   2HB   GLU  29          HB1       GLU  29  -8.596   7.834   3.439
  177   1HG   GLU  29          HG2       GLU  29  -8.858   6.310   5.079
  178   2HG   GLU  29          HG1       GLU  29  -7.905   5.223   4.070
  179    H    GLY  30           H        GLY  30  -4.675   7.247   2.343
  180   1HA   GLY  30          HA2       GLY  30  -3.535   5.167   3.749
  181   2HA   GLY  30          HA1       GLY  30  -3.773   4.474   2.146
  182    H    LEU  31           H        LEU  31  -1.203   4.769   3.159
  183    HA   LEU  31           HA       LEU  31   0.097   7.220   2.460
  184   1HB   LEU  31          HB2       LEU  31   0.868   4.595   3.367
  185   2HB   LEU  31          HB1       LEU  31   1.916   5.084   2.040
  186    HG   LEU  31           HG       LEU  31   2.714   5.809   4.324
  187   1HD1  LEU  31          1HD1      LEU  31   2.158   8.343   2.900
  188   2HD1  LEU  31          2HD1      LEU  31   2.877   7.070   1.914
  189   3HD1  LEU  31          3HD1      LEU  31   3.701   7.631   3.371
  190   1HD2  LEU  31          1HD2      LEU  31   1.346   6.955   5.708
  191   2HD2  LEU  31          2HD2      LEU  31   0.035   6.612   4.579
  192   3HD2  LEU  31          3HD2      LEU  31   0.947   8.115   4.441
  193    H    CYS  32           H        CYS  32  -0.688   4.323   0.584
  194    HA   CYS  32           HA       CYS  32   0.397   5.721  -1.828
  195   1HB   CYS  32          HB2       CYS  32   0.147   2.767  -1.209
  196   2HB   CYS  32          HB1       CYS  32   0.563   3.397  -2.803
  197    H    CYS  33           H        CYS  33  -1.965   6.669  -1.423
  198    HA   CYS  33           HA       CYS  33  -3.802   5.036  -3.121
  199   1HB   CYS  33          HB2       CYS  33  -4.515   6.738  -0.715
  200   2HB   CYS  33          HB1       CYS  33  -5.694   6.018  -1.809
  201    H    GLU  34           H        GLU  34  -3.326   6.187  -5.014
  202    HA   GLU  34           HA       GLU  34  -3.606   9.137  -4.969
  203   1HB   GLU  34          HB2       GLU  34  -1.761   7.727  -6.242
  204   2HB   GLU  34          HB1       GLU  34  -3.029   7.558  -7.456
  205   1HG   GLU  34          HG2       GLU  34  -1.859   9.516  -8.100
  206   2HG   GLU  34          HG1       GLU  34  -3.297  10.117  -7.273
  207    H    GLN  35           H        GLN  35  -5.553  10.008  -5.479
  208    HA   GLN  35           HA       GLN  35  -7.720  10.191  -6.350
  209   1HB   GLN  35          HB2       GLN  35  -7.094   8.014  -8.324
  210   2HB   GLN  35          HB1       GLN  35  -8.048   9.480  -8.555
  211   1HG   GLN  35          HG2       GLN  35  -5.600  10.524  -7.908
  212   2HG   GLN  35          HG1       GLN  35  -5.137   9.074  -8.800
  213   1HE2  GLN  35          1HE2      GLN  35  -7.121   8.874 -10.738
  214   2HE2  GLN  35          2HE2      GLN  35  -7.112  10.251 -11.729
  215    H    CYS  36           H        CYS  36  -7.224   8.397  -4.181
  216    HA   CYS  36           HA       CYS  36  -8.344   6.725  -2.983
  217   1HB   CYS  36          HB2       CYS  36 -10.331   7.325  -5.176
  218   2HB   CYS  36          HB1       CYS  36 -10.643   6.088  -3.955
  219    H    LYS  37           H        LYS  37  -6.569   6.162  -5.442
  220    HA   LYS  37           HA       LYS  37  -7.468   3.334  -5.841
  221   1HB   LYS  37          HB2       LYS  37  -6.409   5.373  -7.732
  222   2HB   LYS  37          HB1       LYS  37  -5.806   3.728  -7.937
  223   1HG   LYS  37          HG2       LYS  37  -8.195   2.929  -7.932
  224   2HG   LYS  37          HG1       LYS  37  -8.703   4.619  -7.944
  225   1HD   LYS  37          HD2       LYS  37  -7.053   4.778 -10.002
  226   2HD   LYS  37          HD1       LYS  37  -7.329   3.038 -10.092
  227   1HE   LYS  37          HE2       LYS  37  -9.104   3.722 -11.381
  228   2HE   LYS  37          HE1       LYS  37  -9.876   3.840  -9.800
  229   1HZ   LYS  37          HZ1       LYS  37  -9.758   5.852 -11.538
  230   2HZ   LYS  37          HZ2       LYS  37  -8.352   6.164 -10.636
  231   3HZ   LYS  37          HZ3       LYS  37  -9.862   6.073  -9.860
  232    H    PHE  38           H        PHE  38  -5.685   1.765  -6.051
  233    HA   PHE  38           HA       PHE  38  -3.642   2.193  -4.062
  234   1HB   PHE  38          HB2       PHE  38  -4.058   0.066  -6.170
  235   2HB   PHE  38          HB1       PHE  38  -2.660   0.058  -5.102
  236    HD1  PHE  38           HD1      PHE  38  -3.484   0.710  -2.507
  237    HD2  PHE  38           HD2      PHE  38  -5.721  -1.393  -5.509
  238    HE1  PHE  38           HE1      PHE  38  -4.842  -0.377  -0.738
  239    HE2  PHE  38           HE2      PHE  38  -7.080  -2.472  -3.740
  240    HZ   PHE  38           HZ       PHE  38  -6.641  -1.966  -1.354
  241    H    SER  39           H        SER  39  -1.586   2.976  -4.324
  242    HA   SER  39           HA       SER  39  -0.876   4.289  -6.799
  243   1HB   SER  39          HB2       SER  39   0.005   4.484  -4.191
  244   2HB   SER  39          HB1       SER  39   1.347   3.650  -4.969
  245    HG   SER  39           HG       SER  39   1.854   5.570  -5.651
  246    H    ARG  40           H        ARG  40   1.865   3.545  -7.075
  247    HA   ARG  40           HA       ARG  40   1.479   0.899  -8.368
  248   1HB   ARG  40          HB2       ARG  40   2.927   3.290  -9.031
  249   2HB   ARG  40          HB1       ARG  40   4.065   1.949  -8.908
  250   1HG   ARG  40          HG2       ARG  40   2.107   0.714 -10.282
  251   2HG   ARG  40          HG1       ARG  40   1.832   2.368 -10.832
  252   1HD   ARG  40          HD2       ARG  40   4.023   2.558 -11.716
  253   2HD   ARG  40          HD1       ARG  40   4.592   1.145 -10.827
  254    HE   ARG  40           HE       ARG  40   2.507   0.304 -12.567
  255   1HH1  ARG  40          1HH2      ARG  40   5.079   2.307 -13.358
  256   2HH1  ARG  40          2HH2      ARG  40   5.785   1.238 -14.523
  257   1HH2  ARG  40          1HH1      ARG  40   3.683  -1.412 -13.757
  258   2HH2  ARG  40          2HH1      ARG  40   4.996  -0.868 -14.749
  259    H    ALA  41           H        ALA  41   3.272  -0.692  -8.159
  260    HA   ALA  41           HA       ALA  41   4.014  -1.073  -5.393
  261   1HB   ALA  41          HB1       ALA  41   5.159  -3.069  -6.172
  262   2HB   ALA  41          HB2       ALA  41   5.133  -2.484  -7.835
  263   3HB   ALA  41          HB3       ALA  41   3.628  -2.941  -7.038
  264    H    GLY  42           H        GLY  42   6.288  -1.192  -4.630
  265   1HA   GLY  42          HA2       GLY  42   8.484  -0.343  -4.488
  266   2HA   GLY  42          HA1       GLY  42   8.415  -0.051  -6.226
  267    H    LYS  43           H        LYS  43   5.918   1.226  -4.161
  268    HA   LYS  43           HA       LYS  43   6.765   3.966  -4.903
  269   1HB   LYS  43          HB2       LYS  43   4.473   3.836  -5.215
  270   2HB   LYS  43          HB1       LYS  43   4.249   2.702  -3.888
  271   1HG   LYS  43          HG2       LYS  43   3.300   4.901  -3.309
  272   2HG   LYS  43          HG1       LYS  43   4.669   4.533  -2.268
  273   1HD   LYS  43          HD2       LYS  43   6.040   6.107  -3.272
  274   2HD   LYS  43          HD1       LYS  43   5.189   6.016  -4.814
  275   1HE   LYS  43          HE2       LYS  43   3.177   7.009  -3.440
  276   2HE   LYS  43          HE1       LYS  43   4.445   7.532  -2.331
  277   1HZ   LYS  43          HZ1       LYS  43   3.883   9.173  -4.088
  278   2HZ   LYS  43          HZ2       LYS  43   4.472   8.079  -5.248
  279   3HZ   LYS  43          HZ3       LYS  43   5.518   8.720  -4.072
  280    H    ILE  44           H        ILE  44   8.042   5.095  -3.539
  281    HA   ILE  44           HA       ILE  44   8.780   4.167  -0.947
  282    HB   ILE  44           HB       ILE  44  10.167   5.706  -2.308
  283   1HG1  ILE  44          2HG1      ILE  44  10.871   7.154  -0.455
  284   2HG1  ILE  44          1HG1      ILE  44   9.337   6.873   0.369
  285   1HG2  ILE  44          1HG2      ILE  44   9.478   7.799  -2.930
  286   2HG2  ILE  44          2HG2      ILE  44   8.574   8.056  -1.438
  287   3HG2  ILE  44          3HG2      ILE  44   7.876   7.089  -2.739
  288   1HD1  ILE  44          1HD1      ILE  44  11.437   5.439   1.030
  289   2HD1  ILE  44          2HD1      ILE  44  11.041   4.531  -0.427
  290   3HD1  ILE  44          3HD1      ILE  44   9.865   4.655   0.881
  291    H    CYS  45           H        CYS  45   6.799   3.801   0.190
  292    HA   CYS  45           HA       CYS  45   4.935   5.991   0.711
  293   1HB   CYS  45          HB2       CYS  45   4.071   4.381   2.476
  294   2HB   CYS  45          HB1       CYS  45   4.034   3.766   0.826
  295    H    ARG  46           H        ARG  46   7.797   4.641   2.152
  296    HA   ARG  46           HA       ARG  46   7.812   6.873   4.116
  297   1HB   ARG  46          HB2       ARG  46   7.418   4.059   4.769
  298   2HB   ARG  46          HB1       ARG  46   8.850   4.719   5.560
  299   1HG   ARG  46          HG2       ARG  46   7.622   6.353   6.709
  300   2HG   ARG  46          HG1       ARG  46   6.269   6.264   5.581
  301   1HD   ARG  46          HD2       ARG  46   6.184   3.746   6.464
  302   2HD   ARG  46          HD1       ARG  46   6.946   4.478   7.875
  303    HE   ARG  46           HE       ARG  46   4.872   6.166   7.531
  304   1HH1  ARG  46          1HH1      ARG  46   4.845   3.736   9.436
  305   2HH1  ARG  46          2HH1      ARG  46   3.320   3.029   9.020
  306   1HH2  ARG  46          1HH2      ARG  46   2.986   4.830   6.075
  307   2HH2  ARG  46          2HH2      ARG  46   2.267   3.648   7.116
  308    H    ILE  47           H        ILE  47   9.888   7.636   4.523
  309    HA   ILE  47           HA       ILE  47  12.098   6.202   3.104
  310    HB   ILE  47           HB       ILE  47  11.590   8.386   2.095
  311   1HG1  ILE  47          2HG1      ILE  47  13.847   9.464   2.473
  312   2HG1  ILE  47          1HG1      ILE  47  14.133   8.274   3.743
  313   1HG2  ILE  47          1HG2      ILE  47  12.113  10.420   3.610
  314   2HG2  ILE  47          2HG2      ILE  47  11.888   9.302   4.955
  315   3HG2  ILE  47          3HG2      ILE  47  10.561   9.613   3.835
  316   1HD1  ILE  47          1HD1      ILE  47  14.329   7.962   0.857
  317   2HD1  ILE  47          2HD1      ILE  47  13.241   6.767   1.559
  318   3HD1  ILE  47          3HD1      ILE  47  14.904   6.892   2.136
  319    H    ALA  48           H        ALA  48  14.068   5.952   4.227
  320    HA   ALA  48           HA       ALA  48  13.989   6.746   7.112
  321   1HB   ALA  48          HB1       ALA  48  15.778   4.532   6.575
  322   2HB   ALA  48          HB2       ALA  48  14.149   4.158   6.011
  323   3HB   ALA  48          HB3       ALA  48  14.418   4.611   7.694
  324    H    ARG  49           H        ARG  49  15.688   7.990   7.772
  325    HA   ARG  49           HA       ARG  49  17.885   8.451   5.822
  326   1HB   ARG  49          HB2       ARG  49  17.504  10.004   8.372
  327   2HB   ARG  49          HB1       ARG  49  18.213  10.535   6.846
  328   1HG   ARG  49          HG2       ARG  49  16.180  11.495   6.493
  329   2HG   ARG  49          HG1       ARG  49  15.682   9.861   6.052
  330   1HD   ARG  49          HD2       ARG  49  14.155  10.026   7.709
  331   2HD   ARG  49          HD1       ARG  49  15.509   9.863   8.826
  332    HE   ARG  49           HE       ARG  49  14.200  12.417   8.062
  333   1HH1  ARG  49          1HH1      ARG  49  14.762  11.006  10.829
  334   2HH1  ARG  49          2HH1      ARG  49  15.916  12.121  11.481
  335   1HH2  ARG  49          1HH2      ARG  49  16.476  13.722   8.456
  336   2HH2  ARG  49          2HH2      ARG  49  16.885  13.659  10.138
  337    H    GLY  50           H        GLY  50  20.012   7.953   6.319
  338   1HA   GLY  50          HA2       GLY  50  21.717   7.624   8.137
  339   2HA   GLY  50          HA1       GLY  50  20.485   6.700   8.997
  340    H    ASP  51           H        ASP  51  22.217   4.987   8.936
  341    HA   ASP  51           HA       ASP  51  22.811   3.764   6.345
  342   1HB   ASP  51          HB2       ASP  51  24.416   3.717   8.264
  343   2HB   ASP  51          HB1       ASP  51  23.288   2.680   9.138
  344    H    MET  52           H        MET  52  20.155   3.804   6.322
  345    HA   MET  52           HA       MET  52  19.432   0.954   6.693
  346   1HB   MET  52          HB2       MET  52  18.057   3.295   7.998
  347   2HB   MET  52          HB1       MET  52  17.154   1.833   7.602
  348   1HG   MET  52          HG2       MET  52  17.867   1.125   9.647
  349   2HG   MET  52          HG1       MET  52  19.365   0.763   8.791
  350   1HE   MET  52          HE1       MET  52  19.055   1.382  11.988
  351   2HE   MET  52          HE2       MET  52  20.620   2.172  12.160
  352   3HE   MET  52          HE3       MET  52  20.458   0.780  11.091
  353    HA   PRO  53           HA       PRO  53  17.376   1.624   2.877
  354   1HB   PRO  53          HB2       PRO  53  15.468  -0.351   3.031
  355   2HB   PRO  53          HB1       PRO  53  17.183  -0.668   2.717
  356   1HG   PRO  53          HG2       PRO  53  15.620  -1.114   5.218
  357   2HG   PRO  53          HG1       PRO  53  17.075  -1.944   4.640
  358   1HD   PRO  53          HD2       PRO  53  16.998   0.064   6.632
  359   2HD   PRO  53          HD1       PRO  53  18.453  -0.532   5.806
  360    H    ASP  54           H        ASP  54  14.768   1.435   2.149
  361    HA   ASP  54           HA       ASP  54  13.321   3.236   4.053
  362   1HB   ASP  54          HB2       ASP  54  12.823   3.334   1.094
  363   2HB   ASP  54          HB1       ASP  54  12.617   4.602   2.302
  364    H    ASP  55           H        ASP  55  10.886   3.273   2.644
  365    HA   ASP  55           HA       ASP  55  10.094   0.389   2.650
  366   1HB   ASP  55          HB2       ASP  55   8.283   2.597   3.625
  367   2HB   ASP  55          HB1       ASP  55   8.156   0.862   3.919
  368    H    ARG  56           H        ARG  56   9.032  -0.193   0.797
  369    HA   ARG  56           HA       ARG  56   7.863   2.013  -0.841
  370   1HB   ARG  56          HB2       ARG  56   9.527  -0.360  -1.643
  371   2HB   ARG  56          HB1       ARG  56   8.408   0.371  -2.791
  372   1HG   ARG  56          HG2       ARG  56   9.488   2.584  -2.380
  373   2HG   ARG  56          HG1       ARG  56  10.663   1.780  -1.337
  374   1HD   ARG  56          HD2       ARG  56  11.202   0.271  -3.318
  375   2HD   ARG  56          HD1       ARG  56  10.247   1.376  -4.306
  376    HE   ARG  56           HE       ARG  56  12.189   2.866  -2.812
  377   1HH1  ARG  56          1HH1      ARG  56  13.816   0.539  -3.848
  378   2HH1  ARG  56          2HH1      ARG  56  14.348   1.141  -5.383
  379   1HH2  ARG  56          1HH2      ARG  56  12.018   3.708  -5.481
  380   2HH2  ARG  56          2HH2      ARG  56  13.328   2.934  -6.308
  381    H    CYS  57           H        CYS  57   5.751   1.719  -1.462
  382    HA   CYS  57           HA       CYS  57   4.168  -0.371  -0.322
  383   1HB   CYS  57          HB2       CYS  57   3.664   1.592  -2.554
  384   2HB   CYS  57          HB1       CYS  57   2.464   0.381  -2.110
  385    H    THR  58           H        THR  58   3.000  -2.070  -1.466
  386    HA   THR  58           HA       THR  58   4.717  -3.395  -3.473
  387    HB   THR  58           HB       THR  58   3.466  -5.382  -2.984
  388    HG1  THR  58           HG1      THR  58   1.403  -4.928  -2.846
  389   1HG2  THR  58          1HG2      THR  58   4.415  -5.609  -0.956
  390   2HG2  THR  58          2HG2      THR  58   3.284  -4.463  -0.238
  391   3HG2  THR  58          3HG2      THR  58   4.762  -3.881  -1.003
  392    H    GLY  59           H        GLY  59   2.307  -1.179  -3.639
  393   1HA   GLY  59          HA2       GLY  59   1.274  -0.467  -5.686
  394   2HA   GLY  59          HA1       GLY  59   1.579  -2.066  -6.366
  395    H    GLN  60           H        GLN  60   0.472  -3.530  -4.104
  396    HA   GLN  60           HA       GLN  60  -2.410  -3.048  -4.676
  397   1HB   GLN  60          HB2       GLN  60  -1.131  -5.458  -3.354
  398   2HB   GLN  60          HB1       GLN  60  -2.774  -5.336  -3.983
  399   1HG   GLN  60          HG2       GLN  60  -1.297  -4.627  -6.182
  400   2HG   GLN  60          HG1       GLN  60  -0.243  -5.818  -5.419
  401   1HE2  GLN  60          1HE2      GLN  60  -3.757  -5.431  -6.180
  402   2HE2  GLN  60          2HE2      GLN  60  -3.983  -7.051  -6.634
  403    H    SER  61           H        SER  61  -0.111  -2.413  -2.311
  404    HA   SER  61           HA       SER  61  -2.085  -2.602  -0.087
  405   1HB   SER  61          HB2       SER  61   0.825  -1.816   0.140
  406   2HB   SER  61          HB1       SER  61  -0.239  -2.413   1.410
  407    HG   SER  61           HG       SER  61  -0.137  -4.416   0.565
  408    H    ALA  62           H        ALA  62  -3.217  -0.784   0.393
  409    HA   ALA  62           HA       ALA  62  -2.508   1.784  -0.779
  410   1HB   ALA  62          HB1       ALA  62  -4.742   0.671   0.804
  411   2HB   ALA  62          HB2       ALA  62  -4.772   1.823  -0.531
  412   3HB   ALA  62          HB3       ALA  62  -4.404   2.377   1.102
  413    H    ASP  63           H        ASP  63  -2.643   0.536   2.572
  414    HA   ASP  63           HA       ASP  63  -1.323   2.934   3.602
  415   1HB   ASP  63          HB2       ASP  63  -2.077   0.276   4.845
  416   2HB   ASP  63          HB1       ASP  63  -1.224   1.538   5.736
  417    H    CYS  64           H        CYS  64   0.725   2.488   5.040
  418    HA   CYS  64           HA       CYS  64   2.543   0.666   3.523
  419   1HB   CYS  64          HB2       CYS  64   3.039   2.962   2.923
  420   2HB   CYS  64          HB1       CYS  64   3.121   3.428   4.620
  421    HA   PRO  65           HA       PRO  65   3.124  -0.920   7.607
  422   1HB   PRO  65          HB2       PRO  65   4.548  -3.088   6.737
  423   2HB   PRO  65          HB1       PRO  65   2.786  -3.011   6.696
  424   1HG   PRO  65          HG2       PRO  65   4.741  -2.847   4.466
  425   2HG   PRO  65          HG1       PRO  65   3.030  -3.305   4.425
  426   1HD   PRO  65          HD2       PRO  65   4.131  -0.796   3.670
  427   2HD   PRO  65          HD1       PRO  65   2.409  -1.188   3.848
  428    H    ARG  66           H        ARG  66   5.483  -2.307   8.236
  429    HA   ARG  66           HA       ARG  66   7.653  -0.349   7.617
  430   1HB   ARG  66          HB2       ARG  66   7.449  -1.634  10.326
  431   2HB   ARG  66          HB1       ARG  66   8.261  -0.138   9.864
  432   1HG   ARG  66          HG2       ARG  66   6.122   0.974   9.529
  433   2HG   ARG  66          HG1       ARG  66   5.256  -0.530   9.842
  434   1HD   ARG  66          HD2       ARG  66   5.920  -0.556  12.130
  435   2HD   ARG  66          HD1       ARG  66   7.137   0.693  11.867
  436    HE   ARG  66           HE       ARG  66   4.248   1.341  11.502
  437   1HH1  ARG  66          1HH2      ARG  66   7.287   2.629  11.910
  438   2HH1  ARG  66          2HH2      ARG  66   6.864   3.712  13.193
  439   1HH2  ARG  66          1HH1      ARG  66   3.701   2.362  13.645
  440   2HH2  ARG  66          2HH1      ARG  66   4.833   3.558  14.179
  441    H    TYR  67           H        TYR  67   9.618  -1.682   9.193
  442    HA   TYR  67           HA       TYR  67   9.756  -4.343   7.827
  443   1HB   TYR  67          HB2       TYR  67  11.550  -2.060   7.669
  444   2HB   TYR  67          HB1       TYR  67  12.391  -3.489   8.269
  445    HD1  TYR  67           HD1      TYR  67  10.251  -2.206   5.505
  446    HD2  TYR  67           HD2      TYR  67  12.882  -5.327   6.841
  447    HE1  TYR  67           HE1      TYR  67  10.308  -3.142   3.208
  448    HE2  TYR  67           HE2      TYR  67  12.938  -6.262   4.546
  449    HH   TYR  67           HH       TYR  67  12.280  -6.016   2.446
  450    H    HIS  68           H        HIS  68   9.071  -5.443   9.738
  451    HA   HIS  68           HA       HIS  68  10.865  -5.136  12.105
  452   1HB   HIS  68          HB2       HIS  68   8.025  -6.030  11.745
  453   2HB   HIS  68          HB1       HIS  68   8.947  -6.642  13.120
  454    HD1  HIS  68           HD1      HIS  68   6.782  -3.955  12.309
  455    HD2  HIS  68           HD2      HIS  68  10.350  -4.212  14.449
  456    HE1  HIS  68           HE1      HIS  68   6.901  -1.881  13.758
  Start of MODEL   13
    1   1H    GLY   1          HT1       GLY   1  -8.143  -7.651   3.661
    2   2H    GLY   1          HT2       GLY   1  -7.659  -6.066   4.040
    3   3H    GLY   1          HT3       GLY   1  -9.289  -6.520   4.191
    4   1HA   GLY   1          HA1       GLY   1  -7.321  -8.043   5.723
    5   2HA   GLY   1          HA2       GLY   1  -7.696  -6.407   6.268
    6    H    LYS   2           H        LYS   2 -10.354  -6.139   5.739
    7    HA   LYS   2           HA       LYS   2 -11.744  -8.511   6.848
    8   1HB   LYS   2          HB2       LYS   2 -10.898  -6.657   8.612
    9   2HB   LYS   2          HB1       LYS   2 -12.420  -5.910   8.128
   10   1HG   LYS   2          HG2       LYS   2 -13.658  -7.474   9.200
   11   2HG   LYS   2          HG1       LYS   2 -12.645  -8.797   8.620
   12   1HD   LYS   2          HD2       LYS   2 -10.915  -7.667  10.344
   13   2HD   LYS   2          HD1       LYS   2 -12.427  -7.201  11.124
   14   1HE   LYS   2          HE2       LYS   2 -13.101  -9.693  10.778
   15   2HE   LYS   2          HE1       LYS   2 -11.373  -9.965  10.556
   16   1HZ   LYS   2          HZ1       LYS   2 -10.905  -9.326  12.701
   17   2HZ   LYS   2          HZ2       LYS   2 -12.395 -10.119  12.907
   18   3HZ   LYS   2          HZ3       LYS   2 -12.330  -8.421  12.871
   19    H    GLU   3           H        GLU   3 -14.112  -6.817   7.436
   20    HA   GLU   3           HA       GLU   3 -15.095  -6.626   4.656
   21   1HB   GLU   3          HB2       GLU   3 -16.258  -7.129   7.257
   22   2HB   GLU   3          HB1       GLU   3 -17.114  -5.813   6.452
   23   1HG   GLU   3          HG2       GLU   3 -17.251  -7.264   4.395
   24   2HG   GLU   3          HG1       GLU   3 -16.596  -8.590   5.357
   25    H    CYS   4           H        CYS   4 -13.166  -4.633   5.816
   26    HA   CYS   4           HA       CYS   4 -14.856  -2.215   5.346
   27   1HB   CYS   4          HB2       CYS   4 -12.441  -2.376   7.175
   28   2HB   CYS   4          HB1       CYS   4 -13.483  -0.975   6.928
   29    H    ASP   5           H        ASP   5 -13.711  -0.450   4.281
   30    HA   ASP   5           HA       ASP   5 -11.090  -1.120   3.064
   31   1HB   ASP   5          HB2       ASP   5 -13.681  -1.048   1.648
   32   2HB   ASP   5          HB1       ASP   5 -12.416  -0.072   0.899
   33    H    CYS   6           H        CYS   6 -12.426   0.882   4.967
   34    HA   CYS   6           HA       CYS   6 -10.991   3.241   3.993
   35   1HB   CYS   6          HB2       CYS   6 -13.130   4.653   4.270
   36   2HB   CYS   6          HB1       CYS   6 -13.009   3.680   2.802
   37    H    SER   7           H        SER   7  -9.889   3.575   5.897
   38    HA   SER   7           HA       SER   7 -10.875   2.890   8.488
   39   1HB   SER   7          HB2       SER   7  -8.999   4.289   9.329
   40   2HB   SER   7          HB1       SER   7  -8.484   3.181   8.060
   41    HG   SER   7           HG       SER   7  -8.454   5.885   8.119
   42    H    SER   8           H        SER   8 -11.743   5.462   6.444
   43    HA   SER   8           HA       SER   8 -12.657   7.092   8.770
   44   1HB   SER   8          HB2       SER   8 -12.044   7.758   5.902
   45   2HB   SER   8          HB1       SER   8 -13.083   8.809   6.860
   46    HG   SER   8           HG       SER   8 -11.313   9.566   7.681
   47    HA   PRO   9           HA       PRO   9 -16.634   5.392   7.519
   48   1HB   PRO   9          HB2       PRO   9 -17.909   6.122   9.843
   49   2HB   PRO   9          HB1       PRO   9 -16.928   4.655   9.684
   50   1HG   PRO   9          HG2       PRO   9 -16.269   7.213  11.068
   51   2HG   PRO   9          HG1       PRO   9 -15.670   5.578  11.388
   52   1HD   PRO   9          HD2       PRO   9 -14.271   7.610  10.003
   53   2HD   PRO   9          HD1       PRO   9 -13.842   5.886  10.038
   54    H    GLU  10           H        GLU  10 -15.519   8.486   7.699
   55    HA   GLU  10           HA       GLU  10 -18.192   9.627   6.989
   56   1HB   GLU  10          HB2       GLU  10 -16.717  10.365   9.191
   57   2HB   GLU  10          HB1       GLU  10 -16.160  11.523   7.982
   58   1HG   GLU  10          HG2       GLU  10 -18.302  12.420   7.665
   59   2HG   GLU  10          HG1       GLU  10 -19.102  10.988   8.310
   60    H    ASN  11           H        ASN  11 -15.767   8.456   5.514
   61    HA   ASN  11           HA       ASN  11 -14.851  10.790   3.942
   62   1HB   ASN  11          HB2       ASN  11 -13.749   8.277   4.662
   63   2HB   ASN  11          HB1       ASN  11 -13.973   8.240   2.915
   64   1HD2  ASN  11          1HD2      ASN  11 -11.395   8.243   3.373
   65   2HD2  ASN  11          2HD2      ASN  11 -10.677   9.777   3.288
   66    HA   PRO  12           HA       PRO  12 -17.595  10.022   0.590
   67   1HB   PRO  12          HB2       PRO  12 -16.003  10.748  -1.532
   68   2HB   PRO  12          HB1       PRO  12 -16.731  11.913  -0.413
   69   1HG   PRO  12          HG2       PRO  12 -13.896  11.007  -0.597
   70   2HG   PRO  12          HG1       PRO  12 -14.547  12.538   0.013
   71   1HD   PRO  12          HD2       PRO  12 -13.654  10.370   1.595
   72   2HD   PRO  12          HD1       PRO  12 -14.606  11.755   2.168
   73    H    CYS  13           H        CYS  13 -14.295   8.766   0.058
   74    HA   CYS  13           HA       CYS  13 -15.154   6.745  -1.847
   75   1HB   CYS  13          HB2       CYS  13 -12.668   7.745  -0.744
   76   2HB   CYS  13          HB1       CYS  13 -12.687   5.982  -0.720
   77    H    CYS  14           H        CYS  14 -15.713   7.031   1.390
   78    HA   CYS  14           HA       CYS  14 -15.361   4.136   1.963
   79   1HB   CYS  14          HB2       CYS  14 -14.483   5.766   3.616
   80   2HB   CYS  14          HB1       CYS  14 -16.110   6.422   3.811
   81    H    ASP  15           H        ASP  15 -17.162   2.999   2.999
   82    HA   ASP  15           HA       ASP  15 -19.836   4.143   2.310
   83   1HB   ASP  15          HB2       ASP  15 -18.872   2.244   0.776
   84   2HB   ASP  15          HB1       ASP  15 -19.284   1.190   2.129
   85    H    ALA  16           H        ALA  16 -20.470   4.643   4.398
   86    HA   ALA  16           HA       ALA  16 -19.833   3.304   6.772
   87   1HB   ALA  16          HB1       ALA  16 -21.626   5.348   5.995
   88   2HB   ALA  16          HB2       ALA  16 -21.171   4.891   7.636
   89   3HB   ALA  16          HB3       ALA  16 -22.586   4.160   6.877
   90    H    ALA  17           H        ALA  17 -21.933   2.277   4.219
   91    HA   ALA  17           HA       ALA  17 -23.729   0.559   5.515
   92   1HB   ALA  17          HB1       ALA  17 -24.052  -0.432   3.450
   93   2HB   ALA  17          HB2       ALA  17 -22.328  -0.473   3.083
   94   3HB   ALA  17          HB3       ALA  17 -23.225   1.039   2.936
   95    H    THR  18           H        THR  18 -20.572  -0.469   4.171
   96    HA   THR  18           HA       THR  18 -20.337  -2.357   6.476
   97    HB   THR  18           HB       THR  18 -20.979  -3.717   4.593
   98    HG1  THR  18           HG1      THR  18 -18.875  -4.106   5.873
   99   1HG2  THR  18          1HG2      THR  18 -19.350  -3.580   2.534
  100   2HG2  THR  18          2HG2      THR  18 -19.038  -1.953   3.139
  101   3HG2  THR  18          3HG2      THR  18 -20.674  -2.423   2.681
  102    H    CYS  19           H        CYS  19 -19.158   0.182   6.410
  103    HA   CYS  19           HA       CYS  19 -17.101   1.320   6.372
  104   1HB   CYS  19          HB2       CYS  19 -15.295   0.026   7.578
  105   2HB   CYS  19          HB1       CYS  19 -16.829   0.126   8.434
  106    H    LYS  20           H        LYS  20 -17.748  -0.213   3.884
  107    HA   LYS  20           HA       LYS  20 -14.976  -0.872   2.998
  108   1HB   LYS  20          HB2       LYS  20 -17.696  -1.596   1.901
  109   2HB   LYS  20          HB1       LYS  20 -16.218  -1.814   0.963
  110   1HG   LYS  20          HG2       LYS  20 -15.601  -2.896   3.463
  111   2HG   LYS  20          HG1       LYS  20 -17.255  -3.426   3.162
  112   1HD   LYS  20          HD2       LYS  20 -15.322  -3.620   0.898
  113   2HD   LYS  20          HD1       LYS  20 -15.151  -4.781   2.215
  114   1HE   LYS  20          HE2       LYS  20 -17.642  -5.238   1.976
  115   2HE   LYS  20          HE1       LYS  20 -17.586  -4.299   0.484
  116   1HZ   LYS  20          HZ1       LYS  20 -16.795  -6.975   0.926
  117   2HZ   LYS  20          HZ2       LYS  20 -15.463  -6.071   0.383
  118   3HZ   LYS  20          HZ3       LYS  20 -16.890  -6.121  -0.536
  119    H    LEU  21           H        LEU  21 -15.086  -0.402   0.330
  120    HA   LEU  21           HA       LEU  21 -14.927   2.495   0.214
  121   1HB   LEU  21          HB2       LEU  21 -14.519   0.254  -1.741
  122   2HB   LEU  21          HB1       LEU  21 -14.630   1.914  -2.325
  123    HG   LEU  21           HG       LEU  21 -12.868   1.512   0.017
  124   1HD1  LEU  21          1HD1      LEU  21 -12.625  -0.441  -1.812
  125   2HD1  LEU  21          2HD1      LEU  21 -11.223   0.263  -1.003
  126   3HD1  LEU  21          3HD1      LEU  21 -11.675   0.805  -2.619
  127   1HD2  LEU  21          1HD2      LEU  21 -12.134   3.501  -0.740
  128   2HD2  LEU  21          2HD2      LEU  21 -13.351   3.419  -2.013
  129   3HD2  LEU  21          3HD2      LEU  21 -11.728   2.794  -2.305
  130    H    ARG  22           H        ARG  22 -16.256   3.900  -0.994
  131    HA   ARG  22           HA       ARG  22 -19.025   2.956  -1.292
  132   1HB   ARG  22          HB2       ARG  22 -17.744   5.485  -0.796
  133   2HB   ARG  22          HB1       ARG  22 -18.794   5.627  -2.207
  134   1HG   ARG  22          HG2       ARG  22 -19.609   4.508   0.491
  135   2HG   ARG  22          HG1       ARG  22 -20.052   6.095  -0.138
  136   1HD   ARG  22          HD2       ARG  22 -20.950   4.699  -2.188
  137   2HD   ARG  22          HD1       ARG  22 -20.984   3.382  -1.017
  138    HE   ARG  22           HE       ARG  22 -22.318   5.249   0.375
  139   1HH1  ARG  22          1HH1      ARG  22 -22.862   6.972  -1.925
  140   2HH1  ARG  22          2HH1      ARG  22 -24.329   6.321  -2.577
  141   1HH2  ARG  22          1HH2      ARG  22 -24.035   3.293  -0.913
  142   2HH2  ARG  22          2HH2      ARG  22 -24.990   4.235  -2.008
  143    HA   PRO  23           HA       PRO  23 -18.096   4.167  -5.800
  144   1HB   PRO  23          HB2       PRO  23 -15.574   5.059  -6.417
  145   2HB   PRO  23          HB1       PRO  23 -16.886   6.128  -5.891
  146   1HG   PRO  23          HG2       PRO  23 -14.486   5.233  -4.381
  147   2HG   PRO  23          HG1       PRO  23 -15.492   6.670  -4.138
  148   1HD   PRO  23          HD2       PRO  23 -15.573   4.256  -2.624
  149   2HD   PRO  23          HD1       PRO  23 -16.704   5.620  -2.513
  150    H    GLY  24           H        GLY  24 -16.117   3.507  -7.587
  151   1HA   GLY  24          HA2       GLY  24 -15.689   0.644  -7.004
  152   2HA   GLY  24          HA1       GLY  24 -15.426   1.433  -8.559
  153    H    ALA  25           H        ALA  25 -14.139   3.096  -5.868
  154    HA   ALA  25           HA       ALA  25 -11.430   2.902  -6.814
  155   1HB   ALA  25          HB1       ALA  25 -12.107   4.849  -5.571
  156   2HB   ALA  25          HB2       ALA  25 -10.910   3.995  -4.597
  157   3HB   ALA  25          HB3       ALA  25 -12.623   3.865  -4.202
  158    H    GLN  26           H        GLN  26  -9.640   1.924  -5.711
  159    HA   GLN  26           HA       GLN  26 -10.295  -0.729  -4.676
  160   1HB   GLN  26          HB2       GLN  26  -8.165  -1.272  -5.306
  161   2HB   GLN  26          HB1       GLN  26  -8.316   0.202  -6.256
  162   1HG   GLN  26          HG2       GLN  26  -7.003  -0.062  -3.538
  163   2HG   GLN  26          HG1       GLN  26  -6.215   0.235  -5.080
  164   1HE2  GLN  26          1HE2      GLN  26  -5.605   2.125  -3.282
  165   2HE2  GLN  26          2HE2      GLN  26  -6.485   3.554  -3.533
  166    H    CYS  27           H        CYS  27  -9.376   2.367  -3.398
  167    HA   CYS  27           HA       CYS  27  -9.736   1.343  -0.675
  168   1HB   CYS  27          HB2       CYS  27  -7.544   1.168  -0.162
  169   2HB   CYS  27          HB1       CYS  27  -7.094   1.691  -1.775
  170    H    GLY  28           H        GLY  28  -9.555   3.317   0.892
  171   1HA   GLY  28          HA2       GLY  28 -10.773   5.656  -0.505
  172   2HA   GLY  28          HA1       GLY  28 -11.101   5.228   1.173
  173    H    GLU  29           H        GLU  29  -8.407   4.679   1.914
  174    HA   GLU  29           HA       GLU  29  -6.937   7.176   1.353
  175   1HB   GLU  29          HB2       GLU  29  -6.808   7.832   3.650
  176   2HB   GLU  29          HB1       GLU  29  -8.510   7.556   3.301
  177   1HG   GLU  29          HG2       GLU  29  -8.466   6.231   5.139
  178   2HG   GLU  29          HG1       GLU  29  -7.705   5.055   4.068
  179    H    GLY  30           H        GLY  30  -4.680   7.030   2.081
  180   1HA   GLY  30          HA2       GLY  30  -3.297   5.160   3.461
  181   2HA   GLY  30          HA1       GLY  30  -3.722   4.237   2.016
  182    H    LEU  31           H        LEU  31  -1.066   5.376   3.075
  183    HA   LEU  31           HA       LEU  31  -0.169   7.493   1.417
  184   1HB   LEU  31          HB2       LEU  31   1.179   5.199   2.809
  185   2HB   LEU  31          HB1       LEU  31   2.110   6.189   1.685
  186    HG   LEU  31           HG       LEU  31   0.624   7.991   3.279
  187   1HD1  LEU  31          1HD1      LEU  31   0.229   6.475   5.034
  188   2HD1  LEU  31          2HD1      LEU  31   1.724   7.267   5.530
  189   3HD1  LEU  31          3HD1      LEU  31   1.777   5.661   4.803
  190   1HD2  LEU  31          1HD2      LEU  31   2.654   8.986   3.284
  191   2HD2  LEU  31          2HD2      LEU  31   3.226   7.610   2.341
  192   3HD2  LEU  31          3HD2      LEU  31   3.400   7.610   4.097
  193    H    CYS  32           H        CYS  32  -0.947   4.226   0.683
  194    HA   CYS  32           HA       CYS  32   0.454   4.393  -1.940
  195   1HB   CYS  32          HB2       CYS  32   0.280   2.321  -0.140
  196   2HB   CYS  32          HB1       CYS  32  -1.005   1.923  -1.281
  197    H    CYS  33           H        CYS  33  -2.217   5.673  -0.996
  198    HA   CYS  33           HA       CYS  33  -3.907   4.504  -3.166
  199   1HB   CYS  33          HB2       CYS  33  -4.665   5.925  -0.606
  200   2HB   CYS  33          HB1       CYS  33  -5.816   5.607  -1.905
  201    H    GLU  34           H        GLU  34  -3.542   5.767  -4.942
  202    HA   GLU  34           HA       GLU  34  -3.321   8.708  -4.577
  203   1HB   GLU  34          HB2       GLU  34  -1.931   6.950  -6.201
  204   2HB   GLU  34          HB1       GLU  34  -3.101   7.665  -7.312
  205   1HG   GLU  34          HG2       GLU  34  -2.214   9.779  -7.109
  206   2HG   GLU  34          HG1       GLU  34  -1.698   9.515  -5.443
  207    H    GLN  35           H        GLN  35  -5.315   9.652  -4.538
  208    HA   GLN  35           HA       GLN  35  -7.469  10.257  -5.242
  209   1HB   GLN  35          HB2       GLN  35  -6.698   8.940  -7.860
  210   2HB   GLN  35          HB1       GLN  35  -7.901  10.206  -7.612
  211   1HG   GLN  35          HG2       GLN  35  -6.147  11.771  -6.911
  212   2HG   GLN  35          HG1       GLN  35  -4.929  10.508  -7.090
  213   1HE2  GLN  35          1HE2      GLN  35  -4.363  12.630  -8.636
  214   2HE2  GLN  35          2HE2      GLN  35  -4.797  12.385 -10.258
  215    H    CYS  36           H        CYS  36  -7.394   7.963  -3.746
  216    HA   CYS  36           HA       CYS  36  -8.692   6.084  -3.230
  217   1HB   CYS  36          HB2       CYS  36 -10.314   7.341  -5.441
  218   2HB   CYS  36          HB1       CYS  36 -10.794   5.830  -4.698
  219    H    LYS  37           H        LYS  37  -6.438   5.860  -5.060
  220    HA   LYS  37           HA       LYS  37  -7.186   3.305  -6.374
  221   1HB   LYS  37          HB2       LYS  37  -6.125   5.762  -7.679
  222   2HB   LYS  37          HB1       LYS  37  -5.405   4.232  -8.177
  223   1HG   LYS  37          HG2       LYS  37  -7.576   3.339  -8.781
  224   2HG   LYS  37          HG1       LYS  37  -8.388   4.759  -8.121
  225   1HD   LYS  37          HD2       LYS  37  -6.602   5.906  -9.859
  226   2HD   LYS  37          HD1       LYS  37  -7.015   4.415 -10.706
  227   1HE   LYS  37          HE2       LYS  37  -9.298   5.874  -9.504
  228   2HE   LYS  37          HE1       LYS  37  -8.505   6.681 -10.856
  229   1HZ   LYS  37          HZ1       LYS  37  -8.753   3.991 -11.520
  230   2HZ   LYS  37          HZ2       LYS  37  -9.556   5.316 -12.218
  231   3HZ   LYS  37          HZ3       LYS  37 -10.258   4.486 -10.914
  232    H    PHE  38           H        PHE  38  -5.436   1.794  -6.397
  233    HA   PHE  38           HA       PHE  38  -3.484   2.171  -4.318
  234   1HB   PHE  38          HB2       PHE  38  -3.876   0.115  -6.477
  235   2HB   PHE  38          HB1       PHE  38  -2.371   0.135  -5.569
  236    HD1  PHE  38           HD2      PHE  38  -3.513   1.070  -2.883
  237    HD2  PHE  38           HD1      PHE  38  -4.817  -1.917  -5.685
  238    HE1  PHE  38           HE2      PHE  38  -4.630  -0.168  -1.052
  239    HE2  PHE  38           HE1      PHE  38  -5.927  -3.153  -3.846
  240    HZ   PHE  38           HZ       PHE  38  -5.835  -2.278  -1.531
  241    H    SER  39           H        SER  39  -1.405   2.904  -4.444
  242    HA   SER  39           HA       SER  39  -0.620   4.459  -6.744
  243   1HB   SER  39          HB2       SER  39   1.244   3.493  -4.568
  244   2HB   SER  39          HB1       SER  39   1.357   4.973  -5.517
  245    HG   SER  39           HG       SER  39  -0.834   5.376  -4.495
  246    H    ARG  40           H        ARG  40   2.270   3.396  -6.472
  247    HA   ARG  40           HA       ARG  40   1.844   1.073  -8.306
  248   1HB   ARG  40          HB2       ARG  40   3.527   3.446  -8.473
  249   2HB   ARG  40          HB1       ARG  40   4.483   1.971  -8.619
  250   1HG   ARG  40          HG2       ARG  40   2.810   1.163 -10.334
  251   2HG   ARG  40          HG1       ARG  40   2.087   2.771 -10.290
  252   1HD   ARG  40          HD2       ARG  40   4.537   3.598 -10.712
  253   2HD   ARG  40          HD1       ARG  40   4.805   1.950 -11.278
  254    HE   ARG  40           HE       ARG  40   3.583   2.498 -13.211
  255   1HH1  ARG  40          1HH2      ARG  40   4.151   5.420 -12.263
  256   2HH1  ARG  40          2HH2      ARG  40   2.579   6.113 -12.489
  257   1HH2  ARG  40          1HH1      ARG  40   0.982   3.052 -12.795
  258   2HH2  ARG  40          2HH1      ARG  40   0.785   4.773 -12.790
  259    H    ALA  41           H        ALA  41   4.216  -0.161  -8.306
  260    HA   ALA  41           HA       ALA  41   4.497  -1.062  -5.490
  261   1HB   ALA  41          HB1       ALA  41   5.815  -2.392  -7.846
  262   2HB   ALA  41          HB2       ALA  41   4.090  -2.620  -7.559
  263   3HB   ALA  41          HB3       ALA  41   5.259  -3.111  -6.334
  264    H    GLY  42           H        GLY  42   6.423  -0.837  -4.381
  265   1HA   GLY  42          HA2       GLY  42   8.677  -0.258  -3.991
  266   2HA   GLY  42          HA1       GLY  42   8.926  -0.233  -5.736
  267    H    LYS  43           H        LYS  43   6.509   1.623  -3.907
  268    HA   LYS  43           HA       LYS  43   7.783   4.089  -5.012
  269   1HB   LYS  43          HB2       LYS  43   5.679   4.661  -5.578
  270   2HB   LYS  43          HB1       LYS  43   5.063   3.196  -4.825
  271   1HG   LYS  43          HG2       LYS  43   3.918   4.894  -3.676
  272   2HG   LYS  43          HG1       LYS  43   5.260   4.554  -2.591
  273   1HD   LYS  43          HD2       LYS  43   6.296   6.555  -3.030
  274   2HD   LYS  43          HD1       LYS  43   5.744   6.590  -4.705
  275   1HE   LYS  43          HE2       LYS  43   3.514   6.746  -2.839
  276   2HE   LYS  43          HE1       LYS  43   4.667   8.057  -2.584
  277   1HZ   LYS  43          HZ1       LYS  43   3.009   8.647  -4.237
  278   2HZ   LYS  43          HZ2       LYS  43   3.443   7.305  -5.185
  279   3HZ   LYS  43          HZ3       LYS  43   4.550   8.571  -4.940
  280    H    ILE  44           H        ILE  44   8.612   5.634  -3.623
  281    HA   ILE  44           HA       ILE  44   9.128   4.898  -0.910
  282    HB   ILE  44           HB       ILE  44   9.682   7.210  -2.658
  283   1HG1  ILE  44          2HG1      ILE  44  11.318   5.462  -2.091
  284   2HG1  ILE  44          1HG1      ILE  44  11.859   7.032  -1.495
  285   1HG2  ILE  44          1HG2      ILE  44  10.373   8.573  -0.560
  286   2HG2  ILE  44          2HG2      ILE  44   9.203   7.574   0.303
  287   3HG2  ILE  44          3HG2      ILE  44   8.673   8.602  -1.028
  288   1HD1  ILE  44          1HD1      ILE  44  11.600   4.711   0.026
  289   2HD1  ILE  44          2HD1      ILE  44  10.169   5.652   0.444
  290   3HD1  ILE  44          3HD1      ILE  44  11.775   6.348   0.657
  291    H    CYS  45           H        CYS  45   7.285   4.520   0.297
  292    HA   CYS  45           HA       CYS  45   5.242   6.690   0.421
  293   1HB   CYS  45          HB2       CYS  45   3.986   4.954   1.807
  294   2HB   CYS  45          HB1       CYS  45   4.152   4.594   0.095
  295    H    ARG  46           H        ARG  46   7.632   4.949   2.291
  296    HA   ARG  46           HA       ARG  46   7.088   6.840   4.551
  297   1HB   ARG  46          HB2       ARG  46   6.559   4.239   4.791
  298   2HB   ARG  46          HB1       ARG  46   8.292   4.163   5.108
  299   1HG   ARG  46          HG2       ARG  46   7.810   4.754   7.233
  300   2HG   ARG  46          HG1       ARG  46   7.436   6.357   6.600
  301   1HD   ARG  46          HD2       ARG  46   5.089   5.512   6.137
  302   2HD   ARG  46          HD1       ARG  46   5.510   4.065   7.053
  303    HE   ARG  46           HE       ARG  46   6.133   5.944   8.870
  304   1HH1  ARG  46          1HH2      ARG  46   4.355   7.674   6.934
  305   2HH1  ARG  46          2HH2      ARG  46   2.878   7.680   7.838
  306   1HH2  ARG  46          1HH1      ARG  46   3.842   5.100   9.943
  307   2HH2  ARG  46          2HH1      ARG  46   2.587   6.224   9.539
  308    H    ILE  47           H        ILE  47   8.837   8.002   5.187
  309    HA   ILE  47           HA       ILE  47  11.437   7.408   3.893
  310    HB   ILE  47           HB       ILE  47  10.579   9.714   3.766
  311   1HG1  ILE  47          2HG1      ILE  47  12.581  10.823   4.997
  312   2HG1  ILE  47          1HG1      ILE  47  13.040   9.175   5.428
  313   1HG2  ILE  47          1HG2      ILE  47   9.672  10.779   5.543
  314   2HG2  ILE  47          2HG2      ILE  47  11.031  10.356   6.584
  315   3HG2  ILE  47          3HG2      ILE  47   9.705   9.215   6.358
  316   1HD1  ILE  47          1HD1      ILE  47  12.721  10.325   2.646
  317   2HD1  ILE  47          2HD1      ILE  47  12.891   8.598   2.963
  318   3HD1  ILE  47          3HD1      ILE  47  14.196   9.706   3.388
  319    H    ALA  48           H        ALA  48  13.298   6.931   5.095
  320    HA   ALA  48           HA       ALA  48  12.960   5.609   7.604
  321   1HB   ALA  48          HB1       ALA  48  14.874   4.893   6.509
  322   2HB   ALA  48          HB2       ALA  48  15.582   6.036   7.651
  323   3HB   ALA  48          HB3       ALA  48  15.304   6.519   5.978
  324    H    ARG  49           H        ARG  49  13.183   6.350   9.704
  325    HA   ARG  49           HA       ARG  49  13.591   9.295  10.007
  326   1HB   ARG  49          HB2       ARG  49  12.254   7.390  11.950
  327   2HB   ARG  49          HB1       ARG  49  12.262   9.153  12.025
  328   1HG   ARG  49          HG2       ARG  49  11.062   7.552   9.746
  329   2HG   ARG  49          HG1       ARG  49  10.133   8.222  11.089
  330   1HD   ARG  49          HD2       ARG  49  11.923  10.164   9.789
  331   2HD   ARG  49          HD1       ARG  49  10.650   9.547   8.736
  332    HE   ARG  49           HE       ARG  49   9.401  10.216  11.168
  333   1HH1  ARG  49          1HH1      ARG  49   8.710  11.404   8.482
  334   2HH1  ARG  49          2HH1      ARG  49   9.050  13.083   8.741
  335   1HH2  ARG  49          1HH2      ARG  49  10.932  12.531  11.604
  336   2HH2  ARG  49          2HH2      ARG  49  10.310  13.721  10.510
  337    H    GLY  50           H        GLY  50  15.658   7.076   9.904
  338   1HA   GLY  50          HA2       GLY  50  17.444   8.079  11.860
  339   2HA   GLY  50          HA1       GLY  50  16.700   6.625  12.527
  340    H    ASP  51           H        ASP  51  18.345   5.133  12.363
  341    HA   ASP  51           HA       ASP  51  20.034   5.007   9.968
  342   1HB   ASP  51          HB2       ASP  51  20.031   3.855  12.664
  343   2HB   ASP  51          HB1       ASP  51  20.513   2.698  11.422
  344    H    MET  52           H        MET  52  16.945   4.201  10.332
  345    HA   MET  52           HA       MET  52  17.059   1.474   9.210
  346   1HB   MET  52          HB2       MET  52  14.543   1.714   9.219
  347   2HB   MET  52          HB1       MET  52  15.292   1.894  10.805
  348   1HG   MET  52          HG2       MET  52  15.224   4.446   9.459
  349   2HG   MET  52          HG1       MET  52  13.608   3.743   9.492
  350   1HE   MET  52          HE1       MET  52  12.104   3.695  12.027
  351   2HE   MET  52          HE2       MET  52  13.116   2.689  13.060
  352   3HE   MET  52          HE3       MET  52  12.961   2.305  11.348
  353    HA   PRO  53           HA       PRO  53  16.647   2.729   5.023
  354   1HB   PRO  53          HB2       PRO  53  15.157   0.638   4.039
  355   2HB   PRO  53          HB1       PRO  53  16.875   0.507   4.453
  356   1HG   PRO  53          HG2       PRO  53  14.504  -0.531   5.934
  357   2HG   PRO  53          HG1       PRO  53  16.171  -1.130   5.924
  358   1HD   PRO  53          HD2       PRO  53  14.987   0.431   7.963
  359   2HD   PRO  53          HD1       PRO  53  16.723   0.112   7.770
  360    H    ASP  54           H        ASP  54  14.736   2.739   3.216
  361    HA   ASP  54           HA       ASP  54  12.430   4.095   4.540
  362   1HB   ASP  54          HB2       ASP  54  13.261   4.256   1.630
  363   2HB   ASP  54          HB1       ASP  54  12.115   5.298   2.473
  364    H    ASP  55           H        ASP  55  10.411   3.209   4.345
  365    HA   ASP  55           HA       ASP  55  10.130   0.581   3.137
  366   1HB   ASP  55          HB2       ASP  55   8.864   1.470   5.181
  367   2HB   ASP  55          HB1       ASP  55   7.872   2.382   4.042
  368    H    ARG  56           H        ARG  56   9.014   0.052   1.221
  369    HA   ARG  56           HA       ARG  56   8.394   2.392  -0.533
  370   1HB   ARG  56          HB2       ARG  56   9.561  -0.321  -1.157
  371   2HB   ARG  56          HB1       ARG  56   8.838   0.689  -2.409
  372   1HG   ARG  56          HG2       ARG  56  10.485   2.451  -1.022
  373   2HG   ARG  56          HG1       ARG  56  11.426   0.959  -1.081
  374   1HD   ARG  56          HD2       ARG  56  10.877   0.854  -3.565
  375   2HD   ARG  56          HD1       ARG  56  10.255   2.497  -3.410
  376    HE   ARG  56           HE       ARG  56  12.741   2.784  -2.359
  377   1HH1  ARG  56          1HH2      ARG  56  11.393   1.801  -5.341
  378   2HH1  ARG  56          2HH2      ARG  56  12.909   1.751  -6.178
  379   1HH2  ARG  56          1HH1      ARG  56  14.794   2.456  -3.354
  380   2HH2  ARG  56          2HH1      ARG  56  14.834   2.121  -5.053
  381    H    CYS  57           H        CYS  57   6.543   2.253  -1.857
  382    HA   CYS  57           HA       CYS  57   4.251   0.984  -0.740
  383   1HB   CYS  57          HB2       CYS  57   4.868   2.666  -3.016
  384   2HB   CYS  57          HB1       CYS  57   3.709   1.419  -3.463
  385    H    THR  58           H        THR  58   3.118  -0.877  -1.377
  386    HA   THR  58           HA       THR  58   4.744  -2.927  -2.731
  387    HB   THR  58           HB       THR  58   2.600  -4.320  -2.150
  388    HG1  THR  58           HG1      THR  58   1.202  -3.360  -0.890
  389   1HG2  THR  58          1HG2      THR  58   4.814  -3.320  -0.457
  390   2HG2  THR  58          2HG2      THR  58   4.341  -4.977  -0.828
  391   3HG2  THR  58          3HG2      THR  58   3.474  -4.068   0.409
  392    H    GLY  59           H        GLY  59   2.234  -0.719  -3.497
  393   1HA   GLY  59          HA2       GLY  59   1.341  -0.305  -5.659
  394   2HA   GLY  59          HA1       GLY  59   2.112  -1.786  -6.230
  395    H    GLN  60           H        GLN  60   0.725  -2.877  -3.558
  396    HA   GLN  60           HA       GLN  60  -1.940  -3.323  -4.844
  397   1HB   GLN  60          HB2       GLN  60  -0.134  -5.285  -3.411
  398   2HB   GLN  60          HB1       GLN  60  -1.840  -5.608  -3.724
  399   1HG   GLN  60          HG2       GLN  60  -1.068  -4.827  -6.196
  400   2HG   GLN  60          HG1       GLN  60   0.449  -5.518  -5.614
  401   1HE2  GLN  60          1HE2      GLN  60  -0.520  -7.007  -7.602
  402   2HE2  GLN  60          2HE2      GLN  60  -1.342  -8.388  -7.054
  403    H    SER  61           H        SER  61  -0.268  -2.149  -2.162
  404    HA   SER  61           HA       SER  61  -2.540  -2.717  -0.313
  405   1HB   SER  61          HB2       SER  61   0.300  -1.794   0.106
  406   2HB   SER  61          HB1       SER  61  -0.913  -1.604   1.368
  407    HG   SER  61           HG       SER  61  -0.536  -4.068   0.045
  408    H    ALA  62           H        ALA  62  -3.129  -0.782   1.140
  409    HA   ALA  62           HA       ALA  62  -3.462   1.601  -0.615
  410   1HB   ALA  62          HB1       ALA  62  -5.587   1.132   0.149
  411   2HB   ALA  62          HB2       ALA  62  -5.046   2.173   1.466
  412   3HB   ALA  62          HB3       ALA  62  -5.000   0.419   1.653
  413    H    ASP  63           H        ASP  63  -2.675   0.807   2.781
  414    HA   ASP  63           HA       ASP  63  -1.450   3.488   3.077
  415   1HB   ASP  63          HB2       ASP  63  -1.611   1.302   5.164
  416   2HB   ASP  63          HB1       ASP  63  -1.379   3.032   5.424
  417    H    CYS  64           H        CYS  64   0.754   3.391   4.345
  418    HA   CYS  64           HA       CYS  64   2.458   1.447   2.870
  419   1HB   CYS  64          HB2       CYS  64   2.997   3.792   2.528
  420   2HB   CYS  64          HB1       CYS  64   3.177   4.045   4.258
  421    HA   PRO  65           HA       PRO  65   2.851  -0.580   6.774
  422   1HB   PRO  65          HB2       PRO  65   4.084  -2.769   5.695
  423   2HB   PRO  65          HB1       PRO  65   2.338  -2.527   5.660
  424   1HG   PRO  65          HG2       PRO  65   4.319  -2.336   3.460
  425   2HG   PRO  65          HG1       PRO  65   2.570  -2.604   3.371
  426   1HD   PRO  65          HD2       PRO  65   3.950  -0.156   2.889
  427   2HD   PRO  65          HD1       PRO  65   2.192  -0.385   2.984
  428    H    ARG  66           H        ARG  66   4.778  -1.661   7.918
  429    HA   ARG  66           HA       ARG  66   7.210  -0.030   7.412
  430   1HB   ARG  66          HB2       ARG  66   6.533  -1.812   9.774
  431   2HB   ARG  66          HB1       ARG  66   7.868  -0.664   9.676
  432   1HG   ARG  66          HG2       ARG  66   6.453   1.197   9.785
  433   2HG   ARG  66          HG1       ARG  66   5.049   0.281   9.237
  434   1HD   ARG  66          HD2       ARG  66   4.912  -0.895  11.350
  435   2HD   ARG  66          HD1       ARG  66   6.428  -0.179  11.895
  436    HE   ARG  66           HE       ARG  66   5.007   2.058  11.524
  437   1HH1  ARG  66          1HH2      ARG  66   5.104   0.410  14.175
  438   2HH1  ARG  66          2HH2      ARG  66   3.427   0.445  14.606
  439   1HH2  ARG  66          1HH1      ARG  66   2.370   1.501  11.477
  440   2HH2  ARG  66          2HH1      ARG  66   1.879   1.062  13.079
  441    H    TYR  67           H        TYR  67   9.134  -1.705   8.560
  442    HA   TYR  67           HA       TYR  67   9.139  -4.011   6.650
  443   1HB   TYR  67          HB2       TYR  67  10.897  -1.914   6.668
  444   2HB   TYR  67          HB1       TYR  67  11.735  -3.071   7.702
  445    HD1  TYR  67           HD1      TYR  67  11.361  -5.646   6.727
  446    HD2  TYR  67           HD2      TYR  67  11.535  -2.015   4.437
  447    HE1  TYR  67           HE1      TYR  67  12.046  -6.941   4.726
  448    HE2  TYR  67           HE2      TYR  67  12.220  -3.310   2.438
  449    HH   TYR  67           HH       TYR  67  12.910  -6.772   2.635
  450    H    HIS  68           H        HIS  68   7.931  -4.568   8.989
  451    HA   HIS  68           HA       HIS  68  10.014  -5.721  10.782
  452   1HB   HIS  68          HB2       HIS  68   7.354  -4.597  11.184
  453   2HB   HIS  68          HB1       HIS  68   7.508  -6.190  11.926
  454    HD1  HIS  68           HD1      HIS  68   9.384  -6.485  13.747
  455    HD2  HIS  68           HD2      HIS  68   8.891  -2.569  12.404
  456    HE1  HIS  68           HE1      HIS  68  10.620  -5.003  15.388
  Start of MODEL   14
    1   1H    GLY   1          HT1       GLY   1  -7.994  -9.874   9.994
    2   2H    GLY   1          HT2       GLY   1  -9.035  -9.132  11.112
    3   3H    GLY   1          HT3       GLY   1  -7.558  -8.397  10.706
    4   1HA   GLY   1          HA1       GLY   1  -8.482  -7.317   9.029
    5   2HA   GLY   1          HA2       GLY   1  -9.033  -8.849   8.349
    6    H    LYS   2           H        LYS   2 -10.602  -6.488   8.244
    7    HA   LYS   2           HA       LYS   2 -12.947  -7.399   9.819
    8   1HB   LYS   2          HB2       LYS   2 -13.443  -5.182  10.633
    9   2HB   LYS   2          HB1       LYS   2 -11.774  -5.545  11.074
   10   1HG   LYS   2          HG2       LYS   2 -11.730  -4.411   8.463
   11   2HG   LYS   2          HG1       LYS   2 -12.753  -3.383   9.468
   12   1HD   LYS   2          HD2       LYS   2 -10.742  -2.470  10.067
   13   2HD   LYS   2          HD1       LYS   2 -10.723  -3.825  11.196
   14   1HE   LYS   2          HE2       LYS   2  -8.841  -4.566  10.215
   15   2HE   LYS   2          HE1       LYS   2  -9.757  -4.829   8.733
   16   1HZ   LYS   2          HZ1       LYS   2  -9.409  -2.304   8.420
   17   2HZ   LYS   2          HZ2       LYS   2  -8.136  -3.368   8.057
   18   3HZ   LYS   2          HZ3       LYS   2  -8.134  -2.505   9.521
   19    H    GLU   3           H        GLU   3 -14.297  -4.817   8.956
   20    HA   GLU   3           HA       GLU   3 -14.555  -5.477   6.048
   21   1HB   GLU   3          HB2       GLU   3 -16.987  -4.703   6.381
   22   2HB   GLU   3          HB1       GLU   3 -16.558  -6.281   7.042
   23   1HG   GLU   3          HG2       GLU   3 -16.602  -5.529   9.237
   24   2HG   GLU   3          HG1       GLU   3 -16.237  -3.864   8.782
   25    H    CYS   4           H        CYS   4 -12.767  -3.522   6.779
   26    HA   CYS   4           HA       CYS   4 -14.240  -1.027   6.053
   27   1HB   CYS   4          HB2       CYS   4 -11.856  -1.300   7.910
   28   2HB   CYS   4          HB1       CYS   4 -12.548   0.232   7.376
   29    H    ASP   5           H        ASP   5 -13.284   0.208   4.435
   30    HA   ASP   5           HA       ASP   5 -10.877  -1.007   3.146
   31   1HB   ASP   5          HB2       ASP   5 -13.077  -0.855   1.853
   32   2HB   ASP   5          HB1       ASP   5 -12.843   0.894   1.853
   33    H    CYS   6           H        CYS   6 -12.297   1.983   4.355
   34    HA   CYS   6           HA       CYS   6  -9.691   3.350   3.821
   35   1HB   CYS   6          HB2       CYS   6 -10.846   5.407   3.650
   36   2HB   CYS   6          HB1       CYS   6 -11.901   4.266   2.831
   37    H    SER   7           H        SER   7  -9.664   5.348   5.655
   38    HA   SER   7           HA       SER   7  -9.859   3.881   8.250
   39   1HB   SER   7          HB2       SER   7  -7.550   4.375   7.663
   40   2HB   SER   7          HB1       SER   7  -7.949   6.064   7.362
   41    HG   SER   7           HG       SER   7  -7.100   5.164   9.572
   42    H    SER   8           H        SER   8 -11.364   6.279   6.515
   43    HA   SER   8           HA       SER   8 -12.142   7.691   9.035
   44   1HB   SER   8          HB2       SER   8 -11.285   8.748   6.421
   45   2HB   SER   8          HB1       SER   8 -12.754   9.487   7.055
   46    HG   SER   8           HG       SER   8 -11.664  10.122   8.844
   47    HA   PRO   9           HA       PRO   9 -16.163   6.232   7.844
   48   1HB   PRO   9          HB2       PRO   9 -17.525   7.448   9.899
   49   2HB   PRO   9          HB1       PRO   9 -16.577   5.963  10.097
   50   1HG   PRO   9          HG2       PRO   9 -15.923   8.736  10.970
   51   2HG   PRO   9          HG1       PRO   9 -15.369   7.190  11.635
   52   1HD   PRO   9          HD2       PRO   9 -13.885   8.899   9.924
   53   2HD   PRO   9          HD1       PRO   9 -13.469   7.227  10.356
   54    H    GLU  10           H        GLU  10 -14.975   9.296   7.480
   55    HA   GLU  10           HA       GLU  10 -17.589  10.314   6.438
   56   1HB   GLU  10          HB2       GLU  10 -15.320  12.029   7.483
   57   2HB   GLU  10          HB1       GLU  10 -16.953  12.550   7.061
   58   1HG   GLU  10          HG2       GLU  10 -17.703  12.042   9.120
   59   2HG   GLU  10          HG1       GLU  10 -17.069  10.401   8.990
   60    H    ASN  11           H        ASN  11 -15.634   8.741   4.999
   61    HA   ASN  11           HA       ASN  11 -14.411  10.767   3.188
   62   1HB   ASN  11          HB2       ASN  11 -13.261   8.580   4.311
   63   2HB   ASN  11          HB1       ASN  11 -13.839   7.882   2.800
   64   1HD2  ASN  11          1HD2      ASN  11 -11.913   7.786   1.572
   65   2HD2  ASN  11          2HD2      ASN  11 -10.938   9.134   1.236
   66    HA   PRO  12           HA       PRO  12 -17.517   9.723   0.211
   67   1HB   PRO  12          HB2       PRO  12 -16.348  10.990  -1.932
   68   2HB   PRO  12          HB1       PRO  12 -17.202  11.848  -0.638
   69   1HG   PRO  12          HG2       PRO  12 -14.270  11.657  -1.141
   70   2HG   PRO  12          HG1       PRO  12 -15.186  12.926  -0.310
   71   1HD   PRO  12          HD2       PRO  12 -13.668  10.878   0.933
   72   2HD   PRO  12          HD1       PRO  12 -14.828  11.958   1.737
   73    H    CYS  13           H        CYS  13 -14.566   8.314   0.453
   74    HA   CYS  13           HA       CYS  13 -14.765   6.865  -2.143
   75   1HB   CYS  13          HB2       CYS  13 -12.605   8.112  -1.090
   76   2HB   CYS  13          HB1       CYS  13 -12.392   6.504  -0.401
   77    H    CYS  14           H        CYS  14 -15.344   6.565   1.195
   78    HA   CYS  14           HA       CYS  14 -15.658   3.630   0.828
   79   1HB   CYS  14          HB2       CYS  14 -14.740   3.220   3.073
   80   2HB   CYS  14          HB1       CYS  14 -13.543   4.001   2.042
   81    H    ASP  15           H        ASP  15 -17.630   2.969   1.470
   82    HA   ASP  15           HA       ASP  15 -19.614   4.777   2.434
   83   1HB   ASP  15          HB2       ASP  15 -19.911   2.525   1.213
   84   2HB   ASP  15          HB1       ASP  15 -19.715   1.781   2.801
   85    H    ALA  16           H        ALA  16 -19.949   5.509   4.481
   86    HA   ALA  16           HA       ALA  16 -18.270   4.681   6.670
   87   1HB   ALA  16          HB1       ALA  16 -20.827   6.029   7.317
   88   2HB   ALA  16          HB2       ALA  16 -19.789   6.884   6.176
   89   3HB   ALA  16          HB3       ALA  16 -19.180   6.461   7.776
   90    H    ALA  17           H        ALA  17 -21.482   3.751   5.583
   91    HA   ALA  17           HA       ALA  17 -22.427   2.482   7.933
   92   1HB   ALA  17          HB1       ALA  17 -23.254   0.874   5.774
   93   2HB   ALA  17          HB2       ALA  17 -23.097   2.501   5.113
   94   3HB   ALA  17          HB3       ALA  17 -24.146   2.210   6.501
   95    H    THR  18           H        THR  18 -20.367   1.203   5.315
   96    HA   THR  18           HA       THR  18 -19.735  -1.102   7.118
   97    HB   THR  18           HB       THR  18 -20.897  -1.878   5.117
   98    HG1  THR  18           HG1      THR  18 -19.318  -3.285   4.410
   99   1HG2  THR  18          1HG2      THR  18 -20.331   0.131   3.730
  100   2HG2  THR  18          2HG2      THR  18 -20.075  -1.396   2.884
  101   3HG2  THR  18          3HG2      THR  18 -18.699  -0.511   3.543
  102    H    CYS  19           H        CYS  19 -18.516   1.703   6.526
  103    HA   CYS  19           HA       CYS  19 -16.401   2.640   6.132
  104   1HB   CYS  19          HB2       CYS  19 -14.613   1.555   7.508
  105   2HB   CYS  19          HB1       CYS  19 -16.106   1.848   8.395
  106    H    LYS  20           H        LYS  20 -17.293   0.606   4.075
  107    HA   LYS  20           HA       LYS  20 -14.584  -0.299   3.183
  108   1HB   LYS  20          HB2       LYS  20 -17.360  -1.242   2.410
  109   2HB   LYS  20          HB1       LYS  20 -15.884  -1.770   1.601
  110   1HG   LYS  20          HG2       LYS  20 -15.132  -2.267   4.118
  111   2HG   LYS  20          HG1       LYS  20 -16.876  -2.412   4.341
  112   1HD   LYS  20          HD2       LYS  20 -16.783  -4.480   3.465
  113   2HD   LYS  20          HD1       LYS  20 -16.256  -3.777   1.936
  114   1HE   LYS  20          HE2       LYS  20 -13.924  -3.891   2.636
  115   2HE   LYS  20          HE1       LYS  20 -14.401  -4.472   4.232
  116   1HZ   LYS  20          HZ1       LYS  20 -15.029  -6.508   3.404
  117   2HZ   LYS  20          HZ2       LYS  20 -13.686  -6.153   2.424
  118   3HZ   LYS  20          HZ3       LYS  20 -15.262  -5.932   1.826
  119    H    LEU  21           H        LEU  21 -14.483  -0.304   0.634
  120    HA   LEU  21           HA       LEU  21 -14.566   2.384  -0.260
  121   1HB   LEU  21          HB2       LEU  21 -14.294  -0.274  -1.613
  122   2HB   LEU  21          HB1       LEU  21 -14.599   1.145  -2.614
  123    HG   LEU  21           HG       LEU  21 -12.496   1.435  -0.537
  124   1HD1  LEU  21          1HD1      LEU  21 -11.734   0.090  -3.106
  125   2HD1  LEU  21          2HD1      LEU  21 -12.344  -0.902  -1.782
  126   3HD1  LEU  21          3HD1      LEU  21 -10.899   0.081  -1.554
  127   1HD2  LEU  21          1HD2      LEU  21 -11.409   2.457  -2.679
  128   2HD2  LEU  21          2HD2      LEU  21 -12.744   3.311  -1.905
  129   3HD2  LEU  21          3HD2      LEU  21 -13.037   2.340  -3.348
  130    H    ARG  22           H        ARG  22 -15.857   2.897  -2.413
  131    HA   ARG  22           HA       ARG  22 -18.638   1.896  -2.216
  132   1HB   ARG  22          HB2       ARG  22 -18.845   4.687  -2.743
  133   2HB   ARG  22          HB1       ARG  22 -19.471   3.791  -1.364
  134   1HG   ARG  22          HG2       ARG  22 -17.462   4.139  -0.105
  135   2HG   ARG  22          HG1       ARG  22 -16.602   4.747  -1.520
  136   1HD   ARG  22          HD2       ARG  22 -17.251   6.645  -0.159
  137   2HD   ARG  22          HD1       ARG  22 -18.244   6.649  -1.616
  138    HE   ARG  22           HE       ARG  22 -19.191   6.117   1.116
  139   1HH1  ARG  22          1HH2      ARG  22 -20.184   7.518  -1.630
  140   2HH1  ARG  22          2HH2      ARG  22 -21.693   6.683  -1.786
  141   1HH2  ARG  22          1HH1      ARG  22 -20.949   4.332   0.650
  142   2HH2  ARG  22          2HH1      ARG  22 -22.125   4.878  -0.498
  143    HA   PRO  23           HA       PRO  23 -18.192   3.805  -6.518
  144   1HB   PRO  23          HB2       PRO  23 -16.009   5.367  -7.101
  145   2HB   PRO  23          HB1       PRO  23 -17.529   6.008  -6.452
  146   1HG   PRO  23          HG2       PRO  23 -14.924   5.577  -5.061
  147   2HG   PRO  23          HG1       PRO  23 -16.200   6.755  -4.714
  148   1HD   PRO  23          HD2       PRO  23 -15.745   4.373  -3.294
  149   2HD   PRO  23          HD1       PRO  23 -17.215   5.358  -3.220
  150    H    GLY  24           H        GLY  24 -16.026   3.944  -8.328
  151   1HA   GLY  24          HA2       GLY  24 -15.051   1.170  -8.176
  152   2HA   GLY  24          HA1       GLY  24 -14.872   2.257  -9.554
  153    H    ALA  25           H        ALA  25 -13.967   2.877  -6.174
  154    HA   ALA  25           HA       ALA  25 -11.237   3.552  -7.095
  155   1HB   ALA  25          HB1       ALA  25 -11.137   4.130  -4.489
  156   2HB   ALA  25          HB2       ALA  25 -12.891   4.125  -4.664
  157   3HB   ALA  25          HB3       ALA  25 -11.912   5.223  -5.635
  158    H    GLN  26           H        GLN  26  -9.418   2.337  -6.503
  159    HA   GLN  26           HA       GLN  26  -9.863  -0.392  -5.663
  160   1HB   GLN  26          HB2       GLN  26  -7.647   1.213  -6.635
  161   2HB   GLN  26          HB1       GLN  26  -7.138   0.196  -5.286
  162   1HG   GLN  26          HG2       GLN  26  -7.286  -1.684  -6.528
  163   2HG   GLN  26          HG1       GLN  26  -8.875  -1.233  -7.150
  164   1HE2  GLN  26          1HE2      GLN  26  -8.785  -1.134  -9.395
  165   2HE2  GLN  26          2HE2      GLN  26  -7.499  -0.485 -10.293
  166    H    CYS  27           H        CYS  27  -9.047   2.578  -4.018
  167    HA   CYS  27           HA       CYS  27  -9.458   1.224  -1.454
  168   1HB   CYS  27          HB2       CYS  27  -7.317   1.231  -0.708
  169   2HB   CYS  27          HB1       CYS  27  -6.825   1.549  -2.358
  170    H    GLY  28           H        GLY  28 -10.371   2.616   0.048
  171   1HA   GLY  28          HA2       GLY  28 -11.203   5.198  -0.986
  172   2HA   GLY  28          HA1       GLY  28 -11.623   4.550   0.599
  173    H    GLU  29           H        GLU  29  -8.833   3.955   1.246
  174    HA   GLU  29           HA       GLU  29  -7.503   6.594   1.268
  175   1HB   GLU  29          HB2       GLU  29  -8.977   6.592   3.260
  176   2HB   GLU  29          HB1       GLU  29  -8.229   5.091   3.797
  177   1HG   GLU  29          HG2       GLU  29  -6.479   7.443   3.178
  178   2HG   GLU  29          HG1       GLU  29  -7.356   7.410   4.708
  179    H    GLY  30           H        GLY  30  -5.204   6.356   1.959
  180   1HA   GLY  30          HA1       GLY  30  -3.891   4.055   2.784
  181   2HA   GLY  30          HA2       GLY  30  -4.128   3.804   1.065
  182    H    LEU  31           H        LEU  31  -1.724   4.551   2.939
  183    HA   LEU  31           HA       LEU  31  -0.713   7.084   2.199
  184   1HB   LEU  31          HB2       LEU  31   0.421   4.552   3.198
  185   2HB   LEU  31          HB1       LEU  31   1.548   5.522   2.257
  186    HG   LEU  31           HG       LEU  31  -0.035   6.439   4.675
  187   1HD1  LEU  31          1HD1      LEU  31   2.413   5.094   4.473
  188   2HD1  LEU  31          2HD1      LEU  31   1.824   5.985   5.876
  189   3HD1  LEU  31          3HD1      LEU  31   2.858   6.785   4.693
  190   1HD2  LEU  31          1HD2      LEU  31   0.108   8.468   3.653
  191   2HD2  LEU  31          2HD2      LEU  31   1.297   7.896   2.485
  192   3HD2  LEU  31          3HD2      LEU  31   1.813   8.396   4.096
  193    H    CYS  32           H        CYS  32  -0.916   4.089   0.400
  194    HA   CYS  32           HA       CYS  32   0.576   5.366  -1.844
  195   1HB   CYS  32          HB2       CYS  32  -0.135   2.447  -1.708
  196   2HB   CYS  32          HB1       CYS  32   1.178   3.223  -2.594
  197    H    CYS  33           H        CYS  33  -2.091   6.177  -1.418
  198    HA   CYS  33           HA       CYS  33  -3.457   4.847  -3.727
  199   1HB   CYS  33          HB2       CYS  33  -4.532   5.852  -1.113
  200   2HB   CYS  33          HB1       CYS  33  -5.575   5.815  -2.537
  201    H    GLU  34           H        GLU  34  -3.131   6.257  -5.412
  202    HA   GLU  34           HA       GLU  34  -3.313   9.176  -4.893
  203   1HB   GLU  34          HB2       GLU  34  -2.223   7.485  -7.127
  204   2HB   GLU  34          HB1       GLU  34  -2.678   9.160  -7.450
  205   1HG   GLU  34          HG2       GLU  34  -1.238   9.240  -5.037
  206   2HG   GLU  34          HG1       GLU  34  -0.336   8.139  -6.079
  207    H    GLN  35           H        GLN  35  -5.350   9.988  -5.049
  208    HA   GLN  35           HA       GLN  35  -7.485  10.411  -5.930
  209   1HB   GLN  35          HB2       GLN  35  -6.699   8.768  -8.342
  210   2HB   GLN  35          HB1       GLN  35  -7.821  10.127  -8.262
  211   1HG   GLN  35          HG2       GLN  35  -5.741  11.494  -7.483
  212   2HG   GLN  35          HG1       GLN  35  -4.811  10.162  -8.169
  213   1HE2  GLN  35          1HE2      GLN  35  -6.914   9.670 -10.286
  214   2HE2  GLN  35          2HE2      GLN  35  -6.710  10.923 -11.412
  215    H    CYS  36           H        CYS  36  -7.013   8.174  -4.228
  216    HA   CYS  36           HA       CYS  36  -8.150   6.285  -3.442
  217   1HB   CYS  36          HB2       CYS  36 -10.077   7.401  -5.452
  218   2HB   CYS  36          HB1       CYS  36 -10.358   5.801  -4.785
  219    H    LYS  37           H        LYS  37  -6.133   6.103  -5.615
  220    HA   LYS  37           HA       LYS  37  -7.023   3.471  -6.718
  221   1HB   LYS  37          HB2       LYS  37  -5.311   5.516  -8.164
  222   2HB   LYS  37          HB1       LYS  37  -5.850   3.963  -8.802
  223   1HG   LYS  37          HG2       LYS  37  -7.767   6.111  -7.869
  224   2HG   LYS  37          HG1       LYS  37  -7.226   5.968  -9.543
  225   1HD   LYS  37          HD2       LYS  37  -7.973   3.374  -8.888
  226   2HD   LYS  37          HD1       LYS  37  -9.191   4.366  -8.085
  227   1HE   LYS  37          HE2       LYS  37  -9.076   5.642 -10.465
  228   2HE   LYS  37          HE1       LYS  37  -8.649   4.011 -10.985
  229   1HZ   LYS  37          HZ1       LYS  37 -11.144   5.009  -9.840
  230   2HZ   LYS  37          HZ2       LYS  37 -10.673   3.430  -9.424
  231   3HZ   LYS  37          HZ3       LYS  37 -10.895   3.852 -11.055
  232    H    PHE  38           H        PHE  38  -5.385   1.876  -6.800
  233    HA   PHE  38           HA       PHE  38  -3.291   2.128  -4.839
  234   1HB   PHE  38          HB2       PHE  38  -3.820   0.080  -7.004
  235   2HB   PHE  38          HB1       PHE  38  -2.503  -0.069  -5.842
  236    HD1  PHE  38           HD1      PHE  38  -3.835   1.079  -3.411
  237    HD2  PHE  38           HD2      PHE  38  -5.268  -1.687  -6.369
  238    HE1  PHE  38           HE1      PHE  38  -5.409   0.120  -1.757
  239    HE2  PHE  38           HE2      PHE  38  -6.842  -2.644  -4.710
  240    HZ   PHE  38           HZ       PHE  38  -6.912  -1.741  -2.403
  241    H    SER  39           H        SER  39  -1.283   2.991  -5.105
  242    HA   SER  39           HA       SER  39  -0.475   4.105  -7.651
  243   1HB   SER  39          HB2       SER  39   1.341   3.580  -5.288
  244   2HB   SER  39          HB1       SER  39   1.499   4.833  -6.515
  245    HG   SER  39           HG       SER  39  -0.205   5.902  -5.645
  246    H    ARG  40           H        ARG  40   2.174   3.422  -7.994
  247    HA   ARG  40           HA       ARG  40   1.900   0.612  -8.888
  248   1HB   ARG  40          HB2       ARG  40   3.023   2.838 -10.077
  249   2HB   ARG  40          HB1       ARG  40   4.437   1.984  -9.459
  250   1HG   ARG  40          HG2       ARG  40   4.287   0.669 -11.287
  251   2HG   ARG  40          HG1       ARG  40   2.858  -0.042 -10.536
  252   1HD   ARG  40          HD2       ARG  40   2.383   2.529 -11.911
  253   2HD   ARG  40          HD1       ARG  40   2.846   1.198 -12.972
  254    HE   ARG  40           HE       ARG  40   0.485   1.116 -11.136
  255   1HH1  ARG  40          1HH2      ARG  40   1.513   1.073 -14.325
  256   2HH1  ARG  40          2HH2      ARG  40   0.571  -0.302 -14.798
  257   1HH2  ARG  40          1HH1      ARG  40  -0.426  -1.063 -11.564
  258   2HH2  ARG  40          2HH1      ARG  40  -0.530  -1.510 -13.234
  259    H    ALA  41           H        ALA  41   3.911  -0.795  -8.585
  260    HA   ALA  41           HA       ALA  41   4.554  -0.905  -5.765
  261   1HB   ALA  41          HB1       ALA  41   4.479  -2.809  -7.612
  262   2HB   ALA  41          HB2       ALA  41   5.577  -2.933  -6.238
  263   3HB   ALA  41          HB3       ALA  41   6.179  -2.383  -7.801
  264    H    GLY  42           H        GLY  42   6.438  -0.252  -4.732
  265   1HA   GLY  42          HA2       GLY  42   8.773   0.446  -4.732
  266   2HA   GLY  42          HA1       GLY  42   8.586   0.939  -6.414
  267    H    LYS  43           H        LYS  43   6.060   1.721  -4.153
  268    HA   LYS  43           HA       LYS  43   6.674   4.596  -4.538
  269   1HB   LYS  43          HB2       LYS  43   4.377   4.118  -4.881
  270   2HB   LYS  43          HB1       LYS  43   4.296   3.080  -3.462
  271   1HG   LYS  43          HG2       LYS  43   3.232   5.129  -2.836
  272   2HG   LYS  43          HG1       LYS  43   4.816   5.164  -2.071
  273   1HD   LYS  43          HD2       LYS  43   4.799   7.267  -3.038
  274   2HD   LYS  43          HD1       LYS  43   5.511   6.334  -4.355
  275   1HE   LYS  43          HE2       LYS  43   3.102   5.981  -5.183
  276   2HE   LYS  43          HE1       LYS  43   2.654   7.270  -4.066
  277   1HZ   LYS  43          HZ1       LYS  43   4.562   7.434  -6.330
  278   2HZ   LYS  43          HZ2       LYS  43   4.392   8.652  -5.157
  279   3HZ   LYS  43          HZ3       LYS  43   3.085   8.251  -6.167
  280    H    ILE  44           H        ILE  44   7.956   5.573  -3.065
  281    HA   ILE  44           HA       ILE  44   8.732   4.389  -0.588
  282    HB   ILE  44           HB       ILE  44  10.125   6.055  -1.705
  283   1HG1  ILE  44          2HG1      ILE  44  10.545   7.563   0.249
  284   2HG1  ILE  44          1HG1      ILE  44   9.049   6.981   0.978
  285   1HG2  ILE  44          1HG2      ILE  44   9.396   8.131  -2.325
  286   2HG2  ILE  44          2HG2      ILE  44   8.394   8.321  -0.885
  287   3HG2  ILE  44          3HG2      ILE  44   7.810   7.363  -2.246
  288   1HD1  ILE  44          1HD1      ILE  44  10.396   4.647   0.267
  289   2HD1  ILE  44          2HD1      ILE  44  10.280   5.324   1.891
  290   3HD1  ILE  44          3HD1      ILE  44  11.670   5.705   0.875
  291    H    CYS  45           H        CYS  45   6.675   3.856   0.424
  292    HA   CYS  45           HA       CYS  45   4.838   5.985   1.234
  293   1HB   CYS  45          HB2       CYS  45   3.961   4.154   2.792
  294   2HB   CYS  45          HB1       CYS  45   3.829   3.827   1.072
  295    H    ARG  46           H        ARG  46   7.400   4.069   2.735
  296    HA   ARG  46           HA       ARG  46   7.368   6.013   5.018
  297   1HB   ARG  46          HB2       ARG  46   7.203   3.123   5.011
  298   2HB   ARG  46          HB1       ARG  46   8.643   3.654   5.882
  299   1HG   ARG  46          HG2       ARG  46   6.454   5.376   6.581
  300   2HG   ARG  46          HG1       ARG  46   5.952   3.698   6.793
  301   1HD   ARG  46          HD2       ARG  46   8.652   4.058   7.760
  302   2HD   ARG  46          HD1       ARG  46   7.569   5.215   8.532
  303    HE   ARG  46           HE       ARG  46   6.834   2.325   8.475
  304   1HH1  ARG  46          1HH2      ARG  46   8.891   3.437  10.531
  305   2HH1  ARG  46          2HH2      ARG  46   7.856   3.658  11.902
  306   1HH2  ARG  46          1HH1      ARG  46   4.926   3.377  10.069
  307   2HH2  ARG  46          2HH1      ARG  46   5.611   3.621  11.641
  308    H    ILE  47           H        ILE  47   9.157   7.245   5.014
  309    HA   ILE  47           HA       ILE  47  11.604   6.224   3.664
  310    HB   ILE  47           HB       ILE  47  10.657   8.466   3.021
  311   1HG1  ILE  47          2HG1      ILE  47  13.051   9.584   3.882
  312   2HG1  ILE  47          1HG1      ILE  47  13.392   7.853   3.877
  313   1HG2  ILE  47          1HG2      ILE  47  11.683   9.433   5.687
  314   2HG2  ILE  47          2HG2      ILE  47  10.008   8.914   5.493
  315   3HG2  ILE  47          3HG2      ILE  47  10.629  10.266   4.545
  316   1HD1  ILE  47          1HD1      ILE  47  13.720   8.066   1.651
  317   2HD1  ILE  47          2HD1      ILE  47  12.985   9.670   1.622
  318   3HD1  ILE  47          3HD1      ILE  47  11.969   8.232   1.521
  319    H    ALA  48           H        ALA  48  13.316   5.584   4.896
  320    HA   ALA  48           HA       ALA  48  13.312   6.393   7.779
  321   1HB   ALA  48          HB1       ALA  48  13.154   3.828   6.752
  322   2HB   ALA  48          HB2       ALA  48  13.683   4.243   8.383
  323   3HB   ALA  48          HB3       ALA  48  14.873   4.006   7.103
  324    H    ARG  49           H        ARG  49  14.994   7.692   8.293
  325    HA   ARG  49           HA       ARG  49  17.318   7.810   6.455
  326   1HB   ARG  49          HB2       ARG  49  17.927   9.828   7.830
  327   2HB   ARG  49          HB1       ARG  49  16.355   9.957   7.040
  328   1HG   ARG  49          HG2       ARG  49  16.263   8.709   9.710
  329   2HG   ARG  49          HG1       ARG  49  16.786  10.395   9.715
  330   1HD   ARG  49          HD2       ARG  49  14.687  11.102   9.318
  331   2HD   ARG  49          HD1       ARG  49  14.563  10.060   7.900
  332    HE   ARG  49           HE       ARG  49  14.144   8.255   9.864
  333   1HH1  ARG  49          1HH1      ARG  49  11.830   9.469   8.360
  334   2HH1  ARG  49          2HH1      ARG  49  10.849  10.077   9.652
  335   1HH2  ARG  49          1HH2      ARG  49  13.383   9.899  12.011
  336   2HH2  ARG  49          2HH2      ARG  49  11.727  10.318  11.719
  337    H    GLY  50           H        GLY  50  19.502   8.153   7.679
  338   1HA   GLY  50          HA2       GLY  50  21.000   7.505   9.427
  339   2HA   GLY  50          HA1       GLY  50  19.678   6.637  10.207
  340    H    ASP  51           H        ASP  51  20.981   4.722  10.408
  341    HA   ASP  51           HA       ASP  51  22.012   3.471   7.948
  342   1HB   ASP  51          HB2       ASP  51  22.769   3.372  10.615
  343   2HB   ASP  51          HB1       ASP  51  21.976   1.816  10.367
  344    H    MET  52           H        MET  52  19.489   3.627   7.355
  345    HA   MET  52           HA       MET  52  18.489   0.864   7.621
  346   1HB   MET  52          HB2       MET  52  17.170   3.265   8.822
  347   2HB   MET  52          HB1       MET  52  16.139   2.044   8.077
  348   1HG   MET  52          HG2       MET  52  16.274   1.053  10.128
  349   2HG   MET  52          HG1       MET  52  17.815   0.455   9.513
  350   1HE   MET  52          HE1       MET  52  18.418  -0.071  11.570
  351   2HE   MET  52          HE2       MET  52  18.948   0.951  12.904
  352   3HE   MET  52          HE3       MET  52  19.966   0.777  11.476
  353    HA   PRO  53           HA       PRO  53  17.248   1.715   3.498
  354   1HB   PRO  53          HB2       PRO  53  15.361  -0.267   3.214
  355   2HB   PRO  53          HB1       PRO  53  17.107  -0.568   3.207
  356   1HG   PRO  53          HG2       PRO  53  15.115  -1.118   5.359
  357   2HG   PRO  53          HG1       PRO  53  16.654  -1.929   5.020
  358   1HD   PRO  53          HD2       PRO  53  16.210  -0.012   7.051
  359   2HD   PRO  53          HD1       PRO  53  17.795  -0.567   6.470
  360    H    ASP  54           H        ASP  54  14.622   1.267   2.466
  361    HA   ASP  54           HA       ASP  54  12.978   3.180   4.072
  362   1HB   ASP  54          HB2       ASP  54  13.281   3.129   1.052
  363   2HB   ASP  54          HB1       ASP  54  12.242   4.223   1.966
  364    H    ASP  55           H        ASP  55  10.630   3.160   2.874
  365    HA   ASP  55           HA       ASP  55   9.916   0.268   2.566
  366   1HB   ASP  55          HB2       ASP  55   8.945   2.234   4.417
  367   2HB   ASP  55          HB1       ASP  55   7.629   1.784   3.333
  368    H    ARG  56           H        ARG  56   9.061  -0.205   0.591
  369    HA   ARG  56           HA       ARG  56   7.944   2.073  -0.988
  370   1HB   ARG  56          HB2       ARG  56   9.113  -0.461  -2.141
  371   2HB   ARG  56          HB1       ARG  56   8.764   1.052  -2.978
  372   1HG   ARG  56          HG2       ARG  56  10.483   1.645  -0.778
  373   2HG   ARG  56          HG1       ARG  56  11.182   0.288  -1.663
  374   1HD   ARG  56          HD2       ARG  56  10.670   1.687  -3.788
  375   2HD   ARG  56          HD1       ARG  56  10.512   3.047  -2.676
  376    HE   ARG  56           HE       ARG  56  12.983   1.534  -2.309
  377   1HH1  ARG  56          1HH2      ARG  56  12.060   2.992  -5.088
  378   2HH1  ARG  56          2HH2      ARG  56  13.182   4.311  -5.026
  379   1HH2  ARG  56          1HH1      ARG  56  14.135   3.691  -1.749
  380   2HH2  ARG  56          2HH1      ARG  56  14.358   4.704  -3.136
  381    H    CYS  57           H        CYS  57   5.843   1.891  -1.615
  382    HA   CYS  57           HA       CYS  57   4.166  -0.235  -0.706
  383   1HB   CYS  57          HB2       CYS  57   3.507   1.451  -3.116
  384   2HB   CYS  57          HB1       CYS  57   2.411   0.795  -1.905
  385    H    THR  58           H        THR  58   3.056  -1.851  -1.966
  386    HA   THR  58           HA       THR  58   4.776  -3.073  -4.005
  387    HB   THR  58           HB       THR  58   3.363  -4.997  -3.793
  388    HG1  THR  58           HG1      THR  58   1.350  -4.882  -3.008
  389   1HG2  THR  58          1HG2      THR  58   4.012  -5.500  -1.684
  390   2HG2  THR  58          2HG2      THR  58   3.063  -4.185  -0.989
  391   3HG2  THR  58          3HG2      THR  58   4.668  -3.863  -1.644
  392    H    GLY  59           H        GLY  59   2.607  -0.649  -4.164
  393   1HA   GLY  59          HA2       GLY  59   1.651   0.324  -6.104
  394   2HA   GLY  59          HA1       GLY  59   2.106  -1.119  -7.010
  395    H    GLN  60           H        GLN  60   0.677  -2.415  -4.420
  396    HA   GLN  60           HA       GLN  60  -2.070  -2.178  -5.577
  397   1HB   GLN  60          HB2       GLN  60  -0.624  -4.645  -4.578
  398   2HB   GLN  60          HB1       GLN  60  -2.361  -4.596  -4.884
  399   1HG   GLN  60          HG2       GLN  60  -0.433  -3.695  -7.011
  400   2HG   GLN  60          HG1       GLN  60  -0.770  -5.413  -6.792
  401   1HE2  GLN  60          1HE2      GLN  60  -1.776  -5.152  -9.053
  402   2HE2  GLN  60          2HE2      GLN  60  -3.385  -4.620  -9.142
  403    H    SER  61           H        SER  61  -0.073  -2.010  -2.785
  404    HA   SER  61           HA       SER  61  -2.345  -2.430  -0.933
  405   1HB   SER  61          HB2       SER  61  -0.346  -3.300  -0.041
  406   2HB   SER  61          HB1       SER  61   0.602  -1.916  -0.576
  407    HG   SER  61           HG       SER  61   0.250  -1.602   1.568
  408    H    ALA  62           H        ALA  62  -3.231  -0.778   0.353
  409    HA   ALA  62           HA       ALA  62  -2.966   1.948  -0.768
  410   1HB   ALA  62          HB1       ALA  62  -5.176   0.709  -0.030
  411   2HB   ALA  62          HB2       ALA  62  -4.994   2.421   0.316
  412   3HB   ALA  62          HB3       ALA  62  -4.709   1.237   1.583
  413    H    ASP  63           H        ASP  63  -2.720   0.359   2.423
  414    HA   ASP  63           HA       ASP  63  -1.432   2.757   3.545
  415   1HB   ASP  63          HB2       ASP  63  -1.549   0.136   4.997
  416   2HB   ASP  63          HB1       ASP  63  -1.735   1.773   5.627
  417    H    CYS  64           H        CYS  64   0.572   1.949   5.079
  418    HA   CYS  64           HA       CYS  64   2.376   0.370   3.302
  419   1HB   CYS  64          HB2       CYS  64   2.893   2.736   3.053
  420   2HB   CYS  64          HB1       CYS  64   3.042   2.917   4.797
  421    HA   PRO  65           HA       PRO  65   2.799  -1.783   7.145
  422   1HB   PRO  65          HB2       PRO  65   4.040  -3.926   5.981
  423   2HB   PRO  65          HB1       PRO  65   2.290  -3.704   5.980
  424   1HG   PRO  65          HG2       PRO  65   4.235  -3.417   3.757
  425   2HG   PRO  65          HG1       PRO  65   2.489  -3.711   3.687
  426   1HD   PRO  65          HD2       PRO  65   3.818  -1.230   3.252
  427   2HD   PRO  65          HD1       PRO  65   2.065  -1.487   3.384
  428    H    ARG  66           H        ARG  66   5.003  -3.396   7.626
  429    HA   ARG  66           HA       ARG  66   7.312  -1.516   7.331
  430   1HB   ARG  66          HB2       ARG  66   6.121  -2.775   9.706
  431   2HB   ARG  66          HB1       ARG  66   7.868  -2.996   9.592
  432   1HG   ARG  66          HG2       ARG  66   7.949  -0.460   9.066
  433   2HG   ARG  66          HG1       ARG  66   6.306  -0.419   9.708
  434   1HD   ARG  66          HD2       ARG  66   7.293  -1.691  11.742
  435   2HD   ARG  66          HD1       ARG  66   8.859  -1.159  11.130
  436    HE   ARG  66           HE       ARG  66   7.782   1.211  11.252
  437   1HH1  ARG  66          1HH1      ARG  66   8.713  -0.426  13.804
  438   2HH1  ARG  66          2HH1      ARG  66   7.488   0.088  14.916
  439   1HH2  ARG  66          1HH2      ARG  66   5.453   1.443  12.457
  440   2HH2  ARG  66          2HH2      ARG  66   5.643   1.147  14.153
  441    H    TYR  67           H        TYR  67   9.460  -2.714   7.592
  442    HA   TYR  67           HA       TYR  67   9.312  -5.219   6.009
  443   1HB   TYR  67          HB2       TYR  67  11.690  -4.881   5.603
  444   2HB   TYR  67          HB1       TYR  67  10.842  -3.365   5.298
  445    HD1  TYR  67           HD1      TYR  67  10.955  -1.506   6.926
  446    HD2  TYR  67           HD2      TYR  67  13.198  -5.128   7.477
  447    HE1  TYR  67           HE1      TYR  67  12.361  -0.377   8.630
  448    HE2  TYR  67           HE2      TYR  67  14.604  -3.999   9.180
  449    HH   TYR  67           HH       TYR  67  13.787  -0.916  10.484
  450    H    HIS  68           H        HIS  68  10.632  -3.989   9.079
  451    HA   HIS  68           HA       HIS  68  10.356  -6.615  10.302
  452   1HB   HIS  68          HB2       HIS  68  12.453  -7.014   9.115
  453   2HB   HIS  68          HB1       HIS  68  13.134  -5.521   9.761
  454    HD1  HIS  68           HD1      HIS  68  11.911  -8.923  10.913
  455    HD2  HIS  68           HD2      HIS  68  14.227  -5.756  12.324
  456    HE1  HIS  68           HE1      HIS  68  12.948  -9.705  13.087
  Start of MODEL   15
    1   1H    GLY   1          HT1       GLY   1 -11.979  -6.903  13.315
    2   2H    GLY   1          HT2       GLY   1 -10.710  -6.469  12.271
    3   3H    GLY   1          HT3       GLY   1 -11.636  -7.857  11.955
    4   1HA   GLY   1          HA1       GLY   1 -13.568  -6.560  11.480
    5   2HA   GLY   1          HA2       GLY   1 -12.716  -5.094  11.963
    6    H    LYS   2           H        LYS   2 -12.733  -7.710   9.559
    7    HA   LYS   2           HA       LYS   2 -10.974  -6.065   7.809
    8   1HB   LYS   2          HB2       LYS   2 -11.282  -8.880   8.247
    9   2HB   LYS   2          HB1       LYS   2 -11.699  -8.531   6.570
   10   1HG   LYS   2          HG2       LYS   2  -9.357  -7.021   7.376
   11   2HG   LYS   2          HG1       LYS   2  -9.112  -8.747   7.645
   12   1HD   LYS   2          HD2       LYS   2  -8.518  -8.685   5.429
   13   2HD   LYS   2          HD1       LYS   2 -10.261  -8.856   5.211
   14   1HE   LYS   2          HE2       LYS   2 -10.530  -6.477   4.919
   15   2HE   LYS   2          HE1       LYS   2  -8.853  -6.179   5.375
   16   1HZ   LYS   2          HZ1       LYS   2  -8.659  -6.167   3.125
   17   2HZ   LYS   2          HZ2       LYS   2  -9.943  -7.253   2.881
   18   3HZ   LYS   2          HZ3       LYS   2  -8.428  -7.825   3.395
   19    H    GLU   3           H        GLU   3 -13.543  -5.028   8.166
   20    HA   GLU   3           HA       GLU   3 -14.726  -5.528   5.469
   21   1HB   GLU   3          HB2       GLU   3 -16.231  -5.081   8.066
   22   2HB   GLU   3          HB1       GLU   3 -16.973  -5.175   6.468
   23   1HG   GLU   3          HG2       GLU   3 -16.338  -7.458   6.197
   24   2HG   GLU   3          HG1       GLU   3 -15.236  -7.390   7.571
   25    H    CYS   4           H        CYS   4 -12.966  -3.397   6.950
   26    HA   CYS   4           HA       CYS   4 -14.639  -1.043   6.159
   27   1HB   CYS   4          HB2       CYS   4 -12.572  -1.409   8.297
   28   2HB   CYS   4          HB1       CYS   4 -12.877   0.189   7.653
   29    H    ASP   5           H        ASP   5 -13.892   0.069   4.412
   30    HA   ASP   5           HA       ASP   5 -11.142  -0.528   3.445
   31   1HB   ASP   5          HB2       ASP   5 -13.212  -0.692   1.918
   32   2HB   ASP   5          HB1       ASP   5 -13.252   1.072   1.981
   33    H    CYS   6           H        CYS   6 -13.205   2.037   4.648
   34    HA   CYS   6           HA       CYS   6 -10.866   3.902   4.494
   35   1HB   CYS   6          HB2       CYS   6 -12.360   5.739   4.248
   36   2HB   CYS   6          HB1       CYS   6 -12.984   4.500   3.166
   37    H    SER   7           H        SER   7 -11.235   5.710   6.330
   38    HA   SER   7           HA       SER   7 -11.895   4.214   8.836
   39   1HB   SER   7          HB2       SER   7 -10.190   5.689   9.932
   40   2HB   SER   7          HB1       SER   7  -9.505   4.628   8.705
   41    HG   SER   7           HG       SER   7  -9.919   7.393   8.684
   42    H    SER   8           H        SER   8 -13.362   6.279   6.960
   43    HA   SER   8           HA       SER   8 -14.455   7.831   9.245
   44   1HB   SER   8          HB2       SER   8 -12.854   8.933   7.110
   45   2HB   SER   8          HB1       SER   8 -14.485   9.591   7.034
   46    HG   SER   8           HG       SER   8 -13.270   9.378   9.537
   47    HA   PRO   9           HA       PRO   9 -18.181   6.622   7.189
   48   1HB   PRO   9          HB2       PRO   9 -19.896   8.083   8.761
   49   2HB   PRO   9          HB1       PRO   9 -19.145   6.566   9.283
   50   1HG   PRO   9          HG2       PRO   9 -18.499   9.358  10.102
   51   2HG   PRO   9          HG1       PRO   9 -18.252   7.843  10.987
   52   1HD   PRO   9          HD2       PRO   9 -16.259   9.300   9.593
   53   2HD   PRO   9          HD1       PRO   9 -16.104   7.643  10.212
   54    H    GLU  10           H        GLU  10 -17.016   9.869   7.424
   55    HA   GLU  10           HA       GLU  10 -19.159  10.936   5.676
   56   1HB   GLU  10          HB2       GLU  10 -16.717  12.349   6.789
   57   2HB   GLU  10          HB1       GLU  10 -18.133  13.106   6.056
   58   1HG   GLU  10          HG2       GLU  10 -18.288  11.358   8.523
   59   2HG   GLU  10          HG1       GLU  10 -18.111  13.112   8.595
   60    H    ASN  11           H        ASN  11 -16.351   9.232   5.265
   61    HA   ASN  11           HA       ASN  11 -15.129  10.680   3.090
   62   1HB   ASN  11          HB2       ASN  11 -14.191   8.742   4.588
   63   2HB   ASN  11          HB1       ASN  11 -14.950   7.696   3.391
   64   1HD2  ASN  11          1HD2      ASN  11 -12.737   7.012   2.710
   65   2HD2  ASN  11          2HD2      ASN  11 -11.809   8.031   1.720
   66    HA   PRO  12           HA       PRO  12 -18.272   9.516   0.136
   67   1HB   PRO  12          HB2       PRO  12 -17.152  10.881  -1.974
   68   2HB   PRO  12          HB1       PRO  12 -18.115  11.659  -0.705
   69   1HG   PRO  12          HG2       PRO  12 -15.161  11.707  -1.115
   70   2HG   PRO  12          HG1       PRO  12 -16.203  12.902  -0.328
   71   1HD   PRO  12          HD2       PRO  12 -14.568  11.011   0.991
   72   2HD   PRO  12          HD1       PRO  12 -15.864  11.969   1.739
   73    H    CYS  13           H        CYS  13 -15.248   8.301   0.459
   74    HA   CYS  13           HA       CYS  13 -15.265   6.908  -2.176
   75   1HB   CYS  13          HB2       CYS  13 -13.187   8.094  -0.626
   76   2HB   CYS  13          HB1       CYS  13 -12.898   6.353  -0.665
   77    H    CYS  14           H        CYS  14 -16.493   6.392   0.804
   78    HA   CYS  14           HA       CYS  14 -16.227   3.475   0.455
   79   1HB   CYS  14          HB2       CYS  14 -15.495   3.055   2.713
   80   2HB   CYS  14          HB1       CYS  14 -14.378   4.205   1.984
   81    H    ASP  15           H        ASP  15 -18.032   2.404   0.937
   82    HA   ASP  15           HA       ASP  15 -20.443   3.848   1.616
   83   1HB   ASP  15          HB2       ASP  15 -20.034   1.588   0.268
   84   2HB   ASP  15          HB1       ASP  15 -20.244   0.869   1.862
   85    H    ALA  16           H        ALA  16 -21.042   4.397   3.659
   86    HA   ALA  16           HA       ALA  16 -19.586   3.486   5.980
   87   1HB   ALA  16          HB1       ALA  16 -20.653   5.687   5.955
   88   2HB   ALA  16          HB2       ALA  16 -21.347   4.713   7.252
   89   3HB   ALA  16          HB3       ALA  16 -22.237   4.942   5.746
   90    H    ALA  17           H        ALA  17 -22.594   2.510   4.423
   91    HA   ALA  17           HA       ALA  17 -23.691   0.940   6.518
   92   1HB   ALA  17          HB1       ALA  17 -25.238   0.880   4.866
   93   2HB   ALA  17          HB2       ALA  17 -24.305  -0.462   4.206
   94   3HB   ALA  17          HB3       ALA  17 -24.028   1.177   3.617
   95    H    THR  18           H        THR  18 -21.133   0.236   4.184
   96    HA   THR  18           HA       THR  18 -20.766  -2.416   5.518
   97    HB   THR  18           HB       THR  18 -19.815  -3.244   3.485
   98    HG1  THR  18           HG1      THR  18 -19.110  -1.951   1.912
   99   1HG2  THR  18          1HG2      THR  18 -21.609  -2.551   1.769
  100   2HG2  THR  18          2HG2      THR  18 -22.259  -1.529   3.051
  101   3HG2  THR  18          3HG2      THR  18 -22.171  -3.276   3.275
  102    H    CYS  19           H        CYS  19 -19.451   0.690   5.130
  103    HA   CYS  19           HA       CYS  19 -17.461   1.588   6.052
  104   1HB   CYS  19          HB2       CYS  19 -17.810  -0.513   7.643
  105   2HB   CYS  19          HB1       CYS  19 -16.461  -1.144   6.733
  106    H    LYS  20           H        LYS  20 -17.772  -0.309   3.430
  107    HA   LYS  20           HA       LYS  20 -14.841  -0.464   2.895
  108   1HB   LYS  20          HB2       LYS  20 -17.232  -1.919   1.881
  109   2HB   LYS  20          HB1       LYS  20 -15.852  -1.739   0.794
  110   1HG   LYS  20          HG2       LYS  20 -15.216  -2.553   3.571
  111   2HG   LYS  20          HG1       LYS  20 -16.071  -3.749   2.597
  112   1HD   LYS  20          HD2       LYS  20 -14.293  -4.085   1.215
  113   2HD   LYS  20          HD1       LYS  20 -13.854  -2.376   1.208
  114   1HE   LYS  20          HE2       LYS  20 -12.090  -3.144   2.459
  115   2HE   LYS  20          HE1       LYS  20 -13.256  -2.965   3.770
  116   1HZ   LYS  20          HZ1       LYS  20 -13.599  -5.195   3.901
  117   2HZ   LYS  20          HZ2       LYS  20 -11.986  -5.210   3.366
  118   3HZ   LYS  20          HZ3       LYS  20 -13.252  -5.473   2.264
  119    H    LEU  21           H        LEU  21 -14.614  -0.296   0.243
  120    HA   LEU  21           HA       LEU  21 -14.840   2.489  -0.303
  121   1HB   LEU  21          HB2       LEU  21 -14.216   0.081  -1.966
  122   2HB   LEU  21          HB1       LEU  21 -14.497   1.634  -2.756
  123    HG   LEU  21           HG       LEU  21 -12.712   1.719  -0.399
  124   1HD1  LEU  21          1HD1      LEU  21 -12.206  -0.426  -1.858
  125   2HD1  LEU  21          2HD1      LEU  21 -10.886   0.613  -1.321
  126   3HD1  LEU  21          3HD1      LEU  21 -11.505   0.752  -2.966
  127   1HD2  LEU  21          1HD2      LEU  21 -11.733   3.468  -1.575
  128   2HD2  LEU  21          2HD2      LEU  21 -13.390   3.533  -2.173
  129   3HD2  LEU  21          3HD2      LEU  21 -12.133   2.770  -3.145
  130    H    ARG  22           H        ARG  22 -16.319   3.639  -1.561
  131    HA   ARG  22           HA       ARG  22 -18.945   2.310  -1.897
  132   1HB   ARG  22          HB2       ARG  22 -18.180   4.879  -1.039
  133   2HB   ARG  22          HB1       ARG  22 -18.943   5.112  -2.612
  134   1HG   ARG  22          HG2       ARG  22 -20.471   3.182  -1.152
  135   2HG   ARG  22          HG1       ARG  22 -20.214   4.588  -0.117
  136   1HD   ARG  22          HD2       ARG  22 -21.344   6.020  -1.542
  137   2HD   ARG  22          HD1       ARG  22 -20.980   5.054  -2.971
  138    HE   ARG  22           HE       ARG  22 -22.642   3.366  -1.723
  139   1HH1  ARG  22          1HH2      ARG  22 -23.062   6.334  -0.430
  140   2HH1  ARG  22          2HH2      ARG  22 -24.649   6.628  -1.058
  141   1HH2  ARG  22          1HH1      ARG  22 -24.572   3.931  -3.237
  142   2HH2  ARG  22          2HH1      ARG  22 -25.505   5.266  -2.647
  143    HA   PRO  23           HA       PRO  23 -18.226   3.946  -6.288
  144   1HB   PRO  23          HB2       PRO  23 -15.919   5.329  -6.837
  145   2HB   PRO  23          HB1       PRO  23 -17.409   6.102  -6.268
  146   1HG   PRO  23          HG2       PRO  23 -14.883   5.589  -4.783
  147   2HG   PRO  23          HG1       PRO  23 -16.133   6.808  -4.483
  148   1HD   PRO  23          HD2       PRO  23 -15.777   4.363  -3.076
  149   2HD   PRO  23          HD1       PRO  23 -17.152   5.474  -2.933
  150    H    GLY  24           H        GLY  24 -16.063   3.817  -8.044
  151   1HA   GLY  24          HA2       GLY  24 -15.217   1.019  -7.685
  152   2HA   GLY  24          HA1       GLY  24 -14.960   2.003  -9.128
  153    H    ALA  25           H        ALA  25 -14.136   3.603  -6.235
  154    HA   ALA  25           HA       ALA  25 -11.364   3.805  -6.958
  155   1HB   ALA  25          HB1       ALA  25 -11.368   4.553  -4.352
  156   2HB   ALA  25          HB2       ALA  25 -13.088   4.700  -4.708
  157   3HB   ALA  25          HB3       ALA  25 -11.911   5.611  -5.654
  158    H    GLN  26           H        GLN  26  -9.549   2.782  -6.003
  159    HA   GLN  26           HA       GLN  26 -10.074   0.094  -4.969
  160   1HB   GLN  26          HB2       GLN  26  -7.917   1.442  -6.275
  161   2HB   GLN  26          HB1       GLN  26  -7.312   0.791  -4.752
  162   1HG   GLN  26          HG2       GLN  26  -7.493  -1.351  -5.466
  163   2HG   GLN  26          HG1       GLN  26  -9.076  -1.064  -6.192
  164   1HE2  GLN  26          1HE2      GLN  26  -8.689  -1.946  -8.285
  165   2HE2  GLN  26          2HE2      GLN  26  -7.508  -1.342  -9.345
  166    H    CYS  27           H        CYS  27  -9.167   3.215  -3.664
  167    HA   CYS  27           HA       CYS  27  -9.449   2.108  -0.954
  168   1HB   CYS  27          HB2       CYS  27  -7.203   1.848  -0.723
  169   2HB   CYS  27          HB1       CYS  27  -6.861   2.773  -2.176
  170    H    GLY  28           H        GLY  28  -9.976   3.701   0.583
  171   1HA   GLY  28          HA2       GLY  28 -10.825   6.292  -0.589
  172   2HA   GLY  28          HA1       GLY  28 -11.380   5.637   0.950
  173    H    GLU  29           H        GLU  29  -8.695   4.864   1.781
  174    HA   GLU  29           HA       GLU  29  -7.222   7.416   1.918
  175   1HB   GLU  29          HB2       GLU  29  -7.296   7.577   4.289
  176   2HB   GLU  29          HB1       GLU  29  -8.960   7.324   3.783
  177   1HG   GLU  29          HG2       GLU  29  -9.081   5.461   5.031
  178   2HG   GLU  29          HG1       GLU  29  -7.728   4.761   4.145
  179    H    GLY  30           H        GLY  30  -4.999   7.091   2.537
  180   1HA   GLY  30          HA2       GLY  30  -3.749   4.893   3.633
  181   2HA   GLY  30          HA1       GLY  30  -4.015   4.396   1.959
  182    H    LEU  31           H        LEU  31  -1.417   4.816   3.142
  183    HA   LEU  31           HA       LEU  31  -0.345   7.399   2.492
  184   1HB   LEU  31          HB2       LEU  31   0.702   4.776   3.289
  185   2HB   LEU  31          HB1       LEU  31   1.769   5.636   2.185
  186    HG   LEU  31           HG       LEU  31   0.580   6.869   4.683
  187   1HD1  LEU  31          1HD1      LEU  31   2.149   5.008   5.202
  188   2HD1  LEU  31          2HD1      LEU  31   2.801   6.576   5.677
  189   3HD1  LEU  31          3HD1      LEU  31   3.375   5.791   4.206
  190   1HD2  LEU  31          1HD2      LEU  31   2.414   7.770   2.494
  191   2HD2  LEU  31          2HD2      LEU  31   2.710   8.368   4.126
  192   3HD2  LEU  31          3HD2      LEU  31   1.159   8.672   3.344
  193    H    CYS  32           H        CYS  32  -0.625   4.377   0.645
  194    HA   CYS  32           HA       CYS  32   0.418   5.833  -1.737
  195   1HB   CYS  32          HB2       CYS  32   0.198   2.894  -1.072
  196   2HB   CYS  32          HB1       CYS  32   0.546   3.467  -2.704
  197    H    CYS  33           H        CYS  33  -2.038   6.690  -1.229
  198    HA   CYS  33           HA       CYS  33  -3.790   5.124  -3.086
  199   1HB   CYS  33          HB2       CYS  33  -4.479   6.716  -0.608
  200   2HB   CYS  33          HB1       CYS  33  -5.693   6.292  -1.815
  201    H    GLU  34           H        GLU  34  -3.392   6.267  -4.984
  202    HA   GLU  34           HA       GLU  34  -3.501   9.229  -4.899
  203   1HB   GLU  34          HB2       GLU  34  -1.784   7.700  -6.240
  204   2HB   GLU  34          HB1       GLU  34  -3.082   7.697  -7.437
  205   1HG   GLU  34          HG2       GLU  34  -1.915   9.601  -8.081
  206   2HG   GLU  34          HG1       GLU  34  -3.089  10.301  -6.964
  207    H    GLN  35           H        GLN  35  -5.453  10.155  -5.224
  208    HA   GLN  35           HA       GLN  35  -7.620  10.497  -6.039
  209   1HB   GLN  35          HB2       GLN  35  -6.123   9.309  -8.197
  210   2HB   GLN  35          HB1       GLN  35  -7.780   8.706  -8.229
  211   1HG   GLN  35          HG2       GLN  35  -8.091  11.413  -7.684
  212   2HG   GLN  35          HG1       GLN  35  -6.768  11.378  -8.850
  213   1HE2  GLN  35          1HE2      GLN  35  -9.986   9.797  -8.382
  214   2HE2  GLN  35          2HE2      GLN  35 -10.414   9.856 -10.024
  215    H    CYS  36           H        CYS  36  -7.195   8.536  -4.020
  216    HA   CYS  36           HA       CYS  36  -8.439   6.878  -2.917
  217   1HB   CYS  36          HB2       CYS  36 -10.267   7.899  -4.997
  218   2HB   CYS  36          HB1       CYS  36 -10.605   6.260  -4.459
  219    H    LYS  37           H        LYS  37  -6.743   6.468  -5.624
  220    HA   LYS  37           HA       LYS  37  -7.512   3.592  -5.900
  221   1HB   LYS  37          HB2       LYS  37  -6.682   5.655  -7.868
  222   2HB   LYS  37          HB1       LYS  37  -6.012   4.040  -8.106
  223   1HG   LYS  37          HG2       LYS  37  -8.782   3.765  -7.453
  224   2HG   LYS  37          HG1       LYS  37  -8.637   4.961  -8.741
  225   1HD   LYS  37          HD2       LYS  37  -6.860   3.042  -9.570
  226   2HD   LYS  37          HD1       LYS  37  -8.112   2.062  -8.805
  227   1HE   LYS  37          HE2       LYS  37  -8.873   2.287 -11.026
  228   2HE   LYS  37          HE1       LYS  37  -9.782   3.520 -10.152
  229   1HZ   LYS  37          HZ1       LYS  37  -7.454   3.857 -11.934
  230   2HZ   LYS  37          HZ2       LYS  37  -7.838   5.039 -10.776
  231   3HZ   LYS  37          HZ3       LYS  37  -8.958   4.638 -11.990
  232    H    PHE  38           H        PHE  38  -5.681   2.111  -6.296
  233    HA   PHE  38           HA       PHE  38  -3.533   2.564  -4.429
  234   1HB   PHE  38          HB2       PHE  38  -4.012   0.481  -6.570
  235   2HB   PHE  38          HB1       PHE  38  -2.567   0.480  -5.566
  236    HD1  PHE  38           HD2      PHE  38  -4.871   1.861  -3.432
  237    HD2  PHE  38           HD1      PHE  38  -4.037  -1.892  -5.354
  238    HE1  PHE  38           HE2      PHE  38  -6.107   0.668  -1.649
  239    HE2  PHE  38           HE1      PHE  38  -5.276  -3.080  -3.569
  240    HZ   PHE  38           HZ       PHE  38  -6.312  -1.801  -1.715
  241    H    SER  39           H        SER  39  -1.570   3.493  -4.780
  242    HA   SER  39           HA       SER  39  -1.046   4.862  -7.267
  243   1HB   SER  39          HB2       SER  39   0.880   4.256  -5.001
  244   2HB   SER  39          HB1       SER  39   1.075   5.498  -6.235
  245    HG   SER  39           HG       SER  39  -1.021   5.326  -4.322
  246    H    ARG  40           H        ARG  40   1.966   3.805  -6.775
  247    HA   ARG  40           HA       ARG  40   1.598   1.375  -8.475
  248   1HB   ARG  40          HB2       ARG  40   3.943   3.264  -8.714
  249   2HB   ARG  40          HB1       ARG  40   3.414   2.029  -9.857
  250   1HG   ARG  40          HG2       ARG  40   1.184   3.449  -9.879
  251   2HG   ARG  40          HG1       ARG  40   2.253   4.741  -9.328
  252   1HD   ARG  40          HD2       ARG  40   2.846   3.037 -11.758
  253   2HD   ARG  40          HD1       ARG  40   1.986   4.574 -11.847
  254    HE   ARG  40           HE       ARG  40   4.092   5.562 -10.753
  255   1HH1  ARG  40          1HH1      ARG  40   4.641   2.348 -11.448
  256   2HH1  ARG  40          2HH1      ARG  40   6.045   2.606 -12.430
  257   1HH2  ARG  40          1HH2      ARG  40   5.662   6.052 -12.530
  258   2HH2  ARG  40          2HH2      ARG  40   6.622   4.705 -13.045
  259    H    ALA  41           H        ALA  41   3.457  -0.151  -8.321
  260    HA   ALA  41           HA       ALA  41   4.226  -0.570  -5.568
  261   1HB   ALA  41          HB1       ALA  41   5.618  -1.912  -7.871
  262   2HB   ALA  41          HB2       ALA  41   3.933  -2.301  -7.525
  263   3HB   ALA  41          HB3       ALA  41   5.172  -2.581  -6.302
  264    H    GLY  42           H        GLY  42   6.489  -0.647  -4.810
  265   1HA   GLY  42          HA2       GLY  42   8.675   0.217  -4.650
  266   2HA   GLY  42          HA1       GLY  42   8.579   0.636  -6.362
  267    H    LYS  43           H        LYS  43   6.086   1.706  -4.170
  268    HA   LYS  43           HA       LYS  43   6.898   4.510  -4.702
  269   1HB   LYS  43          HB2       LYS  43   4.594   4.313  -5.046
  270   2HB   LYS  43          HB1       LYS  43   4.392   3.171  -3.725
  271   1HG   LYS  43          HG2       LYS  43   3.437   5.308  -3.055
  272   2HG   LYS  43          HG1       LYS  43   4.896   5.028  -2.112
  273   1HD   LYS  43          HD2       LYS  43   5.315   7.189  -2.797
  274   2HD   LYS  43          HD1       LYS  43   6.023   6.318  -4.158
  275   1HE   LYS  43          HE2       LYS  43   3.770   6.475  -5.305
  276   2HE   LYS  43          HE1       LYS  43   3.270   7.568  -4.014
  277   1HZ   LYS  43          HZ1       LYS  43   4.145   8.708  -6.009
  278   2HZ   LYS  43          HZ2       LYS  43   5.658   7.992  -5.724
  279   3HZ   LYS  43          HZ3       LYS  43   5.004   9.078  -4.593
  280    H    ILE  44           H        ILE  44   8.174   5.520  -3.241
  281    HA   ILE  44           HA       ILE  44   8.869   4.393  -0.713
  282    HB   ILE  44           HB       ILE  44  10.389   5.937  -1.742
  283   1HG1  ILE  44          2HG1      ILE  44  10.582   7.714   0.057
  284   2HG1  ILE  44          1HG1      ILE  44   9.058   7.118   0.715
  285   1HG2  ILE  44          1HG2      ILE  44   7.941   7.648  -1.891
  286   2HG2  ILE  44          2HG2      ILE  44   9.187   7.365  -3.106
  287   3HG2  ILE  44          3HG2      ILE  44   9.507   8.447  -1.751
  288   1HD1  ILE  44          1HD1      ILE  44   9.997   4.945   1.139
  289   2HD1  ILE  44          2HD1      ILE  44  11.128   6.132   1.788
  290   3HD1  ILE  44          3HD1      ILE  44  11.466   5.343   0.247
  291    H    CYS  45           H        CYS  45   6.894   3.951   0.377
  292    HA   CYS  45           HA       CYS  45   5.022   6.111   1.036
  293   1HB   CYS  45          HB2       CYS  45   4.073   4.351   2.596
  294   2HB   CYS  45          HB1       CYS  45   4.081   3.914   0.890
  295    H    ARG  46           H        ARG  46   7.792   4.536   2.457
  296    HA   ARG  46           HA       ARG  46   7.714   6.540   4.669
  297   1HB   ARG  46          HB2       ARG  46   6.982   3.999   5.178
  298   2HB   ARG  46          HB1       ARG  46   8.731   3.818   5.330
  299   1HG   ARG  46          HG2       ARG  46   8.854   5.184   7.180
  300   2HG   ARG  46          HG1       ARG  46   7.483   6.172   6.672
  301   1HD   ARG  46          HD2       ARG  46   6.173   3.872   7.068
  302   2HD   ARG  46          HD1       ARG  46   7.511   3.599   8.184
  303    HE   ARG  46           HE       ARG  46   6.328   6.227   8.532
  304   1HH1  ARG  46          1HH2      ARG  46   7.369   4.357  10.695
  305   2HH1  ARG  46          2HH2      ARG  46   5.899   3.936  11.511
  306   1HH2  ARG  46          1HH1      ARG  46   3.845   5.038   8.946
  307   2HH2  ARG  46          2HH1      ARG  46   3.907   4.319  10.521
  308    H    ILE  47           H        ILE  47   9.729   7.393   5.152
  309    HA   ILE  47           HA       ILE  47  12.038   6.253   3.625
  310    HB   ILE  47           HB       ILE  47  11.193   8.582   2.985
  311   1HG1  ILE  47          2HG1      ILE  47  13.742   9.463   3.457
  312   2HG1  ILE  47          1HG1      ILE  47  13.944   7.721   3.645
  313   1HG2  ILE  47          1HG2      ILE  47  12.513   9.312   5.616
  314   2HG2  ILE  47          2HG2      ILE  47  10.768   9.276   5.363
  315   3HG2  ILE  47          3HG2      ILE  47  11.766  10.419   4.465
  316   1HD1  ILE  47          1HD1      ILE  47  12.890   7.352   1.450
  317   2HD1  ILE  47          2HD1      ILE  47  14.293   8.410   1.297
  318   3HD1  ILE  47          3HD1      ILE  47  12.667   9.091   1.260
  319    H    ALA  48           H        ALA  48  13.809   5.656   4.817
  320    HA   ALA  48           HA       ALA  48  13.884   6.520   7.681
  321   1HB   ALA  48          HB1       ALA  48  13.784   3.852   6.541
  322   2HB   ALA  48          HB2       ALA  48  13.668   4.343   8.231
  323   3HB   ALA  48          HB3       ALA  48  15.249   4.072   7.498
  324    H    ARG  49           H        ARG  49  15.840   7.333   8.355
  325    HA   ARG  49           HA       ARG  49  18.103   7.158   6.406
  326   1HB   ARG  49          HB2       ARG  49  18.876   9.300   7.567
  327   2HB   ARG  49          HB1       ARG  49  17.424   9.447   6.576
  328   1HG   ARG  49          HG2       ARG  49  16.938   8.673   9.388
  329   2HG   ARG  49          HG1       ARG  49  17.589  10.297   9.166
  330   1HD   ARG  49          HD2       ARG  49  15.784  10.910   7.703
  331   2HD   ARG  49          HD1       ARG  49  15.215   9.243   7.611
  332    HE   ARG  49           HE       ARG  49  13.963   9.746   9.532
  333   1HH1  ARG  49          1HH2      ARG  49  15.192  12.640   9.205
  334   2HH1  ARG  49          2HH2      ARG  49  15.683  12.916  10.844
  335   1HH2  ARG  49          1HH1      ARG  49  15.340   9.596  11.785
  336   2HH2  ARG  49          2HH1      ARG  49  15.763  11.193  12.305
  337    H    GLY  50           H        GLY  50  19.053   5.283   7.326
  338   1HA   GLY  50          HA2       GLY  50  20.828   5.722   9.531
  339   2HA   GLY  50          HA1       GLY  50  19.442   4.779  10.081
  340    H    ASP  51           H        ASP  51  20.529   2.810  10.356
  341    HA   ASP  51           HA       ASP  51  22.230   1.728   8.233
  342   1HB   ASP  51          HB2       ASP  51  22.189   1.315  10.898
  343   2HB   ASP  51          HB1       ASP  51  21.189  -0.045  10.385
  344    H    MET  52           H        MET  52  19.011   2.145   8.335
  345    HA   MET  52           HA       MET  52  18.464  -0.458   6.962
  346   1HB   MET  52          HB2       MET  52  16.575   1.326   8.530
  347   2HB   MET  52          HB1       MET  52  16.084  -0.109   7.628
  348   1HG   MET  52          HG2       MET  52  18.337  -0.524   9.496
  349   2HG   MET  52          HG1       MET  52  16.795  -0.141  10.263
  350   1HE   MET  52          HE1       MET  52  16.391  -3.747  10.892
  351   2HE   MET  52          HE2       MET  52  15.459  -2.270  11.123
  352   3HE   MET  52          HE3       MET  52  17.197  -2.261  11.415
  353    HA   PRO  53           HA       PRO  53  17.471   1.918   3.402
  354   1HB   PRO  53          HB2       PRO  53  15.814   0.113   2.154
  355   2HB   PRO  53          HB1       PRO  53  17.576  -0.062   2.224
  356   1HG   PRO  53          HG2       PRO  53  15.481  -1.547   3.740
  357   2HG   PRO  53          HG1       PRO  53  17.119  -2.055   3.298
  358   1HD   PRO  53          HD2       PRO  53  16.295  -1.131   5.848
  359   2HD   PRO  53          HD1       PRO  53  17.974  -1.339   5.301
  360    H    ASP  54           H        ASP  54  15.330   2.448   2.040
  361    HA   ASP  54           HA       ASP  54  13.403   3.526   3.984
  362   1HB   ASP  54          HB2       ASP  54  13.185   3.747   0.981
  363   2HB   ASP  54          HB1       ASP  54  12.590   4.863   2.210
  364    H    ASP  55           H        ASP  55  10.992   3.436   2.809
  365    HA   ASP  55           HA       ASP  55  10.459   0.513   2.433
  366   1HB   ASP  55          HB2       ASP  55   9.411   2.371   4.355
  367   2HB   ASP  55          HB1       ASP  55   8.100   1.864   3.287
  368    H    ARG  56           H        ARG  56   9.081  -0.040   0.711
  369    HA   ARG  56           HA       ARG  56   7.996   2.243  -0.871
  370   1HB   ARG  56          HB2       ARG  56   9.935   0.178  -1.680
  371   2HB   ARG  56          HB1       ARG  56   8.596   0.403  -2.805
  372   1HG   ARG  56          HG2       ARG  56   9.046   2.830  -2.861
  373   2HG   ARG  56          HG1       ARG  56  10.388   2.606  -1.738
  374   1HD   ARG  56          HD2       ARG  56  10.198   1.264  -4.449
  375   2HD   ARG  56          HD1       ARG  56  11.118   2.735  -4.133
  376    HE   ARG  56           HE       ARG  56  11.804   0.487  -2.380
  377   1HH1  ARG  56          1HH1      ARG  56  13.509   2.844  -3.469
  378   2HH1  ARG  56          2HH1      ARG  56  14.623   1.976  -4.472
  379   1HH2  ARG  56          1HH2      ARG  56  12.746  -0.941  -4.482
  380   2HH2  ARG  56          2HH2      ARG  56  14.193  -0.169  -5.043
  381    H    CYS  57           H        CYS  57   5.883   1.965  -1.477
  382    HA   CYS  57           HA       CYS  57   4.332  -0.238  -0.515
  383   1HB   CYS  57          HB2       CYS  57   3.788   1.858  -2.620
  384   2HB   CYS  57          HB1       CYS  57   2.610   0.614  -2.221
  385    H    THR  58           H        THR  58   3.151  -1.818  -1.864
  386    HA   THR  58           HA       THR  58   4.932  -2.945  -3.937
  387    HB   THR  58           HB       THR  58   3.681  -4.982  -3.673
  388    HG1  THR  58           HG1      THR  58   1.928  -3.811  -1.847
  389   1HG2  THR  58          1HG2      THR  58   4.595  -3.490  -1.297
  390   2HG2  THR  58          2HG2      THR  58   5.016  -5.116  -1.838
  391   3HG2  THR  58          3HG2      THR  58   3.520  -4.844  -0.945
  392    H    GLY  59           H        GLY  59   2.475  -0.765  -3.931
  393   1HA   GLY  59          HA2       GLY  59   1.476   0.125  -5.927
  394   2HA   GLY  59          HA1       GLY  59   1.824  -1.397  -6.749
  395    H    GLN  60           H        GLN  60   0.714  -3.120  -4.727
  396    HA   GLN  60           HA       GLN  60  -2.166  -2.639  -5.279
  397   1HB   GLN  60          HB2       GLN  60  -0.734  -5.105  -4.240
  398   2HB   GLN  60          HB1       GLN  60  -2.452  -5.009  -4.629
  399   1HG   GLN  60          HG2       GLN  60  -1.733  -4.272  -6.971
  400   2HG   GLN  60          HG1       GLN  60  -0.106  -4.780  -6.521
  401   1HE2  GLN  60          1HE2      GLN  60  -3.286  -6.290  -5.746
  402   2HE2  GLN  60          2HE2      GLN  60  -2.909  -7.791  -6.441
  403    H    SER  61           H        SER  61   0.035  -2.018  -2.860
  404    HA   SER  61           HA       SER  61  -1.954  -2.492  -0.685
  405   1HB   SER  61          HB2       SER  61   0.972  -1.723  -0.483
  406   2HB   SER  61          HB1       SER  61  -0.086  -2.153   0.858
  407    HG   SER  61           HG       SER  61  -0.397  -4.151  -0.597
  408    H    ALA  62           H        ALA  62  -3.241  -0.764  -0.277
  409    HA   ALA  62           HA       ALA  62  -2.656   1.910  -1.172
  410   1HB   ALA  62          HB1       ALA  62  -4.512   2.237   0.837
  411   2HB   ALA  62          HB2       ALA  62  -4.783   0.561   0.357
  412   3HB   ALA  62          HB3       ALA  62  -4.905   1.851  -0.839
  413    H    ASP  63           H        ASP  63  -2.670   0.466   2.107
  414    HA   ASP  63           HA       ASP  63  -1.410   2.849   3.240
  415   1HB   ASP  63          HB2       ASP  63  -1.721   0.110   4.503
  416   2HB   ASP  63          HB1       ASP  63  -1.447   1.642   5.334
  417    H    CYS  64           H        CYS  64   0.583   1.995   4.851
  418    HA   CYS  64           HA       CYS  64   2.480   0.557   3.053
  419   1HB   CYS  64          HB2       CYS  64   2.999   2.898   2.836
  420   2HB   CYS  64          HB1       CYS  64   2.968   3.125   4.582
  421    HA   PRO  65           HA       PRO  65   2.952  -1.690   6.837
  422   1HB   PRO  65          HB2       PRO  65   4.392  -3.695   5.653
  423   2HB   PRO  65          HB1       PRO  65   2.630  -3.609   5.601
  424   1HG   PRO  65          HG2       PRO  65   4.618  -3.086   3.456
  425   2HG   PRO  65          HG1       PRO  65   2.912  -3.541   3.315
  426   1HD   PRO  65          HD2       PRO  65   3.993  -0.940   2.973
  427   2HD   PRO  65          HD1       PRO  65   2.272  -1.362   3.093
  428    H    ARG  66           H        ARG  66   5.323  -3.193   7.217
  429    HA   ARG  66           HA       ARG  66   7.276  -0.992   7.590
  430   1HB   ARG  66          HB2       ARG  66   7.629  -3.810   8.596
  431   2HB   ARG  66          HB1       ARG  66   8.257  -2.308   9.275
  432   1HG   ARG  66          HG2       ARG  66   5.985  -1.623   9.910
  433   2HG   ARG  66          HG1       ARG  66   5.330  -3.097   9.195
  434   1HD   ARG  66          HD2       ARG  66   5.723  -4.209  11.108
  435   2HD   ARG  66          HD1       ARG  66   7.441  -3.836  10.977
  436    HE   ARG  66           HE       ARG  66   6.346  -1.507  11.991
  437   1HH1  ARG  66          1HH2      ARG  66   4.723  -4.195  12.896
  438   2HH1  ARG  66          2HH2      ARG  66   5.220  -4.204  14.554
  439   1HH2  ARG  66          1HH1      ARG  66   7.664  -1.783  14.110
  440   2HH2  ARG  66          2HH1      ARG  66   6.887  -2.839  15.242
  441    H    TYR  67           H        TYR  67   9.681  -2.141   7.520
  442    HA   TYR  67           HA       TYR  67  10.121  -2.632   4.691
  443   1HB   TYR  67          HB2       TYR  67  11.873  -1.466   5.765
  444   2HB   TYR  67          HB1       TYR  67  11.887  -2.572   7.138
  445    HD1  TYR  67           HD1      TYR  67  11.746  -3.508   3.537
  446    HD2  TYR  67           HD2      TYR  67  14.148  -3.322   7.094
  447    HE1  TYR  67           HE1      TYR  67  13.495  -4.871   2.428
  448    HE2  TYR  67           HE2      TYR  67  15.897  -4.685   5.985
  449    HH   TYR  67           HH       TYR  67  16.270  -5.055   2.921
  450    H    HIS  68           H        HIS  68   8.850  -4.580   4.365
  451    HA   HIS  68           HA       HIS  68   9.681  -7.020   5.798
  452   1HB   HIS  68          HB2       HIS  68   7.270  -6.382   4.999
  453   2HB   HIS  68          HB1       HIS  68   7.821  -6.975   3.433
  454    HD1  HIS  68           HD1      HIS  68   5.966  -8.211   6.077
  455    HD2  HIS  68           HD2      HIS  68   9.362  -9.683   4.160
  456    HE1  HIS  68           HE1      HIS  68   6.043 -10.695   6.562
  Start of MODEL   16
    1   1H    GLY   1          HT1       GLY   1  -8.458 -10.274   7.657
    2   2H    GLY   1          HT2       GLY   1  -7.767 -10.156   9.204
    3   3H    GLY   1          HT3       GLY   1  -7.364  -9.025   8.002
    4   1HA   GLY   1          HA1       GLY   1 -10.145  -9.349   8.948
    5   2HA   GLY   1          HA2       GLY   1  -9.007  -8.282   9.770
    6    H    LYS   2           H        LYS   2  -9.624  -9.013   6.318
    7    HA   LYS   2           HA       LYS   2  -9.321  -6.171   5.661
    8   1HB   LYS   2          HB2       LYS   2  -9.451  -8.721   4.198
    9   2HB   LYS   2          HB1       LYS   2 -10.271  -7.390   3.380
   10   1HG   LYS   2          HG2       LYS   2  -8.295  -6.050   3.369
   11   2HG   LYS   2          HG1       LYS   2  -7.477  -7.124   4.504
   12   1HD   LYS   2          HD2       LYS   2  -6.569  -8.089   2.667
   13   2HD   LYS   2          HD1       LYS   2  -8.151  -8.839   2.451
   14   1HE   LYS   2          HE2       LYS   2  -7.997  -6.084   1.428
   15   2HE   LYS   2          HE1       LYS   2  -6.923  -7.212   0.601
   16   1HZ   LYS   2          HZ1       LYS   2  -9.780  -7.801   1.108
   17   2HZ   LYS   2          HZ2       LYS   2  -8.716  -8.611   0.061
   18   3HZ   LYS   2          HZ3       LYS   2  -9.242  -7.037  -0.308
   19    H    GLU   3           H        GLU   3 -11.347  -6.101   7.352
   20    HA   GLU   3           HA       GLU   3 -13.890  -6.356   5.838
   21   1HB   GLU   3          HB2       GLU   3 -13.361  -5.666   8.747
   22   2HB   GLU   3          HB1       GLU   3 -14.958  -5.860   8.025
   23   1HG   GLU   3          HG2       GLU   3 -14.840  -8.084   8.328
   24   2HG   GLU   3          HG1       GLU   3 -13.380  -8.150   7.341
   25    H    CYS   4           H        CYS   4 -11.516  -4.052   6.379
   26    HA   CYS   4           HA       CYS   4 -13.450  -1.888   5.715
   27   1HB   CYS   4          HB2       CYS   4 -12.688  -1.910   8.182
   28   2HB   CYS   4          HB1       CYS   4 -11.129  -1.445   7.569
   29    H    ASP   5           H        ASP   5 -12.729  -0.540   4.108
   30    HA   ASP   5           HA       ASP   5 -10.032  -1.137   2.993
   31   1HB   ASP   5          HB2       ASP   5 -12.364  -1.278   1.691
   32   2HB   ASP   5          HB1       ASP   5 -12.064   0.444   1.477
   33    H    CYS   6           H        CYS   6 -11.946   1.309   4.509
   34    HA   CYS   6           HA       CYS   6  -9.750   3.274   3.979
   35   1HB   CYS   6          HB2       CYS   6 -11.403   5.075   4.107
   36   2HB   CYS   6          HB1       CYS   6 -11.875   3.924   2.858
   37    H    SER   7           H        SER   7  -8.619   3.567   5.826
   38    HA   SER   7           HA       SER   7  -9.467   2.695   8.396
   39   1HB   SER   7          HB2       SER   7  -7.308   4.550   7.430
   40   2HB   SER   7          HB1       SER   7  -7.613   4.382   9.156
   41    HG   SER   7           HG       SER   7  -7.094   2.261   9.045
   42    H    SER   8           H        SER   8 -10.330   5.505   6.622
   43    HA   SER   8           HA       SER   8 -11.188   6.907   9.100
   44   1HB   SER   8          HB2       SER   8 -11.037   7.830   6.219
   45   2HB   SER   8          HB1       SER   8 -11.653   8.817   7.542
   46    HG   SER   8           HG       SER   8  -9.445   8.031   8.482
   47    HA   PRO   9           HA       PRO   9 -15.268   5.348   8.177
   48   1HB   PRO   9          HB2       PRO   9 -16.469   6.461  10.384
   49   2HB   PRO   9          HB1       PRO   9 -15.505   4.975  10.440
   50   1HG   PRO   9          HG2       PRO   9 -14.789   7.712  11.379
   51   2HG   PRO   9          HG1       PRO   9 -14.187   6.142  11.936
   52   1HD   PRO   9          HD2       PRO   9 -12.830   7.921  10.198
   53   2HD   PRO   9          HD1       PRO   9 -12.394   6.228  10.513
   54    H    GLU  10           H        GLU  10 -14.155   8.509   8.008
   55    HA   GLU  10           HA       GLU  10 -16.850   9.500   7.164
   56   1HB   GLU  10          HB2       GLU  10 -16.105  11.754   7.779
   57   2HB   GLU  10          HB1       GLU  10 -15.961  10.672   9.165
   58   1HG   GLU  10          HG2       GLU  10 -13.552  10.664   7.516
   59   2HG   GLU  10          HG1       GLU  10 -13.933  12.275   8.125
   60    H    ASN  11           H        ASN  11 -14.840   8.073   5.529
   61    HA   ASN  11           HA       ASN  11 -13.788  10.217   3.777
   62   1HB   ASN  11          HB2       ASN  11 -12.541   8.018   4.487
   63   2HB   ASN  11          HB1       ASN  11 -13.500   7.280   3.204
   64   1HD2  ASN  11          1HD2      ASN  11 -10.650   9.080   3.830
   65   2HD2  ASN  11          2HD2      ASN  11 -10.290   9.506   2.227
   66    HA   PRO  12           HA       PRO  12 -17.316   9.726   1.133
   67   1HB   PRO  12          HB2       PRO  12 -16.412  11.373  -0.872
   68   2HB   PRO  12          HB1       PRO  12 -17.092  11.967   0.653
   69   1HG   PRO  12          HG2       PRO  12 -14.247  11.909  -0.238
   70   2HG   PRO  12          HG1       PRO  12 -15.039  12.995   0.916
   71   1HD   PRO  12          HD2       PRO  12 -13.398  10.781   1.574
   72   2HD   PRO  12          HD1       PRO  12 -14.447  11.675   2.694
   73    H    CYS  13           H        CYS  13 -14.381   8.290   0.694
   74    HA   CYS  13           HA       CYS  13 -14.999   7.414  -2.092
   75   1HB   CYS  13          HB2       CYS  13 -12.641   8.358  -1.159
   76   2HB   CYS  13          HB1       CYS  13 -12.427   6.640  -0.816
   77    H    CYS  14           H        CYS  14 -15.455   6.445   1.059
   78    HA   CYS  14           HA       CYS  14 -15.607   3.615   0.169
   79   1HB   CYS  14          HB2       CYS  14 -14.528   2.790   2.126
   80   2HB   CYS  14          HB1       CYS  14 -13.507   4.107   1.553
   81    H    ASP  15           H        ASP  15 -16.871   2.273   1.734
   82    HA   ASP  15           HA       ASP  15 -19.254   3.831   2.609
   83   1HB   ASP  15          HB2       ASP  15 -19.196   1.762   0.914
   84   2HB   ASP  15          HB1       ASP  15 -19.259   0.854   2.419
   85    H    ALA  16           H        ALA  16 -19.177   4.258   4.763
   86    HA   ALA  16           HA       ALA  16 -17.595   2.748   6.639
   87   1HB   ALA  16          HB1       ALA  16 -18.840   5.206   6.675
   88   2HB   ALA  16          HB2       ALA  16 -18.132   4.417   8.085
   89   3HB   ALA  16          HB3       ALA  16 -19.859   4.260   7.761
   90    H    ALA  17           H        ALA  17 -20.919   2.553   5.523
   91    HA   ALA  17           HA       ALA  17 -22.123   1.039   7.552
   92   1HB   ALA  17          HB1       ALA  17 -23.402   1.714   5.603
   93   2HB   ALA  17          HB2       ALA  17 -23.436  -0.048   5.689
   94   3HB   ALA  17          HB3       ALA  17 -22.368   0.759   4.540
   95    H    THR  18           H        THR  18 -19.737   0.101   5.160
   96    HA   THR  18           HA       THR  18 -19.570  -2.576   6.482
   97    HB   THR  18           HB       THR  18 -20.209  -3.275   4.384
   98    HG1  THR  18           HG1      THR  18 -18.446  -4.102   3.582
   99   1HG2  THR  18          1HG2      THR  18 -20.505  -0.898   3.605
  100   2HG2  THR  18          2HG2      THR  18 -19.946  -2.001   2.348
  101   3HG2  THR  18          3HG2      THR  18 -18.806  -0.903   3.127
  102    H    CYS  19           H        CYS  19 -18.016   0.356   5.838
  103    HA   CYS  19           HA       CYS  19 -15.821   1.028   6.443
  104   1HB   CYS  19          HB2       CYS  19 -16.234  -1.190   7.971
  105   2HB   CYS  19          HB1       CYS  19 -14.823  -1.657   7.034
  106    H    LYS  20           H        LYS  20 -16.701  -0.922   3.941
  107    HA   LYS  20           HA       LYS  20 -13.922  -1.214   2.905
  108   1HB   LYS  20          HB2       LYS  20 -16.544  -2.176   1.738
  109   2HB   LYS  20          HB1       LYS  20 -14.934  -2.529   1.103
  110   1HG   LYS  20          HG2       LYS  20 -14.392  -3.517   3.387
  111   2HG   LYS  20          HG1       LYS  20 -16.115  -3.404   3.746
  112   1HD   LYS  20          HD2       LYS  20 -16.034  -5.551   2.882
  113   2HD   LYS  20          HD1       LYS  20 -16.332  -4.639   1.401
  114   1HE   LYS  20          HE2       LYS  20 -14.509  -6.140   0.940
  115   2HE   LYS  20          HE1       LYS  20 -13.818  -4.525   1.089
  116   1HZ   LYS  20          HZ1       LYS  20 -13.975  -6.428   3.353
  117   2HZ   LYS  20          HZ2       LYS  20 -13.083  -4.985   3.267
  118   3HZ   LYS  20          HZ3       LYS  20 -12.629  -6.326   2.328
  119    H    LEU  21           H        LEU  21 -13.832  -0.745   0.415
  120    HA   LEU  21           HA       LEU  21 -14.568   2.083   0.142
  121   1HB   LEU  21          HB2       LEU  21 -12.544   0.376  -0.936
  122   2HB   LEU  21          HB1       LEU  21 -13.431   1.151  -2.249
  123    HG   LEU  21           HG       LEU  21 -13.164   3.330  -0.921
  124   1HD1  LEU  21          1HD1      LEU  21 -11.250   3.415   0.610
  125   2HD1  LEU  21          2HD1      LEU  21 -10.982   1.685   0.394
  126   3HD1  LEU  21          3HD1      LEU  21 -12.442   2.258   1.200
  127   1HD2  LEU  21          1HD2      LEU  21 -11.861   2.421  -2.981
  128   2HD2  LEU  21          2HD2      LEU  21 -10.547   2.185  -1.832
  129   3HD2  LEU  21          3HD2      LEU  21 -11.202   3.800  -2.103
  130    H    ARG  22           H        ARG  22 -14.840   2.449  -2.444
  131    HA   ARG  22           HA       ARG  22 -17.360   1.023  -3.105
  132   1HB   ARG  22          HB2       ARG  22 -16.508   3.761  -3.324
  133   2HB   ARG  22          HB1       ARG  22 -16.819   3.134  -4.944
  134   1HG   ARG  22          HG2       ARG  22 -19.041   3.191  -4.593
  135   2HG   ARG  22          HG1       ARG  22 -18.871   2.219  -3.131
  136   1HD   ARG  22          HD2       ARG  22 -19.399   4.044  -1.927
  137   2HD   ARG  22          HD1       ARG  22 -17.888   4.777  -2.465
  138    HE   ARG  22           HE       ARG  22 -19.176   5.743  -4.379
  139   1HH1  ARG  22          1HH1      ARG  22 -20.232   6.886  -1.788
  140   2HH1  ARG  22          2HH1      ARG  22 -21.943   6.723  -2.007
  141   1HH2  ARG  22          1HH2      ARG  22 -21.659   4.472  -4.628
  142   2HH2  ARG  22          2HH2      ARG  22 -22.751   5.360  -3.619
  143    HA   PRO  23           HA       PRO  23 -15.340  -1.248  -6.263
  144   1HB   PRO  23          HB2       PRO  23 -17.423  -1.347  -8.084
  145   2HB   PRO  23          HB1       PRO  23 -17.320  -2.358  -6.631
  146   1HG   PRO  23          HG2       PRO  23 -18.944   0.137  -7.081
  147   2HG   PRO  23          HG1       PRO  23 -19.354  -1.313  -6.143
  148   1HD   PRO  23          HD2       PRO  23 -18.467   1.025  -4.948
  149   2HD   PRO  23          HD1       PRO  23 -18.202  -0.586  -4.259
  150    H    GLY  24           H        GLY  24 -16.253   1.993  -6.628
  151   1HA   GLY  24          HA2       GLY  24 -15.309   2.205  -9.424
  152   2HA   GLY  24          HA1       GLY  24 -15.938   3.532  -8.444
  153    H    ALA  25           H        ALA  25 -14.246   2.778  -6.136
  154    HA   ALA  25           HA       ALA  25 -11.629   3.782  -7.169
  155   1HB   ALA  25          HB1       ALA  25 -13.272   4.414  -4.776
  156   2HB   ALA  25          HB2       ALA  25 -12.175   5.448  -5.692
  157   3HB   ALA  25          HB3       ALA  25 -11.532   4.308  -4.510
  158    H    GLN  26           H        GLN  26  -9.735   3.041  -5.730
  159    HA   GLN  26           HA       GLN  26 -10.198   0.195  -4.933
  160   1HB   GLN  26          HB2       GLN  26  -8.283   1.387  -6.701
  161   2HB   GLN  26          HB1       GLN  26  -7.423   0.708  -5.318
  162   1HG   GLN  26          HG2       GLN  26  -7.576  -1.211  -6.567
  163   2HG   GLN  26          HG1       GLN  26  -9.149  -1.307  -5.776
  164   1HE2  GLN  26          1HE2      GLN  26  -7.764  -1.568  -8.778
  165   2HE2  GLN  26          2HE2      GLN  26  -9.078  -1.090  -9.741
  166    H    CYS  27           H        CYS  27  -9.127   3.308  -3.877
  167    HA   CYS  27           HA       CYS  27  -8.639   2.190  -1.179
  168   1HB   CYS  27          HB2       CYS  27  -6.526   3.540  -0.975
  169   2HB   CYS  27          HB1       CYS  27  -6.400   2.195  -2.107
  170    H    GLY  28           H        GLY  28  -9.297   3.605   0.416
  171   1HA   GLY  28          HA2       GLY  28 -10.529   6.124  -0.512
  172   2HA   GLY  28          HA1       GLY  28 -10.799   5.368   1.055
  173    H    GLU  29           H        GLU  29  -8.133   4.906   1.757
  174    HA   GLU  29           HA       GLU  29  -6.773   7.518   1.635
  175   1HB   GLU  29          HB2       GLU  29  -6.726   7.794   4.019
  176   2HB   GLU  29          HB1       GLU  29  -8.404   7.585   3.550
  177   1HG   GLU  29          HG2       GLU  29  -8.417   6.009   5.192
  178   2HG   GLU  29          HG1       GLU  29  -7.670   4.995   3.956
  179    H    GLY  30           H        GLY  30  -4.853   7.022   3.607
  180   1HA   GLY  30          HA2       GLY  30  -3.472   4.966   4.255
  181   2HA   GLY  30          HA1       GLY  30  -3.578   4.530   2.551
  182    H    LEU  31           H        LEU  31  -1.160   4.602   2.729
  183    HA   LEU  31           HA       LEU  31  -0.054   7.365   2.779
  184   1HB   LEU  31          HB2       LEU  31   0.899   4.830   3.685
  185   2HB   LEU  31          HB1       LEU  31   1.969   5.373   2.394
  186    HG   LEU  31           HG       LEU  31   2.602   6.168   4.721
  187   1HD1  LEU  31          1HD1      LEU  31   3.269   8.332   3.942
  188   2HD1  LEU  31          2HD1      LEU  31   1.916   8.416   2.815
  189   3HD1  LEU  31          3HD1      LEU  31   3.238   7.287   2.521
  190   1HD2  LEU  31          1HD2      LEU  31   0.025   6.638   5.134
  191   2HD2  LEU  31          2HD2      LEU  31   0.420   8.206   4.430
  192   3HD2  LEU  31          3HD2      LEU  31   1.250   7.660   5.888
  193    H    CYS  32           H        CYS  32  -0.801   4.746   0.628
  194    HA   CYS  32           HA       CYS  32   0.522   6.276  -1.575
  195   1HB   CYS  32          HB2       CYS  32   0.209   3.279  -1.629
  196   2HB   CYS  32          HB1       CYS  32   1.300   4.290  -2.579
  197    H    CYS  33           H        CYS  33  -2.066   6.889  -1.060
  198    HA   CYS  33           HA       CYS  33  -3.565   5.363  -3.155
  199   1HB   CYS  33          HB2       CYS  33  -4.602   5.008  -0.973
  200   2HB   CYS  33          HB1       CYS  33  -4.650   6.745  -0.680
  201    H    GLU  34           H        GLU  34  -3.424   6.646  -4.945
  202    HA   GLU  34           HA       GLU  34  -3.836   9.585  -4.593
  203   1HB   GLU  34          HB2       GLU  34  -2.498   8.011  -6.813
  204   2HB   GLU  34          HB1       GLU  34  -2.771   9.752  -6.862
  205   1HG   GLU  34          HG2       GLU  34  -1.550   9.768  -4.556
  206   2HG   GLU  34          HG1       GLU  34  -0.956   8.181  -5.046
  207    H    GLN  35           H        GLN  35  -5.755  10.380  -5.318
  208    HA   GLN  35           HA       GLN  35  -7.808  10.492  -6.453
  209   1HB   GLN  35          HB2       GLN  35  -6.413   8.676  -8.446
  210   2HB   GLN  35          HB1       GLN  35  -7.853   9.649  -8.748
  211   1HG   GLN  35          HG2       GLN  35  -6.156  11.558  -7.809
  212   2HG   GLN  35          HG1       GLN  35  -5.013  10.474  -8.604
  213   1HE2  GLN  35          1HE2      GLN  35  -5.287  12.932  -9.803
  214   2HE2  GLN  35          2HE2      GLN  35  -6.208  12.816 -11.224
  215    H    CYS  36           H        CYS  36  -7.309   8.432  -4.451
  216    HA   CYS  36           HA       CYS  36  -8.389   6.550  -3.578
  217   1HB   CYS  36          HB2       CYS  36 -10.297   7.363  -5.770
  218   2HB   CYS  36          HB1       CYS  36 -10.563   5.902  -4.821
  219    H    LYS  37           H        LYS  37  -6.568   6.536  -6.160
  220    HA   LYS  37           HA       LYS  37  -7.257   3.769  -7.038
  221   1HB   LYS  37          HB2       LYS  37  -6.007   6.111  -8.342
  222   2HB   LYS  37          HB1       LYS  37  -5.228   4.566  -8.688
  223   1HG   LYS  37          HG2       LYS  37  -7.088   5.176 -10.287
  224   2HG   LYS  37          HG1       LYS  37  -7.296   3.618  -9.487
  225   1HD   LYS  37          HD2       LYS  37  -8.819   4.615  -7.859
  226   2HD   LYS  37          HD1       LYS  37  -8.559   6.214  -8.558
  227   1HE   LYS  37          HE2       LYS  37 -10.559   5.538  -9.579
  228   2HE   LYS  37          HE1       LYS  37  -9.348   5.097 -10.784
  229   1HZ   LYS  37          HZ1       LYS  37  -9.604   2.899 -10.377
  230   2HZ   LYS  37          HZ2       LYS  37 -11.162   3.401  -9.922
  231   3HZ   LYS  37          HZ3       LYS  37  -9.978   3.116  -8.737
  232    H    PHE  38           H        PHE  38  -5.703   2.121  -6.833
  233    HA   PHE  38           HA       PHE  38  -3.813   2.410  -4.677
  234   1HB   PHE  38          HB2       PHE  38  -4.459   0.272  -6.677
  235   2HB   PHE  38          HB1       PHE  38  -2.947   0.156  -5.782
  236    HD1  PHE  38           HD1      PHE  38  -3.638   1.278  -3.165
  237    HD2  PHE  38           HD2      PHE  38  -5.904  -1.321  -5.724
  238    HE1  PHE  38           HE1      PHE  38  -4.855   0.397  -1.191
  239    HE2  PHE  38           HE2      PHE  38  -7.123  -2.203  -3.752
  240    HZ   PHE  38           HZ       PHE  38  -6.599  -1.344  -1.485
  241    H    SER  39           H        SER  39  -1.715   3.100  -4.770
  242    HA   SER  39           HA       SER  39  -0.643   4.136  -7.248
  243   1HB   SER  39          HB2       SER  39   1.302   4.710  -5.967
  244   2HB   SER  39          HB1       SER  39  -0.070   4.937  -4.886
  245    HG   SER  39           HG       SER  39   0.455   3.118  -3.823
  246    H    ARG  40           H        ARG  40   1.665   3.299  -7.953
  247    HA   ARG  40           HA       ARG  40   1.324   0.456  -8.541
  248   1HB   ARG  40          HB2       ARG  40   2.566   2.551  -9.847
  249   2HB   ARG  40          HB1       ARG  40   3.933   1.647  -9.194
  250   1HG   ARG  40          HG2       ARG  40   3.690   0.145 -10.849
  251   2HG   ARG  40          HG1       ARG  40   2.103  -0.271 -10.200
  252   1HD   ARG  40          HD2       ARG  40   1.214   0.562 -12.098
  253   2HD   ARG  40          HD1       ARG  40   1.713   2.160 -11.543
  254    HE   ARG  40           HE       ARG  40   3.806   0.636 -12.929
  255   1HH1  ARG  40          1HH1      ARG  40   3.568   3.656 -12.760
  256   2HH1  ARG  40          2HH1      ARG  40   3.082   4.050 -14.375
  257   1HH2  ARG  40          1HH2      ARG  40   2.166   0.804 -15.177
  258   2HH2  ARG  40          2HH2      ARG  40   2.289   2.437 -15.743
  259    H    ALA  41           H        ALA  41   3.265  -1.044  -8.186
  260    HA   ALA  41           HA       ALA  41   3.927  -1.011  -5.356
  261   1HB   ALA  41          HB1       ALA  41   3.957  -2.919  -7.486
  262   2HB   ALA  41          HB2       ALA  41   4.151  -3.211  -5.758
  263   3HB   ALA  41          HB3       ALA  41   5.564  -2.879  -6.761
  264    H    GLY  42           H        GLY  42   6.087  -0.869  -4.477
  265   1HA   GLY  42          HA2       GLY  42   8.356  -0.179  -4.460
  266   2HA   GLY  42          HA1       GLY  42   8.283  -0.014  -6.216
  267    H    LYS  43           H        LYS  43   5.916   1.471  -4.093
  268    HA   LYS  43           HA       LYS  43   6.817   4.131  -5.073
  269   1HB   LYS  43          HB2       LYS  43   4.488   3.866  -5.391
  270   2HB   LYS  43          HB1       LYS  43   4.273   3.095  -3.827
  271   1HG   LYS  43          HG2       LYS  43   3.482   5.197  -3.306
  272   2HG   LYS  43          HG1       LYS  43   5.181   5.464  -2.957
  273   1HD   LYS  43          HD2       LYS  43   5.533   6.708  -4.874
  274   2HD   LYS  43          HD1       LYS  43   4.249   5.887  -5.763
  275   1HE   LYS  43          HE2       LYS  43   2.814   7.070  -3.766
  276   2HE   LYS  43          HE1       LYS  43   4.102   8.253  -3.996
  277   1HZ   LYS  43          HZ1       LYS  43   2.155   7.252  -5.983
  278   2HZ   LYS  43          HZ2       LYS  43   3.593   8.025  -6.454
  279   3HZ   LYS  43          HZ3       LYS  43   2.449   8.854  -5.508
  280    H    ILE  44           H        ILE  44   7.669   5.659  -3.676
  281    HA   ILE  44           HA       ILE  44   8.655   4.743  -1.129
  282    HB   ILE  44           HB       ILE  44   8.958   7.093  -2.833
  283   1HG1  ILE  44          2HG1      ILE  44  10.661   5.340  -2.224
  284   2HG1  ILE  44          1HG1      ILE  44  11.209   6.997  -1.958
  285   1HG2  ILE  44          1HG2      ILE  44   8.637   7.503   0.140
  286   2HG2  ILE  44          2HG2      ILE  44   7.989   8.476  -1.180
  287   3HG2  ILE  44          3HG2      ILE  44   9.713   8.529  -0.809
  288   1HD1  ILE  44          1HD1      ILE  44  11.407   6.670   0.267
  289   2HD1  ILE  44          2HD1      ILE  44  11.207   4.949  -0.063
  290   3HD1  ILE  44          3HD1      ILE  44   9.809   5.933   0.368
  291    H    CYS  45           H        CYS  45   7.061   4.231   0.337
  292    HA   CYS  45           HA       CYS  45   4.803   6.084   0.785
  293   1HB   CYS  45          HB2       CYS  45   4.239   4.417   2.625
  294   2HB   CYS  45          HB1       CYS  45   4.226   3.751   0.997
  295    H    ARG  46           H        ARG  46   7.783   5.020   2.285
  296    HA   ARG  46           HA       ARG  46   7.642   7.375   4.102
  297   1HB   ARG  46          HB2       ARG  46   8.101   4.509   4.966
  298   2HB   ARG  46          HB1       ARG  46   8.486   5.901   5.979
  299   1HG   ARG  46          HG2       ARG  46   5.845   6.272   4.963
  300   2HG   ARG  46          HG1       ARG  46   5.949   4.635   5.612
  301   1HD   ARG  46          HD2       ARG  46   5.806   5.473   7.694
  302   2HD   ARG  46          HD1       ARG  46   7.318   6.342   7.428
  303    HE   ARG  46           HE       ARG  46   5.403   7.930   6.198
  304   1HH1  ARG  46          1HH1      ARG  46   3.717   6.617   8.435
  305   2HH1  ARG  46          2HH1      ARG  46   3.831   7.834   9.662
  306   1HH2  ARG  46          1HH2      ARG  46   6.488   9.477   8.159
  307   2HH2  ARG  46          2HH2      ARG  46   5.401   9.453   9.507
  308    H    ILE  47           H        ILE  47   9.847   7.645   5.233
  309    HA   ILE  47           HA       ILE  47  12.085   6.571   3.593
  310    HB   ILE  47           HB       ILE  47  11.502   8.771   2.632
  311   1HG1  ILE  47          2HG1      ILE  47  13.898   9.674   3.974
  312   2HG1  ILE  47          1HG1      ILE  47  14.021   7.951   3.622
  313   1HG2  ILE  47          1HG2      ILE  47  10.551   9.582   4.888
  314   2HG2  ILE  47          2HG2      ILE  47  11.446  10.758   3.926
  315   3HG2  ILE  47          3HG2      ILE  47  12.218   9.977   5.307
  316   1HD1  ILE  47          1HD1      ILE  47  14.200   8.313   1.398
  317   2HD1  ILE  47          2HD1      ILE  47  14.497  10.001   1.813
  318   3HD1  ILE  47          3HD1      ILE  47  12.868   9.468   1.401
  319    H    ALA  48           H        ALA  48  13.460   5.664   5.037
  320    HA   ALA  48           HA       ALA  48  13.412   6.529   7.853
  321   1HB   ALA  48          HB1       ALA  48  15.327   4.490   6.755
  322   2HB   ALA  48          HB2       ALA  48  13.616   4.086   6.903
  323   3HB   ALA  48          HB3       ALA  48  14.541   4.542   8.333
  324    H    ARG  49           H        ARG  49  14.755   8.104   8.570
  325    HA   ARG  49           HA       ARG  49  17.091   8.852   6.905
  326   1HB   ARG  49          HB2       ARG  49  17.213  10.768   8.613
  327   2HB   ARG  49          HB1       ARG  49  15.801  10.745   7.556
  328   1HG   ARG  49          HG2       ARG  49  15.407   9.154   9.978
  329   2HG   ARG  49          HG1       ARG  49  15.742  10.849  10.332
  330   1HD   ARG  49          HD2       ARG  49  13.918  10.633   8.095
  331   2HD   ARG  49          HD1       ARG  49  13.289   9.752   9.488
  332    HE   ARG  49           HE       ARG  49  14.223  12.282  10.396
  333   1HH1  ARG  49          1HH2      ARG  49  11.664  10.658   8.778
  334   2HH1  ARG  49          2HH2      ARG  49  10.567  11.996   8.875
  335   1HH2  ARG  49          1HH1      ARG  49  12.872  14.116  10.364
  336   2HH2  ARG  49          2HH1      ARG  49  11.251  13.952   9.777
  337    H    GLY  50           H        GLY  50  19.119   8.234   7.467
  338   1HA   GLY  50          HA2       GLY  50  20.702   8.186   9.495
  339   2HA   GLY  50          HA1       GLY  50  19.506   7.103  10.207
  340    H    ASP  51           H        ASP  51  20.335   5.065  10.153
  341    HA   ASP  51           HA       ASP  51  21.856   4.232   7.723
  342   1HB   ASP  51          HB2       ASP  51  22.199   3.766  10.570
  343   2HB   ASP  51          HB1       ASP  51  22.103   2.240   9.687
  344    H    MET  52           H        MET  52  19.032   4.337   7.581
  345    HA   MET  52           HA       MET  52  18.422   1.422   7.366
  346   1HB   MET  52          HB2       MET  52  16.943   3.542   8.811
  347   2HB   MET  52          HB1       MET  52  15.952   2.494   7.795
  348   1HG   MET  52          HG2       MET  52  17.617   0.682   9.023
  349   2HG   MET  52          HG1       MET  52  17.373   1.876  10.298
  350   1HE   MET  52          HE1       MET  52  13.985   2.352  10.940
  351   2HE   MET  52          HE2       MET  52  15.702   2.560  11.274
  352   3HE   MET  52          HE3       MET  52  14.828   1.212  11.997
  353    HA   PRO  53           HA       PRO  53  17.182   2.468   3.286
  354   1HB   PRO  53          HB2       PRO  53  15.433   0.400   2.818
  355   2HB   PRO  53          HB1       PRO  53  17.194   0.205   2.847
  356   1HG   PRO  53          HG2       PRO  53  15.182  -0.612   4.891
  357   2HG   PRO  53          HG1       PRO  53  16.781  -1.296   4.555
  358   1HD   PRO  53          HD2       PRO  53  16.141   0.458   6.683
  359   2HD   PRO  53          HD1       PRO  53  17.776   0.027   6.141
  360    H    ASP  54           H        ASP  54  14.804   2.258   2.007
  361    HA   ASP  54           HA       ASP  54  12.906   3.804   3.728
  362   1HB   ASP  54          HB2       ASP  54  13.236   4.005   0.719
  363   2HB   ASP  54          HB1       ASP  54  12.230   5.030   1.744
  364    H    ASP  55           H        ASP  55  10.788   3.092   3.772
  365    HA   ASP  55           HA       ASP  55  10.219   0.445   2.717
  366   1HB   ASP  55          HB2       ASP  55   9.264   1.710   4.844
  367   2HB   ASP  55          HB1       ASP  55   8.054   2.277   3.692
  368    H    ARG  56           H        ARG  56   8.772  -0.074   1.004
  369    HA   ARG  56           HA       ARG  56   7.978   2.241  -0.708
  370   1HB   ARG  56          HB2       ARG  56   9.635  -0.081  -1.325
  371   2HB   ARG  56          HB1       ARG  56   8.261   0.063  -2.421
  372   1HG   ARG  56          HG2       ARG  56   8.872   2.329  -3.000
  373   2HG   ARG  56          HG1       ARG  56  10.128   2.356  -1.761
  374   1HD   ARG  56          HD2       ARG  56  10.073   0.681  -4.282
  375   2HD   ARG  56          HD1       ARG  56  11.228   1.945  -3.861
  376    HE   ARG  56           HE       ARG  56  11.218  -0.807  -2.814
  377   1HH1  ARG  56          1HH2      ARG  56  13.634   0.721  -3.816
  378   2HH1  ARG  56          2HH2      ARG  56  14.450   1.089  -2.333
  379   1HH2  ARG  56          1HH1      ARG  56  11.695   0.406  -0.341
  380   2HH2  ARG  56          2HH1      ARG  56  13.350   0.912  -0.365
  381    H    CYS  57           H        CYS  57   5.905   2.155  -1.539
  382    HA   CYS  57           HA       CYS  57   3.950   0.500  -0.278
  383   1HB   CYS  57          HB2       CYS  57   3.516   1.658  -3.022
  384   2HB   CYS  57          HB1       CYS  57   2.362   1.485  -1.708
  385    H    THR  58           H        THR  58   2.785  -1.308  -1.095
  386    HA   THR  58           HA       THR  58   4.362  -3.033  -2.877
  387    HB   THR  58           HB       THR  58   2.783  -4.774  -2.257
  388    HG1  THR  58           HG1      THR  58   0.821  -4.183  -1.889
  389   1HG2  THR  58          1HG2      THR  58   3.909  -4.927  -0.321
  390   2HG2  THR  58          2HG2      THR  58   2.793  -3.773   0.407
  391   3HG2  THR  58          3HG2      THR  58   4.265  -3.201  -0.378
  392    H    GLY  59           H        GLY  59   2.128  -0.638  -3.379
  393   1HA   GLY  59          HA2       GLY  59   1.231  -0.044  -5.515
  394   2HA   GLY  59          HA1       GLY  59   1.518  -1.693  -6.068
  395    H    GLN  60           H        GLN  60   0.125  -3.371  -4.767
  396    HA   GLN  60           HA       GLN  60  -2.650  -2.638  -5.167
  397   1HB   GLN  60          HB2       GLN  60  -1.661  -5.084  -3.694
  398   2HB   GLN  60          HB1       GLN  60  -3.152  -4.900  -4.619
  399   1HG   GLN  60          HG2       GLN  60  -1.522  -4.381  -6.612
  400   2HG   GLN  60          HG1       GLN  60  -0.339  -5.226  -5.615
  401   1HE2  GLN  60          1HE2      GLN  60  -0.715  -6.665  -7.781
  402   2HE2  GLN  60          2HE2      GLN  60  -1.834  -7.926  -7.583
  403    H    SER  61           H        SER  61  -0.555  -1.946  -2.676
  404    HA   SER  61           HA       SER  61  -2.743  -2.034  -0.640
  405   1HB   SER  61          HB2       SER  61  -0.767  -3.237   0.094
  406   2HB   SER  61          HB1       SER  61   0.268  -1.873  -0.320
  407    HG   SER  61           HG       SER  61  -1.539  -2.199   1.799
  408    H    ALA  62           H        ALA  62  -3.132  -0.129   0.617
  409    HA   ALA  62           HA       ALA  62  -2.234   2.371  -0.743
  410   1HB   ALA  62          HB1       ALA  62  -4.756   1.478   0.393
  411   2HB   ALA  62          HB2       ALA  62  -4.433   2.869  -0.642
  412   3HB   ALA  62          HB3       ALA  62  -4.246   3.008   1.106
  413    H    ASP  63           H        ASP  63  -2.288   0.664   2.322
  414    HA   ASP  63           HA       ASP  63  -1.072   2.987   3.710
  415   1HB   ASP  63          HB2       ASP  63  -1.664   0.249   4.861
  416   2HB   ASP  63          HB1       ASP  63  -1.404   1.755   5.741
  417    H    CYS  64           H        CYS  64   0.973   2.636   4.914
  418    HA   CYS  64           HA       CYS  64   2.703   0.610   3.555
  419   1HB   CYS  64          HB2       CYS  64   3.255   2.922   2.903
  420   2HB   CYS  64          HB1       CYS  64   3.484   3.347   4.599
  421    HA   PRO  65           HA       PRO  65   3.128  -0.808   7.715
  422   1HB   PRO  65          HB2       PRO  65   4.461  -3.082   6.982
  423   2HB   PRO  65          HB1       PRO  65   2.706  -2.919   6.896
  424   1HG   PRO  65          HG2       PRO  65   4.711  -2.969   4.709
  425   2HG   PRO  65          HG1       PRO  65   2.976  -3.324   4.647
  426   1HD   PRO  65          HD2       PRO  65   4.252  -0.917   3.814
  427   2HD   PRO  65          HD1       PRO  65   2.504  -1.204   3.945
  428    H    ARG  66           H        ARG  66   5.324  -2.164   8.620
  429    HA   ARG  66           HA       ARG  66   7.657  -0.444   7.890
  430   1HB   ARG  66          HB2       ARG  66   8.264  -0.267  10.226
  431   2HB   ARG  66          HB1       ARG  66   6.581   0.235  10.068
  432   1HG   ARG  66          HG2       ARG  66   6.136  -2.351  10.511
  433   2HG   ARG  66          HG1       ARG  66   7.711  -2.244  11.297
  434   1HD   ARG  66          HD2       ARG  66   5.299  -0.511  11.906
  435   2HD   ARG  66          HD1       ARG  66   5.933  -1.800  12.927
  436    HE   ARG  66           HE       ARG  66   8.099  -0.299  12.886
  437   1HH1  ARG  66          1HH1      ARG  66   5.148   0.256  14.244
  438   2HH1  ARG  66          2HH1      ARG  66   5.310   1.975  14.393
  439   1HH2  ARG  66          1HH2      ARG  66   8.181   2.139  12.458
  440   2HH2  ARG  66          2HH2      ARG  66   7.026   3.039  13.383
  441    H    TYR  67           H        TYR  67   9.695  -1.554   9.126
  442    HA   TYR  67           HA       TYR  67   9.637  -4.389   8.212
  443   1HB   TYR  67          HB2       TYR  67  11.577  -2.251   8.060
  444   2HB   TYR  67          HB1       TYR  67  12.274  -3.645   8.886
  445    HD1  TYR  67           HD1      TYR  67  11.036  -5.943   7.670
  446    HD2  TYR  67           HD2      TYR  67  12.281  -2.266   5.828
  447    HE1  TYR  67           HE1      TYR  67  11.278  -7.113   5.497
  448    HE2  TYR  67           HE2      TYR  67  12.523  -3.438   3.655
  449    HH   TYR  67           HH       TYR  67  11.182  -6.305   2.956
  450    H    HIS  68           H        HIS  68   9.692  -2.476  11.049
  451    HA   HIS  68           HA       HIS  68   9.711  -4.823  12.744
  452   1HB   HIS  68          HB2       HIS  68  12.239  -3.420  12.239
  453   2HB   HIS  68          HB1       HIS  68  11.838  -3.531  13.953
  454    HD1  HIS  68           HD1      HIS  68  14.166  -5.206  12.700
  455    HD2  HIS  68           HD2      HIS  68  10.282  -6.614  13.261
  456    HE1  HIS  68           HE1      HIS  68  14.323  -7.733  12.777
  Start of MODEL   17
    1   1H    GLY   1          HT1       GLY   1 -11.309 -10.650   8.759
    2   2H    GLY   1          HT2       GLY   1 -12.733 -11.504   8.400
    3   3H    GLY   1          HT3       GLY   1 -12.056 -11.591   9.956
    4   1HA   GLY   1          HA1       GLY   1 -14.048  -9.915   9.202
    5   2HA   GLY   1          HA2       GLY   1 -13.032  -9.721  10.630
    6    H    LYS   2           H        LYS   2 -12.824  -9.127   7.100
    7    HA   LYS   2           HA       LYS   2 -11.686  -6.445   7.757
    8   1HB   LYS   2          HB2       LYS   2 -10.637  -8.529   5.849
    9   2HB   LYS   2          HB1       LYS   2 -10.294  -6.818   5.593
   10   1HG   LYS   2          HG2       LYS   2  -9.851  -7.439   8.360
   11   2HG   LYS   2          HG1       LYS   2  -8.979  -8.609   7.369
   12   1HD   LYS   2          HD2       LYS   2  -8.763  -5.881   6.335
   13   2HD   LYS   2          HD1       LYS   2  -8.110  -6.042   7.967
   14   1HE   LYS   2          HE2       LYS   2  -7.408  -8.191   6.033
   15   2HE   LYS   2          HE1       LYS   2  -6.661  -6.616   5.770
   16   1HZ   LYS   2          HZ1       LYS   2  -6.186  -6.749   8.288
   17   2HZ   LYS   2          HZ2       LYS   2  -5.204  -7.626   7.214
   18   3HZ   LYS   2          HZ3       LYS   2  -6.429  -8.416   8.087
   19    H    GLU   3           H        GLU   3 -14.247  -6.358   7.328
   20    HA   GLU   3           HA       GLU   3 -14.884  -6.231   4.452
   21   1HB   GLU   3          HB2       GLU   3 -17.147  -5.487   5.336
   22   2HB   GLU   3          HB1       GLU   3 -16.634  -7.092   5.860
   23   1HG   GLU   3          HG2       GLU   3 -16.146  -6.375   8.030
   24   2HG   GLU   3          HG1       GLU   3 -15.952  -4.693   7.537
   25    H    CYS   4           H        CYS   4 -13.277  -4.234   6.506
   26    HA   CYS   4           HA       CYS   4 -14.537  -1.722   5.570
   27   1HB   CYS   4          HB2       CYS   4 -12.340  -2.353   7.527
   28   2HB   CYS   4          HB1       CYS   4 -12.650  -0.708   7.002
   29    H    ASP   5           H        ASP   5 -13.804  -0.726   3.772
   30    HA   ASP   5           HA       ASP   5 -11.117  -1.493   2.720
   31   1HB   ASP   5          HB2       ASP   5 -13.597  -1.363   1.439
   32   2HB   ASP   5          HB1       ASP   5 -12.770   0.110   0.931
   33    H    CYS   6           H        CYS   6 -12.842   0.983   4.267
   34    HA   CYS   6           HA       CYS   6 -10.881   3.048   3.354
   35   1HB   CYS   6          HB2       CYS   6 -12.506   4.694   4.152
   36   2HB   CYS   6          HB1       CYS   6 -13.299   3.580   3.043
   37    H    SER   7           H        SER   7 -10.421   4.681   5.255
   38    HA   SER   7           HA       SER   7  -9.789   3.033   7.664
   39   1HB   SER   7          HB2       SER   7  -7.932   4.154   6.227
   40   2HB   SER   7          HB1       SER   7  -8.466   5.652   6.982
   41    HG   SER   7           HG       SER   7  -8.256   4.324   9.014
   42    H    SER   8           H        SER   8 -11.146   6.117   6.567
   43    HA   SER   8           HA       SER   8 -12.034   6.594   9.382
   44   1HB   SER   8          HB2       SER   8 -12.075   8.854   7.466
   45   2HB   SER   8          HB1       SER   8 -11.605   8.826   9.163
   46    HG   SER   8           HG       SER   8  -9.782   9.128   7.884
   47    HA   PRO   9           HA       PRO   9 -16.074   6.086   7.561
   48   1HB   PRO   9          HB2       PRO   9 -17.455   6.402   9.913
   49   2HB   PRO   9          HB1       PRO   9 -16.630   4.900   9.462
   50   1HG   PRO   9          HG2       PRO   9 -15.835   6.943  11.476
   51   2HG   PRO   9          HG1       PRO   9 -15.420   5.222  11.400
   52   1HD   PRO   9          HD2       PRO   9 -13.744   7.391  10.640
   53   2HD   PRO   9          HD1       PRO   9 -13.450   5.667  10.320
   54    H    GLU  10           H        GLU  10 -14.868   8.705   7.287
   55    HA   GLU  10           HA       GLU  10 -17.315  10.357   7.572
   56   1HB   GLU  10          HB2       GLU  10 -15.265  10.584   9.429
   57   2HB   GLU  10          HB1       GLU  10 -14.902  11.864   8.272
   58   1HG   GLU  10          HG2       GLU  10 -16.784  13.055   8.793
   59   2HG   GLU  10          HG1       GLU  10 -17.751  11.604   9.062
   60    H    ASN  11           H        ASN  11 -15.201   9.123   5.554
   61    HA   ASN  11           HA       ASN  11 -14.822  11.625   3.975
   62   1HB   ASN  11          HB2       ASN  11 -13.005  10.418   2.840
   63   2HB   ASN  11          HB1       ASN  11 -12.739  10.429   4.578
   64   1HD2  ASN  11          1HD2      ASN  11 -11.382   8.442   3.445
   65   2HD2  ASN  11          2HD2      ASN  11 -12.162   6.944   3.591
   66    HA   PRO  12           HA       PRO  12 -17.537  10.046   0.920
   67   1HB   PRO  12          HB2       PRO  12 -16.389  11.061  -1.362
   68   2HB   PRO  12          HB1       PRO  12 -17.295  12.040  -0.195
   69   1HG   PRO  12          HG2       PRO  12 -14.348  11.892  -0.636
   70   2HG   PRO  12          HG1       PRO  12 -15.322  13.232  -0.006
   71   1HD   PRO  12          HD2       PRO  12 -13.757  11.465   1.541
   72   2HD   PRO  12          HD1       PRO  12 -15.007  12.561   2.166
   73    H    CYS  13           H        CYS  13 -14.165   9.192   0.749
   74    HA   CYS  13           HA       CYS  13 -14.537   7.283  -1.441
   75   1HB   CYS  13          HB2       CYS  13 -12.348   8.614  -0.347
   76   2HB   CYS  13          HB1       CYS  13 -12.115   6.938   0.161
   77    H    CYS  14           H        CYS  14 -15.846   7.156   1.432
   78    HA   CYS  14           HA       CYS  14 -15.248   4.249   1.791
   79   1HB   CYS  14          HB2       CYS  14 -14.207   5.510   3.623
   80   2HB   CYS  14          HB1       CYS  14 -15.744   6.302   3.968
   81    H    ASP  15           H        ASP  15 -17.047   2.980   2.503
   82    HA   ASP  15           HA       ASP  15 -19.698   4.338   2.207
   83   1HB   ASP  15          HB2       ASP  15 -18.932   2.660   0.373
   84   2HB   ASP  15          HB1       ASP  15 -19.237   1.421   1.591
   85    H    ALA  16           H        ALA  16 -20.433   4.513   4.279
   86    HA   ALA  16           HA       ALA  16 -19.712   2.832   6.454
   87   1HB   ALA  16          HB1       ALA  16 -21.569   5.010   5.961
   88   2HB   ALA  16          HB2       ALA  16 -20.763   4.553   7.463
   89   3HB   ALA  16          HB3       ALA  16 -22.290   3.793   7.014
   90    H    ALA  17           H        ALA  17 -22.073   2.409   3.922
   91    HA   ALA  17           HA       ALA  17 -23.911   0.646   5.076
   92   1HB   ALA  17          HB1       ALA  17 -22.656   0.660   2.324
   93   2HB   ALA  17          HB2       ALA  17 -24.244   1.264   2.795
   94   3HB   ALA  17          HB3       ALA  17 -23.933  -0.472   2.769
   95    H    THR  18           H        THR  18 -20.735  -0.189   3.653
   96    HA   THR  18           HA       THR  18 -20.768  -2.632   5.368
   97    HB   THR  18           HB       THR  18 -20.978  -3.800   3.421
   98    HG1  THR  18           HG1      THR  18 -18.725  -3.627   2.271
   99   1HG2  THR  18          1HG2      THR  18 -20.400  -2.825   1.181
  100   2HG2  THR  18          2HG2      THR  18 -19.915  -1.343   2.004
  101   3HG2  THR  18          3HG2      THR  18 -21.592  -1.883   2.076
  102    H    CYS  19           H        CYS  19 -19.383   0.216   5.170
  103    HA   CYS  19           HA       CYS  19 -17.305   1.013   5.981
  104   1HB   CYS  19          HB2       CYS  19 -17.555  -1.243   7.355
  105   2HB   CYS  19          HB1       CYS  19 -16.304  -1.792   6.269
  106    H    LYS  20           H        LYS  20 -17.867  -0.431   3.175
  107    HA   LYS  20           HA       LYS  20 -15.007  -0.655   2.393
  108   1HB   LYS  20          HB2       LYS  20 -17.525  -1.875   1.453
  109   2HB   LYS  20          HB1       LYS  20 -16.355  -1.474   0.193
  110   1HG   LYS  20          HG2       LYS  20 -14.839  -2.607   2.266
  111   2HG   LYS  20          HG1       LYS  20 -16.279  -3.617   2.150
  112   1HD   LYS  20          HD2       LYS  20 -15.815  -3.476  -0.438
  113   2HD   LYS  20          HD1       LYS  20 -14.176  -3.075   0.077
  114   1HE   LYS  20          HE2       LYS  20 -13.865  -5.316   0.210
  115   2HE   LYS  20          HE1       LYS  20 -14.792  -5.211   1.706
  116   1HZ   LYS  20          HZ1       LYS  20 -16.769  -5.760   0.575
  117   2HZ   LYS  20          HZ2       LYS  20 -15.605  -6.874   0.039
  118   3HZ   LYS  20          HZ3       LYS  20 -16.054  -5.568  -0.949
  119    H    LEU  21           H        LEU  21 -14.466   0.203   0.194
  120    HA   LEU  21           HA       LEU  21 -14.628   2.932  -0.007
  121   1HB   LEU  21          HB2       LEU  21 -14.476   0.835  -2.161
  122   2HB   LEU  21          HB1       LEU  21 -14.458   2.553  -2.560
  123    HG   LEU  21           HG       LEU  21 -12.648   2.003  -0.369
  124   1HD1  LEU  21          1HD1      LEU  21 -12.068   0.558  -2.972
  125   2HD1  LEU  21          2HD1      LEU  21 -12.572  -0.243  -1.484
  126   3HD1  LEU  21          3HD1      LEU  21 -11.034   0.618  -1.545
  127   1HD2  LEU  21          1HD2      LEU  21 -12.119   3.940  -1.461
  128   2HD2  LEU  21          2HD2      LEU  21 -12.722   3.350  -3.009
  129   3HD2  LEU  21          3HD2      LEU  21 -11.126   2.860  -2.441
  130    H    ARG  22           H        ARG  22 -15.995   4.445  -0.937
  131    HA   ARG  22           HA       ARG  22 -18.798   3.589  -1.241
  132   1HB   ARG  22          HB2       ARG  22 -18.936   5.550  -0.088
  133   2HB   ARG  22          HB1       ARG  22 -17.385   6.129  -0.680
  134   1HG   ARG  22          HG2       ARG  22 -18.354   6.910  -2.727
  135   2HG   ARG  22          HG1       ARG  22 -19.857   6.036  -2.426
  136   1HD   ARG  22          HD2       ARG  22 -20.532   7.525  -0.734
  137   2HD   ARG  22          HD1       ARG  22 -18.896   8.135  -0.492
  138    HE   ARG  22           HE       ARG  22 -19.245   9.065  -2.932
  139   1HH1  ARG  22          1HH2      ARG  22 -22.084   8.425  -3.209
  140   2HH1  ARG  22          2HH2      ARG  22 -22.878   9.828  -2.575
  141   1HH2  ARG  22          1HH1      ARG  22 -20.064  11.004  -0.927
  142   2HH2  ARG  22          2HH1      ARG  22 -21.735  11.287  -1.282
  143    HA   PRO  23           HA       PRO  23 -17.971   5.301  -5.601
  144   1HB   PRO  23          HB2       PRO  23 -15.464   6.245  -6.189
  145   2HB   PRO  23          HB1       PRO  23 -16.751   7.258  -5.512
  146   1HG   PRO  23          HG2       PRO  23 -14.320   6.182  -4.179
  147   2HG   PRO  23          HG1       PRO  23 -15.294   7.599  -3.759
  148   1HD   PRO  23          HD2       PRO  23 -15.371   5.051  -2.494
  149   2HD   PRO  23          HD1       PRO  23 -16.492   6.401  -2.227
  150    H    GLY  24           H        GLY  24 -15.926   4.853  -7.452
  151   1HA   GLY  24          HA2       GLY  24 -15.568   1.928  -7.193
  152   2HA   GLY  24          HA1       GLY  24 -15.296   2.876  -8.657
  153    H    ALA  25           H        ALA  25 -13.995   4.138  -5.737
  154    HA   ALA  25           HA       ALA  25 -11.300   4.082  -6.731
  155   1HB   ALA  25          HB1       ALA  25 -10.881   4.641  -4.164
  156   2HB   ALA  25          HB2       ALA  25 -12.632   4.842  -4.154
  157   3HB   ALA  25          HB3       ALA  25 -11.640   5.824  -5.229
  158    H    GLN  26           H        GLN  26  -9.524   2.766  -6.035
  159    HA   GLN  26           HA       GLN  26 -10.258   0.050  -5.291
  160   1HB   GLN  26          HB2       GLN  26  -8.006   1.348  -6.453
  161   2HB   GLN  26          HB1       GLN  26  -7.441   0.520  -5.001
  162   1HG   GLN  26          HG2       GLN  26  -7.571  -1.457  -6.059
  163   2HG   GLN  26          HG1       GLN  26  -9.288  -1.195  -6.351
  164   1HE2  GLN  26          1HE2      GLN  26  -9.902  -0.865  -8.511
  165   2HE2  GLN  26          2HE2      GLN  26  -8.822  -0.529  -9.776
  166    H    CYS  27           H        CYS  27  -8.940   2.864  -3.658
  167    HA   CYS  27           HA       CYS  27  -9.432   1.534  -1.068
  168   1HB   CYS  27          HB2       CYS  27  -7.189   1.022  -0.991
  169   2HB   CYS  27          HB1       CYS  27  -6.742   2.294  -2.117
  170    H    GLY  28           H        GLY  28 -10.393   2.976   0.293
  171   1HA   GLY  28          HA2       GLY  28 -10.853   5.684  -0.657
  172   2HA   GLY  28          HA1       GLY  28 -11.459   5.006   0.853
  173    H    GLU  29           H        GLU  29  -8.837   4.164   1.816
  174    HA   GLU  29           HA       GLU  29  -7.320   6.700   2.012
  175   1HB   GLU  29          HB2       GLU  29  -9.136   6.604   3.810
  176   2HB   GLU  29          HB1       GLU  29  -8.235   5.257   4.502
  177   1HG   GLU  29          HG2       GLU  29  -6.581   6.603   5.283
  178   2HG   GLU  29          HG1       GLU  29  -6.594   7.611   3.836
  179    H    GLY  30           H        GLY  30  -5.128   6.351   2.442
  180   1HA   GLY  30          HA2       GLY  30  -3.827   4.307   3.742
  181   2HA   GLY  30          HA1       GLY  30  -4.167   3.599   2.161
  182    H    LEU  31           H        LEU  31  -1.508   4.206   3.191
  183    HA   LEU  31           HA       LEU  31  -0.530   6.674   2.049
  184   1HB   LEU  31          HB2       LEU  31   0.685   4.176   3.156
  185   2HB   LEU  31          HB1       LEU  31   1.695   5.182   2.124
  186    HG   LEU  31           HG       LEU  31   0.129   6.306   4.452
  187   1HD1  LEU  31          1HD1      LEU  31   1.697   4.621   5.309
  188   2HD1  LEU  31          2HD1      LEU  31   2.268   6.242   5.705
  189   3HD1  LEU  31          3HD1      LEU  31   3.006   5.348   4.376
  190   1HD2  LEU  31          1HD2      LEU  31   1.558   7.457   2.312
  191   2HD2  LEU  31          2HD2      LEU  31   2.609   7.613   3.720
  192   3HD2  LEU  31          3HD2      LEU  31   0.977   8.279   3.760
  193    H    CYS  32           H        CYS  32  -0.951   3.392   0.896
  194    HA   CYS  32           HA       CYS  32   0.389   3.962  -1.664
  195   1HB   CYS  32          HB2       CYS  32   0.037   1.672  -0.184
  196   2HB   CYS  32          HB1       CYS  32  -1.207   1.498  -1.421
  197    H    CYS  33           H        CYS  33  -2.314   5.170  -0.619
  198    HA   CYS  33           HA       CYS  33  -3.969   4.341  -2.952
  199   1HB   CYS  33          HB2       CYS  33  -4.878   5.932  -0.547
  200   2HB   CYS  33          HB1       CYS  33  -5.889   5.124  -1.749
  201    H    GLU  34           H        GLU  34  -3.021   5.673  -4.543
  202    HA   GLU  34           HA       GLU  34  -2.919   8.591  -4.052
  203   1HB   GLU  34          HB2       GLU  34  -1.064   7.331  -5.273
  204   2HB   GLU  34          HB1       GLU  34  -2.209   7.107  -6.598
  205   1HG   GLU  34          HG2       GLU  34  -1.355   9.095  -7.324
  206   2HG   GLU  34          HG1       GLU  34  -2.490   9.775  -6.155
  207    H    GLN  35           H        GLN  35  -4.742   9.743  -4.497
  208    HA   GLN  35           HA       GLN  35  -6.719  10.396  -5.586
  209   1HB   GLN  35          HB2       GLN  35  -5.277   9.938  -7.661
  210   2HB   GLN  35          HB1       GLN  35  -6.049   8.353  -7.714
  211   1HG   GLN  35          HG2       GLN  35  -7.353   9.752  -9.145
  212   2HG   GLN  35          HG1       GLN  35  -8.283   9.594  -7.655
  213   1HE2  GLN  35          1HE2      GLN  35  -9.322  11.707  -8.138
  214   2HE2  GLN  35          2HE2      GLN  35  -8.475  13.153  -7.867
  215    H    CYS  36           H        CYS  36  -6.534   8.225  -3.661
  216    HA   CYS  36           HA       CYS  36  -7.977   6.661  -2.691
  217   1HB   CYS  36          HB2       CYS  36  -9.683   7.961  -4.747
  218   2HB   CYS  36          HB1       CYS  36 -10.199   6.379  -4.188
  219    H    LYS  37           H        LYS  37  -6.316   6.272  -5.428
  220    HA   LYS  37           HA       LYS  37  -7.382   3.521  -5.927
  221   1HB   LYS  37          HB2       LYS  37  -6.698   5.607  -7.732
  222   2HB   LYS  37          HB1       LYS  37  -5.469   4.354  -7.911
  223   1HG   LYS  37          HG2       LYS  37  -7.725   2.830  -7.778
  224   2HG   LYS  37          HG1       LYS  37  -8.351   4.275  -8.572
  225   1HD   LYS  37          HD2       LYS  37  -6.116   4.012 -10.004
  226   2HD   LYS  37          HD1       LYS  37  -6.302   2.324  -9.530
  227   1HE   LYS  37          HE2       LYS  37  -8.830   3.506 -10.388
  228   2HE   LYS  37          HE1       LYS  37  -7.603   3.577 -11.652
  229   1HZ   LYS  37          HZ1       LYS  37  -7.304   1.088 -10.611
  230   2HZ   LYS  37          HZ2       LYS  37  -8.140   1.467 -12.041
  231   3HZ   LYS  37          HZ3       LYS  37  -8.987   1.307 -10.576
  232    H    PHE  38           H        PHE  38  -5.642   1.875  -6.388
  233    HA   PHE  38           HA       PHE  38  -3.637   1.942  -4.324
  234   1HB   PHE  38          HB2       PHE  38  -4.097   0.145  -6.704
  235   2HB   PHE  38          HB1       PHE  38  -2.703  -0.065  -5.651
  236    HD1  PHE  38           HD1      PHE  38  -3.865   0.636  -3.003
  237    HD2  PHE  38           HD2      PHE  38  -5.460  -1.710  -6.226
  238    HE1  PHE  38           HE1      PHE  38  -5.265  -0.632  -1.393
  239    HE2  PHE  38           HE2      PHE  38  -6.860  -2.974  -4.617
  240    HZ   PHE  38           HZ       PHE  38  -6.762  -2.435  -2.199
  241    H    SER  39           H        SER  39  -1.608   2.791  -4.390
  242    HA   SER  39           HA       SER  39  -0.707   4.265  -6.712
  243   1HB   SER  39          HB2       SER  39   0.434   3.583  -4.024
  244   2HB   SER  39          HB1       SER  39   1.530   4.154  -5.280
  245    HG   SER  39           HG       SER  39  -0.222   5.537  -3.782
  246    H    ARG  40           H        ARG  40   1.873   3.661  -7.205
  247    HA   ARG  40           HA       ARG  40   1.649   0.997  -8.448
  248   1HB   ARG  40          HB2       ARG  40   3.658   3.249  -8.663
  249   2HB   ARG  40          HB1       ARG  40   3.942   1.674  -9.402
  250   1HG   ARG  40          HG2       ARG  40   1.687   1.924 -10.544
  251   2HG   ARG  40          HG1       ARG  40   1.675   3.595  -9.980
  252   1HD   ARG  40          HD2       ARG  40   3.140   4.241 -11.575
  253   2HD   ARG  40          HD1       ARG  40   4.214   2.882 -11.235
  254    HE   ARG  40           HE       ARG  40   1.999   2.882 -13.208
  255   1HH1  ARG  40          1HH1      ARG  40   5.005   2.209 -13.582
  256   2HH1  ARG  40          2HH1      ARG  40   4.909   0.493 -13.802
  257   1HH2  ARG  40          1HH2      ARG  40   1.659   0.254 -12.613
  258   2HH2  ARG  40          2HH2      ARG  40   3.017  -0.613 -13.250
  259    H    ALA  41           H        ALA  41   3.566  -0.504  -8.261
  260    HA   ALA  41           HA       ALA  41   4.228  -0.905  -5.454
  261   1HB   ALA  41          HB1       ALA  41   5.044  -2.995  -6.104
  262   2HB   ALA  41          HB2       ALA  41   5.549  -2.415  -7.692
  263   3HB   ALA  41          HB3       ALA  41   3.839  -2.685  -7.353
  264    H    GLY  42           H        GLY  42   6.389  -0.896  -4.582
  265   1HA   GLY  42          HA2       GLY  42   8.598  -0.109  -4.378
  266   2HA   GLY  42          HA1       GLY  42   8.659  -0.009  -6.139
  267    H    LYS  43           H        LYS  43   6.231   1.561  -4.119
  268    HA   LYS  43           HA       LYS  43   7.249   4.180  -5.147
  269   1HB   LYS  43          HB2       LYS  43   5.078   4.523  -5.660
  270   2HB   LYS  43          HB1       LYS  43   4.610   3.036  -4.850
  271   1HG   LYS  43          HG2       LYS  43   3.398   4.712  -3.711
  272   2HG   LYS  43          HG1       LYS  43   4.774   4.417  -2.654
  273   1HD   LYS  43          HD2       LYS  43   5.899   6.381  -3.411
  274   2HD   LYS  43          HD1       LYS  43   4.801   6.569  -4.777
  275   1HE   LYS  43          HE2       LYS  43   3.035   6.588  -2.702
  276   2HE   LYS  43          HE1       LYS  43   4.438   7.342  -1.946
  277   1HZ   LYS  43          HZ1       LYS  43   3.336   8.182  -4.568
  278   2HZ   LYS  43          HZ2       LYS  43   4.516   8.980  -3.640
  279   3HZ   LYS  43          HZ3       LYS  43   2.907   8.909  -3.097
  280    H    ILE  44           H        ILE  44   7.937   5.754  -3.698
  281    HA   ILE  44           HA       ILE  44   8.634   4.905  -1.062
  282    HB   ILE  44           HB       ILE  44   8.889   7.364  -2.658
  283   1HG1  ILE  44          2HG1      ILE  44  10.729   5.811  -2.253
  284   2HG1  ILE  44          1HG1      ILE  44  11.091   7.359  -1.483
  285   1HG2  ILE  44          1HG2      ILE  44   9.505   8.620  -0.439
  286   2HG2  ILE  44          2HG2      ILE  44   8.369   7.496   0.305
  287   3HG2  ILE  44          3HG2      ILE  44   7.822   8.591  -0.964
  288   1HD1  ILE  44          1HD1      ILE  44   9.590   5.768   0.365
  289   2HD1  ILE  44          2HD1      ILE  44  11.253   6.336   0.516
  290   3HD1  ILE  44          3HD1      ILE  44  10.917   4.786  -0.255
  291    H    CYS  45           H        CYS  45   6.882   4.212   0.119
  292    HA   CYS  45           HA       CYS  45   4.527   5.971   0.434
  293   1HB   CYS  45          HB2       CYS  45   3.862   4.147   2.120
  294   2HB   CYS  45          HB1       CYS  45   3.870   3.693   0.420
  295    H    ARG  46           H        ARG  46   7.469   5.101   2.009
  296    HA   ARG  46           HA       ARG  46   6.977   7.206   4.038
  297   1HB   ARG  46          HB2       ARG  46   6.214   5.232   5.214
  298   2HB   ARG  46          HB1       ARG  46   7.648   4.330   4.722
  299   1HG   ARG  46          HG2       ARG  46   9.035   5.450   6.201
  300   2HG   ARG  46          HG1       ARG  46   8.031   6.900   6.206
  301   1HD   ARG  46          HD2       ARG  46   6.441   4.766   7.219
  302   2HD   ARG  46          HD1       ARG  46   7.993   4.710   8.054
  303    HE   ARG  46           HE       ARG  46   7.548   7.243   8.461
  304   1HH1  ARG  46          1HH1      ARG  46   6.120   5.172  10.234
  305   2HH1  ARG  46          2HH1      ARG  46   4.518   5.828  10.265
  306   1HH2  ARG  46          1HH2      ARG  46   5.050   7.948   7.571
  307   2HH2  ARG  46          2HH2      ARG  46   3.913   7.402   8.758
  308    H    ILE  47           H        ILE  47   8.744   8.491   3.851
  309    HA   ILE  47           HA       ILE  47  11.306   7.277   2.968
  310    HB   ILE  47           HB       ILE  47  10.341   9.361   1.862
  311   1HG1  ILE  47          2HG1      ILE  47  12.785  10.539   2.573
  312   2HG1  ILE  47          1HG1      ILE  47  13.048   8.807   2.777
  313   1HG2  ILE  47          1HG2      ILE  47  11.320  10.693   4.400
  314   2HG2  ILE  47          2HG2      ILE  47   9.618  10.364   4.073
  315   3HG2  ILE  47          3HG2      ILE  47  10.521  11.462   3.028
  316   1HD1  ILE  47          1HD1      ILE  47  12.906   8.400   0.546
  317   2HD1  ILE  47          2HD1      ILE  47  13.219  10.128   0.378
  318   3HD1  ILE  47          3HD1      ILE  47  11.562   9.524   0.334
  319    H    ALA  48           H        ALA  48  13.039   7.106   4.340
  320    HA   ALA  48           HA       ALA  48  12.727   8.312   7.062
  321   1HB   ALA  48          HB1       ALA  48  14.571   6.039   6.854
  322   2HB   ALA  48          HB2       ALA  48  12.911   5.621   6.428
  323   3HB   ALA  48          HB3       ALA  48  13.265   6.324   8.007
  324    H    ARG  49           H        ARG  49  13.909  10.210   6.464
  325    HA   ARG  49           HA       ARG  49  16.434  10.186   5.132
  326   1HB   ARG  49          HB2       ARG  49  16.735  12.447   6.134
  327   2HB   ARG  49          HB1       ARG  49  15.140  12.250   5.404
  328   1HG   ARG  49          HG2       ARG  49  15.133  11.373   8.174
  329   2HG   ARG  49          HG1       ARG  49  15.683  13.043   8.039
  330   1HD   ARG  49          HD2       ARG  49  13.506  12.810   6.260
  331   2HD   ARG  49          HD1       ARG  49  13.009  11.987   7.739
  332    HE   ARG  49           HE       ARG  49  12.825  14.118   8.708
  333   1HH1  ARG  49          1HH1      ARG  49  13.054  15.382   5.953
  334   2HH1  ARG  49          2HH1      ARG  49  14.354  16.499   6.198
  335   1HH2  ARG  49          1HH2      ARG  49  15.427  15.015   9.143
  336   2HH2  ARG  49          2HH2      ARG  49  15.698  16.292   8.005
  337    H    GLY  50           H        GLY  50  18.467   9.712   5.878
  338   1HA   GLY  50          HA2       GLY  50  19.939  10.005   7.993
  339   2HA   GLY  50          HA1       GLY  50  18.711   9.006   8.770
  340    H    ASP  51           H        ASP  51  20.559   7.506   9.169
  341    HA   ASP  51           HA       ASP  51  21.830   6.191   6.905
  342   1HB   ASP  51          HB2       ASP  51  22.539   4.539   8.744
  343   2HB   ASP  51          HB1       ASP  51  23.093   6.205   8.920
  344    H    MET  52           H        MET  52  18.749   5.979   8.231
  345    HA   MET  52           HA       MET  52  18.403   3.091   7.777
  346   1HB   MET  52          HB2       MET  52  16.726   5.328   8.821
  347   2HB   MET  52          HB1       MET  52  15.886   3.953   8.103
  348   1HG   MET  52          HG2       MET  52  18.060   3.128   9.874
  349   2HG   MET  52          HG1       MET  52  16.838   4.087  10.709
  350   1HE   MET  52          HE1       MET  52  16.973  -0.061  10.345
  351   2HE   MET  52          HE2       MET  52  16.657   0.859  11.814
  352   3HE   MET  52          HE3       MET  52  18.012   1.303  10.780
  353    HA   PRO  53           HA       PRO  53  17.101   3.451   3.602
  354   1HB   PRO  53          HB2       PRO  53  15.452   1.252   3.468
  355   2HB   PRO  53          HB1       PRO  53  17.222   1.150   3.498
  356   1HG   PRO  53          HG2       PRO  53  15.271   0.547   5.670
  357   2HG   PRO  53          HG1       PRO  53  16.899  -0.099   5.413
  358   1HD   PRO  53          HD2       PRO  53  16.191   1.912   7.274
  359   2HD   PRO  53          HD1       PRO  53  17.841   1.494   6.765
  360    H    ASP  54           H        ASP  54  14.575   2.638   2.569
  361    HA   ASP  54           HA       ASP  54  12.626   4.357   4.037
  362   1HB   ASP  54          HB2       ASP  54  12.813   4.436   1.031
  363   2HB   ASP  54          HB1       ASP  54  12.078   5.610   2.122
  364    H    ASP  55           H        ASP  55  10.396   3.820   3.578
  365    HA   ASP  55           HA       ASP  55  10.025   0.979   2.949
  366   1HB   ASP  55          HB2       ASP  55   7.829   2.993   3.443
  367   2HB   ASP  55          HB1       ASP  55   7.811   1.258   3.760
  368    H    ARG  56           H        ARG  56   8.851   0.183   1.137
  369    HA   ARG  56           HA       ARG  56   8.322   2.223  -0.986
  370   1HB   ARG  56          HB2       ARG  56   9.620  -0.495  -1.150
  371   2HB   ARG  56          HB1       ARG  56   8.863   0.236  -2.565
  372   1HG   ARG  56          HG2       ARG  56  10.468   2.231  -1.292
  373   2HG   ARG  56          HG1       ARG  56  11.449   0.777  -1.479
  374   1HD   ARG  56          HD2       ARG  56   9.901   1.179  -3.870
  375   2HD   ARG  56          HD1       ARG  56  10.762   2.668  -3.482
  376    HE   ARG  56           HE       ARG  56  12.515   0.388  -3.248
  377   1HH1  ARG  56          1HH2      ARG  56  10.894   0.389  -5.947
  378   2HH1  ARG  56          2HH2      ARG  56  12.078   1.109  -6.987
  379   1HH2  ARG  56          1HH1      ARG  56  14.078   2.220  -4.380
  380   2HH2  ARG  56          2HH1      ARG  56  13.881   2.145  -6.100
  381    H    CYS  57           H        CYS  57   6.386   2.092  -1.993
  382    HA   CYS  57           HA       CYS  57   4.212   0.644  -0.866
  383   1HB   CYS  57          HB2       CYS  57   4.640   2.486  -3.053
  384   2HB   CYS  57          HB1       CYS  57   3.541   1.204  -3.537
  385    H    THR  58           H        THR  58   2.971  -1.077  -1.813
  386    HA   THR  58           HA       THR  58   4.651  -3.063  -3.223
  387    HB   THR  58           HB       THR  58   3.553  -4.074  -1.408
  388    HG1  THR  58           HG1      THR  58   2.604  -5.584  -2.508
  389   1HG2  THR  58          1HG2      THR  58   1.318  -2.232  -2.168
  390   2HG2  THR  58          2HG2      THR  58   2.033  -2.530  -0.584
  391   3HG2  THR  58          3HG2      THR  58   0.935  -3.713  -1.292
  392    H    GLY  59           H        GLY  59   2.022  -0.887  -3.804
  393   1HA   GLY  59          HA2       GLY  59   1.141  -0.284  -5.926
  394   2HA   GLY  59          HA1       GLY  59   2.032  -1.625  -6.645
  395    H    GLN  60           H        GLN  60   0.705  -3.168  -4.196
  396    HA   GLN  60           HA       GLN  60  -1.875  -3.664  -5.624
  397   1HB   GLN  60          HB2       GLN  60  -0.470  -5.743  -3.954
  398   2HB   GLN  60          HB1       GLN  60  -1.668  -5.975  -5.228
  399   1HG   GLN  60          HG2       GLN  60  -0.111  -5.522  -6.941
  400   2HG   GLN  60          HG1       GLN  60   1.018  -4.746  -5.832
  401   1HE2  GLN  60          1HE2      GLN  60  -0.601  -7.973  -6.107
  402   2HE2  GLN  60          2HE2      GLN  60   0.794  -8.861  -5.727
  403    H    SER  61           H        SER  61  -0.418  -2.604  -2.763
  404    HA   SER  61           HA       SER  61  -2.877  -3.294  -1.197
  405   1HB   SER  61          HB2       SER  61  -0.621  -4.101  -0.329
  406   2HB   SER  61          HB1       SER  61  -0.216  -2.407  -0.059
  407    HG   SER  61           HG       SER  61  -2.300  -3.946   1.090
  408    H    ALA  62           H        ALA  62  -3.368  -1.531   0.519
  409    HA   ALA  62           HA       ALA  62  -3.280   1.095  -0.879
  410   1HB   ALA  62          HB1       ALA  62  -5.249  -0.295   0.763
  411   2HB   ALA  62          HB2       ALA  62  -5.463   1.066  -0.333
  412   3HB   ALA  62          HB3       ALA  62  -4.960   1.349   1.331
  413    H    ASP  63           H        ASP  63  -2.493  -0.465   2.201
  414    HA   ASP  63           HA       ASP  63  -1.465   2.097   3.265
  415   1HB   ASP  63          HB2       ASP  63  -1.304  -0.643   4.545
  416   2HB   ASP  63          HB1       ASP  63  -1.137   0.925   5.336
  417    H    CYS  64           H        CYS  64   0.811   1.553   4.538
  418    HA   CYS  64           HA       CYS  64   2.572   0.373   2.432
  419   1HB   CYS  64          HB2       CYS  64   2.976   2.695   2.414
  420   2HB   CYS  64          HB1       CYS  64   2.966   2.816   4.164
  421    HA   PRO  65           HA       PRO  65   3.350  -2.191   6.023
  422   1HB   PRO  65          HB2       PRO  65   3.601  -4.443   4.486
  423   2HB   PRO  65          HB1       PRO  65   2.051  -3.853   5.090
  424   1HG   PRO  65          HG2       PRO  65   3.138  -3.822   2.333
  425   2HG   PRO  65          HG1       PRO  65   1.457  -3.685   2.874
  426   1HD   PRO  65          HD2       PRO  65   3.176  -1.563   2.026
  427   2HD   PRO  65          HD1       PRO  65   1.539  -1.408   2.692
  428    H    ARG  66           H        ARG  66   5.478  -1.600   6.566
  429    HA   ARG  66           HA       ARG  66   7.636  -3.042   5.184
  430   1HB   ARG  66          HB2       ARG  66   7.435  -0.025   5.200
  431   2HB   ARG  66          HB1       ARG  66   8.979  -0.859   5.011
  432   1HG   ARG  66          HG2       ARG  66   6.547  -1.212   3.235
  433   2HG   ARG  66          HG1       ARG  66   8.017  -0.335   2.810
  434   1HD   ARG  66          HD2       ARG  66   9.245  -2.553   3.363
  435   2HD   ARG  66          HD1       ARG  66   7.652  -3.298   3.227
  436    HE   ARG  66           HE       ARG  66   7.998  -1.718   0.917
  437   1HH1  ARG  66          1HH1      ARG  66   8.006  -4.872   1.770
  438   2HH1  ARG  66          2HH1      ARG  66   9.194  -5.406   0.629
  439   1HH2  ARG  66          1HH2      ARG  66  10.167  -2.198  -0.256
  440   2HH2  ARG  66          2HH2      ARG  66  10.419  -3.891  -0.519
  441    H    TYR  67           H        TYR  67   7.766  -0.128   7.221
  442    HA   TYR  67           HA       TYR  67   9.500  -1.520   9.123
  443   1HB   TYR  67          HB2       TYR  67   8.307   1.264   9.053
  444   2HB   TYR  67          HB1       TYR  67   9.326   0.692  10.373
  445    HD1  TYR  67           HD1      TYR  67  10.227  -0.857   7.283
  446    HD2  TYR  67           HD2      TYR  67  10.719   2.754   9.560
  447    HE1  TYR  67           HE1      TYR  67  12.245  -0.299   5.962
  448    HE2  TYR  67           HE2      TYR  67  12.741   3.309   8.237
  449    HH   TYR  67           HH       TYR  67  14.008   2.749   6.496
  450    H    HIS  68           H        HIS  68   6.197  -0.178   9.145
  451    HA   HIS  68           HA       HIS  68   5.732  -1.398  11.810
  452   1HB   HIS  68          HB2       HIS  68   4.937   0.930  11.337
  453   2HB   HIS  68          HB1       HIS  68   3.863   0.275  10.102
  454    HD1  HIS  68           HD1      HIS  68   1.656  -0.661  10.876
  455    HD2  HIS  68           HD2      HIS  68   4.301  -0.062  14.042
  456    HE1  HIS  68           HE1      HIS  68   0.345  -1.097  12.997
  Start of MODEL   18
    1   1H    GLY   1          HT1       GLY   1  -9.467 -10.747   4.492
    2   2H    GLY   1          HT2       GLY   1  -8.596  -9.849   3.343
    3   3H    GLY   1          HT3       GLY   1  -9.919  -9.150   4.149
    4   1HA   GLY   1          HA1       GLY   1  -7.920 -10.139   5.953
    5   2HA   GLY   1          HA2       GLY   1  -7.318  -8.884   4.870
    6    H    LYS   2           H        LYS   2  -9.390  -7.196   4.533
    7    HA   LYS   2           HA       LYS   2 -10.355  -6.509   7.273
    8   1HB   LYS   2          HB2       LYS   2  -8.950  -4.705   5.291
    9   2HB   LYS   2          HB1       LYS   2  -9.906  -4.080   6.635
   10   1HG   LYS   2          HG2       LYS   2  -8.390  -5.850   7.985
   11   2HG   LYS   2          HG1       LYS   2  -7.276  -5.474   6.668
   12   1HD   LYS   2          HD2       LYS   2  -8.654  -3.388   8.383
   13   2HD   LYS   2          HD1       LYS   2  -7.005  -3.958   8.644
   14   1HE   LYS   2          HE2       LYS   2  -7.732  -3.016   5.904
   15   2HE   LYS   2          HE1       LYS   2  -7.506  -1.798   7.160
   16   1HZ   LYS   2          HZ1       LYS   2  -5.524  -2.911   5.714
   17   2HZ   LYS   2          HZ2       LYS   2  -5.482  -3.848   7.131
   18   3HZ   LYS   2          HZ3       LYS   2  -5.317  -2.159   7.219
   19    H    GLU   3           H        GLU   3 -12.382  -5.437   7.305
   20    HA   GLU   3           HA       GLU   3 -13.874  -5.620   4.733
   21   1HB   GLU   3          HB2       GLU   3 -14.664  -5.727   7.630
   22   2HB   GLU   3          HB1       GLU   3 -15.858  -5.257   6.419
   23   1HG   GLU   3          HG2       GLU   3 -14.918  -7.405   5.163
   24   2HG   GLU   3          HG1       GLU   3 -14.483  -7.885   6.803
   25    H    CYS   4           H        CYS   4 -12.132  -3.331   6.175
   26    HA   CYS   4           HA       CYS   4 -14.041  -1.196   5.352
   27   1HB   CYS   4          HB2       CYS   4 -13.818  -1.423   7.881
   28   2HB   CYS   4          HB1       CYS   4 -12.158  -0.928   7.686
   29    H    ASP   5           H        ASP   5 -12.930  -1.018   3.365
   30    HA   ASP   5           HA       ASP   5 -10.115  -0.799   3.042
   31   1HB   ASP   5          HB2       ASP   5 -11.493  -1.244   1.117
   32   2HB   ASP   5          HB1       ASP   5 -12.431   0.227   1.379
   33    H    CYS   6           H        CYS   6 -12.431   1.428   4.311
   34    HA   CYS   6           HA       CYS   6 -10.462   3.655   3.963
   35   1HB   CYS   6          HB2       CYS   6 -12.257   5.197   4.166
   36   2HB   CYS   6          HB1       CYS   6 -12.874   3.919   3.122
   37    H    SER   7           H        SER   7 -10.650   5.265   5.939
   38    HA   SER   7           HA       SER   7 -10.754   3.650   8.453
   39   1HB   SER   7          HB2       SER   7  -8.425   4.522   7.367
   40   2HB   SER   7          HB1       SER   7  -8.855   5.928   8.340
   41    HG   SER   7           HG       SER   7  -9.189   4.373  10.087
   42    H    SER   8           H        SER   8 -12.252   6.040   6.834
   43    HA   SER   8           HA       SER   8 -13.113   7.332   9.361
   44   1HB   SER   8          HB2       SER   8 -12.006   8.765   6.942
   45   2HB   SER   8          HB1       SER   8 -13.065   9.569   8.097
   46    HG   SER   8           HG       SER   8 -10.812   9.793   8.582
   47    HA   PRO   9           HA       PRO   9 -16.998   6.774   7.326
   48   1HB   PRO   9          HB2       PRO   9 -18.516   8.167   9.145
   49   2HB   PRO   9          HB1       PRO   9 -17.900   6.531   9.434
   50   1HG   PRO   9          HG2       PRO   9 -16.962   9.118  10.579
   51   2HG   PRO   9          HG1       PRO   9 -16.835   7.483  11.248
   52   1HD   PRO   9          HD2       PRO   9 -14.756   8.925   9.970
   53   2HD   PRO   9          HD1       PRO   9 -14.741   7.192  10.364
   54    H    GLU  10           H        GLU  10 -15.455   9.801   7.815
   55    HA   GLU  10           HA       GLU  10 -17.566  11.294   6.350
   56   1HB   GLU  10          HB2       GLU  10 -15.271  12.020   8.096
   57   2HB   GLU  10          HB1       GLU  10 -15.634  13.137   6.782
   58   1HG   GLU  10          HG2       GLU  10 -18.079  12.287   8.071
   59   2HG   GLU  10          HG1       GLU  10 -16.960  12.954   9.261
   60    H    ASN  11           H        ASN  11 -15.692   9.206   5.183
   61    HA   ASN  11           HA       ASN  11 -14.114  10.869   3.302
   62   1HB   ASN  11          HB2       ASN  11 -13.214   8.756   4.472
   63   2HB   ASN  11          HB1       ASN  11 -14.244   7.852   3.362
   64   1HD2  ASN  11          1HD2      ASN  11 -11.163   9.272   3.682
   65   2HD2  ASN  11          2HD2      ASN  11 -10.723   9.262   2.042
   66    HA   PRO  12           HA       PRO  12 -17.287  10.387   0.252
   67   1HB   PRO  12          HB2       PRO  12 -15.824  11.335  -1.878
   68   2HB   PRO  12          HB1       PRO  12 -16.543  12.384  -0.642
   69   1HG   PRO  12          HG2       PRO  12 -13.686  11.604  -1.015
   70   2HG   PRO  12          HG1       PRO  12 -14.363  13.063  -0.273
   71   1HD   PRO  12          HD2       PRO  12 -13.320  10.837   1.120
   72   2HD   PRO  12          HD1       PRO  12 -14.310  12.133   1.823
   73    H    CYS  13           H        CYS  13 -14.133   8.923   0.078
   74    HA   CYS  13           HA       CYS  13 -14.991   7.120  -2.123
   75   1HB   CYS  13          HB2       CYS  13 -12.391   8.046  -1.020
   76   2HB   CYS  13          HB1       CYS  13 -12.441   6.382  -1.601
   77    H    CYS  14           H        CYS  14 -15.932   7.021   0.765
   78    HA   CYS  14           HA       CYS  14 -15.116   4.188   1.258
   79   1HB   CYS  14          HB2       CYS  14 -14.000   5.507   2.939
   80   2HB   CYS  14          HB1       CYS  14 -15.472   6.416   3.278
   81    H    ASP  15           H        ASP  15 -16.805   2.817   1.487
   82    HA   ASP  15           HA       ASP  15 -19.541   3.938   1.460
   83   1HB   ASP  15          HB2       ASP  15 -18.628   1.927   0.029
   84   2HB   ASP  15          HB1       ASP  15 -18.913   0.996   1.501
   85    H    ALA  16           H        ALA  16 -19.771   4.690   3.599
   86    HA   ALA  16           HA       ALA  16 -18.978   3.405   5.969
   87   1HB   ALA  16          HB1       ALA  16 -20.099   5.730   5.601
   88   2HB   ALA  16          HB2       ALA  16 -20.431   4.864   7.101
   89   3HB   ALA  16          HB3       ALA  16 -21.615   4.849   5.793
   90    H    ALA  17           H        ALA  17 -21.754   2.772   3.898
   91    HA   ALA  17           HA       ALA  17 -23.369   1.239   5.591
   92   1HB   ALA  17          HB1       ALA  17 -24.363   0.398   3.669
   93   2HB   ALA  17          HB2       ALA  17 -22.822   0.199   2.835
   94   3HB   ALA  17          HB3       ALA  17 -23.536   1.803   2.999
   95    H    THR  18           H        THR  18 -20.319   0.361   4.032
   96    HA   THR  18           HA       THR  18 -20.319  -2.113   5.703
   97    HB   THR  18           HB       THR  18 -20.779  -2.812   3.427
   98    HG1  THR  18           HG1      THR  18 -19.319  -4.310   3.546
   99   1HG2  THR  18          1HG2      THR  18 -20.080  -1.529   1.721
  100   2HG2  THR  18          2HG2      THR  18 -18.429  -2.063   2.035
  101   3HG2  THR  18          3HG2      THR  18 -19.044  -0.602   2.807
  102    H    CYS  19           H        CYS  19 -18.832   0.797   5.207
  103    HA   CYS  19           HA       CYS  19 -16.749   1.568   6.086
  104   1HB   CYS  19          HB2       CYS  19 -17.179  -0.724   7.480
  105   2HB   CYS  19          HB1       CYS  19 -15.666  -1.089   6.654
  106    H    LYS  20           H        LYS  20 -17.262  -0.355   3.452
  107    HA   LYS  20           HA       LYS  20 -14.407  -0.521   2.716
  108   1HB   LYS  20          HB2       LYS  20 -16.834  -1.395   1.150
  109   2HB   LYS  20          HB1       LYS  20 -15.152  -1.771   0.769
  110   1HG   LYS  20          HG2       LYS  20 -14.989  -2.864   3.050
  111   2HG   LYS  20          HG1       LYS  20 -16.740  -2.685   3.179
  112   1HD   LYS  20          HD2       LYS  20 -17.113  -4.086   1.269
  113   2HD   LYS  20          HD1       LYS  20 -15.401  -4.071   0.844
  114   1HE   LYS  20          HE2       LYS  20 -14.819  -5.521   2.571
  115   2HE   LYS  20          HE1       LYS  20 -16.228  -5.090   3.542
  116   1HZ   LYS  20          HZ1       LYS  20 -16.160  -6.766   1.097
  117   2HZ   LYS  20          HZ2       LYS  20 -17.600  -6.173   1.777
  118   3HZ   LYS  20          HZ3       LYS  20 -16.614  -7.236   2.664
  119    H    LEU  21           H        LEU  21 -14.924  -0.187  -0.145
  120    HA   LEU  21           HA       LEU  21 -14.703   2.739  -0.197
  121   1HB   LEU  21          HB2       LEU  21 -14.396   0.564  -2.260
  122   2HB   LEU  21          HB1       LEU  21 -14.418   2.269  -2.714
  123    HG   LEU  21           HG       LEU  21 -12.657   1.911  -0.468
  124   1HD1  LEU  21          1HD1      LEU  21 -12.296  -0.364  -1.125
  125   2HD1  LEU  21          2HD1      LEU  21 -10.932   0.553  -1.762
  126   3HD1  LEU  21          3HD1      LEU  21 -12.245   0.070  -2.834
  127   1HD2  LEU  21          1HD2      LEU  21 -12.672   3.003  -3.223
  128   2HD2  LEU  21          2HD2      LEU  21 -11.086   2.589  -2.571
  129   3HD2  LEU  21          3HD2      LEU  21 -12.114   3.743  -1.722
  130    H    ARG  22           H        ARG  22 -16.165   4.127  -1.152
  131    HA   ARG  22           HA       ARG  22 -18.872   3.035  -1.566
  132   1HB   ARG  22          HB2       ARG  22 -19.217   4.978  -0.418
  133   2HB   ARG  22          HB1       ARG  22 -17.718   5.704  -0.982
  134   1HG   ARG  22          HG2       ARG  22 -18.756   6.190  -3.161
  135   2HG   ARG  22          HG1       ARG  22 -20.248   5.411  -2.634
  136   1HD   ARG  22          HD2       ARG  22 -20.330   7.073  -0.726
  137   2HD   ARG  22          HD1       ARG  22 -18.993   7.924  -1.500
  138    HE   ARG  22           HE       ARG  22 -20.490   8.391  -3.402
  139   1HH1  ARG  22          1HH1      ARG  22 -22.024   6.337  -1.173
  140   2HH1  ARG  22          2HH1      ARG  22 -23.569   7.112  -1.283
  141   1HH2  ARG  22          1HH2      ARG  22 -22.429   9.690  -3.303
  142   2HH2  ARG  22          2HH2      ARG  22 -23.800   9.010  -2.489
  143    HA   PRO  23           HA       PRO  23 -18.015   4.799  -5.895
  144   1HB   PRO  23          HB2       PRO  23 -15.579   5.955  -6.389
  145   2HB   PRO  23          HB1       PRO  23 -16.975   6.855  -5.772
  146   1HG   PRO  23          HG2       PRO  23 -14.517   5.998  -4.333
  147   2HG   PRO  23          HG1       PRO  23 -15.626   7.328  -3.963
  148   1HD   PRO  23          HD2       PRO  23 -15.536   4.786  -2.684
  149   2HD   PRO  23          HD1       PRO  23 -16.779   6.036  -2.473
  150    H    GLY  24           H        GLY  24 -16.701   4.025  -7.846
  151   1HA   GLY  24          HA2       GLY  24 -15.693   1.360  -7.361
  152   2HA   GLY  24          HA1       GLY  24 -15.641   2.208  -8.908
  153    H    ALA  25           H        ALA  25 -14.162   2.581  -5.669
  154    HA   ALA  25           HA       ALA  25 -11.579   3.196  -7.046
  155   1HB   ALA  25          HB1       ALA  25 -11.931   5.096  -5.792
  156   2HB   ALA  25          HB2       ALA  25 -11.155   4.106  -4.558
  157   3HB   ALA  25          HB3       ALA  25 -12.912   4.252  -4.595
  158    H    GLN  26           H        GLN  26  -9.716   2.115  -6.340
  159    HA   GLN  26           HA       GLN  26 -10.165  -0.468  -5.051
  160   1HB   GLN  26          HB2       GLN  26  -8.215   0.656  -6.766
  161   2HB   GLN  26          HB1       GLN  26  -7.374   0.254  -5.269
  162   1HG   GLN  26          HG2       GLN  26  -7.259  -1.819  -6.232
  163   2HG   GLN  26          HG1       GLN  26  -8.881  -1.970  -5.559
  164   1HE2  GLN  26          1HE2      GLN  26  -7.293  -0.697  -8.541
  165   2HE2  GLN  26          2HE2      GLN  26  -8.518  -1.220  -9.592
  166    H    CYS  27           H        CYS  27  -9.228   2.705  -4.086
  167    HA   CYS  27           HA       CYS  27  -9.004   1.815  -1.285
  168   1HB   CYS  27          HB2       CYS  27  -6.849   2.928  -0.943
  169   2HB   CYS  27          HB1       CYS  27  -6.687   1.682  -2.181
  170    H    GLY  28           H        GLY  28  -9.524   3.489   0.166
  171   1HA   GLY  28          HA2       GLY  28 -10.584   5.945  -1.139
  172   2HA   GLY  28          HA1       GLY  28 -11.106   5.336   0.428
  173    H    GLU  29           H        GLU  29  -8.426   4.791   1.372
  174    HA   GLU  29           HA       GLU  29  -7.094   7.426   1.320
  175   1HB   GLU  29          HB2       GLU  29  -7.199   7.692   3.723
  176   2HB   GLU  29          HB1       GLU  29  -8.837   7.511   3.109
  177   1HG   GLU  29          HG2       GLU  29  -9.135   5.477   4.098
  178   2HG   GLU  29          HG1       GLU  29  -7.459   4.992   3.847
  179    H    GLY  30           H        GLY  30  -4.922   7.309   2.313
  180   1HA   GLY  30          HA2       GLY  30  -3.549   5.347   3.545
  181   2HA   GLY  30          HA1       GLY  30  -3.757   4.616   1.952
  182    H    LEU  31           H        LEU  31  -1.222   5.423   3.167
  183    HA   LEU  31           HA       LEU  31  -0.278   7.920   2.185
  184   1HB   LEU  31          HB2       LEU  31   0.910   5.444   3.226
  185   2HB   LEU  31          HB1       LEU  31   1.924   6.255   2.042
  186    HG   LEU  31           HG       LEU  31   0.646   7.730   4.348
  187   1HD1  LEU  31          1HD1      LEU  31   3.231   6.189   4.191
  188   2HD1  LEU  31          2HD1      LEU  31   2.032   6.207   5.486
  189   3HD1  LEU  31          3HD1      LEU  31   3.090   7.597   5.244
  190   1HD2  LEU  31          1HD2      LEU  31   1.612   9.529   3.393
  191   2HD2  LEU  31          2HD2      LEU  31   2.061   8.513   2.023
  192   3HD2  LEU  31          3HD2      LEU  31   3.179   8.718   3.372
  193    H    CYS  32           H        CYS  32  -0.924   4.906   0.564
  194    HA   CYS  32           HA       CYS  32   0.350   6.024  -1.897
  195   1HB   CYS  32          HB2       CYS  32   0.251   3.311  -0.741
  196   2HB   CYS  32          HB1       CYS  32  -0.041   3.390  -2.479
  197    H    CYS  33           H        CYS  33  -2.501   6.302  -0.706
  198    HA   CYS  33           HA       CYS  33  -3.996   5.125  -2.997
  199   1HB   CYS  33          HB2       CYS  33  -4.906   4.713  -0.719
  200   2HB   CYS  33          HB1       CYS  33  -5.086   6.449  -0.494
  201    H    GLU  34           H        GLU  34  -3.539   6.562  -4.661
  202    HA   GLU  34           HA       GLU  34  -4.145   9.441  -4.185
  203   1HB   GLU  34          HB2       GLU  34  -2.906   8.382  -6.711
  204   2HB   GLU  34          HB1       GLU  34  -2.697   9.958  -5.948
  205   1HG   GLU  34          HG2       GLU  34  -1.645   8.567  -3.987
  206   2HG   GLU  34          HG1       GLU  34  -1.438   7.328  -5.224
  207    H    GLN  35           H        GLN  35  -5.972  10.280  -5.100
  208    HA   GLN  35           HA       GLN  35  -7.944  10.382  -6.357
  209   1HB   GLN  35          HB2       GLN  35  -6.154  10.061  -8.215
  210   2HB   GLN  35          HB1       GLN  35  -6.728   8.393  -8.270
  211   1HG   GLN  35          HG2       GLN  35  -7.979   9.655  -9.911
  212   2HG   GLN  35          HG1       GLN  35  -9.064   9.288  -8.571
  213   1HE2  GLN  35          1HE2      GLN  35  -6.876  11.901  -9.742
  214   2HE2  GLN  35          2HE2      GLN  35  -7.793  13.167  -9.081
  215    H    CYS  36           H        CYS  36  -7.456   8.282  -4.303
  216    HA   CYS  36           HA       CYS  36  -8.635   6.464  -3.420
  217   1HB   CYS  36          HB2       CYS  36 -10.515   7.070  -5.720
  218   2HB   CYS  36          HB1       CYS  36 -10.871   6.000  -4.362
  219    H    LYS  37           H        LYS  37  -6.533   6.067  -5.405
  220    HA   LYS  37           HA       LYS  37  -7.375   3.376  -6.378
  221   1HB   LYS  37          HB2       LYS  37  -7.379   4.989  -8.278
  222   2HB   LYS  37          HB1       LYS  37  -5.692   5.367  -7.933
  223   1HG   LYS  37          HG2       LYS  37  -5.908   3.694  -9.754
  224   2HG   LYS  37          HG1       LYS  37  -5.058   3.034  -8.356
  225   1HD   LYS  37          HD2       LYS  37  -6.706   1.531  -7.916
  226   2HD   LYS  37          HD1       LYS  37  -7.983   2.699  -8.252
  227   1HE   LYS  37          HE2       LYS  37  -8.169   1.045  -9.961
  228   2HE   LYS  37          HE1       LYS  37  -7.385   2.429 -10.726
  229   1HZ   LYS  37          HZ1       LYS  37  -6.325   0.234 -11.178
  230   2HZ   LYS  37          HZ2       LYS  37  -5.894   0.159  -9.536
  231   3HZ   LYS  37          HZ3       LYS  37  -5.279   1.397 -10.523
  232    H    PHE  38           H        PHE  38  -5.651   1.819  -6.402
  233    HA   PHE  38           HA       PHE  38  -3.674   2.220  -4.352
  234   1HB   PHE  38          HB2       PHE  38  -4.045   0.108  -6.482
  235   2HB   PHE  38          HB1       PHE  38  -2.669   0.081  -5.384
  236    HD1  PHE  38           HD1      PHE  38  -3.887   1.100  -2.879
  237    HD2  PHE  38           HD2      PHE  38  -5.393  -1.692  -5.775
  238    HE1  PHE  38           HE1      PHE  38  -5.293   0.044  -1.131
  239    HE2  PHE  38           HE2      PHE  38  -6.796  -2.748  -4.029
  240    HZ   PHE  38           HZ       PHE  38  -6.749  -1.880  -1.705
  241    H    SER  39           H        SER  39  -1.595   2.943  -4.517
  242    HA   SER  39           HA       SER  39  -0.767   4.334  -6.906
  243   1HB   SER  39          HB2       SER  39   0.127   4.103  -4.193
  244   2HB   SER  39          HB1       SER  39   1.493   3.770  -5.252
  245    HG   SER  39           HG       SER  39   0.787   5.730  -6.405
  246    H    ARG  40           H        ARG  40   1.788   3.698  -7.493
  247    HA   ARG  40           HA       ARG  40   1.486   1.028  -8.702
  248   1HB   ARG  40          HB2       ARG  40   3.139   3.425  -9.188
  249   2HB   ARG  40          HB1       ARG  40   3.975   1.895  -9.454
  250   1HG   ARG  40          HG2       ARG  40   2.782   2.771 -11.493
  251   2HG   ARG  40          HG1       ARG  40   2.268   1.157 -11.001
  252   1HD   ARG  40          HD2       ARG  40   0.260   1.975 -10.029
  253   2HD   ARG  40          HD1       ARG  40   0.832   3.642 -10.060
  254    HE   ARG  40           HE       ARG  40   0.221   2.131 -12.569
  255   1HH1  ARG  40          1HH2      ARG  40   1.122   5.095 -11.299
  256   2HH1  ARG  40          2HH2      ARG  40  -0.081   6.021 -12.135
  257   1HH2  ARG  40          1HH1      ARG  40  -1.769   3.239 -13.332
  258   2HH2  ARG  40          2HH1      ARG  40  -1.718   4.969 -13.286
  259    H    ALA  41           H        ALA  41   3.262  -0.560  -8.541
  260    HA   ALA  41           HA       ALA  41   4.059  -0.986  -5.798
  261   1HB   ALA  41          HB1       ALA  41   3.660  -2.701  -7.770
  262   2HB   ALA  41          HB2       ALA  41   4.863  -3.051  -6.527
  263   3HB   ALA  41          HB3       ALA  41   5.371  -2.414  -8.091
  264    H    GLY  42           H        GLY  42   5.783  -0.070  -4.816
  265   1HA   GLY  42          HA2       GLY  42   8.235   0.269  -4.804
  266   2HA   GLY  42          HA1       GLY  42   8.121   0.702  -6.511
  267    H    LYS  43           H        LYS  43   5.924   1.749  -3.939
  268    HA   LYS  43           HA       LYS  43   6.532   4.571  -4.674
  269   1HB   LYS  43          HB2       LYS  43   4.151   3.700  -4.516
  270   2HB   LYS  43          HB1       LYS  43   4.414   3.558  -2.782
  271   1HG   LYS  43          HG2       LYS  43   4.835   6.142  -4.291
  272   2HG   LYS  43          HG1       LYS  43   3.313   5.712  -3.514
  273   1HD   LYS  43          HD2       LYS  43   4.793   5.299  -1.403
  274   2HD   LYS  43          HD1       LYS  43   5.966   6.313  -2.243
  275   1HE   LYS  43          HE2       LYS  43   4.708   7.850  -0.963
  276   2HE   LYS  43          HE1       LYS  43   4.005   7.966  -2.576
  277   1HZ   LYS  43          HZ1       LYS  43   2.939   6.116  -0.530
  278   2HZ   LYS  43          HZ2       LYS  43   2.188   6.662  -1.952
  279   3HZ   LYS  43          HZ3       LYS  43   2.411   7.724  -0.645
  280    H    ILE  44           H        ILE  44   8.008   5.638  -3.443
  281    HA   ILE  44           HA       ILE  44   8.982   4.642  -0.932
  282    HB   ILE  44           HB       ILE  44  10.295   6.166  -2.382
  283   1HG1  ILE  44          2HG1      ILE  44  11.157   7.596  -0.599
  284   2HG1  ILE  44          1HG1      ILE  44   9.664   7.399   0.319
  285   1HG2  ILE  44          1HG2      ILE  44   8.847   8.565  -1.448
  286   2HG2  ILE  44          2HG2      ILE  44   7.964   7.578  -2.613
  287   3HG2  ILE  44          3HG2      ILE  44   9.554   8.220  -3.026
  288   1HD1  ILE  44          1HD1      ILE  44  10.087   4.992   0.534
  289   2HD1  ILE  44          2HD1      ILE  44  11.458   5.908   1.160
  290   3HD1  ILE  44          3HD1      ILE  44  11.556   5.150  -0.430
  291    H    CYS  45           H        CYS  45   6.659   4.330  -0.102
  292    HA   CYS  45           HA       CYS  45   5.206   6.691   0.827
  293   1HB   CYS  45          HB2       CYS  45   3.820   5.053   2.010
  294   2HB   CYS  45          HB1       CYS  45   4.034   4.588   0.329
  295    H    ARG  46           H        ARG  46   7.827   4.777   1.911
  296    HA   ARG  46           HA       ARG  46   7.883   6.351   4.439
  297   1HB   ARG  46          HB2       ARG  46   7.229   3.579   4.317
  298   2HB   ARG  46          HB1       ARG  46   8.840   3.714   5.019
  299   1HG   ARG  46          HG2       ARG  46   8.082   5.136   6.763
  300   2HG   ARG  46          HG1       ARG  46   6.554   5.458   5.944
  301   1HD   ARG  46          HD2       ARG  46   5.783   3.212   6.326
  302   2HD   ARG  46          HD1       ARG  46   7.372   2.703   6.896
  303    HE   ARG  46           HE       ARG  46   6.523   4.817   8.574
  304   1HH1  ARG  46          1HH1      ARG  46   7.341   2.085   9.528
  305   2HH1  ARG  46          2HH1      ARG  46   5.875   1.504  10.244
  306   1HH2  ARG  46          1HH2      ARG  46   3.870   3.873   8.697
  307   2HH2  ARG  46          2HH2      ARG  46   3.908   2.515   9.770
  308    H    ILE  47           H        ILE  47   9.945   6.983   4.989
  309    HA   ILE  47           HA       ILE  47  12.090   6.302   3.080
  310    HB   ILE  47           HB       ILE  47  11.682   8.666   3.829
  311   1HG1  ILE  47          2HG1      ILE  47  14.252   8.796   4.733
  312   2HG1  ILE  47          1HG1      ILE  47  14.249   7.196   3.991
  313   1HG2  ILE  47          1HG2      ILE  47  12.601   7.494   6.468
  314   2HG2  ILE  47          2HG2      ILE  47  11.071   8.306   6.135
  315   3HG2  ILE  47          3HG2      ILE  47  12.576   9.224   6.128
  316   1HD1  ILE  47          1HD1      ILE  47  12.894   9.224   2.360
  317   2HD1  ILE  47          2HD1      ILE  47  14.124   8.047   1.897
  318   3HD1  ILE  47          3HD1      ILE  47  14.600   9.578   2.633
  319    H    ALA  48           H        ALA  48  14.073   5.339   3.726
  320    HA   ALA  48           HA       ALA  48  13.896   3.299   5.714
  321   1HB   ALA  48          HB1       ALA  48  16.576   4.356   4.924
  322   2HB   ALA  48          HB2       ALA  48  15.554   3.685   3.654
  323   3HB   ALA  48          HB3       ALA  48  16.016   2.688   5.033
  324    H    ARG  49           H        ARG  49  14.366   3.327   7.881
  325    HA   ARG  49           HA       ARG  49  15.696   5.774   8.968
  326   1HB   ARG  49          HB2       ARG  49  13.249   4.321   9.993
  327   2HB   ARG  49          HB1       ARG  49  14.195   5.410  11.008
  328   1HG   ARG  49          HG2       ARG  49  13.174   7.192  10.095
  329   2HG   ARG  49          HG1       ARG  49  13.698   6.693   8.487
  330   1HD   ARG  49          HD2       ARG  49  11.430   6.533   8.157
  331   2HD   ARG  49          HD1       ARG  49  11.700   4.928   8.836
  332    HE   ARG  49           HE       ARG  49  10.190   5.670  10.487
  333   1HH1  ARG  49          1HH2      ARG  49  10.478   8.525   9.118
  334   2HH1  ARG  49          2HH2      ARG  49  10.800   9.468  10.534
  335   1HH2  ARG  49          1HH1      ARG  49  11.452   6.715  12.542
  336   2HH2  ARG  49          2HH1      ARG  49  11.347   8.443  12.475
  337    H    GLY  50           H        GLY  50  17.100   3.442   8.329
  338   1HA   GLY  50          HA2       GLY  50  18.529   2.879  10.680
  339   2HA   GLY  50          HA1       GLY  50  17.311   1.611  10.541
  340    H    ASP  51           H        ASP  51  19.206   0.151  10.241
  341    HA   ASP  51           HA       ASP  51  20.964   0.405   7.990
  342   1HB   ASP  51          HB2       ASP  51  20.950  -1.214  10.139
  343   2HB   ASP  51          HB1       ASP  51  20.243  -2.317   8.957
  344    H    MET  52           H        MET  52  17.671  -0.518   8.255
  345    HA   MET  52           HA       MET  52  17.587  -2.175   5.861
  346   1HB   MET  52          HB2       MET  52  15.127  -1.956   6.098
  347   2HB   MET  52          HB1       MET  52  15.886  -2.418   7.621
  348   1HG   MET  52          HG2       MET  52  15.995   0.266   7.875
  349   2HG   MET  52          HG1       MET  52  14.557   0.130   6.863
  350   1HE   MET  52          HE1       MET  52  13.262   0.918  10.250
  351   2HE   MET  52          HE2       MET  52  12.295   0.517   8.833
  352   3HE   MET  52          HE3       MET  52  13.786   1.437   8.641
  353    HA   PRO  53           HA       PRO  53  17.263   0.997   2.854
  354   1HB   PRO  53          HB2       PRO  53  15.671  -0.267   1.002
  355   2HB   PRO  53          HB1       PRO  53  17.378  -0.663   1.259
  356   1HG   PRO  53          HG2       PRO  53  14.952  -2.184   2.092
  357   2HG   PRO  53          HG1       PRO  53  16.586  -2.776   1.749
  358   1HD   PRO  53          HD2       PRO  53  15.478  -2.369   4.320
  359   2HD   PRO  53          HD1       PRO  53  17.197  -2.632   3.955
  360    H    ASP  54           H        ASP  54  15.441   2.091   1.397
  361    HA   ASP  54           HA       ASP  54  13.528   3.290   3.141
  362   1HB   ASP  54          HB2       ASP  54  13.262   3.146   0.132
  363   2HB   ASP  54          HB1       ASP  54  12.708   4.427   1.211
  364    H    ASP  55           H        ASP  55  11.062   3.280   2.177
  365    HA   ASP  55           HA       ASP  55  10.269   0.397   2.034
  366   1HB   ASP  55          HB2       ASP  55   9.781   1.579   4.241
  367   2HB   ASP  55          HB1       ASP  55   8.647   2.590   3.343
  368    H    ARG  56           H        ARG  56   9.565   0.094  -0.029
  369    HA   ARG  56           HA       ARG  56   8.108   2.310  -1.357
  370   1HB   ARG  56          HB2       ARG  56   8.889  -0.245  -2.726
  371   2HB   ARG  56          HB1       ARG  56   8.708   1.372  -3.407
  372   1HG   ARG  56          HG2       ARG  56  10.696   1.589  -1.413
  373   2HG   ARG  56          HG1       ARG  56  11.076   0.129  -2.328
  374   1HD   ARG  56          HD2       ARG  56  10.426   1.816  -4.356
  375   2HD   ARG  56          HD1       ARG  56  11.097   2.961  -3.195
  376    HE   ARG  56           HE       ARG  56  12.746   0.575  -3.629
  377   1HH1  ARG  56          1HH1      ARG  56  13.531   3.474  -2.873
  378   2HH1  ARG  56          2HH1      ARG  56  14.386   3.945  -4.302
  379   1HH2  ARG  56          1HH2      ARG  56  13.182   1.312  -6.211
  380   2HH2  ARG  56          2HH2      ARG  56  14.191   2.720  -6.193
  381    H    CYS  57           H        CYS  57   5.948   2.088  -1.975
  382    HA   CYS  57           HA       CYS  57   4.304   0.176  -0.628
  383   1HB   CYS  57          HB2       CYS  57   3.791   1.916  -3.049
  384   2HB   CYS  57          HB1       CYS  57   2.561   0.853  -2.381
  385    H    THR  58           H        THR  58   3.161  -1.646  -1.500
  386    HA   THR  58           HA       THR  58   4.743  -3.212  -3.385
  387    HB   THR  58           HB       THR  58   3.274  -5.018  -2.846
  388    HG1  THR  58           HG1      THR  58   1.540  -2.914  -2.209
  389   1HG2  THR  58          1HG2      THR  58   4.702  -3.783  -0.955
  390   2HG2  THR  58          2HG2      THR  58   3.678  -5.171  -0.583
  391   3HG2  THR  58          3HG2      THR  58   3.099  -3.536  -0.263
  392    H    GLY  59           H        GLY  59   2.434  -0.840  -3.777
  393   1HA   GLY  59          HA2       GLY  59   1.583  -0.113  -5.891
  394   2HA   GLY  59          HA1       GLY  59   1.960  -1.700  -6.561
  395    H    GLN  60           H        GLN  60   0.621  -2.937  -4.115
  396    HA   GLN  60           HA       GLN  60  -2.173  -2.618  -5.120
  397   1HB   GLN  60          HB2       GLN  60  -0.671  -4.935  -3.914
  398   2HB   GLN  60          HB1       GLN  60  -2.434  -4.888  -3.863
  399   1HG   GLN  60          HG2       GLN  60  -1.444  -4.186  -6.504
  400   2HG   GLN  60          HG1       GLN  60  -0.853  -5.770  -6.003
  401   1HE2  GLN  60          1HE2      GLN  60  -2.503  -7.421  -5.424
  402   2HE2  GLN  60          2HE2      GLN  60  -4.091  -7.276  -6.004
  403    H    SER  61           H        SER  61  -0.112  -2.059  -2.451
  404    HA   SER  61           HA       SER  61  -2.311  -2.114  -0.475
  405   1HB   SER  61          HB2       SER  61   0.600  -2.078  -0.386
  406   2HB   SER  61          HB1       SER  61  -0.094  -0.882   0.703
  407    HG   SER  61           HG       SER  61  -0.459  -2.526   1.954
  408    H    ALA  62           H        ALA  62  -3.243  -0.258   0.421
  409    HA   ALA  62           HA       ALA  62  -2.831   2.233  -1.133
  410   1HB   ALA  62          HB1       ALA  62  -4.795   2.781   0.719
  411   2HB   ALA  62          HB2       ALA  62  -5.013   1.051   0.453
  412   3HB   ALA  62          HB3       ALA  62  -5.091   2.170  -0.908
  413    H    ASP  63           H        ASP  63  -2.499   0.963   2.144
  414    HA   ASP  63           HA       ASP  63  -1.578   3.598   3.125
  415   1HB   ASP  63          HB2       ASP  63  -1.944   0.922   4.507
  416   2HB   ASP  63          HB1       ASP  63  -1.365   2.381   5.313
  417    H    CYS  64           H        CYS  64   0.464   2.947   4.843
  418    HA   CYS  64           HA       CYS  64   2.455   1.587   3.087
  419   1HB   CYS  64          HB2       CYS  64   2.792   3.994   2.930
  420   2HB   CYS  64          HB1       CYS  64   2.891   4.130   4.678
  421    HA   PRO  65           HA       PRO  65   2.873  -0.582   6.942
  422   1HB   PRO  65          HB2       PRO  65   3.947  -2.789   5.729
  423   2HB   PRO  65          HB1       PRO  65   2.210  -2.497   5.840
  424   1HG   PRO  65          HG2       PRO  65   4.010  -2.324   3.488
  425   2HG   PRO  65          HG1       PRO  65   2.251  -2.533   3.539
  426   1HD   PRO  65          HD2       PRO  65   3.672  -0.122   2.989
  427   2HD   PRO  65          HD1       PRO  65   1.921  -0.295   3.219
  428    H    ARG  66           H        ARG  66   5.099  -2.337   7.149
  429    HA   ARG  66           HA       ARG  66   7.405  -0.483   6.711
  430   1HB   ARG  66          HB2       ARG  66   8.287  -1.706   8.870
  431   2HB   ARG  66          HB1       ARG  66   7.157  -0.362   9.028
  432   1HG   ARG  66          HG2       ARG  66   5.308  -1.818   9.377
  433   2HG   ARG  66          HG1       ARG  66   6.217  -3.226   8.826
  434   1HD   ARG  66          HD2       ARG  66   6.079  -3.261  11.264
  435   2HD   ARG  66          HD1       ARG  66   7.747  -2.960  10.777
  436    HE   ARG  66           HE       ARG  66   6.955  -0.434  11.110
  437   1HH1  ARG  66          1HH1      ARG  66   8.209  -2.056  13.389
  438   2HH1  ARG  66          2HH1      ARG  66   7.097  -1.727  14.675
  439   1HH2  ARG  66          1HH2      ARG  66   4.623  -0.503  12.574
  440   2HH2  ARG  66          2HH2      ARG  66   5.064  -0.850  14.212
  441    H    TYR  67           H        TYR  67   9.432  -1.533   6.282
  442    HA   TYR  67           HA       TYR  67   9.110  -4.138   4.958
  443   1HB   TYR  67          HB2       TYR  67  10.881  -1.889   4.726
  444   2HB   TYR  67          HB1       TYR  67  11.841  -3.344   5.002
  445    HD1  TYR  67           HD2      TYR  67  10.593  -5.496   3.703
  446    HD2  TYR  67           HD1      TYR  67  10.659  -1.382   2.469
  447    HE1  TYR  67           HE2      TYR  67  10.206  -6.194   1.355
  448    HE2  TYR  67           HE1      TYR  67  10.271  -2.080   0.123
  449    HH   TYR  67           HH       TYR  67   9.787  -5.506  -0.720
  450    H    HIS  68           H        HIS  68   8.704  -4.379   7.714
  451    HA   HIS  68           HA       HIS  68  11.175  -5.207   9.025
  452   1HB   HIS  68          HB2       HIS  68   9.011  -4.342  10.147
  453   2HB   HIS  68          HB1       HIS  68   8.390  -5.974   9.898
  454    HD1  HIS  68           HD1      HIS  68   8.441  -5.968  12.637
  455    HD2  HIS  68           HD2      HIS  68  12.133  -6.063  10.704
  456    HE1  HIS  68           HE1      HIS  68  10.129  -6.745  14.356
  Start of MODEL   19
    1   1H    GLY   1          HT1       GLY   1  -9.444 -10.949   0.862
    2   2H    GLY   1          HT2       GLY   1 -10.933 -10.466   1.521
    3   3H    GLY   1          HT3       GLY   1  -9.688 -11.010   2.540
    4   1HA   GLY   1          HA1       GLY   1  -8.319  -9.088   1.715
    5   2HA   GLY   1          HA2       GLY   1  -9.815  -8.479   1.008
    6    H    LYS   2           H        LYS   2  -8.971  -6.760   2.756
    7    HA   LYS   2           HA       LYS   2  -9.604  -7.357   5.525
    8   1HB   LYS   2          HB2       LYS   2  -8.480  -5.159   4.029
    9   2HB   LYS   2          HB1       LYS   2  -9.732  -4.560   5.118
   10   1HG   LYS   2          HG2       LYS   2  -7.573  -4.601   6.277
   11   2HG   LYS   2          HG1       LYS   2  -8.659  -5.795   6.991
   12   1HD   LYS   2          HD2       LYS   2  -7.024  -6.789   4.736
   13   2HD   LYS   2          HD1       LYS   2  -6.113  -6.353   6.183
   14   1HE   LYS   2          HE2       LYS   2  -8.303  -7.721   7.200
   15   2HE   LYS   2          HE1       LYS   2  -7.911  -8.617   5.733
   16   1HZ   LYS   2          HZ1       LYS   2  -6.591  -9.548   7.408
   17   2HZ   LYS   2          HZ2       LYS   2  -6.157  -8.033   8.043
   18   3HZ   LYS   2          HZ3       LYS   2  -5.536  -8.540   6.544
   19    H    GLU   3           H        GLU   3 -11.337  -6.057   6.702
   20    HA   GLU   3           HA       GLU   3 -13.838  -6.174   5.097
   21   1HB   GLU   3          HB2       GLU   3 -13.461  -7.348   7.411
   22   2HB   GLU   3          HB1       GLU   3 -13.755  -5.739   8.070
   23   1HG   GLU   3          HG2       GLU   3 -15.915  -6.630   8.013
   24   2HG   GLU   3          HG1       GLU   3 -15.840  -5.762   6.478
   25    H    CYS   4           H        CYS   4 -11.623  -3.914   6.349
   26    HA   CYS   4           HA       CYS   4 -13.665  -1.759   5.999
   27   1HB   CYS   4          HB2       CYS   4 -11.386  -1.911   7.993
   28   2HB   CYS   4          HB1       CYS   4 -12.282  -0.432   7.654
   29    H    ASP   5           H        ASP   5 -13.150  -1.100   3.960
   30    HA   ASP   5           HA       ASP   5 -10.519  -1.014   2.842
   31   1HB   ASP   5          HB2       ASP   5 -12.839  -0.907   1.661
   32   2HB   ASP   5          HB1       ASP   5 -12.747   0.827   1.974
   33    H    CYS   6           H        CYS   6 -12.504   1.458   4.469
   34    HA   CYS   6           HA       CYS   6 -10.002   3.060   4.799
   35   1HB   CYS   6          HB2       CYS   6 -12.599   4.519   4.616
   36   2HB   CYS   6          HB1       CYS   6 -10.990   5.029   4.114
   37    H    SER   7           H        SER   7 -10.754   4.955   6.527
   38    HA   SER   7           HA       SER   7 -12.234   3.556   8.712
   39   1HB   SER   7          HB2       SER   7  -9.573   4.985   8.917
   40   2HB   SER   7          HB1       SER   7 -10.546   4.533  10.312
   41    HG   SER   7           HG       SER   7  -9.682   2.637  10.117
   42    H    SER   8           H        SER   8 -13.111   5.660   6.868
   43    HA   SER   8           HA       SER   8 -13.490   7.869   8.849
   44   1HB   SER   8          HB2       SER   8 -12.276   8.876   7.109
   45   2HB   SER   8          HB1       SER   8 -13.083   7.923   5.868
   46    HG   SER   8           HG       SER   8 -13.694  10.319   6.555
   47    HA   PRO   9           HA       PRO   9 -17.714   6.454   8.325
   48   1HB   PRO   9          HB2       PRO   9 -18.718   7.983  10.379
   49   2HB   PRO   9          HB1       PRO   9 -17.895   6.432  10.623
   50   1HG   PRO   9          HG2       PRO   9 -16.884   9.195  11.124
   51   2HG   PRO   9          HG1       PRO   9 -16.421   7.672  11.902
   52   1HD   PRO   9          HD2       PRO   9 -14.947   9.015   9.900
   53   2HD   PRO   9          HD1       PRO   9 -14.694   7.339  10.432
   54    H    GLU  10           H        GLU  10 -16.320   9.399   7.617
   55    HA   GLU  10           HA       GLU  10 -18.916  10.462   6.583
   56   1HB   GLU  10          HB2       GLU  10 -16.624  11.997   7.844
   57   2HB   GLU  10          HB1       GLU  10 -17.939  12.762   6.952
   58   1HG   GLU  10          HG2       GLU  10 -19.389  11.223   8.629
   59   2HG   GLU  10          HG1       GLU  10 -17.966  11.486   9.637
   60    H    ASN  11           H        ASN  11 -16.608   8.840   5.427
   61    HA   ASN  11           HA       ASN  11 -15.586  10.758   3.401
   62   1HB   ASN  11          HB2       ASN  11 -14.383   8.645   4.737
   63   2HB   ASN  11          HB1       ASN  11 -14.732   7.968   3.146
   64   1HD2  ASN  11          1HD2      ASN  11 -12.186   8.087   3.155
   65   2HD2  ASN  11          2HD2      ASN  11 -11.508   9.519   2.545
   66    HA   PRO  12           HA       PRO  12 -18.552   9.181   0.511
   67   1HB   PRO  12          HB2       PRO  12 -17.498  10.409  -1.710
   68   2HB   PRO  12          HB1       PRO  12 -18.457  11.262  -0.488
   69   1HG   PRO  12          HG2       PRO  12 -15.514  11.346  -0.958
   70   2HG   PRO  12          HG1       PRO  12 -16.569  12.570  -0.234
   71   1HD   PRO  12          HD2       PRO  12 -14.865  10.801   1.176
   72   2HD   PRO  12          HD1       PRO  12 -16.150  11.803   1.885
   73    H    CYS  13           H        CYS  13 -15.117   8.690   0.309
   74    HA   CYS  13           HA       CYS  13 -15.268   6.851  -1.970
   75   1HB   CYS  13          HB2       CYS  13 -13.125   7.979  -0.234
   76   2HB   CYS  13          HB1       CYS  13 -12.800   6.421  -0.993
   77    H    CYS  14           H        CYS  14 -16.279   6.542   1.126
   78    HA   CYS  14           HA       CYS  14 -15.912   3.611   1.025
   79   1HB   CYS  14          HB2       CYS  14 -14.400   5.307   2.773
   80   2HB   CYS  14          HB1       CYS  14 -15.507   4.332   3.741
   81    H    ASP  15           H        ASP  15 -17.261   2.549   2.793
   82    HA   ASP  15           HA       ASP  15 -19.727   4.178   3.267
   83   1HB   ASP  15          HB2       ASP  15 -19.729   2.138   1.605
   84   2HB   ASP  15          HB1       ASP  15 -19.760   1.178   3.081
   85    H    ALA  16           H        ALA  16 -20.050   4.541   5.403
   86    HA   ALA  16           HA       ALA  16 -18.511   3.405   7.492
   87   1HB   ALA  16          HB1       ALA  16 -19.975   5.503   7.570
   88   2HB   ALA  16          HB2       ALA  16 -20.025   4.472   9.000
   89   3HB   ALA  16          HB3       ALA  16 -21.342   4.418   7.828
   90    H    ALA  17           H        ALA  17 -21.396   2.244   5.888
   91    HA   ALA  17           HA       ALA  17 -22.404   0.432   7.790
   92   1HB   ALA  17          HB1       ALA  17 -23.514   0.831   5.638
   93   2HB   ALA  17          HB2       ALA  17 -23.207  -0.893   5.846
   94   3HB   ALA  17          HB3       ALA  17 -22.172   0.064   4.787
   95    H    THR  18           H        THR  18 -20.220  -0.530   5.112
   96    HA   THR  18           HA       THR  18 -19.139  -2.633   6.938
   97    HB   THR  18           HB       THR  18 -20.040  -3.708   5.029
   98    HG1  THR  18           HG1      THR  18 -17.948  -4.408   5.392
   99   1HG2  THR  18          1HG2      THR  18 -19.493  -2.902   2.708
  100   2HG2  THR  18          2HG2      THR  18 -18.754  -1.476   3.438
  101   3HG2  THR  18          3HG2      THR  18 -20.479  -1.779   3.644
  102    H    CYS  19           H        CYS  19 -18.328   0.266   6.672
  103    HA   CYS  19           HA       CYS  19 -16.390   1.554   6.338
  104   1HB   CYS  19          HB2       CYS  19 -14.358   0.457   7.422
  105   2HB   CYS  19          HB1       CYS  19 -15.788   0.604   8.437
  106    H    LYS  20           H        LYS  20 -17.126   0.061   3.971
  107    HA   LYS  20           HA       LYS  20 -14.397  -0.491   2.888
  108   1HB   LYS  20          HB2       LYS  20 -17.056  -1.739   2.255
  109   2HB   LYS  20          HB1       LYS  20 -15.712  -1.812   1.114
  110   1HG   LYS  20          HG2       LYS  20 -14.390  -2.587   3.301
  111   2HG   LYS  20          HG1       LYS  20 -16.003  -3.109   3.787
  112   1HD   LYS  20          HD2       LYS  20 -15.077  -4.979   2.647
  113   2HD   LYS  20          HD1       LYS  20 -16.162  -4.225   1.479
  114   1HE   LYS  20          HE2       LYS  20 -14.324  -3.134   0.363
  115   2HE   LYS  20          HE1       LYS  20 -13.197  -3.627   1.627
  116   1HZ   LYS  20          HZ1       LYS  20 -12.846  -5.494   0.521
  117   2HZ   LYS  20          HZ2       LYS  20 -13.961  -5.035  -0.675
  118   3HZ   LYS  20          HZ3       LYS  20 -14.481  -5.916   0.681
  119    H    LEU  21           H        LEU  21 -14.564  -0.284   0.317
  120    HA   LEU  21           HA       LEU  21 -14.868   2.507  -0.196
  121   1HB   LEU  21          HB2       LEU  21 -14.405   0.096  -1.916
  122   2HB   LEU  21          HB1       LEU  21 -14.726   1.664  -2.661
  123    HG   LEU  21           HG       LEU  21 -12.732   1.639  -0.461
  124   1HD1  LEU  21          1HD1      LEU  21 -12.393  -0.427  -2.050
  125   2HD1  LEU  21          2HD1      LEU  21 -11.013   0.592  -1.644
  126   3HD1  LEU  21          3HD1      LEU  21 -11.828   0.787  -3.194
  127   1HD2  LEU  21          1HD2      LEU  21 -13.468   3.180  -2.850
  128   2HD2  LEU  21          2HD2      LEU  21 -11.727   2.959  -2.675
  129   3HD2  LEU  21          3HD2      LEU  21 -12.657   3.712  -1.378
  130    H    ARG  22           H        ARG  22 -16.417   3.637  -1.345
  131    HA   ARG  22           HA       ARG  22 -19.077   2.332  -1.490
  132   1HB   ARG  22          HB2       ARG  22 -18.176   4.920  -0.688
  133   2HB   ARG  22          HB1       ARG  22 -19.216   5.119  -2.098
  134   1HG   ARG  22          HG2       ARG  22 -19.935   3.519   0.375
  135   2HG   ARG  22          HG1       ARG  22 -20.515   5.147   0.018
  136   1HD   ARG  22          HD2       ARG  22 -21.131   3.870  -2.310
  137   2HD   ARG  22          HD1       ARG  22 -21.331   2.555  -1.152
  138    HE   ARG  22           HE       ARG  22 -22.638   4.907  -0.161
  139   1HH1  ARG  22          1HH1      ARG  22 -23.192   4.260  -3.244
  140   2HH1  ARG  22          2HH1      ARG  22 -24.754   3.530  -3.075
  141   1HH2  ARG  22          1HH2      ARG  22 -24.506   3.174   0.366
  142   2HH2  ARG  22          2HH2      ARG  22 -25.498   2.916  -1.030
  143    HA   PRO  23           HA       PRO  23 -18.657   4.150  -5.857
  144   1HB   PRO  23          HB2       PRO  23 -16.388   5.550  -6.509
  145   2HB   PRO  23          HB1       PRO  23 -17.827   6.296  -5.794
  146   1HG   PRO  23          HG2       PRO  23 -15.200   5.725  -4.533
  147   2HG   PRO  23          HG1       PRO  23 -16.433   6.907  -4.069
  148   1HD   PRO  23          HD2       PRO  23 -15.944   4.373  -2.855
  149   2HD   PRO  23          HD1       PRO  23 -17.290   5.480  -2.504
  150    H    GLY  24           H        GLY  24 -16.663   4.105  -7.789
  151   1HA   GLY  24          HA2       GLY  24 -15.837   1.288  -7.686
  152   2HA   GLY  24          HA1       GLY  24 -15.668   2.368  -9.070
  153    H    ALA  25           H        ALA  25 -14.548   3.778  -6.186
  154    HA   ALA  25           HA       ALA  25 -11.822   3.883  -7.125
  155   1HB   ALA  25          HB1       ALA  25 -13.307   5.243  -5.224
  156   2HB   ALA  25          HB2       ALA  25 -11.567   5.404  -5.462
  157   3HB   ALA  25          HB3       ALA  25 -12.191   4.292  -4.242
  158    H    GLN  26           H        GLN  26 -10.020   2.720  -6.434
  159    HA   GLN  26           HA       GLN  26 -10.561   0.033  -5.473
  160   1HB   GLN  26          HB2       GLN  26  -8.810  -0.031  -6.967
  161   2HB   GLN  26          HB1       GLN  26  -8.260   1.584  -6.547
  162   1HG   GLN  26          HG2       GLN  26  -6.576   0.082  -5.797
  163   2HG   GLN  26          HG1       GLN  26  -7.441   0.609  -4.356
  164   1HE2  GLN  26          1HE2      GLN  26  -8.241  -1.049  -3.035
  165   2HE2  GLN  26          2HE2      GLN  26  -8.420  -2.664  -3.518
  166    H    CYS  27           H        CYS  27  -9.593   3.079  -4.098
  167    HA   CYS  27           HA       CYS  27  -9.691   1.874  -1.408
  168   1HB   CYS  27          HB2       CYS  27  -7.543   2.966  -0.751
  169   2HB   CYS  27          HB1       CYS  27  -7.324   1.679  -1.933
  170    H    GLY  28           H        GLY  28  -9.613   3.647   0.278
  171   1HA   GLY  28          HA2       GLY  28 -10.813   6.150  -0.828
  172   2HA   GLY  28          HA1       GLY  28 -11.299   5.445   0.710
  173    H    GLU  29           H        GLU  29  -8.608   4.758   1.528
  174    HA   GLU  29           HA       GLU  29  -7.199   7.352   1.617
  175   1HB   GLU  29          HB2       GLU  29  -7.242   7.508   4.000
  176   2HB   GLU  29          HB1       GLU  29  -8.906   7.269   3.490
  177   1HG   GLU  29          HG2       GLU  29  -8.812   5.661   5.134
  178   2HG   GLU  29          HG1       GLU  29  -8.226   4.701   3.774
  179    H    GLY  30           H        GLY  30  -4.979   7.117   2.258
  180   1HA   GLY  30          HA2       GLY  30  -3.649   4.987   3.382
  181   2HA   GLY  30          HA1       GLY  30  -3.890   4.459   1.716
  182    H    LEU  31           H        LEU  31  -1.323   5.013   2.927
  183    HA   LEU  31           HA       LEU  31  -0.372   7.627   2.173
  184   1HB   LEU  31          HB2       LEU  31   0.750   5.177   3.266
  185   2HB   LEU  31          HB1       LEU  31   1.813   5.873   2.048
  186    HG   LEU  31           HG       LEU  31   0.701   7.267   4.496
  187   1HD1  LEU  31          1HD1      LEU  31   2.674   6.745   5.450
  188   2HD1  LEU  31          2HD1      LEU  31   3.557   7.411   4.077
  189   3HD1  LEU  31          3HD1      LEU  31   3.030   5.729   4.054
  190   1HD2  LEU  31          1HD2      LEU  31   1.755   8.293   1.937
  191   2HD2  LEU  31          2HD2      LEU  31   2.542   8.967   3.364
  192   3HD2  LEU  31          3HD2      LEU  31   0.795   9.116   3.166
  193    H    CYS  32           H        CYS  32  -0.692   4.564   0.465
  194    HA   CYS  32           HA       CYS  32   0.512   5.860  -1.946
  195   1HB   CYS  32          HB2       CYS  32   0.266   2.960  -1.129
  196   2HB   CYS  32          HB1       CYS  32   0.682   3.448  -2.772
  197    H    CYS  33           H        CYS  33  -1.895   6.802  -1.790
  198    HA   CYS  33           HA       CYS  33  -3.418   5.263  -3.795
  199   1HB   CYS  33          HB2       CYS  33  -4.200   5.506  -0.983
  200   2HB   CYS  33          HB1       CYS  33  -5.447   6.080  -2.093
  201    H    GLU  34           H        GLU  34  -3.822   6.726  -5.360
  202    HA   GLU  34           HA       GLU  34  -4.290   9.562  -4.540
  203   1HB   GLU  34          HB2       GLU  34  -3.329   8.507  -7.217
  204   2HB   GLU  34          HB1       GLU  34  -3.483  10.202  -6.759
  205   1HG   GLU  34          HG2       GLU  34  -1.759   9.987  -5.088
  206   2HG   GLU  34          HG1       GLU  34  -1.717   8.235  -5.282
  207    H    GLN  35           H        GLN  35  -6.252  10.437  -5.049
  208    HA   GLN  35           HA       GLN  35  -8.422  10.596  -5.916
  209   1HB   GLN  35          HB2       GLN  35  -7.473   8.703  -8.079
  210   2HB   GLN  35          HB1       GLN  35  -8.782   9.883  -8.178
  211   1HG   GLN  35          HG2       GLN  35  -6.523  11.359  -7.391
  212   2HG   GLN  35          HG1       GLN  35  -5.945  10.263  -8.646
  213   1HE2  GLN  35          1HE2      GLN  35  -9.186  11.794  -8.307
  214   2HE2  GLN  35          2HE2      GLN  35  -9.126  12.600  -9.799
  215    H    CYS  36           H        CYS  36  -7.730   8.533  -3.974
  216    HA   CYS  36           HA       CYS  36  -8.761   6.690  -2.958
  217   1HB   CYS  36          HB2       CYS  36 -10.884   7.477  -4.965
  218   2HB   CYS  36          HB1       CYS  36 -11.103   6.151  -3.820
  219    H    LYS  37           H        LYS  37  -6.845   6.202  -5.007
  220    HA   LYS  37           HA       LYS  37  -7.806   3.540  -5.923
  221   1HB   LYS  37          HB2       LYS  37  -7.898   5.450  -7.732
  222   2HB   LYS  37          HB1       LYS  37  -6.150   5.226  -7.780
  223   1HG   LYS  37          HG2       LYS  37  -6.304   3.087  -8.642
  224   2HG   LYS  37          HG1       LYS  37  -7.880   2.793  -7.907
  225   1HD   LYS  37          HD2       LYS  37  -7.435   4.750 -10.175
  226   2HD   LYS  37          HD1       LYS  37  -7.948   3.078 -10.414
  227   1HE   LYS  37          HE2       LYS  37 -10.075   3.686 -10.015
  228   2HE   LYS  37          HE1       LYS  37  -9.613   4.194  -8.391
  229   1HZ   LYS  37          HZ1       LYS  37 -10.226   6.204  -9.130
  230   2HZ   LYS  37          HZ2       LYS  37 -10.068   5.781 -10.769
  231   3HZ   LYS  37          HZ3       LYS  37  -8.698   6.226  -9.866
  232    H    PHE  38           H        PHE  38  -5.984   2.070  -6.411
  233    HA   PHE  38           HA       PHE  38  -3.840   2.350  -4.511
  234   1HB   PHE  38          HB2       PHE  38  -4.392   0.465  -6.792
  235   2HB   PHE  38          HB1       PHE  38  -2.854   0.408  -5.939
  236    HD1  PHE  38           HD1      PHE  38  -5.206   1.570  -3.615
  237    HD2  PHE  38           HD2      PHE  38  -4.022  -2.017  -5.660
  238    HE1  PHE  38           HE1      PHE  38  -6.258   0.207  -1.837
  239    HE2  PHE  38           HE2      PHE  38  -5.081  -3.377  -3.880
  240    HZ   PHE  38           HZ       PHE  38  -6.196  -2.266  -1.966
  241    H    SER  39           H        SER  39  -1.879   3.316  -4.754
  242    HA   SER  39           HA       SER  39  -1.337   4.909  -7.100
  243   1HB   SER  39          HB2       SER  39   0.494   4.143  -4.803
  244   2HB   SER  39          HB1       SER  39   0.812   5.411  -5.985
  245    HG   SER  39           HG       SER  39  -0.803   6.603  -5.158
  246    H    ARG  40           H        ARG  40   1.626   3.505  -6.326
  247    HA   ARG  40           HA       ARG  40   1.329   1.397  -8.407
  248   1HB   ARG  40          HB2       ARG  40   2.895   3.884  -8.588
  249   2HB   ARG  40          HB1       ARG  40   3.825   2.429  -8.948
  250   1HG   ARG  40          HG2       ARG  40   2.321   1.781 -10.687
  251   2HG   ARG  40          HG1       ARG  40   1.119   2.970 -10.185
  252   1HD   ARG  40          HD2       ARG  40   3.867   3.876 -10.999
  253   2HD   ARG  40          HD1       ARG  40   2.662   3.509 -12.233
  254    HE   ARG  40           HE       ARG  40   2.639   5.819 -10.454
  255   1HH1  ARG  40          1HH1      ARG  40   1.637   5.449 -13.371
  256   2HH1  ARG  40          2HH1      ARG  40  -0.059   5.723 -13.146
  257   1HH2  ARG  40          1HH2      ARG  40   0.072   5.382  -9.699
  258   2HH2  ARG  40          2HH2      ARG  40  -0.945   5.687 -11.067
  259    H    ALA  41           H        ALA  41   3.304  -0.051  -8.424
  260    HA   ALA  41           HA       ALA  41   3.992  -0.777  -5.691
  261   1HB   ALA  41          HB1       ALA  41   4.807  -2.747  -6.590
  262   2HB   ALA  41          HB2       ALA  41   5.428  -1.952  -8.036
  263   3HB   ALA  41          HB3       ALA  41   3.701  -2.272  -7.878
  264    H    GLY  42           H        GLY  42   6.127  -0.773  -4.799
  265   1HA   GLY  42          HA2       GLY  42   8.315   0.033  -4.494
  266   2HA   GLY  42          HA1       GLY  42   8.368   0.382  -6.222
  267    H    LYS  43           H        LYS  43   5.835   1.632  -4.124
  268    HA   LYS  43           HA       LYS  43   6.700   4.375  -4.836
  269   1HB   LYS  43          HB2       LYS  43   4.392   4.271  -5.075
  270   2HB   LYS  43          HB1       LYS  43   4.198   3.146  -3.737
  271   1HG   LYS  43          HG2       LYS  43   3.328   5.400  -3.166
  272   2HG   LYS  43          HG1       LYS  43   4.673   4.943  -2.129
  273   1HD   LYS  43          HD2       LYS  43   5.789   6.782  -2.773
  274   2HD   LYS  43          HD1       LYS  43   5.770   6.200  -4.438
  275   1HE   LYS  43          HE2       LYS  43   3.940   7.481  -5.013
  276   2HE   LYS  43          HE1       LYS  43   3.267   7.439  -3.383
  277   1HZ   LYS  43          HZ1       LYS  43   4.076   9.625  -3.810
  278   2HZ   LYS  43          HZ2       LYS  43   5.586   9.037  -4.318
  279   3HZ   LYS  43          HZ3       LYS  43   5.123   8.899  -2.690
  280    H    ILE  44           H        ILE  44   8.010   5.486  -3.487
  281    HA   ILE  44           HA       ILE  44   8.831   4.502  -0.938
  282    HB   ILE  44           HB       ILE  44  10.259   6.005  -2.162
  283   1HG1  ILE  44          2HG1      ILE  44  10.686   7.738  -0.427
  284   2HG1  ILE  44          1HG1      ILE  44   9.134   7.351   0.317
  285   1HG2  ILE  44          1HG2      ILE  44   7.767   7.540  -2.367
  286   2HG2  ILE  44          2HG2      ILE  44   9.179   7.545  -3.425
  287   3HG2  ILE  44          3HG2      ILE  44   9.165   8.537  -1.966
  288   1HD1  ILE  44          1HD1      ILE  44  11.365   5.345  -0.106
  289   2HD1  ILE  44          2HD1      ILE  44   9.859   5.077   0.772
  290   3HD1  ILE  44          3HD1      ILE  44  11.068   6.192   1.412
  291    H    CYS  45           H        CYS  45   6.825   4.092   0.157
  292    HA   CYS  45           HA       CYS  45   5.045   6.317   0.862
  293   1HB   CYS  45          HB2       CYS  45   4.035   4.576   2.393
  294   2HB   CYS  45          HB1       CYS  45   4.032   4.153   0.684
  295    H    ARG  46           H        ARG  46   7.611   4.433   2.383
  296    HA   ARG  46           HA       ARG  46   7.606   6.425   4.620
  297   1HB   ARG  46          HB2       ARG  46   7.248   3.581   4.735
  298   2HB   ARG  46          HB1       ARG  46   8.778   3.990   5.510
  299   1HG   ARG  46          HG2       ARG  46   7.130   5.962   6.470
  300   2HG   ARG  46          HG1       ARG  46   6.024   4.593   6.363
  301   1HD   ARG  46          HD2       ARG  46   8.701   4.008   7.501
  302   2HD   ARG  46          HD1       ARG  46   7.645   5.013   8.491
  303    HE   ARG  46           HE       ARG  46   6.482   2.513   7.414
  304   1HH1  ARG  46          1HH2      ARG  46   8.272   3.967   9.954
  305   2HH1  ARG  46          2HH2      ARG  46   7.487   3.070  11.210
  306   1HH2  ARG  46          1HH1      ARG  46   5.273   1.487   9.062
  307   2HH2  ARG  46          2HH1      ARG  46   5.789   1.668  10.706
  308    H    ILE  47           H        ILE  47   9.589   7.279   5.148
  309    HA   ILE  47           HA       ILE  47  11.962   6.209   3.663
  310    HB   ILE  47           HB       ILE  47  12.827   8.601   3.903
  311   1HG1  ILE  47          2HG1      ILE  47   9.895   9.150   4.439
  312   2HG1  ILE  47          1HG1      ILE  47  11.143   9.163   5.687
  313   1HG2  ILE  47          1HG2      ILE  47  10.440   7.870   2.209
  314   2HG2  ILE  47          2HG2      ILE  47  12.137   7.956   1.736
  315   3HG2  ILE  47          3HG2      ILE  47  11.234   9.437   2.054
  316   1HD1  ILE  47          1HD1      ILE  47  11.995  11.158   4.988
  317   2HD1  ILE  47          2HD1      ILE  47  10.413  11.361   4.235
  318   3HD1  ILE  47          3HD1      ILE  47  11.773  10.765   3.283
  319    H    ALA  48           H        ALA  48  13.735   5.730   4.913
  320    HA   ALA  48           HA       ALA  48  13.648   6.607   7.769
  321   1HB   ALA  48          HB1       ALA  48  13.524   3.965   6.756
  322   2HB   ALA  48          HB2       ALA  48  13.713   4.462   8.438
  323   3HB   ALA  48          HB3       ALA  48  15.137   4.166   7.441
  324    H    ARG  49           H        ARG  49  14.950   8.149   5.912
  325    HA   ARG  49           HA       ARG  49  17.547   7.647   5.142
  326   1HB   ARG  49          HB2       ARG  49  16.637  10.187   6.530
  327   2HB   ARG  49          HB1       ARG  49  18.019  10.031   5.445
  328   1HG   ARG  49          HG2       ARG  49  16.694  10.299   3.650
  329   2HG   ARG  49          HG1       ARG  49  15.672   8.958   4.166
  330   1HD   ARG  49          HD2       ARG  49  14.175  10.764   4.171
  331   2HD   ARG  49          HD1       ARG  49  14.682  10.681   5.858
  332    HE   ARG  49           HE       ARG  49  15.312  12.924   5.460
  333   1HH1  ARG  49          1HH2      ARG  49  17.971  11.919   4.563
  334   2HH1  ARG  49          2HH2      ARG  49  18.138  12.654   3.003
  335   1HH2  ARG  49          1HH1      ARG  49  14.770  13.421   2.708
  336   2HH2  ARG  49          2HH1      ARG  49  16.327  13.505   1.954
  337    H    GLY  50           H        GLY  50  19.588   7.584   6.168
  338   1HA   GLY  50          HA2       GLY  50  20.788   8.241   8.348
  339   2HA   GLY  50          HA1       GLY  50  19.472   7.384   9.149
  340    H    ASP  51           H        ASP  51  20.150   5.410   9.823
  341    HA   ASP  51           HA       ASP  51  22.245   4.005   8.243
  342   1HB   ASP  51          HB2       ASP  51  21.933   4.392  10.981
  343   2HB   ASP  51          HB1       ASP  51  21.405   2.726  10.735
  344    H    MET  52           H        MET  52  19.271   4.177   7.620
  345    HA   MET  52           HA       MET  52  18.902   1.257   7.229
  346   1HB   MET  52          HB2       MET  52  16.840   3.115   8.452
  347   2HB   MET  52          HB1       MET  52  16.496   1.479   7.892
  348   1HG   MET  52          HG2       MET  52  18.618   0.944   9.454
  349   2HG   MET  52          HG1       MET  52  18.019   2.379  10.285
  350   1HE   MET  52          HE1       MET  52  16.334  -0.537   8.270
  351   2HE   MET  52          HE2       MET  52  15.855  -1.605   9.587
  352   3HE   MET  52          HE3       MET  52  17.561  -1.254   9.322
  353    HA   PRO  53           HA       PRO  53  17.500   2.559   3.283
  354   1HB   PRO  53          HB2       PRO  53  15.829   0.466   2.660
  355   2HB   PRO  53          HB1       PRO  53  17.598   0.344   2.649
  356   1HG   PRO  53          HG2       PRO  53  15.654  -0.726   4.644
  357   2HG   PRO  53          HG1       PRO  53  17.273  -1.314   4.226
  358   1HD   PRO  53          HD2       PRO  53  16.609   0.220   6.509
  359   2HD   PRO  53          HD1       PRO  53  18.249  -0.086   5.898
  360    H    ASP  54           H        ASP  54  15.088   2.308   2.031
  361    HA   ASP  54           HA       ASP  54  13.230   3.781   3.851
  362   1HB   ASP  54          HB2       ASP  54  13.502   3.861   0.831
  363   2HB   ASP  54          HB1       ASP  54  12.285   4.743   1.753
  364    H    ASP  55           H        ASP  55  10.872   3.577   2.530
  365    HA   ASP  55           HA       ASP  55  10.417   0.628   2.276
  366   1HB   ASP  55          HB2       ASP  55   8.557   2.686   3.507
  367   2HB   ASP  55          HB1       ASP  55   8.229   0.959   3.351
  368    H    ARG  56           H        ARG  56   9.039  -0.001   0.584
  369    HA   ARG  56           HA       ARG  56   7.931   2.214  -1.078
  370   1HB   ARG  56          HB2       ARG  56   9.123  -0.303  -2.244
  371   2HB   ARG  56          HB1       ARG  56   8.696   1.189  -3.084
  372   1HG   ARG  56          HG2       ARG  56  10.450   2.402  -1.867
  373   2HG   ARG  56          HG1       ARG  56  10.865   0.934  -0.981
  374   1HD   ARG  56          HD2       ARG  56  10.835   0.403  -3.822
  375   2HD   ARG  56          HD1       ARG  56  11.900   1.765  -3.471
  376    HE   ARG  56           HE       ARG  56  12.168  -0.895  -2.123
  377   1HH1  ARG  56          1HH2      ARG  56  13.831  -0.108  -4.574
  378   2HH1  ARG  56          2HH2      ARG  56  15.297   0.419  -3.816
  379   1HH2  ARG  56          1HH1      ARG  56  13.881   0.703  -0.665
  380   2HH2  ARG  56          2HH1      ARG  56  15.326   0.876  -1.604
  381    H    CYS  57           H        CYS  57   5.802   1.933  -1.598
  382    HA   CYS  57           HA       CYS  57   4.287  -0.264  -0.541
  383   1HB   CYS  57          HB2       CYS  57   3.630   1.786  -2.667
  384   2HB   CYS  57          HB1       CYS  57   2.470   0.589  -2.101
  385    H    THR  58           H        THR  58   2.896  -1.704  -1.994
  386    HA   THR  58           HA       THR  58   4.623  -2.805  -4.160
  387    HB   THR  58           HB       THR  58   3.744  -4.933  -3.699
  388    HG1  THR  58           HG1      THR  58   1.808  -5.203  -2.573
  389   1HG2  THR  58          1HG2      THR  58   3.370  -3.992  -0.914
  390   2HG2  THR  58          2HG2      THR  58   4.895  -3.538  -1.675
  391   3HG2  THR  58          3HG2      THR  58   4.444  -5.239  -1.549
  392    H    GLY  59           H        GLY  59   2.390  -0.609  -4.140
  393   1HA   GLY  59          HA2       GLY  59   0.988   0.140  -5.890
  394   2HA   GLY  59          HA1       GLY  59   1.320  -1.366  -6.747
  395    H    GLN  60           H        GLN  60   0.405  -3.333  -5.213
  396    HA   GLN  60           HA       GLN  60  -2.472  -3.007  -5.316
  397   1HB   GLN  60          HB2       GLN  60  -0.892  -5.245  -4.018
  398   2HB   GLN  60          HB1       GLN  60  -2.567  -5.310  -4.566
  399   1HG   GLN  60          HG2       GLN  60  -1.314  -4.486  -6.846
  400   2HG   GLN  60          HG1       GLN  60  -0.066  -5.506  -6.129
  401   1HE2  GLN  60          1HE2      GLN  60  -3.671  -5.755  -6.253
  402   2HE2  GLN  60          2HE2      GLN  60  -3.682  -7.343  -6.851
  403    H    SER  61           H        SER  61  -0.256  -1.952  -3.077
  404    HA   SER  61           HA       SER  61  -2.161  -2.324  -0.804
  405   1HB   SER  61          HB2       SER  61   0.319  -3.056  -0.639
  406   2HB   SER  61          HB1       SER  61   0.678  -1.335  -0.554
  407    HG   SER  61           HG       SER  61  -0.275  -1.219   1.359
  408    H    ALA  62           H        ALA  62  -3.215  -0.539  -0.041
  409    HA   ALA  62           HA       ALA  62  -2.652   2.056  -1.331
  410   1HB   ALA  62          HB1       ALA  62  -4.821   1.142   0.578
  411   2HB   ALA  62          HB2       ALA  62  -4.986   1.447  -1.151
  412   3HB   ALA  62          HB3       ALA  62  -4.694   2.788  -0.044
  413    H    ASP  63           H        ASP  63  -2.301   0.478   1.784
  414    HA   ASP  63           HA       ASP  63  -1.371   3.039   2.984
  415   1HB   ASP  63          HB2       ASP  63  -1.800   0.352   4.322
  416   2HB   ASP  63          HB1       ASP  63  -1.508   1.896   5.123
  417    H    CYS  64           H        CYS  64   0.545   2.368   4.705
  418    HA   CYS  64           HA       CYS  64   2.533   0.781   3.145
  419   1HB   CYS  64          HB2       CYS  64   2.962   3.162   2.770
  420   2HB   CYS  64          HB1       CYS  64   3.021   3.445   4.508
  421    HA   PRO  65           HA       PRO  65   2.955  -1.137   7.089
  422   1HB   PRO  65          HB2       PRO  65   4.704  -3.036   6.180
  423   2HB   PRO  65          HB1       PRO  65   2.959  -3.140   5.949
  424   1HG   PRO  65          HG2       PRO  65   5.099  -2.518   3.983
  425   2HG   PRO  65          HG1       PRO  65   3.472  -3.164   3.704
  426   1HD   PRO  65          HD2       PRO  65   4.309  -0.481   3.305
  427   2HD   PRO  65          HD1       PRO  65   2.637  -1.083   3.283
  428    H    ARG  66           H        ARG  66   5.424  -2.372   7.771
  429    HA   ARG  66           HA       ARG  66   7.075   0.037   8.262
  430   1HB   ARG  66          HB2       ARG  66   7.187  -2.767   9.411
  431   2HB   ARG  66          HB1       ARG  66   8.281  -1.462   9.868
  432   1HG   ARG  66          HG2       ARG  66   6.712  -0.432  11.145
  433   2HG   ARG  66          HG1       ARG  66   5.432  -0.723   9.967
  434   1HD   ARG  66          HD2       ARG  66   4.653  -2.293  11.393
  435   2HD   ARG  66          HD1       ARG  66   6.045  -3.267  10.920
  436    HE   ARG  66           HE       ARG  66   6.986  -1.570  12.934
  437   1HH1  ARG  66          1HH2      ARG  66   6.400  -4.687  12.807
  438   2HH1  ARG  66          2HH2      ARG  66   5.591  -4.870  14.329
  439   1HH2  ARG  66          1HH1      ARG  66   5.125  -1.464  14.789
  440   2HH2  ARG  66          2HH1      ARG  66   4.871  -3.043  15.452
  441    H    TYR  67           H        TYR  67   7.602  -3.343   7.177
  442    HA   TYR  67           HA       TYR  67   9.430  -2.472   5.092
  443   1HB   TYR  67          HB2       TYR  67  10.866  -2.252   7.126
  444   2HB   TYR  67          HB1       TYR  67  10.609  -3.966   7.455
  445    HD1  TYR  67           HD2      TYR  67  11.314  -1.997   4.333
  446    HD2  TYR  67           HD1      TYR  67  12.498  -5.216   6.920
  447    HE1  TYR  67           HE2      TYR  67  13.152  -2.576   2.770
  448    HE2  TYR  67           HE1      TYR  67  14.335  -5.795   5.358
  449    HH   TYR  67           HH       TYR  67  15.718  -4.352   3.531
  450    H    HIS  68           H        HIS  68   7.092  -4.079   5.136
  451    HA   HIS  68           HA       HIS  68   6.359  -6.083   4.150
  452   1HB   HIS  68          HB2       HIS  68   8.774  -5.626   2.970
  453   2HB   HIS  68          HB1       HIS  68   9.083  -7.175   3.756
  454    HD1  HIS  68           HD1      HIS  68   7.013  -5.570   1.076
  455    HD2  HIS  68           HD2      HIS  68   7.515  -9.350   2.762
  456    HE1  HIS  68           HE1      HIS  68   5.824  -7.200  -0.454
  Start of MODEL   20
    1   1H    GLY   1          HT1       GLY   1  -7.059 -10.822   8.248
    2   2H    GLY   1          HT2       GLY   1  -7.991 -10.243   6.950
    3   3H    GLY   1          HT3       GLY   1  -8.434 -11.678   7.744
    4   1HA   GLY   1          HA1       GLY   1  -9.855 -10.365   8.854
    5   2HA   GLY   1          HA2       GLY   1  -8.418  -9.986   9.805
    6    H    LYS   2           H        LYS   2  -9.563  -9.022   6.545
    7    HA   LYS   2           HA       LYS   2  -9.173  -6.182   7.407
    8   1HB   LYS   2          HB2       LYS   2  -7.483  -7.118   5.722
    9   2HB   LYS   2          HB1       LYS   2  -8.822  -7.189   4.576
   10   1HG   LYS   2          HG2       LYS   2  -9.107  -4.653   5.564
   11   2HG   LYS   2          HG1       LYS   2  -7.354  -4.845   5.610
   12   1HD   LYS   2          HD2       LYS   2  -7.174  -4.845   3.344
   13   2HD   LYS   2          HD1       LYS   2  -8.612  -5.846   3.139
   14   1HE   LYS   2          HE2       LYS   2  -8.994  -3.039   4.089
   15   2HE   LYS   2          HE1       LYS   2  -8.595  -3.288   2.388
   16   1HZ   LYS   2          HZ1       LYS   2 -10.886  -3.414   2.416
   17   2HZ   LYS   2          HZ2       LYS   2 -10.939  -4.237   3.901
   18   3HZ   LYS   2          HZ3       LYS   2 -10.442  -5.048   2.494
   19    H    GLU   3           H        GLU   3 -11.083  -5.107   7.412
   20    HA   GLU   3           HA       GLU   3 -13.081  -5.773   5.302
   21   1HB   GLU   3          HB2       GLU   3 -14.873  -5.487   7.077
   22   2HB   GLU   3          HB1       GLU   3 -13.896  -6.946   7.240
   23   1HG   GLU   3          HG2       GLU   3 -13.370  -6.301   9.330
   24   2HG   GLU   3          HG1       GLU   3 -12.513  -4.920   8.646
   25    H    CYS   4           H        CYS   4 -11.106  -3.483   6.168
   26    HA   CYS   4           HA       CYS   4 -13.112  -1.353   5.663
   27   1HB   CYS   4          HB2       CYS   4 -12.444  -1.480   8.123
   28   2HB   CYS   4          HB1       CYS   4 -10.854  -0.989   7.612
   29    H    ASP   5           H        ASP   5 -12.449  -1.079   3.563
   30    HA   ASP   5           HA       ASP   5  -9.760  -1.028   2.627
   31   1HB   ASP   5          HB2       ASP   5 -12.355  -0.770   1.527
   32   2HB   ASP   5          HB1       ASP   5 -11.454   0.664   1.031
   33    H    CYS   6           H        CYS   6 -11.744   1.457   4.136
   34    HA   CYS   6           HA       CYS   6  -9.511   3.388   3.624
   35   1HB   CYS   6          HB2       CYS   6 -11.065   5.181   3.690
   36   2HB   CYS   6          HB1       CYS   6 -11.862   3.935   2.735
   37    H    SER   7           H        SER   7  -9.559   5.158   5.521
   38    HA   SER   7           HA       SER   7  -9.627   3.605   8.077
   39   1HB   SER   7          HB2       SER   7  -7.743   5.710   7.042
   40   2HB   SER   7          HB1       SER   7  -7.930   5.463   8.777
   41    HG   SER   7           HG       SER   7  -6.804   3.831   6.833
   42    H    SER   8           H        SER   8 -10.541   6.590   6.468
   43    HA   SER   8           HA       SER   8 -11.501   7.805   8.962
   44   1HB   SER   8          HB2       SER   8 -12.445   9.009   6.467
   45   2HB   SER   8          HB1       SER   8 -11.518   9.731   7.779
   46    HG   SER   8           HG       SER   8 -10.673   8.483   5.443
   47    HA   PRO   9           HA       PRO   9 -15.467   5.825   8.494
   48   1HB   PRO   9          HB2       PRO   9 -16.588   6.954  10.734
   49   2HB   PRO   9          HB1       PRO   9 -15.466   5.583  10.790
   50   1HG   PRO   9          HG2       PRO   9 -14.978   8.436  11.501
   51   2HG   PRO   9          HG1       PRO   9 -14.158   6.978  12.084
   52   1HD   PRO   9          HD2       PRO   9 -13.173   8.778  10.123
   53   2HD   PRO   9          HD1       PRO   9 -12.512   7.172  10.501
   54    H    GLU  10           H        GLU  10 -14.696   8.913   7.752
   55    HA   GLU  10           HA       GLU  10 -17.536   9.600   7.144
   56   1HB   GLU  10          HB2       GLU  10 -16.525  10.886   9.137
   57   2HB   GLU  10          HB1       GLU  10 -15.502  11.685   7.941
   58   1HG   GLU  10          HG2       GLU  10 -17.568  12.985   8.403
   59   2HG   GLU  10          HG1       GLU  10 -17.488  12.453   6.723
   60    H    ASN  11           H        ASN  11 -15.116   8.508   5.622
   61    HA   ASN  11           HA       ASN  11 -14.571  10.706   3.731
   62   1HB   ASN  11          HB2       ASN  11 -13.129   8.467   4.558
   63   2HB   ASN  11          HB1       ASN  11 -13.642   8.062   2.921
   64   1HD2  ASN  11          1HD2      ASN  11 -11.344   8.338   2.225
   65   2HD2  ASN  11          2HD2      ASN  11 -10.714   9.899   1.998
   66    HA   PRO  12           HA       PRO  12 -17.816   9.441   1.022
   67   1HB   PRO  12          HB2       PRO  12 -16.987  10.860  -1.181
   68   2HB   PRO  12          HB1       PRO  12 -17.778  11.604   0.220
   69   1HG   PRO  12          HG2       PRO  12 -14.908  11.691  -0.579
   70   2HG   PRO  12          HG1       PRO  12 -15.841  12.851   0.381
   71   1HD   PRO  12          HD2       PRO  12 -14.031  10.922   1.400
   72   2HD   PRO  12          HD1       PRO  12 -15.197  11.869   2.349
   73    H    CYS  13           H        CYS  13 -14.472   8.768   0.462
   74    HA   CYS  13           HA       CYS  13 -14.934   7.276  -2.018
   75   1HB   CYS  13          HB2       CYS  13 -12.722   8.493  -0.851
   76   2HB   CYS  13          HB1       CYS  13 -12.395   6.767  -0.673
   77    H    CYS  14           H        CYS  14 -15.578   6.624   1.179
   78    HA   CYS  14           HA       CYS  14 -15.621   3.742   0.577
   79   1HB   CYS  14          HB2       CYS  14 -14.329   3.035   2.415
   80   2HB   CYS  14          HB1       CYS  14 -13.405   4.372   1.736
   81    H    ASP  15           H        ASP  15 -17.243   2.648   1.591
   82    HA   ASP  15           HA       ASP  15 -19.354   4.243   2.810
   83   1HB   ASP  15          HB2       ASP  15 -19.489   2.075   1.303
   84   2HB   ASP  15          HB1       ASP  15 -19.319   1.243   2.846
   85    H    ALA  16           H        ALA  16 -19.144   4.858   4.918
   86    HA   ALA  16           HA       ALA  16 -17.392   3.604   6.801
   87   1HB   ALA  16          HB1       ALA  16 -19.839   5.309   7.366
   88   2HB   ALA  16          HB2       ALA  16 -18.229   5.940   7.022
   89   3HB   ALA  16          HB3       ALA  16 -18.510   4.993   8.482
   90    H    ALA  17           H        ALA  17 -20.783   3.098   5.991
   91    HA   ALA  17           HA       ALA  17 -21.596   1.559   8.215
   92   1HB   ALA  17          HB1       ALA  17 -23.041   2.313   6.269
   93   2HB   ALA  17          HB2       ALA  17 -23.304   0.647   6.781
   94   3HB   ALA  17          HB3       ALA  17 -22.350   0.985   5.337
   95    H    THR  18           H        THR  18 -19.669   0.676   5.391
   96    HA   THR  18           HA       THR  18 -19.310  -2.041   6.586
   97    HB   THR  18           HB       THR  18 -18.691  -2.795   4.333
   98    HG1  THR  18           HG1      THR  18 -18.662  -1.384   2.651
   99   1HG2  THR  18          1HG2      THR  18 -21.112  -2.682   5.066
  100   2HG2  THR  18          2HG2      THR  18 -20.865  -2.665   3.319
  101   3HG2  THR  18          3HG2      THR  18 -21.236  -1.167   4.171
  102    H    CYS  19           H        CYS  19 -17.769   0.947   6.007
  103    HA   CYS  19           HA       CYS  19 -15.529   1.568   6.540
  104   1HB   CYS  19          HB2       CYS  19 -15.930  -0.734   7.975
  105   2HB   CYS  19          HB1       CYS  19 -14.529  -1.132   6.992
  106    H    LYS  20           H        LYS  20 -16.584  -0.173   3.990
  107    HA   LYS  20           HA       LYS  20 -13.846  -0.431   2.837
  108   1HB   LYS  20          HB2       LYS  20 -16.407  -1.673   1.836
  109   2HB   LYS  20          HB1       LYS  20 -14.779  -1.981   1.226
  110   1HG   LYS  20          HG2       LYS  20 -14.130  -2.833   3.468
  111   2HG   LYS  20          HG1       LYS  20 -15.785  -2.587   4.023
  112   1HD   LYS  20          HD2       LYS  20 -16.401  -4.049   1.922
  113   2HD   LYS  20          HD1       LYS  20 -14.729  -4.596   2.059
  114   1HE   LYS  20          HE2       LYS  20 -15.140  -5.769   3.965
  115   2HE   LYS  20          HE1       LYS  20 -16.207  -4.523   4.613
  116   1HZ   LYS  20          HZ1       LYS  20 -16.877  -6.575   2.579
  117   2HZ   LYS  20          HZ2       LYS  20 -17.895  -5.276   2.982
  118   3HZ   LYS  20          HZ3       LYS  20 -17.503  -6.446   4.150
  119    H    LEU  21           H        LEU  21 -13.770  -0.041   0.420
  120    HA   LEU  21           HA       LEU  21 -14.266   2.651  -0.151
  121   1HB   LEU  21          HB2       LEU  21 -13.807   0.251  -1.893
  122   2HB   LEU  21          HB1       LEU  21 -14.146   1.824  -2.617
  123    HG   LEU  21           HG       LEU  21 -12.198   2.094  -0.496
  124   1HD1  LEU  21          1HD1      LEU  21 -11.873  -0.356  -1.420
  125   2HD1  LEU  21          2HD1      LEU  21 -10.470   0.690  -1.194
  126   3HD1  LEU  21          3HD1      LEU  21 -11.160   0.475  -2.803
  127   1HD2  LEU  21          1HD2      LEU  21 -11.010   2.646  -2.950
  128   2HD2  LEU  21          2HD2      LEU  21 -11.882   3.796  -1.937
  129   3HD2  LEU  21          3HD2      LEU  21 -12.725   2.947  -3.233
  130    H    ARG  22           H        ARG  22 -15.892   3.744  -1.255
  131    HA   ARG  22           HA       ARG  22 -18.520   2.395  -1.258
  132   1HB   ARG  22          HB2       ARG  22 -17.620   5.059  -0.756
  133   2HB   ARG  22          HB1       ARG  22 -18.706   5.106  -2.145
  134   1HG   ARG  22          HG2       ARG  22 -20.427   3.912  -0.887
  135   2HG   ARG  22          HG1       ARG  22 -19.337   3.747   0.491
  136   1HD   ARG  22          HD2       ARG  22 -19.651   5.900   1.163
  137   2HD   ARG  22          HD1       ARG  22 -19.682   6.512  -0.492
  138    HE   ARG  22           HE       ARG  22 -22.020   5.429   0.988
  139   1HH1  ARG  22          1HH1      ARG  22 -20.787   6.002  -2.124
  140   2HH1  ARG  22          2HH1      ARG  22 -22.198   6.825  -2.703
  141   1HH2  ARG  22          1HH2      ARG  22 -23.773   6.851   0.386
  142   2HH2  ARG  22          2HH2      ARG  22 -23.888   7.304  -1.283
  143    HA   PRO  23           HA       PRO  23 -18.213   3.733  -5.808
  144   1HB   PRO  23          HB2       PRO  23 -15.973   5.081  -6.643
  145   2HB   PRO  23          HB1       PRO  23 -17.407   5.888  -5.988
  146   1HG   PRO  23          HG2       PRO  23 -14.756   5.459  -4.711
  147   2HG   PRO  23          HG1       PRO  23 -15.976   6.698  -4.373
  148   1HD   PRO  23          HD2       PRO  23 -15.486   4.339  -2.862
  149   2HD   PRO  23          HD1       PRO  23 -16.843   5.465  -2.658
  150    H    GLY  24           H        GLY  24 -16.120   3.548  -7.705
  151   1HA   GLY  24          HA2       GLY  24 -15.252   0.760  -7.252
  152   2HA   GLY  24          HA1       GLY  24 -15.131   1.648  -8.773
  153    H    ALA  25           H        ALA  25 -14.094   3.325  -5.958
  154    HA   ALA  25           HA       ALA  25 -11.416   3.631  -6.950
  155   1HB   ALA  25          HB1       ALA  25 -12.929   4.430  -4.507
  156   2HB   ALA  25          HB2       ALA  25 -11.943   5.414  -5.589
  157   3HB   ALA  25          HB3       ALA  25 -11.170   4.395  -4.374
  158    H    GLN  26           H        GLN  26  -9.574   2.454  -6.474
  159    HA   GLN  26           HA       GLN  26  -9.872  -0.176  -5.317
  160   1HB   GLN  26          HB2       GLN  26  -7.846   1.312  -6.734
  161   2HB   GLN  26          HB1       GLN  26  -7.130   0.537  -5.321
  162   1HG   GLN  26          HG2       GLN  26  -7.090  -1.376  -6.511
  163   2HG   GLN  26          HG1       GLN  26  -8.847  -1.392  -6.388
  164   1HE2  GLN  26          1HE2      GLN  26  -8.283  -2.532  -8.660
  165   2HE2  GLN  26          2HE2      GLN  26  -8.317  -1.490  -9.999
  166    H    CYS  27           H        CYS  27  -8.827   2.945  -4.130
  167    HA   CYS  27           HA       CYS  27  -8.968   1.928  -1.375
  168   1HB   CYS  27          HB2       CYS  27  -6.679   1.531  -1.526
  169   2HB   CYS  27          HB1       CYS  27  -6.429   2.794  -2.723
  170    H    GLY  28           H        GLY  28 -10.194   3.426  -0.341
  171   1HA   GLY  28          HA2       GLY  28 -10.722   6.018  -1.504
  172   2HA   GLY  28          HA1       GLY  28 -11.259   5.480   0.087
  173    H    GLU  29           H        GLU  29  -8.733   4.878   1.203
  174    HA   GLU  29           HA       GLU  29  -7.148   7.371   1.005
  175   1HB   GLU  29          HB2       GLU  29  -8.967   7.694   2.741
  176   2HB   GLU  29          HB1       GLU  29  -8.220   6.391   3.663
  177   1HG   GLU  29          HG2       GLU  29  -6.465   8.616   2.717
  178   2HG   GLU  29          HG1       GLU  29  -7.547   8.937   4.072
  179    H    GLY  30           H        GLY  30  -5.001   7.107   1.920
  180   1HA   GLY  30          HA2       GLY  30  -3.953   5.034   3.407
  181   2HA   GLY  30          HA1       GLY  30  -4.052   4.349   1.784
  182    H    LEU  31           H        LEU  31  -1.553   4.631   2.904
  183    HA   LEU  31           HA       LEU  31  -0.248   7.124   2.425
  184   1HB   LEU  31          HB2       LEU  31   0.517   4.452   3.174
  185   2HB   LEU  31          HB1       LEU  31   1.609   5.037   1.923
  186    HG   LEU  31           HG       LEU  31   2.274   5.599   4.320
  187   1HD1  LEU  31          1HD1      LEU  31   2.701   6.925   2.007
  188   2HD1  LEU  31          2HD1      LEU  31   3.348   7.474   3.553
  189   3HD1  LEU  31          3HD1      LEU  31   1.867   8.186   2.913
  190   1HD2  LEU  31          1HD2      LEU  31  -0.239   6.214   4.792
  191   2HD2  LEU  31          2HD2      LEU  31   0.217   7.784   4.130
  192   3HD2  LEU  31          3HD2      LEU  31   1.041   7.155   5.557
  193    H    CYS  32           H        CYS  32  -0.728   4.287   0.319
  194    HA   CYS  32           HA       CYS  32   0.346   5.935  -1.931
  195   1HB   CYS  32          HB2       CYS  32   0.113   2.919  -1.731
  196   2HB   CYS  32          HB1       CYS  32   0.846   3.821  -3.059
  197    H    CYS  33           H        CYS  33  -2.063   6.761  -1.631
  198    HA   CYS  33           HA       CYS  33  -3.713   5.192  -3.561
  199   1HB   CYS  33          HB2       CYS  33  -4.696   6.634  -1.082
  200   2HB   CYS  33          HB1       CYS  33  -5.732   5.876  -2.290
  201    H    GLU  34           H        GLU  34  -3.209   6.552  -5.303
  202    HA   GLU  34           HA       GLU  34  -3.706   9.461  -4.985
  203   1HB   GLU  34          HB2       GLU  34  -2.578   7.884  -7.325
  204   2HB   GLU  34          HB1       GLU  34  -2.706   9.642  -7.243
  205   1HG   GLU  34          HG2       GLU  34  -1.363   8.441  -4.916
  206   2HG   GLU  34          HG1       GLU  34  -0.508   8.195  -6.439
  207    H    GLN  35           H        GLN  35  -5.644  10.275  -5.629
  208    HA   GLN  35           HA       GLN  35  -7.719  10.414  -6.706
  209   1HB   GLN  35          HB2       GLN  35  -6.064   9.742  -8.694
  210   2HB   GLN  35          HB1       GLN  35  -6.986   8.241  -8.623
  211   1HG   GLN  35          HG2       GLN  35  -9.092   9.578  -8.792
  212   2HG   GLN  35          HG1       GLN  35  -8.112  11.030  -8.999
  213   1HE2  GLN  35          1HE2      GLN  35  -6.055   9.357 -10.556
  214   2HE2  GLN  35          2HE2      GLN  35  -6.744   9.184 -12.098
  215    H    CYS  36           H        CYS  36  -7.106   8.495  -4.558
  216    HA   CYS  36           HA       CYS  36  -8.232   6.801  -3.399
  217   1HB   CYS  36          HB2       CYS  36 -10.228   7.683  -5.434
  218   2HB   CYS  36          HB1       CYS  36 -10.508   6.144  -4.631
  219    H    LYS  37           H        LYS  37  -6.447   6.313  -5.836
  220    HA   LYS  37           HA       LYS  37  -7.375   3.518  -6.370
  221   1HB   LYS  37          HB2       LYS  37  -6.498   5.638  -8.176
  222   2HB   LYS  37          HB1       LYS  37  -5.548   4.166  -8.372
  223   1HG   LYS  37          HG2       LYS  37  -7.711   2.880  -8.507
  224   2HG   LYS  37          HG1       LYS  37  -8.562   4.426  -8.531
  225   1HD   LYS  37          HD2       LYS  37  -7.110   5.062 -10.520
  226   2HD   LYS  37          HD1       LYS  37  -6.585   3.378 -10.567
  227   1HE   LYS  37          HE2       LYS  37  -8.880   2.625 -10.881
  228   2HE   LYS  37          HE1       LYS  37  -9.479   4.275 -10.702
  229   1HZ   LYS  37          HZ1       LYS  37  -8.960   3.186 -13.051
  230   2HZ   LYS  37          HZ2       LYS  37  -7.428   3.841 -12.721
  231   3HZ   LYS  37          HZ3       LYS  37  -8.796   4.848 -12.758
  232    H    PHE  38           H        PHE  38  -5.594   1.947  -6.645
  233    HA   PHE  38           HA       PHE  38  -3.579   2.263  -4.607
  234   1HB   PHE  38          HB2       PHE  38  -3.978   0.246  -6.825
  235   2HB   PHE  38          HB1       PHE  38  -2.600   0.168  -5.732
  236    HD1  PHE  38           HD2      PHE  38  -4.013   1.177  -3.212
  237    HD2  PHE  38           HD1      PHE  38  -5.133  -1.731  -6.172
  238    HE1  PHE  38           HE2      PHE  38  -5.423   0.010  -1.540
  239    HE2  PHE  38           HE1      PHE  38  -6.536  -2.896  -4.494
  240    HZ   PHE  38           HZ       PHE  38  -6.682  -2.024  -2.178
  241    H    SER  39           H        SER  39  -1.546   3.114  -4.800
  242    HA   SER  39           HA       SER  39  -0.805   4.514  -7.214
  243   1HB   SER  39          HB2       SER  39   1.099   3.760  -4.993
  244   2HB   SER  39          HB1       SER  39   1.156   5.174  -6.042
  245    HG   SER  39           HG       SER  39  -0.411   6.099  -4.902
  246    H    ARG  40           H        ARG  40   2.099   3.610  -6.960
  247    HA   ARG  40           HA       ARG  40   1.761   1.046  -8.465
  248   1HB   ARG  40          HB2       ARG  40   3.006   3.511  -9.239
  249   2HB   ARG  40          HB1       ARG  40   4.250   2.265  -9.121
  250   1HG   ARG  40          HG2       ARG  40   2.634   0.768 -10.452
  251   2HG   ARG  40          HG1       ARG  40   1.751   2.252 -10.815
  252   1HD   ARG  40          HD2       ARG  40   3.738   3.235 -11.830
  253   2HD   ARG  40          HD1       ARG  40   4.703   1.833 -11.371
  254    HE   ARG  40           HE       ARG  40   3.706   0.611 -13.153
  255   1HH1  ARG  40          1HH1      ARG  40   3.794   3.118 -14.709
  256   2HH1  ARG  40          2HH1      ARG  40   2.152   3.310 -15.230
  257   1HH2  ARG  40          1HH2      ARG  40   0.876   1.071 -12.911
  258   2HH2  ARG  40          2HH2      ARG  40   0.502   2.149 -14.215
  259    H    ALA  41           H        ALA  41   3.840  -0.294  -8.417
  260    HA   ALA  41           HA       ALA  41   4.585  -0.769  -5.670
  261   1HB   ALA  41          HB1       ALA  41   6.384  -1.951  -7.639
  262   2HB   ALA  41          HB2       ALA  41   4.691  -2.209  -8.060
  263   3HB   ALA  41          HB3       ALA  41   5.302  -2.746  -6.495
  264    H    GLY  42           H        GLY  42   6.850  -0.679  -4.871
  265   1HA   GLY  42          HA1       GLY  42   8.914   0.421  -4.581
  266   2HA   GLY  42          HA2       GLY  42   8.842   0.887  -6.273
  267    H    LYS  43           H        LYS  43   5.987   1.709  -4.694
  268    HA   LYS  43           HA       LYS  43   6.579   4.551  -4.918
  269   1HB   LYS  43          HB2       LYS  43   4.298   4.047  -5.274
  270   2HB   LYS  43          HB1       LYS  43   4.240   2.933  -3.914
  271   1HG   LYS  43          HG2       LYS  43   3.084   4.906  -3.203
  272   2HG   LYS  43          HG1       LYS  43   4.649   4.952  -2.403
  273   1HD   LYS  43          HD2       LYS  43   5.508   6.547  -3.966
  274   2HD   LYS  43          HD1       LYS  43   4.137   6.320  -5.051
  275   1HE   LYS  43          HE2       LYS  43   4.040   7.534  -2.273
  276   2HE   LYS  43          HE1       LYS  43   3.850   8.400  -3.798
  277   1HZ   LYS  43          HZ1       LYS  43   1.960   6.751  -4.213
  278   2HZ   LYS  43          HZ2       LYS  43   1.688   8.011  -3.107
  279   3HZ   LYS  43          HZ3       LYS  43   2.030   6.444  -2.546
  280    H    ILE  44           H        ILE  44   8.016   5.376  -3.457
  281    HA   ILE  44           HA       ILE  44   8.614   4.137  -0.991
  282    HB   ILE  44           HB       ILE  44  10.166   5.704  -1.999
  283   1HG1  ILE  44          2HG1      ILE  44  10.698   7.083  -0.040
  284   2HG1  ILE  44          1HG1      ILE  44   9.067   6.847   0.590
  285   1HG2  ILE  44          1HG2      ILE  44   9.397   7.590  -2.950
  286   2HG2  ILE  44          2HG2      ILE  44   8.985   8.215  -1.353
  287   3HG2  ILE  44          3HG2      ILE  44   7.797   7.290  -2.272
  288   1HD1  ILE  44          1HD1      ILE  44  11.089   5.307   1.389
  289   2HD1  ILE  44          2HD1      ILE  44  10.672   4.416  -0.074
  290   3HD1  ILE  44          3HD1      ILE  44   9.464   4.652   1.188
  291    H    CYS  45           H        CYS  45   6.707   3.729   0.165
  292    HA   CYS  45           HA       CYS  45   4.787   5.827   0.827
  293   1HB   CYS  45          HB2       CYS  45   3.956   4.072   2.462
  294   2HB   CYS  45          HB1       CYS  45   3.956   3.571   0.771
  295    H    ARG  46           H        ARG  46   7.721   4.555   2.140
  296    HA   ARG  46           HA       ARG  46   7.686   6.641   4.234
  297   1HB   ARG  46          HB2       ARG  46   7.286   3.785   4.766
  298   2HB   ARG  46          HB1       ARG  46   8.643   4.468   5.663
  299   1HG   ARG  46          HG2       ARG  46   7.302   5.978   6.815
  300   2HG   ARG  46          HG1       ARG  46   6.061   5.989   5.563
  301   1HD   ARG  46          HD2       ARG  46   4.917   4.552   6.877
  302   2HD   ARG  46          HD1       ARG  46   6.106   3.340   6.398
  303    HE   ARG  46           HE       ARG  46   7.158   3.583   8.525
  304   1HH1  ARG  46          1HH2      ARG  46   4.071   4.450   8.874
  305   2HH1  ARG  46          2HH2      ARG  46   4.294   5.653  10.098
  306   1HH2  ARG  46          1HH1      ARG  46   7.738   5.781   9.721
  307   2HH2  ARG  46          2HH1      ARG  46   6.370   6.407  10.578
  308    H    ILE  47           H        ILE  47   9.712   7.504   4.423
  309    HA   ILE  47           HA       ILE  47  11.940   6.043   3.085
  310    HB   ILE  47           HB       ILE  47  11.368   8.368   2.314
  311   1HG1  ILE  47          2HG1      ILE  47  13.874   9.187   2.909
  312   2HG1  ILE  47          1HG1      ILE  47  14.014   7.483   3.348
  313   1HG2  ILE  47          1HG2      ILE  47  11.019   9.977   3.849
  314   2HG2  ILE  47          2HG2      ILE  47  12.680   9.799   4.415
  315   3HG2  ILE  47          3HG2      ILE  47  11.395   8.829   5.135
  316   1HD1  ILE  47          1HD1      ILE  47  14.491   7.280   1.110
  317   2HD1  ILE  47          2HD1      ILE  47  13.573   8.722   0.675
  318   3HD1  ILE  47          3HD1      ILE  47  12.733   7.204   0.999
  319    H    ALA  48           H        ALA  48  11.755   4.778   5.308
  320    HA   ALA  48           HA       ALA  48  12.734   6.020   7.697
  321   1HB   ALA  48          HB1       ALA  48  11.953   3.401   6.863
  322   2HB   ALA  48          HB2       ALA  48  12.196   3.991   8.506
  323   3HB   ALA  48          HB3       ALA  48  13.541   3.277   7.619
  324    H    ARG  49           H        ARG  49  14.834   6.298   8.446
  325    HA   ARG  49           HA       ARG  49  17.015   5.542   6.539
  326   1HB   ARG  49          HB2       ARG  49  16.463   8.060   8.046
  327   2HB   ARG  49          HB1       ARG  49  18.150   7.576   7.862
  328   1HG   ARG  49          HG2       ARG  49  18.147   8.301   5.736
  329   2HG   ARG  49          HG1       ARG  49  16.818   7.206   5.350
  330   1HD   ARG  49          HD2       ARG  49  15.347   8.909   5.290
  331   2HD   ARG  49          HD1       ARG  49  15.856   9.470   6.883
  332    HE   ARG  49           HE       ARG  49  16.889  10.445   4.294
  333   1HH1  ARG  49          1HH2      ARG  49  16.142  11.265   7.422
  334   2HH1  ARG  49          2HH2      ARG  49  17.535  12.254   7.704
  335   1HH2  ARG  49          1HH1      ARG  49  19.126  11.305   4.771
  336   2HH2  ARG  49          2HH1      ARG  49  19.227  12.274   6.202
  337    H    GLY  50           H        GLY  50  19.229   5.833   7.987
  338   1HA   GLY  50          HA2       GLY  50  20.332   5.254  10.055
  339   2HA   GLY  50          HA1       GLY  50  18.817   4.567  10.638
  340    H    ASP  51           H        ASP  51  19.671   2.512  11.133
  341    HA   ASP  51           HA       ASP  51  21.211   1.015   9.149
  342   1HB   ASP  51          HB2       ASP  51  20.798  -0.885  10.838
  343   2HB   ASP  51          HB1       ASP  51  21.736   0.496  11.407
  344    H    MET  52           H        MET  52  17.926   1.674   9.599
  345    HA   MET  52           HA       MET  52  17.046  -0.899   8.408
  346   1HB   MET  52          HB2       MET  52  15.728   1.341   9.860
  347   2HB   MET  52          HB1       MET  52  14.761   0.511   8.640
  348   1HG   MET  52          HG2       MET  52  15.766  -1.649   9.830
  349   2HG   MET  52          HG1       MET  52  15.898  -0.541  11.196
  350   1HE   MET  52          HE1       MET  52  14.002   1.105  11.807
  351   2HE   MET  52          HE2       MET  52  14.046  -0.306  12.860
  352   3HE   MET  52          HE3       MET  52  12.496   0.321  12.305
  353    HA   PRO  53           HA       PRO  53  16.816   0.862   4.389
  354   1HB   PRO  53          HB2       PRO  53  15.025  -0.915   3.294
  355   2HB   PRO  53          HB1       PRO  53  16.726  -1.304   3.601
  356   1HG   PRO  53          HG2       PRO  53  14.304  -2.176   5.104
  357   2HG   PRO  53          HG1       PRO  53  15.876  -2.977   4.947
  358   1HD   PRO  53          HD2       PRO  53  14.992  -1.487   7.186
  359   2HD   PRO  53          HD1       PRO  53  16.663  -2.005   6.869
  360    H    ASP  54           H        ASP  54  14.770   1.183   2.690
  361    HA   ASP  54           HA       ASP  54  12.891   2.917   4.196
  362   1HB   ASP  54          HB2       ASP  54  12.987   2.703   1.196
  363   2HB   ASP  54          HB1       ASP  54  12.567   4.095   2.196
  364    H    ASP  55           H        ASP  55  10.663   2.944   2.627
  365    HA   ASP  55           HA       ASP  55   9.804   0.100   2.358
  366   1HB   ASP  55          HB2       ASP  55   8.225   2.242   3.820
  367   2HB   ASP  55          HB1       ASP  55   7.726   0.568   3.565
  368    H    ARG  56           H        ARG  56   8.772  -0.175   0.423
  369    HA   ARG  56           HA       ARG  56   7.551   2.236  -0.828
  370   1HB   ARG  56          HB2       ARG  56   9.265   0.066  -2.028
  371   2HB   ARG  56          HB1       ARG  56   8.199   1.058  -3.018
  372   1HG   ARG  56          HG2       ARG  56   9.351   3.058  -2.453
  373   2HG   ARG  56          HG1       ARG  56  10.191   2.281  -1.109
  374   1HD   ARG  56          HD2       ARG  56  10.959   0.691  -3.194
  375   2HD   ARG  56          HD1       ARG  56  10.830   2.258  -3.993
  376    HE   ARG  56           HE       ARG  56  12.380   2.116  -1.464
  377   1HH1  ARG  56          1HH2      ARG  56  13.280   0.972  -4.331
  378   2HH1  ARG  56          2HH2      ARG  56  14.412   2.214  -4.748
  379   1HH2  ARG  56          1HH1      ARG  56  13.378   4.368  -2.236
  380   2HH2  ARG  56          2HH1      ARG  56  14.469   4.137  -3.561
  381    H    CYS  57           H        CYS  57   5.463   1.948  -1.566
  382    HA   CYS  57           HA       CYS  57   3.994  -0.403  -0.841
  383   1HB   CYS  57          HB2       CYS  57   3.374   1.846  -2.766
  384   2HB   CYS  57          HB1       CYS  57   2.240   0.543  -2.439
  385    H    THR  58           H        THR  58   2.975  -1.953  -2.346
  386    HA   THR  58           HA       THR  58   4.881  -2.703  -4.489
  387    HB   THR  58           HB       THR  58   4.112  -4.889  -4.252
  388    HG1  THR  58           HG1      THR  58   1.958  -5.082  -3.050
  389   1HG2  THR  58          1HG2      THR  58   4.295  -5.344  -1.988
  390   2HG2  THR  58          2HG2      THR  58   3.239  -4.008  -1.527
  391   3HG2  THR  58          3HG2      THR  58   4.901  -3.688  -2.025
  392    H    GLY  59           H        GLY  59   2.485  -0.633  -4.518
  393   1HA   GLY  59          HA2       GLY  59   1.359   0.207  -6.446
  394   2HA   GLY  59          HA1       GLY  59   1.735  -1.295  -7.289
  395    H    GLN  60           H        GLN  60   0.669  -2.779  -4.817
  396    HA   GLN  60           HA       GLN  60  -2.226  -2.441  -5.484
  397   1HB   GLN  60          HB2       GLN  60  -1.139  -4.982  -4.320
  398   2HB   GLN  60          HB1       GLN  60  -2.518  -4.747  -5.395
  399   1HG   GLN  60          HG2       GLN  60  -0.409  -3.831  -6.923
  400   2HG   GLN  60          HG1       GLN  60   0.309  -5.188  -6.053
  401   1HE2  GLN  60          1HE2      GLN  60  -0.252  -7.288  -6.747
  402   2HE2  GLN  60          2HE2      GLN  60  -1.435  -7.617  -7.919
  403    H    SER  61           H        SER  61   0.097  -2.074  -3.073
  404    HA   SER  61           HA       SER  61  -1.847  -2.577  -0.877
  405   1HB   SER  61          HB2       SER  61   1.059  -1.763  -0.642
  406   2HB   SER  61          HB1       SER  61   0.033  -2.443   0.618
  407    HG   SER  61           HG       SER  61   0.851  -3.713  -1.792
  408    H    ALA  62           H        ALA  62  -3.159  -0.831  -0.547
  409    HA   ALA  62           HA       ALA  62  -2.463   1.866  -1.246
  410   1HB   ALA  62          HB1       ALA  62  -4.749   1.692  -1.073
  411   2HB   ALA  62          HB2       ALA  62  -4.412   2.258   0.563
  412   3HB   ALA  62          HB3       ALA  62  -4.665   0.540   0.259
  413    H    ASP  63           H        ASP  63  -2.622   0.205   1.917
  414    HA   ASP  63           HA       ASP  63  -1.404   2.494   3.273
  415   1HB   ASP  63          HB2       ASP  63  -1.767  -0.330   4.315
  416   2HB   ASP  63          HB1       ASP  63  -1.525   1.134   5.267
  417    H    CYS  64           H        CYS  64   0.583   1.753   4.796
  418    HA   CYS  64           HA       CYS  64   2.503   0.251   3.074
  419   1HB   CYS  64          HB2       CYS  64   2.959   2.601   2.756
  420   2HB   CYS  64          HB1       CYS  64   2.971   2.884   4.495
  421    HA   PRO  65           HA       PRO  65   2.999  -1.806   6.963
  422   1HB   PRO  65          HB2       PRO  65   4.445  -3.857   5.870
  423   2HB   PRO  65          HB1       PRO  65   2.683  -3.783   5.818
  424   1HG   PRO  65          HG2       PRO  65   4.663  -3.347   3.645
  425   2HG   PRO  65          HG1       PRO  65   2.961  -3.824   3.532
  426   1HD   PRO  65          HD2       PRO  65   4.018  -1.233   3.062
  427   2HD   PRO  65          HD1       PRO  65   2.301  -1.663   3.209
  428    H    ARG  66           H        ARG  66   5.318  -3.210   7.540
  429    HA   ARG  66           HA       ARG  66   7.315  -1.019   7.667
  430   1HB   ARG  66          HB2       ARG  66   7.382  -3.710   9.063
  431   2HB   ARG  66          HB1       ARG  66   8.333  -2.277   9.457
  432   1HG   ARG  66          HG2       ARG  66   6.008  -1.120   9.752
  433   2HG   ARG  66          HG1       ARG  66   5.398  -2.769   9.895
  434   1HD   ARG  66          HD2       ARG  66   7.823  -2.159  11.486
  435   2HD   ARG  66          HD1       ARG  66   6.345  -1.345  12.003
  436    HE   ARG  66           HE       ARG  66   6.596  -4.318  11.766
  437   1HH1  ARG  66          1HH2      ARG  66   6.791  -2.861  14.435
  438   2HH1  ARG  66          2HH2      ARG  66   5.178  -3.046  15.037
  439   1HH2  ARG  66          1HH1      ARG  66   3.851  -3.947  11.963
  440   2HH2  ARG  66          2HH1      ARG  66   3.513  -3.661  13.637
  441    H    TYR  67           H        TYR  67   9.620  -2.670   8.002
  442    HA   TYR  67           HA       TYR  67  10.124  -3.317   5.176
  443   1HB   TYR  67          HB2       TYR  67  12.440  -3.444   5.797
  444   2HB   TYR  67          HB1       TYR  67  11.764  -2.068   6.669
  445    HD1  TYR  67           HD1      TYR  67  12.780  -5.626   6.981
  446    HD2  TYR  67           HD2      TYR  67  11.614  -2.051   9.057
  447    HE1  TYR  67           HE1      TYR  67  13.447  -6.660   9.134
  448    HE2  TYR  67           HE2      TYR  67  12.282  -3.084  11.210
  449    HH   TYR  67           HH       TYR  67  14.099  -5.104  11.795
  450    H    HIS  68           H        HIS  68  10.010  -5.012   8.302
  451    HA   HIS  68           HA       HIS  68  10.850  -7.563   7.326
  452   1HB   HIS  68          HB2       HIS  68  10.342  -6.635   9.786
  453   2HB   HIS  68          HB1       HIS  68   8.797  -7.431   9.489
  454    HD1  HIS  68           HD1      HIS  68   9.452  -9.948   8.094
  455    HD2  HIS  68           HD2      HIS  68  11.928  -8.466  11.102
  456    HE1  HIS  68           HE1      HIS  68  10.798 -11.916   8.949