<PRE>
*HEADER   CHAPERONE                               20-AUG-98   1BQZ    
*TITLE    J-DOMAIN (RESIDUES 1-77) OF THE ESCHERICHIA COLI N-TERMINAL 
*TITLE   2 FRAGMENT (RESIDUES 1-78) OF THE MOLECULAR CHAPERONE DNAJ,  
*TITLE   3 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNAJ;                                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: N-TERMINAL FRAGMENT (RESIDUES 1-78);             
*COMPND  6 SYNONYM: HSP40;                                            
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 BIOLOGICAL_UNIT: HOMODIMER                                 
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 PLASMID: PDNAJ(1-78)11D;                                   
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: MGT7;                            
*SOURCE  6 EXPRESSION_SYSTEM_VECTOR: T7;                              
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PET11D                          
*KEYWDS   CHAPERONE, HEAT SHOCK, PROTEIN FOLDING, DNAK                
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   K.HUANG,J.M.FLANAGAN,J.H.PRESTEGARD                         
*REVDAT  1   15-JUN-99 1BQZ    0                                      
 
Torsion angle constraints for DnaJ(1-78)\\                                      
                                                                                
assign  \= (resid 4 and name n) (resid 4 and name ca)\\                         
                                                                                
\>      (resid 4 and name cb)   (resid 4 and name cg) 1.0 60 60 2\\             
                                                                                
assign  \= (resid 5 and name n) (resid 5 and name ca)\\                         
                                                                                
\>      (resid 5 and name cb)   (resid 5 and name cg) 1.0 60 60 2\\             
                                                                                
assign  \= (resid 9 and name n) (resid 9 and name ca)\\                         
                                                                                
\>      (resid 9 and name cb)   (resid 9 and name cg) 1.0 -60 60 2\\            
                                                                                
assign  \= (resid 13 and name n)        (resid 13 and name ca)\\                
                                                                                
\>      (resid 13 and name cb)  (resid 13 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 16 and name n)        (resid 16 and name ca)\\                
                                                                                
\>      (resid 16 and name cb)  (resid 16 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 18 and name n)        (resid 18 and name ca)\\                
                                                                                
\>      (resid 18 and name cb)  (resid 18 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 19 and name n)        (resid 19 and name ca)\\                
                                                                                
\>      (resid 19 and name cb)  (resid 19 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 21 and name n)        (resid 21 and name ca)\\                
                                                                                
\>      (resid 21 and name cb)  (resid 21 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 27 and name n)        (resid 27 and name ca)\\                
                                                                                
\>      (resid 27 and name cb)  (resid 27 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 29 and name n)        (resid 29 and name ca)\\                
                                                                                
\>      (resid 29 and name cb)  (resid 29 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 31 and name n)        (resid 31 and name ca)\\                
                                                                                
\>      (resid 31 and name cb)  (resid 31 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 34 and name n)        (resid 34 and name ca)\\                
                                                                                
\>      (resid 34 and name cb)  (resid 34 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 36 and name n)        (resid 36 and name ca)\\                
                                                                                
\>      (resid 36 and name cb)  (resid 36 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 37 and name n)        (resid 37 and name ca)\\                
                                                                                
\>      (resid 37 and name cb)  (resid 37 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 46 and name n)        (resid 46 and name ca)\\                
                                                                                
\>      (resid 46 and name cb)  (resid 46 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 47 and name n)        (resid 47 and name ca)\\                
                                                                                
\>      (resid 47 and name cb)  (resid 47 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 48 and name n)        (resid 48 and name ca)\\                
                                                                                
\>      (resid 48 and name cb)  (resid 48 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 56 and name n)        (resid 56 and name ca)\\                
                                                                                
\>      (resid 56 and name cb)  (resid 56 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 58 and name n)        (resid 58 and name ca)\\                
                                                                                
\>      (resid 58 and name cb)  (resid 58 and name cg) 1.0 180 60 2\\           
                                                                                
assign  \= (resid 61 and name n)        (resid 61 and name ca)\\                
                                                                                
\>      (resid 61 and name cb)  (resid 61 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 66 and name n)        (resid 66 and name ca)\\                
                                                                                
\>      (resid 66 and name cb)  (resid 66 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 68 and name n)        (resid 68 and name ca)\\                
                                                                                
\>      (resid 68 and name cb)  (resid 68 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 70 and name n)        (resid 70 and name ca)\\                
                                                                                
\>      (resid 70 and name cb)  (resid 70 and name cg) 1.0 60 60 2\\            
                                                                                
assign  \= (resid 73 and name n)        (resid 73 and name ca)\\                
                                                                                
\>      (resid 73 and name cb)  (resid 73 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 74 and name n)        (resid 74 and name ca)\\                
                                                                                
\>      (resid 74 and name cb)  (resid 74 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 75 and name n)        (resid 75 and name ca)\\                
                                                                                
\>      (resid 75 and name cb)  (resid 75 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  \= (resid 14 and name n)        (resid 14 and name ca)\\                
                                                                                
\>      (resid 14 and name cb)  (resid 14 and name og1) 1.0 60 60 2\\           
                                                                                
assign  \= (resid 57 and name n)        (resid 57 and name ca)\\                
                                                                                
\>      (resid 57 and name cb)  (resid 57 and name og1) 1.0 60 60 2\\           
                                                                                
assign  \= (resid 11 and name n)        (resid 11 and name ca)\\                
                                                                                
\>      (resid 11 and name cb)  (resid 11 and name cg1) 1.0 180 60 2\\          
                                                                                
assign  \= (resid 55 and name n)        (resid 55 and name ca)\\                
                                                                                
\>      (resid 55 and name cb)  (resid 55 and name cg1) 1.0 60 60 2\\           
                                                                                
assign  \= (resid 49 and name n)        (resid 49 and name ca)\\                
                                                                                
\>      (resid 49 and name cb)  (resid 49 and name cg1) 1.0 -60 60 2\\          
                                                                                
assign  (resid 20 and name n)   (resid 20 and name ca)\\                        
                                                                                
\>      (resid 20 and name cb)  (resid 20 and name cg1) 1.0 -60 60 2\\          
                                                                                
assign  (resid 8 and name n)    (resid 8 and name ca)\\                         
                                                                                
\>      (resid 8 and name cb)   (resid 8 and name cg1) 1.0 -60 60 2\\           
                                                                                
assign  (resid 5 and name c)    (resid 6 and name n)\\                          
                                                                                
\>      (resid 6 and name ca)   (resid 6 and name c) 1.0 -57 30 2\\             
                                                                                
assign  (resid 6 and name c)    (resid 7 and name n)\\                          
                                                                                
\>      (resid 7 and name ca)   (resid 7 and name c) 1.0 -57 30 2\\             
                                                                                
assign  (resid 7 and name c)    (resid 8 and name n)\\                          
                                                                                
\>      (resid 8 and name ca)   (resid 8 and name c) 1.0 -57 30 2\\             
                                                                                
assign  (resid 8 and name c)    (resid 9 and name n)\\                          
                                                                                
\>      (resid 9 and name ca)   (resid 9 and name c) 1.0 -57 30 2\\             
                                                                                
assign  (resid 10 and name c)   (resid 11 and name n)\\                         
                                                                                
\>      (resid 11 and name ca)  (resid 11 and name c) 1.0 -120 30 2\\           
                                                                                
assign  (resid 11 and name c)   (resid 12 and name n)\\                         
                                                                                
\>      (resid 12 and name ca)  (resid 12 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 12 and name c)   (resid 13 and name n)\\                         
                                                                                
\>      (resid 13 and name ca)  (resid 13 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 13 and name c)   (resid 14 and name n)\\                         
                                                                                
\>      (resid 14 and name ca)  (resid 14 and name c) 1.0 -120 30 2\\           
                                                                                
assign  (resid 14 and name c)   (resid 15 and name n)\\                         
                                                                                
\>      (resid 15 and name ca)  (resid 15 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 16 and name c)   (resid 17 and name n)\\                         
                                                                                
\>      (resid 17 and name ca)  (resid 17 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 17 and name c)   (resid 18 and name n)\\                         
                                                                                
\>      (resid 18 and name ca)  (resid 18 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 19 and name c)   (resid 20 and name n)\\                         
                                                                                
\>      (resid 20 and name ca)  (resid 20 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 20 and name c)   (resid 21 and name n)\\                         
                                                                                
\>      (resid 21 and name ca)  (resid 21 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 21 and name c)   (resid 22 and name n)\\                         
                                                                                
\>      (resid 22 and name ca)  (resid 22 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 22 and name c)   (resid 23 and name n)\\                         
                                                                                
\>      (resid 23 and name ca)  (resid 23 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 23 and name c)   (resid 24 and name n)\\                         
                                                                                
\>      (resid 24 and name ca)  (resid 24 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 24 and name c)   (resid 25 and name n)\\                         
                                                                                
\>      (resid 25 and name ca)  (resid 25 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 25 and name c)   (resid 26 and name n)\\                         
                                                                                
\>      (resid 26 and name ca)  (resid 26 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 26 and name c)   (resid 27 and name n)\\                         
                                                                                
\>      (resid 27 and name ca)  (resid 27 and name c) 1.0 -57 20 2\\            
                                                                                
assign  (resid 27 and name c)   (resid 28 and name n)\\                         
                                                                                
\>      (resid 28 and name ca)  (resid 28 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 28 and name c)   (resid 29 and name n)\\                         
                                                                                
\>      (resid 29 and name ca)  (resid 29 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 29 and name c)   (resid 30 and name n)\\                         
                                                                                
\>      (resid 30 and name ca)  (resid 30 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 30 and name c)   (resid 31 and name n)\\                         
                                                                                
\>      (resid 31 and name ca)  (resid 31 and name c) 1.0 -120 30 2\\           
                                                                                
assign  (resid 31 and name c)   (resid 32 and name n)\\                         
                                                                                
\>        (resid 32 and name ca)  (resid 32 and name c) 1.0 -57 30 2 \\         
                                                                                
assign  (resid 34 and name c)   (resid 35 and name n)\\                         
                                                                                
\>      (resid 35 and name ca)  (resid 35 and name c) 1.0 -120 30 2\\           
                                                                                
assign  (resid 36 and name c)   (resid 37 and name n)\\                         
                                                                                
\>      (resid 37 and name ca)  (resid 37 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 39 and name c)   (resid 40 and name n)\\                         
                                                                                
\>      (resid 40 and name ca)  (resid 40 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 41 and name c)   (resid 42 and name n)\\                         
                                                                                
\>      (resid 42 and name ca)  (resid 42 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 42 and name c)   (resid 43 and name n)\\                         
                                                                                
\>      (resid 43 and name ca)  (resid 43 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 43 and name c)   (resid 44 and name n)\\                         
                                                                                
\>      (resid 44 and name ca)  (resid 44 and name c) 1.0 -57 20 2\\            
                                                                                
assign  (resid 44 and name c)   (resid 45 and name n)\\                         
                                                                                
\>      (resid 45 and name ca)  (resid 45 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 45 and name c)   (resid 46 and name n)\\                         
                                                                                
\>      (resid 46 and name ca)  (resid 46 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 46 and name c)   (resid 47 and name n)\\                         
                                                                                
\>      (resid 47 and name ca)  (resid 47 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 47 and name c)   (resid 48 and name n)\\                         
                                                                                
\>      (resid 48 and name ca)  (resid 48 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 48 and name c)   (resid 49 and name n)\\                         
                                                                                
\>      (resid 49 and name ca)  (resid 49 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 49 and name c)   (resid 50 and name n)\\                         
                                                                                
\>      (resid 50 and name ca)  (resid 50 and name c) 1.0 -57 20 2\\            
                                                                                
assign  (resid 51 and name c)   (resid 52 and name n)\\                         
                                                                                
\>      (resid 52 and name ca)  (resid 52 and name c) 1.0 -57 20 2\\            
                                                                                
assign  (resid 52 and name c)   (resid 53 and name n)\\                         
                                                                                
\>      (resid 53 and name ca)  (resid 53 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 53 and name c)   (resid 54 and name n)\\                         
                                                                                
\>      (resid 54 and name ca)  (resid 54 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 55 and name c)   (resid 56 and name n)\\                         
                                                                                
\>      (resid 56 and name ca)  (resid 56 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 56 and name c)   (resid 57 and name n)\\                         
                                                                                
\>      (resid 57 and name ca)  (resid 57 and name c) 1.0 -120 30 2\\           
                                                                                
assign  (resid 57 and name c)   (resid 58 and name n)\\                         
                                                                                
\>      (resid 58 and name ca)  (resid 58 and name c) 1.0 -120 30 2\\           
                                                                                
assign  (resid 58 and name c)   (resid 59 and name n)\\                         
                                                                                
\>        (resid 59 and name ca)  (resid 59 and name c) 1.0 -57 30 2\\          
                                                                                
assign  (resid 59 and name c)   (resid 60 and name n)\\                         
                                                                                
\>      (resid 60 and name ca)  (resid 60 and name c) 1.0 -57 20 2\\            
                                                                                
assign  (resid 60 and name c)   (resid 61 and name n)\\                         
                                                                                
\>      (resid 61 and name ca)  (resid 61 and name c) 1.0 -57 20 2\\            
                                                                                
assign  (resid 61 and name c)   (resid 62 and name n)\\                         
                                                                                
\>      (resid 62 and name ca)  (resid 62 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 62 and name c)   (resid 63 and name n)\\                         
                                                                                
\>      (resid 63 and name ca)  (resid 63 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 63 and name c)   (resid 64 and name n)\\                         
                                                                                
\>      (resid 64 and name ca)  (resid 64 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 64 and name c)   (resid 65 and name n)\\                         
                                                                                
\>      (resid 65 and name ca)  (resid 65 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 65 and name c)   (resid 66 and name n)\\                         
                                                                                
\>      (resid 66 and name ca)  (resid 66 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 69 and name c)   (resid 70 and name n)\\                         
                                                                                
\>      (resid 70 and name ca)  (resid 70 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 70 and name c)   (resid 71 and name n)\\                         
                                                                                
\>      (resid 71 and name ca)  (resid 71 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 71 and name c)   (resid 72 and name n)\\                         
                                                                                
\>      (resid 72 and name ca)  (resid 72 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 72 and name c)   (resid 73 and name n)\\                         
                                                                                
\>      (resid 73 and name ca)  (resid 73 and name c) 1.0 -120 30 2\\           
                                                                                
                                                                                
Distance constraints for DnaJ(1-78)\\                                           
                                                                                
assign (resid 1 and name ha) (resid 1 and name hb\#) 3.567000 1.767 1.433 ! a a\
                                                                                
assign (resid 2 and name hb\#) (resid 2 and name ha) 3.471000 1.671 1.529 ! k k\
                                                                                
assign (resid 2 and name ha) (resid 3 and name hn) 2.797000 0.997 0.203 ! k q\\ 
                                                                                
assign (resid 2 and name hb\#) (resid 2 and name he\#) 3.629000 1.829 1.371 ! k 
                                                                                
assign (resid 2 and name hb\#) (resid 3 and name hn) 3.693000 1.893 2.307 ! k q\
                                                                                
assign (resid 3 and name ha) (resid 4 and name hn) 2.887000 1.087 0.113 ! q d\\ 
                                                                                
assign (resid 3 and name hb\#) (resid 4 and name hn) 3.331000 1.531 2.669 ! q d\
                                                                                
assign (resid 3 and name hb\#) (resid 8 and name hd1\#) 3.781000 1.981 3.219 ! q
                                                                                
assign (resid 3 and name hb\#) (resid 3 and name hn) 3.205000 1.405 0.695 ! q q\
                                                                                
assign (resid 3 and name hb\#) (resid 3 and name he2\#) 3.016000 1.216 0.284 ! q
                                                                                
assign (resid 3 and name ha) (resid 3 and name hn) 3.222000 1.422 0.778 ! q q\\ 
                                                                                
assign (resid 3 and name hg\#) (resid 3 and name ha) 2.949000 1.149 0.951 ! q q\
                                                                                
assign (resid 3 and name hb\#) (resid 3 and name ha) 3.097000 1.297 0.203 ! q q\
                                                                                
assign (resid 4 and name ha) (resid 4 and name hb1) 3.329000 1.529 1.671 ! d d\\
                                                                                
assign (resid 4 and name ha) (resid 4 and name hn) 3.488000 1.688 0.512 ! d d\\ 
                                                                                
assign (resid 4 and name ha) (resid 5 and name hn) 3.168000 1.368 0.832 ! d y\\ 
                                                                                
assign (resid 4 and name hb2) (resid 7 and name hn) 5.000000 3.200 0.000 ! d e\\
                                                                                
assign (resid 4 and name hb2) (resid 4 and name hn) 3.448000 1.648 1.552 ! d d\\
                                                                                
assign (resid 4 and name hb2) (resid 7 and name hb\#) 3.609000 1.809 2.391 ! d e
                                                                                
assign (resid 4 and name hb2) (resid 4 and name ha) 3.751000 1.951 1.249 ! d d\\
                                                                                
assign (resid 4 and name ha) (resid 7 and name hb\#) 5.000000 3.200 1.000 ! d e\
                                                                                
assign (resid 4 and name hb2) (resid 4 and name hb1) 3.032000 1.232 0.268 ! d d\
                                                                                
assign (resid 4 and name ha) (resid 7 and name hn) 4.000000 2.200 0.000 ! d e\\ 
                                                                                
assign (resid 4 and name ha) (resid 5 and name hb1) 5.000000 3.200 0.000 ! d y\\
                                                                                
assign (resid 4 and name hb1) (resid 4 and name hn) 3.352000 1.552 1.648 ! d d\\
                                                                                
assign (resid 5 and name hn) (resid 4 and name hb2) 3.869000 2.069 1.131 ! y d\\
                                                                                
assign (resid 5 and name ha) (resid 5 and name hd\#) 3.204000 1.404 1.096 ! y y\
                                                                                
assign (resid 5 and name ha) (resid 8 and name hd1\#) 3.778000 1.978 2.222 ! y i
                                                                                
assign (resid 5 and name hb2) (resid 5 and name hd\#) 3.790000 1.990 1.210 ! y y
                                                                                
assign (resid 5 and name hb1) (resid 5 and name ha) 3.477000 1.677 1.523 ! y y\\
                                                                                
assign (resid 5 and name ha) (resid 52 and name hb\#) 4.026000 2.226 1.974 ! y a
                                                                                
assign (resid 5 and name ha) (resid 5 and name hb2) 3.481000 1.681 1.519 ! y y\\
                                                                                
assign (resid 5 and name hn) (resid 6 and name hn) 3.667000 1.867 0.333 ! y y\\ 
                                                                                
assign (resid 5 and name hb1) (resid 52 and name ha) 3.269000 1.469 0.031 ! y a\
                                                                                
assign (resid 5 and name hn) (resid 4 and name hb1) 3.544000 1.744 1.456 ! y d\\
                                                                                
assign (resid 5 and name hb2) (resid 5 and name hn) 5.000000 3.200 0.000 ! y y\\
                                                                                
assign (resid 5 and name hb1) (resid 5 and name hd\#) 3.587000 1.787 1.413 ! y y
                                                                                
assign (resid 5 and name hb1) (resid 5 and name hn) 5.000000 3.200 0.000 ! y y\\
                                                                                
assign (resid 5 and name hb2) (resid 5 and name hb1) 3.314000 1.514 1.686 ! y y\
                                                                                
assign (resid 5 and name hb2) (resid 52 and name hb\#) 4.217000 2.417 1.783 ! y 
                                                                                
assign (resid 5 and name hb2) (resid 56 and name hd\#) 4.376000 2.576 3.024 ! y 
                                                                                
assign (resid 5 and name hb2) (resid 6 and name hn) 5.000000 3.200 0.000 ! y y\\
                                                                                
assign (resid 5 and name hb2) (resid 8 and name hg2\#) 5.000000 3.200 1.000 ! y 
                                                                                
assign (resid 5 and name ha) (resid 8 and name hb) 3.248000 1.448 0.052 ! y i\\ 
                                                                                
assign (resid 6 and name ha) (resid 9 and name hd\#) 3.963000 2.163 3.437 ! y l\
                                                                                
assign (resid 6 and name ha) (resid 6 and name hd\#) 3.523000 1.723 2.477 ! y y\
                                                                                
assign (resid 6 and name hb\#) (resid 7 and name hn) 3.564000 1.764 2.436 ! y e\
                                                                                
assign (resid 6 and name hb\#) (resid 11 and name hg1\#) 4.221000 2.421 2.779 ! 
                                                                                
assign (resid 6 and name hb\#) (resid 6 and name hd\#) 3.358000 1.558 1.642 ! y 
                                                                                
assign (resid 6 and name ha) (resid 9 and name hn) 4.000000 2.200 0.000 ! y l\\ 
                                                                                
assign (resid 6 and name ha) (resid 6 and name hn) 3.690000 1.890 0.310 ! y y\\ 
                                                                                
assign (resid 6 and name hn) (resid 7 and name hn) 3.193000 1.393 0.807 ! y e\\ 
                                                                                
assign (resid 6 and name hb\#) (resid 6 and name hn) 3.501000 1.701 2.099 ! y y\
                                                                                
assign (resid 6 and name hb\#) (resid 13 and name ha) 5.000000 3.200 1.000 ! y k
                                                                                
assign (resid 6 and name ha) (resid 11 and name hn) 4.000000 2.200 0.000 ! y v\\
                                                                                
assign (resid 6 and name ha) (resid 6 and name hb\#) 3.296000 1.496 0.004 ! y y\
                                                                                
assign (resid 6 and name ha) (resid 56 and name hd\#) 4.177000 2.377 3.223 ! y l
                                                                                
assign (resid 7 and name hn) (resid 4 and name hb1) 3.126000 1.326 0.774 ! e d\\
                                                                                
assign (resid 7 and name hn) (resid 9 and name hn) 4.000000 2.200 0.000 ! e l\\ 
                                                                                
assign (resid 7 and name ha) (resid 7 and name hn) 2.989000 1.189 0.011 ! e e\\ 
                                                                                
assign (resid 7 and name hn) (resid 6 and name ha) 3.673000 1.873 0.327 ! e y\\ 
                                                                                
assign (resid 7 and name hn) (resid 8 and name hn) 2.905000 1.105 0.095 ! e i\\ 
                                                                                
assign (resid 7 and name hn) (resid 5 and name hn) 3.589000 1.789 0.411 ! e y\\ 
                                                                                
assign (resid 7 and name hn) (resid 6 and name he\#) 3.326000 1.526 3.674 ! e y\
                                                                                
assign (resid 7 and name ha) (resid 7 and name hb\#) 2.776000 0.976 0.524 ! e e\
                                                                                
assign (resid 7 and name ha) (resid 6 and name hb\#) 3.410000 1.610 2.590 ! e y\
                                                                                
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assign (resid 20 and name hd1\#) (resid 9 and name hn) 3.792000 1.992 2.208 ! i 
                                                                                
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assign (resid 24 and name hb2) (resid 49 and name hg2\#) 4.293000 2.493 1.707 ! 
                                                                                
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assign (resid 36 and name hd2\#) (resid 35 and name hg\#) 3.610000 1.810 2.390 !
                                                                                
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assign (resid 67 and name hg\#) (resid 67 and name hn) 3.573000 1.773 2.427 ! q 
                                                                                
assign (resid 67 and name hg\#) (resid 66 and name ha) 3.584000 1.784 2.416 ! q 
                                                                                
assign (resid 67 and name ha) (resid 67 and name hb\#) 3.128000 1.328 0.172 ! q 
                                                                                
assign (resid 67 and name ha) (resid 67 and name hn) 3.204000 1.404 0.796 ! q q\
                                                                                
assign (resid 67 and name ha) (resid 67 and name hg\#) 3.186000 1.386 0.714 ! q 
                                                                                
assign (resid 67 and name hn) (resid 68 and name hn) 3.331000 1.531 0.669 ! q y\
                                                                                
assign (resid 68 and name hn) (resid 72 and name hb\#) 3.925000 2.125 2.075 ! y 
                                                                                
assign (resid 68 and name hb1) (resid 72 and name hb\#) 4.166000 2.366 1.834 ! y
                                                                                
assign (resid 68 and name hb1) (resid 71 and name hb\#) 4.324000 2.524 1.676 ! y
                                                                                
assign (resid 68 and name hb1) (resid 68 and name hd\#) 3.449000 1.649 1.551 ! y
                                                                                
assign (resid 68 and name hb1) (resid 68 and name hn) 3.647000 1.847 1.353 ! y y
                                                                                
assign (resid 68 and name hb2) (resid 68 and name hb1) 2.971000 1.171 0.329 ! y 
                                                                                
assign (resid 68 and name hb2) (resid 72 and name hb\#) 3.939000 2.139 2.061 ! y
                                                                                
assign (resid 68 and name hb2) (resid 68 and name hd\#) 3.386000 1.586 1.614 ! y
                                                                                
assign (resid 68 and name hb2) (resid 68 and name hn) 3.590000 1.790 1.410 ! y y
                                                                                
assign (resid 68 and name hb2) (resid 67 and name hn) 3.629000 1.829 1.371 ! y q
                                                                                
assign (resid 68 and name ha) (resid 68 and name hb2) 3.347000 1.547 1.653 ! y y
                                                                                
assign (resid 68 and name ha) (resid 68 and name hd\#) 3.279000 1.479 1.021 ! y 
                                                                                
assign (resid 68 and name ha) (resid 68 and name hb1) 3.255000 1.455 0.045 ! y y
                                                                                
assign (resid 68 and name hn) (resid 67 and name hb\#) 3.070000 1.270 1.230 ! y 
                                                                                
assign (resid 68 and name hn) (resid 69 and name hn) 3.190000 1.390 0.810 ! y g\
                                                                                
assign (resid 68 and name hn) (resid 67 and name ha) 3.236000 1.436 0.764 ! y q\
                                                                                
assign (resid 69 and name hn) (resid 68 and name hb1) 3.502000 1.702 1.498 ! g y
                                                                                
assign (resid 69 and name ha\#) (resid 69 and name hn) 3.151000 1.351 0.849 ! g 
                                                                                
assign (resid 69 and name ha\#) (resid 69 and name hn) 2.844000 1.044 0.156 ! g 
                                                                                
assign (resid 69 and name ha\#) (resid 72 and name hn) 3.092000 1.292 1.908 ! g 
                                                                                
assign (resid 69 and name hn) (resid 67 and name hn) 3.831000 2.031 0.169 ! g q\
                                                                                
assign (resid 69 and name hn) (resid 65 and name ha) 3.108000 1.308 0.892 ! g y\
                                                                                
assign (resid 69 and name hn) (resid 68 and name hb2) 3.803000 2.003 1.197 ! g y
                                                                                
assign (resid 69 and name hn) (resid 68 and name ha) 3.214000 1.414 0.786 ! g y\
                                                                                
assign (resid 70 and name hb1) (resid 70 and name hb2) 2.862000 1.062 0.438 ! h 
                                                                                
assign (resid 70 and name hb2) (resid 70 and name hn) 3.753000 1.953 1.247 ! h h
                                                                                
assign (resid 70 and name hb1) (resid 70 and name hn) 3.709000 1.909 1.291 ! h h
                                                                                
assign (resid 70 and name ha) (resid 71 and name hn) 3.649000 1.849 0.351 ! h a\
                                                                                
assign (resid 70 and name ha) (resid 70 and name hb2) 3.235000 1.435 0.065 ! h h
                                                                                
assign (resid 70 and name ha) (resid 69 and name hn) 3.591000 1.791 1.409 ! h g\
                                                                                
assign (resid 70 and name ha) (resid 70 and name hb1) 3.384000 1.584 1.616 ! h h
                                                                                
assign (resid 70 and name ha) (resid 70 and name hd\#) 3.519000 1.719 1.481 ! h 
                                                                                
assign (resid 70 and name hn) (resid 71 and name hn) 4.000000 2.200 0.000 ! h a\
                                                                                
assign (resid 70 and name hn) (resid 69 and name ha\#) 3.135000 1.335 1.865 ! h 
                                                                                
assign (resid 71 and name ha) (resid 74 and name hg\#) 3.484000 1.684 2.516 ! a 
                                                                                
assign (resid 71 and name ha) (resid 71 and name hb\#) 3.302000 1.502 1.698 ! a 
                                                                                
assign (resid 71 and name ha) (resid 74 and name hb\#) 3.486000 1.686 2.514 ! a 
                                                                                
assign (resid 71 and name ha) (resid 71 and name hn) 3.310000 1.510 0.690 ! a a\
                                                                                
assign (resid 71 and name hn) (resid 70 and name hb\#) 3.532000 1.732 2.468 ! a 
                                                                                
assign (resid 71 and name hn) (resid 72 and name hn) 4.000000 2.200 0.000 ! a a\
                                                                                
assign (resid 71 and name hn) (resid 69 and name ha\#) 4.000000 2.200 1.000 ! a 
                                                                                
assign (resid 72 and name hn) (resid 68 and name hb1) 4.317000 2.517 0.683 ! a y
                                                                                
assign (resid 72 and name hb\#) (resid 72 and name hn) 3.330000 1.530 2.270 ! a 
                                                                                
assign (resid 72 and name ha) (resid 72 and name hn) 3.300000 1.500 0.700 ! a a\
                                                                                
assign (resid 72 and name ha) (resid 72 and name hb\#) 3.441000 1.641 1.559 ! a 
                                                                                
assign (resid 72 and name hn) (resid 71 and name hb\#) 3.788000 1.988 2.212 ! a 
                                                                                
assign (resid 72 and name hn) (resid 71 and name ha) 3.329000 1.529 0.671 ! a a\
                                                                                
assign (resid 72 and name hn) (resid 70 and name ha) 4.000000 2.200 0.000 ! a h\
                                                                                
assign (resid 72 and name hn) (resid 68 and name hb2) 4.030000 2.230 0.970 ! a y
                                                                                
assign (resid 73 and name hb1) (resid 73 and name hd\#) 3.406000 1.606 1.594 ! f
                                                                                
assign (resid 73 and name hb1) (resid 73 and name hn) 3.545000 1.745 1.455 ! f f
                                                                                
assign (resid 73 and name hb2) (resid 73 and name hn) 3.432000 1.632 1.568 ! f f
                                                                                
assign (resid 73 and name hb2) (resid 73 and name hd\#) 3.451000 1.651 1.549 ! f
                                                                                
assign (resid 73 and name hb2) (resid 73 and name hb1) 2.814000 1.014 0.486 ! f 
                                                                                
assign (resid 73 and name ha) (resid 73 and name hb2) 3.344000 1.544 1.656 ! f f
                                                                                
assign (resid 73 and name ha) (resid 73 and name hd\#) 3.242000 1.442 1.058 ! f 
                                                                                
assign (resid 73 and name ha) (resid 73 and name hb1) 3.153000 1.353 0.147 ! f f
                                                                                
assign (resid 73 and name ha) (resid 74 and name hn) 3.382000 1.582 0.618 ! f e\
                                                                                
assign (resid 73 and name ha) (resid 73 and name hn) 3.402000 1.602 0.598 ! f f\
                                                                                
assign (resid 73 and name hn) (resid 71 and name hb\#) 4.995000 3.195 1.005 ! f 
                                                                                
assign (resid 73 and name hn) (resid 74 and name hn) 2.530000 0.730 0.470 ! f e\
                                                                                
assign (resid 73 and name hn) (resid 71 and name hn) 3.736000 1.936 0.264 ! f a\
                                                                                
assign (resid 73 and name hn) (resid 72 and name hb\#) 3.905000 2.105 2.095 ! f 
                                                                                
assign (resid 73 and name hn) (resid 72 and name ha) 3.557000 1.757 0.443 ! f a\
                                                                                
assign (resid 73 and name hn) (resid 71 and name ha) 3.942000 2.142 0.058 ! f a\
                                                                                
assign (resid 74 and name hb\#) (resid 73 and name ha) 3.570000 1.770 2.430 ! e 
                                                                                
assign (resid 74 and name hg\#) (resid 73 and name ha) 3.232000 1.432 1.068 ! e 
                                                                                
assign (resid 74 and name ha) (resid 74 and name hb\#) 3.093000 1.293 0.207 ! e 
                                                                                
assign (resid 74 and name ha) (resid 74 and name hg\#) 3.129000 1.329 0.771 ! e 
                                                                                
assign (resid 74 and name ha) (resid 74 and name hn) 3.134000 1.334 0.866 ! e e\
                                                                                
assign (resid 74 and name hb2) (resid 74 and name hg\#) 2.846000 1.046 0.454 ! e
                                                                                
assign (resid 74 and name hb2) (resid 74 and name ha) 3.149000 1.349 0.151 ! e e
                                                                                
assign (resid 74 and name hn) (resid 73 and name hb2) 3.552000 1.752 1.448 ! e f
                                                                                
assign (resid 74 and name hn) (resid 73 and name hb1) 3.819000 2.019 1.181 ! e f
                                                                                
assign (resid 74 and name hn) (resid 71 and name ha) 3.831000 2.031 0.169 ! e a\
                                                                                
assign (resid 76 and name hn) (resid 75 and name ha) 3.414000 1.614 0.586 ! g q\
                                                                                
assign (resid 77 and name ha\#) (resid 77 and name hn) 3.071000 1.271 0.929 ! g 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT1      ALA   1  70.433 -11.926   3.876
    2   2H    ALA   1           HT3      ALA   1  70.003 -13.423   3.205
    3   3H    ALA   1           HT2      ALA   1  71.571 -13.186   3.814
    4    HA   ALA   1           HA       ALA   1  72.257 -11.955   2.016
    5   1HB   ALA   1           HB1      ALA   1  70.776 -14.335   1.645
    6   2HB   ALA   1           HB3      ALA   1  70.318 -13.270   0.316
    7   3HB   ALA   1           HB2      ALA   1  72.014 -13.677   0.573
    8    H    LYS   2           HN       LYS   2  68.705 -12.236   1.584
    9    HA   LYS   2           HA       LYS   2  68.578  -9.744   0.069
   10   1HB   LYS   2           HB2      LYS   2  66.846 -11.977   0.914
   11   2HB   LYS   2           HB1      LYS   2  66.008 -10.429   0.777
   12   1HG   LYS   2           HG2      LYS   2  67.545 -10.405  -1.488
   13   2HG   LYS   2           HG1      LYS   2  67.183 -12.124  -1.335
   14   1HD   LYS   2           HD2      LYS   2  64.764 -10.834  -0.755
   15   2HD   LYS   2           HD1      LYS   2  65.429  -9.949  -2.128
   16   1HE   LYS   2           HE2      LYS   2  65.925 -12.527  -2.901
   17   2HE   LYS   2           HE1      LYS   2  64.402 -12.719  -2.009
   18   1HZ   LYS   2           HZ1      LYS   2  64.760 -10.457  -3.863
   19   2HZ   LYS   2           HZ3      LYS   2  64.313 -11.976  -4.469
   20   3HZ   LYS   2           HZ2      LYS   2  63.322 -11.190  -3.335
   21    H    GLN   3           HN       GLN   3  66.667  -8.189   0.886
   22    HA   GLN   3           HA       GLN   3  67.164  -7.588   3.786
   23   1HB   GLN   3           HB2      GLN   3  67.580  -6.078   1.324
   24   2HB   GLN   3           HB1      GLN   3  66.548  -5.203   2.456
   25   1HG   GLN   3           HG2      GLN   3  68.405  -4.613   3.581
   26   2HG   GLN   3           HG1      GLN   3  68.602  -6.308   4.028
   27   1HE2  GLN   3          HE22      GLN   3  70.710  -4.941   0.762
   28   2HE2  GLN   3          HE21      GLN   3  69.206  -4.240   1.121
   29    H    ASP   4           HN       ASP   4  65.345  -5.603   4.186
   30    HA   ASP   4           HA       ASP   4  62.715  -6.666   3.226
   31   1HB   ASP   4           HB2      ASP   4  62.475  -5.718   5.920
   32   2HB   ASP   4           HB1      ASP   4  62.211  -7.354   5.325
   33    H    TYR   5           HN       TYR   5  62.011  -5.082   2.049
   34    HA   TYR   5           HA       TYR   5  62.556  -2.379   2.037
   35   1HB   TYR   5           HB2      TYR   5  59.738  -2.637   1.628
   36   2HB   TYR   5           HB1      TYR   5  61.020  -2.479   0.437
   37    HD1  TYR   5           HD1      TYR   5  59.177  -4.960   2.484
   38    HD2  TYR   5           HD2      TYR   5  61.706  -4.255  -0.908
   39    HE1  TYR   5           HE1      TYR   5  58.844  -7.315   1.750
   40    HE2  TYR   5           HE2      TYR   5  61.374  -6.604  -1.652
   41    HH   TYR   5           HH       TYR   5  59.593  -8.409  -1.311
   42    H    TYR   6           HN       TYR   6  59.762  -3.747   3.875
   43    HA   TYR   6           HA       TYR   6  59.036  -1.419   5.256
   44   1HB   TYR   6           HB2      TYR   6  59.244  -4.251   6.329
   45   2HB   TYR   6           HB1      TYR   6  58.145  -2.995   6.902
   46    HD1  TYR   6           HD1      TYR   6  56.603  -1.901   5.097
   47    HD2  TYR   6           HD2      TYR   6  58.518  -5.720   4.648
   48    HE1  TYR   6           HE1      TYR   6  54.944  -2.527   3.368
   49    HE2  TYR   6           HE2      TYR   6  56.858  -6.345   2.916
   50    HH   TYR   6           HH       TYR   6  54.227  -5.414   2.480
   51    H    GLU   7           HN       GLU   7  61.831  -3.448   5.575
   52    HA   GLU   7           HA       GLU   7  62.757  -2.123   8.058
   53   1HB   GLU   7           HB2      GLU   7  62.965  -4.636   7.352
   54   2HB   GLU   7           HB1      GLU   7  64.284  -4.071   6.326
   55   1HG   GLU   7           HG2      GLU   7  65.629  -3.525   8.118
   56   2HG   GLU   7           HG1      GLU   7  64.261  -3.168   9.171
   57    H    ILE   8           HN       ILE   8  63.268  -2.228   4.595
   58    HA   ILE   8           HA       ILE   8  65.695  -0.903   4.278
   59    HB   ILE   8           HB       ILE   8  63.103  -0.841   2.737
   60   1HG1  ILE   8          HG12      ILE   8  65.784  -2.256   2.468
   61   2HG1  ILE   8          HG11      ILE   8  64.205  -2.997   2.731
   62   1HG2  ILE   8          HG21      ILE   8  64.838   1.184   2.460
   63   2HG2  ILE   8          HG23      ILE   8  65.684  -0.007   1.476
   64   3HG2  ILE   8          HG22      ILE   8  64.034   0.460   1.073
   65   1HD1  ILE   8          HD13      ILE   8  63.630  -1.714   0.466
   66   2HD1  ILE   8          HD12      ILE   8  65.371  -1.856   0.226
   67   3HD1  ILE   8          HD11      ILE   8  64.390  -3.305   0.448
   68    H    LEU   9           HN       LEU   9  62.476   0.575   4.186
   69    HA   LEU   9           HA       LEU   9  63.648   3.260   4.760
   70   1HB   LEU   9           HB2      LEU   9  60.773   2.459   4.298
   71   2HB   LEU   9           HB1      LEU   9  61.508   4.039   4.028
   72    HG   LEU   9           HG       LEU   9  62.957   2.048   2.536
   73   1HD1  LEU   9          HD13      LEU   9  60.124   1.553   2.743
   74   2HD1  LEU   9          HD12      LEU   9  60.519   2.044   1.096
   75   3HD1  LEU   9          HD11      LEU   9  61.337   0.660   1.823
   76   1HD2  LEU   9          HD21      LEU   9  61.332   4.519   1.978
   77   2HD2  LEU   9          HD23      LEU   9  63.062   4.256   1.769
   78   3HD2  LEU   9          HD22      LEU   9  61.920   3.534   0.638
   79    H    GLY  10           HN       GLY  10  63.635   1.208   6.944
   80   1HA   GLY  10           HA2      GLY  10  62.869   0.967   9.175
   81   2HA   GLY  10           HA1      GLY  10  62.847   2.737   9.153
   82    H    VAL  11           HN       VAL  11  60.957   0.835   6.965
   83    HA   VAL  11           HA       VAL  11  58.461   2.085   7.901
   84    HB   VAL  11           HB       VAL  11  59.496   0.484   5.585
   85   1HG1  VAL  11          HG11      VAL  11  57.152  -0.381   6.322
   86   2HG1  VAL  11          HG13      VAL  11  56.577   1.173   5.729
   87   3HG1  VAL  11          HG12      VAL  11  57.399   0.063   4.641
   88   1HG2  VAL  11          HG22      VAL  11  59.500   3.055   5.918
   89   2HG2  VAL  11          HG21      VAL  11  58.998   2.395   4.363
   90   3HG2  VAL  11          HG23      VAL  11  57.787   2.932   5.521
   91    H    SER  12           HN       SER  12  57.324   1.031   9.552
   92    HA   SER  12           HA       SER  12  57.640  -1.608  10.449
   93   1HB   SER  12           HB2      SER  12  56.197   0.103  11.511
   94   2HB   SER  12           HB1      SER  12  55.110   0.047  10.126
   95    HG   SER  12           HG       SER  12  55.723  -2.349  11.426
   96    H    LYS  13           HN       LYS  13  56.743  -3.650   9.653
   97    HA   LYS  13           HA       LYS  13  56.670  -4.106   6.955
   98   1HB   LYS  13           HB2      LYS  13  55.082  -5.994   7.514
   99   2HB   LYS  13           HB1      LYS  13  56.563  -5.912   8.466
  100   1HG   LYS  13           HG2      LYS  13  55.434  -5.503  10.391
  101   2HG   LYS  13           HG1      LYS  13  54.383  -4.319   9.613
  102   1HD   LYS  13           HD2      LYS  13  52.858  -6.001  10.143
  103   2HD   LYS  13           HD1      LYS  13  53.302  -6.443   8.495
  104   1HE   LYS  13           HE2      LYS  13  55.255  -7.657  10.123
  105   2HE   LYS  13           HE1      LYS  13  53.704  -7.954  10.935
  106   1HZ   LYS  13           HZ1      LYS  13  52.795  -8.541   8.705
  107   2HZ   LYS  13           HZ3      LYS  13  54.377  -8.490   8.093
  108   3HZ   LYS  13           HZ2      LYS  13  53.965  -9.629   9.285
  109    H    THR  14           HN       THR  14  54.224  -2.491   8.793
  110    HA   THR  14           HA       THR  14  52.651  -2.126   6.276
  111    HB   THR  14           HB       THR  14  50.660  -2.348   7.575
  112    HG1  THR  14           HG1      THR  14  50.609  -2.014   9.684
  113   1HG2  THR  14          HG23      THR  14  52.340  -4.415   7.303
  114   2HG2  THR  14          HG22      THR  14  52.309  -4.340   9.064
  115   3HG2  THR  14          HG21      THR  14  50.809  -4.572   8.165
  116    H    ALA  15           HN       ALA  15  54.877  -0.474   7.502
  117    HA   ALA  15           HA       ALA  15  53.931   1.775   8.921
  118   1HB   ALA  15           HB3      ALA  15  56.250   0.815   7.667
  119   2HB   ALA  15           HB2      ALA  15  55.969   2.402   6.968
  120   3HB   ALA  15           HB1      ALA  15  56.129   2.224   8.715
  121    H    GLU  16           HN       GLU  16  54.862   3.783   6.952
  122    HA   GLU  16           HA       GLU  16  52.603   3.823   5.011
  123   1HB   GLU  16           HB2      GLU  16  52.864   5.267   7.457
  124   2HB   GLU  16           HB1      GLU  16  53.050   6.428   6.141
  125   1HG   GLU  16           HG2      GLU  16  50.876   4.444   5.796
  126   2HG   GLU  16           HG1      GLU  16  50.637   5.618   7.091
  127    H    GLU  17           HN       GLU  17  53.268   6.610   4.347
  128    HA   GLU  17           HA       GLU  17  55.553   6.106   2.557
  129   1HB   GLU  17           HB2      GLU  17  53.669   7.145   1.567
  130   2HB   GLU  17           HB1      GLU  17  53.441   8.230   2.938
  131   1HG   GLU  17           HG2      GLU  17  56.073   8.491   1.674
  132   2HG   GLU  17           HG1      GLU  17  54.736   8.890   0.596
  133    H    ARG  18           HN       ARG  18  54.736   8.196   5.311
  134    HA   ARG  18           HA       ARG  18  56.781  10.049   5.354
  135   1HB   ARG  18           HB2      ARG  18  56.724   9.471   7.942
  136   2HB   ARG  18           HB1      ARG  18  55.302  10.144   7.151
  137   1HG   ARG  18           HG2      ARG  18  54.107   8.222   7.389
  138   2HG   ARG  18           HG1      ARG  18  55.492   7.197   7.015
  139   1HD   ARG  18           HD2      ARG  18  56.279   7.240   9.247
  140   2HD   ARG  18           HD1      ARG  18  55.330   8.686   9.644
  141    HE   ARG  18           HE       ARG  18  53.832   6.258   8.828
  142   1HH1  ARG  18          HH11      ARG  18  53.173   8.955  10.410
  143   2HH1  ARG  18          HH12      ARG  18  52.737   8.259  11.934
  144   1HH2  ARG  18          HH21      ARG  18  54.005   5.124  11.166
  145   2HH2  ARG  18          HH22      ARG  18  53.207   6.092  12.362
  146    H    GLU  19           HN       GLU  19  57.290   7.162   7.372
  147    HA   GLU  19           HA       GLU  19  60.041   7.234   7.547
  148   1HB   GLU  19           HB2      GLU  19  59.697   4.654   7.672
  149   2HB   GLU  19           HB1      GLU  19  58.863   5.654   8.849
  150   1HG   GLU  19           HG2      GLU  19  57.305   5.344   6.407
  151   2HG   GLU  19           HG1      GLU  19  57.690   3.786   7.137
  152    H    ILE  20           HN       ILE  20  58.022   6.264   4.856
  153    HA   ILE  20           HA       ILE  20  60.064   4.952   3.293
  154    HB   ILE  20           HB       ILE  20  57.281   5.708   3.146
  155   1HG1  ILE  20          HG12      ILE  20  57.708   4.001   1.071
  156   2HG1  ILE  20          HG11      ILE  20  59.140   3.698   2.056
  157   1HG2  ILE  20          HG22      ILE  20  58.983   6.503   0.783
  158   2HG2  ILE  20          HG21      ILE  20  57.305   6.001   0.572
  159   3HG2  ILE  20          HG23      ILE  20  57.686   7.414   1.557
  160   1HD1  ILE  20          HD11      ILE  20  57.309   3.747   4.001
  161   2HD1  ILE  20          HD13      ILE  20  56.276   3.204   2.682
  162   3HD1  ILE  20          HD12      ILE  20  57.707   2.273   3.127
  163    H    ARG  21           HN       ARG  21  58.846   8.272   3.568
  164    HA   ARG  21           HA       ARG  21  60.827   9.229   1.573
  165   1HB   ARG  21           HB2      ARG  21  59.566  11.207   1.605
  166   2HB   ARG  21           HB1      ARG  21  58.347  10.007   2.018
  167   1HG   ARG  21           HG2      ARG  21  58.016  11.697   3.629
  168   2HG   ARG  21           HG1      ARG  21  58.995  10.512   4.484
  169   1HD   ARG  21           HD2      ARG  21  60.527  12.127   4.886
  170   2HD   ARG  21           HD1      ARG  21  60.805  12.254   3.137
  171    HE   ARG  21           HE       ARG  21  58.367  13.598   3.737
  172   1HH1  ARG  21          HH11      ARG  21  60.484  14.897   2.143
  173   2HH1  ARG  21          HH12      ARG  21  61.052  16.149   3.197
  174   1HH2  ARG  21          HH21      ARG  21  59.637  14.759   6.042
  175   2HH2  ARG  21          HH22      ARG  21  60.571  16.071   5.405
  176    H    LYS  22           HN       LYS  22  60.512   8.854   4.974
  177    HA   LYS  22           HA       LYS  22  62.586  10.818   5.649
  178   1HB   LYS  22           HB2      LYS  22  60.769  10.655   7.157
  179   2HB   LYS  22           HB1      LYS  22  60.779   8.892   7.106
  180   1HG   LYS  22           HG2      LYS  22  61.766   9.928   9.214
  181   2HG   LYS  22           HG1      LYS  22  62.806   8.775   8.378
  182   1HD   LYS  22           HD2      LYS  22  64.241  10.591   8.803
  183   2HD   LYS  22           HD1      LYS  22  63.749  10.851   7.132
  184   1HE   LYS  22           HE2      LYS  22  62.834  12.848   7.690
  185   2HE   LYS  22           HE1      LYS  22  61.811  12.061   8.906
  186   1HZ   LYS  22           HZ1      LYS  22  63.744  11.994  10.393
  187   2HZ   LYS  22           HZ3      LYS  22  64.655  12.852   9.249
  188   3HZ   LYS  22           HZ2      LYS  22  63.314  13.588   9.989
  189    H    ALA  23           HN       ALA  23  62.161   7.287   5.834
  190    HA   ALA  23           HA       ALA  23  64.744   6.701   6.914
  191   1HB   ALA  23           HB2      ALA  23  62.758   5.261   7.032
  192   2HB   ALA  23           HB1      ALA  23  62.815   5.032   5.284
  193   3HB   ALA  23           HB3      ALA  23  64.110   4.398   6.299
  194    H    TYR  24           HN       TYR  24  63.729   7.209   3.550
  195    HA   TYR  24           HA       TYR  24  66.204   5.966   2.536
  196   1HB   TYR  24           HB2      TYR  24  64.025   5.768   1.363
  197   2HB   TYR  24           HB1      TYR  24  63.949   7.517   1.204
  198    HD1  TYR  24           HD1      TYR  24  67.186   5.811   0.973
  199    HD2  TYR  24           HD2      TYR  24  63.860   7.365  -1.262
  200    HE1  TYR  24           HE1      TYR  24  68.533   5.705  -1.106
  201    HE2  TYR  24           HE2      TYR  24  65.209   7.257  -3.339
  202    HH   TYR  24           HH       TYR  24  67.124   6.589  -4.255
  203    H    LYS  25           HN       LYS  25  64.639   9.132   2.630
  204    HA   LYS  25           HA       LYS  25  66.837  10.634   1.594
  205   1HB   LYS  25           HB2      LYS  25  65.010  11.947   1.502
  206   2HB   LYS  25           HB1      LYS  25  64.171  10.906   2.632
  207   1HG   LYS  25           HG2      LYS  25  66.207  12.744   3.788
  208   2HG   LYS  25           HG1      LYS  25  64.720  13.472   3.188
  209   1HD   LYS  25           HD2      LYS  25  63.358  12.080   4.584
  210   2HD   LYS  25           HD1      LYS  25  64.736  11.082   5.046
  211   1HE   LYS  25           HE2      LYS  25  64.119  13.930   5.878
  212   2HE   LYS  25           HE1      LYS  25  64.494  12.536   6.906
  213   1HZ   LYS  25           HZ3      LYS  25  66.690  12.474   5.662
  214   2HZ   LYS  25           HZ2      LYS  25  66.315  14.042   5.126
  215   3HZ   LYS  25           HZ1      LYS  25  66.490  13.728   6.788
  216    H    ARG  26           HN       ARG  26  66.405   9.079   4.604
  217    HA   ARG  26           HA       ARG  26  68.009  10.940   6.204
  218   1HB   ARG  26           HB2      ARG  26  66.702   8.265   6.479
  219   2HB   ARG  26           HB1      ARG  26  67.989   8.665   7.617
  220   1HG   ARG  26           HG2      ARG  26  66.061  10.844   7.167
  221   2HG   ARG  26           HG1      ARG  26  65.367   9.406   7.919
  222   1HD   ARG  26           HD2      ARG  26  66.251  10.986   9.632
  223   2HD   ARG  26           HD1      ARG  26  67.151   9.457   9.650
  224    HE   ARG  26           HE       ARG  26  68.160  11.716   7.984
  225   1HH1  ARG  26          HH21      ARG  26  69.633   9.096   8.418
  226   2HH1  ARG  26          HH22      ARG  26  70.804   9.555   9.609
  227   1HH2  ARG  26          HH11      ARG  26  69.166  12.493  10.464
  228   2HH2  ARG  26          HH12      ARG  26  70.538  11.481  10.771
  229    H    LEU  27           HN       LEU  27  68.492   7.642   4.925
  230    HA   LEU  27           HA       LEU  27  71.379   7.672   5.405
  231   1HB   LEU  27           HB2      LEU  27  71.224   5.429   4.578
  232   2HB   LEU  27           HB1      LEU  27  69.714   5.708   5.445
  233    HG   LEU  27           HG       LEU  27  69.005   6.578   2.984
  234   1HD1  LEU  27          HD13      LEU  27  71.355   5.808   2.228
  235   2HD1  LEU  27          HD12      LEU  27  70.726   4.171   2.406
  236   3HD1  LEU  27          HD11      LEU  27  69.977   5.282   1.260
  237   1HD2  LEU  27          HD21      LEU  27  68.138   4.684   4.632
  238   2HD2  LEU  27          HD23      LEU  27  67.637   4.700   2.940
  239   3HD2  LEU  27          HD22      LEU  27  68.930   3.621   3.468
  240    H    ALA  28           HN       ALA  28  69.162   8.387   2.834
  241    HA   ALA  28           HA       ALA  28  71.078   8.297   0.654
  242   1HB   ALA  28           HB1      ALA  28  68.624   7.923   0.507
  243   2HB   ALA  28           HB3      ALA  28  68.353   9.598   0.982
  244   3HB   ALA  28           HB2      ALA  28  69.140   9.233  -0.555
  245    H    MET  29           HN       MET  29  69.730  10.852   2.750
  246    HA   MET  29           HA       MET  29  71.036  13.029   1.346
  247   1HB   MET  29           HB2      MET  29  70.388  14.300   3.311
  248   2HB   MET  29           HB1      MET  29  69.093  13.150   2.987
  249   1HG   MET  29           HG2      MET  29  69.335  12.497   5.139
  250   2HG   MET  29           HG1      MET  29  70.826  11.718   4.615
  251   1HE   MET  29           HE3      MET  29  69.356  13.163   7.012
  252   2HE   MET  29           HE2      MET  29  70.859  12.910   7.897
  253   3HE   MET  29           HE1      MET  29  70.205  14.539   7.730
  254    H    LYS  30           HN       LYS  30  71.980  10.613   3.653
  255    HA   LYS  30           HA       LYS  30  74.506  11.963   4.386
  256   1HB   LYS  30           HB2      LYS  30  73.154   9.332   5.044
  257   2HB   LYS  30           HB1      LYS  30  74.759   9.745   5.647
  258   1HG   LYS  30           HG2      LYS  30  73.951  11.526   6.949
  259   2HG   LYS  30           HG1      LYS  30  72.460  11.647   6.019
  260   1HD   LYS  30           HD2      LYS  30  71.467  10.360   7.576
  261   2HD   LYS  30           HD1      LYS  30  72.485   9.026   7.031
  262   1HE   LYS  30           HE2      LYS  30  72.730   9.416   9.480
  263   2HE   LYS  30           HE1      LYS  30  74.254   9.735   8.628
  264   1HZ   LYS  30           HZ2      LYS  30  72.589  12.030   8.574
  265   2HZ   LYS  30           HZ1      LYS  30  72.810  11.522  10.179
  266   3HZ   LYS  30           HZ3      LYS  30  74.156  11.866   9.208
  267    H    TYR  31           HN       TYR  31  73.332   9.811   1.949
  268    HA   TYR  31           HA       TYR  31  76.104   8.873   1.363
  269   1HB   TYR  31           HB2      TYR  31  73.359   7.787   1.085
  270   2HB   TYR  31           HB1      TYR  31  74.493   7.363  -0.204
  271    HD1  TYR  31           HD1      TYR  31  77.048   7.210   1.110
  272    HD2  TYR  31           HD2      TYR  31  73.202   5.949   2.530
  273    HE1  TYR  31           HE1      TYR  31  78.145   5.577   2.610
  274    HE2  TYR  31           HE2      TYR  31  74.291   4.311   4.031
  275    HH   TYR  31           HH       TYR  31  76.374   3.858   5.059
  276    H    HIS  32           HN       HIS  32  74.004  11.197   0.446
  277    HA   HIS  32           HA       HIS  32  73.966  11.305  -2.368
  278   1HB   HIS  32           HB2      HIS  32  73.465  13.650  -1.839
  279   2HB   HIS  32           HB1      HIS  32  72.755  12.605  -0.628
  280    HD1  HIS  32           HD1      HIS  32  76.058  12.232   0.277
  281    HD2  HIS  32           HD2      HIS  32  73.441  15.451   0.619
  282    HE1  HIS  32           HE1      HIS  32  77.015  13.746   2.067
  283    HA   PRO  33           HA       PRO  33  77.881  12.754  -3.728
  284   1HB   PRO  33           HB2      PRO  33  78.291  15.465  -3.667
  285   2HB   PRO  33           HB1      PRO  33  77.303  14.640  -4.889
  286   1HG   PRO  33           HG2      PRO  33  76.455  16.105  -2.451
  287   2HG   PRO  33           HG1      PRO  33  75.716  16.061  -4.058
  288   1HD   PRO  33           HD2      PRO  33  74.786  14.704  -1.947
  289   2HD   PRO  33           HD1      PRO  33  74.571  14.144  -3.617
  290    H    ASP  34           HN       ASP  34  78.035  11.831  -1.291
  291    HA   ASP  34           HA       ASP  34  80.037  13.531   0.172
  292   1HB   ASP  34           HB2      ASP  34  78.748  13.073   2.001
  293   2HB   ASP  34           HB1      ASP  34  77.653  12.142   0.995
  294    H    ARG  35           HN       ARG  35  79.137  10.349  -1.023
  295    HA   ARG  35           HA       ARG  35  82.015   9.558  -1.065
  296   1HB   ARG  35           HB2      ARG  35  81.243   7.308  -0.300
  297   2HB   ARG  35           HB1      ARG  35  80.891   8.563   0.890
  298   1HG   ARG  35           HG2      ARG  35  78.863   7.366   0.740
  299   2HG   ARG  35           HG1      ARG  35  78.594   8.753  -0.312
  300   1HD   ARG  35           HD2      ARG  35  78.222   7.364  -2.031
  301   2HD   ARG  35           HD1      ARG  35  79.856   6.702  -1.852
  302    HE   ARG  35           HE       ARG  35  77.425   5.635  -0.490
  303   1HH1  ARG  35          HH11      ARG  35  79.417   4.979   1.377
  304   2HH1  ARG  35          HH12      ARG  35  80.219   3.583   0.742
  305   1HH2  ARG  35          HH21      ARG  35  79.046   4.049  -2.488
  306   2HH2  ARG  35          HH22      ARG  35  80.009   3.055  -1.447
  307    H    ASN  36           HN       ASN  36  78.758   9.419  -2.424
  308    HA   ASN  36           HA       ASN  36  78.805   7.477  -4.366
  309   1HB   ASN  36           HB2      ASN  36  78.055  10.410  -4.609
  310   2HB   ASN  36           HB1      ASN  36  77.527   9.150  -5.713
  311   1HD2  ASN  36          HD22      ASN  36  75.788   7.604  -2.697
  312   2HD2  ASN  36          HD21      ASN  36  77.179   7.129  -3.541
  313    H    GLN  37           HN       GLN  37  80.777  10.375  -4.241
  314    HA   GLN  37           HA       GLN  37  81.704  10.200  -7.002
  315   1HB   GLN  37           HB2      GLN  37  83.069  11.697  -4.773
  316   2HB   GLN  37           HB1      GLN  37  82.849  12.182  -6.451
  317   1HG   GLN  37           HG2      GLN  37  80.239  11.868  -5.435
  318   2HG   GLN  37           HG1      GLN  37  81.136  12.699  -4.163
  319   1HE2  GLN  37          HE22      GLN  37  81.704  15.640  -6.134
  320   2HE2  GLN  37          HE21      GLN  37  82.301  14.739  -4.825
  321    H    GLY  38           HN       GLY  38  82.252   8.153  -4.549
  322   1HA   GLY  38           HA2      GLY  38  84.930   7.427  -5.590
  323   2HA   GLY  38           HA1      GLY  38  84.771   7.675  -3.850
  324    H    ASP  39           HN       ASP  39  81.984   6.444  -5.450
  325    HA   ASP  39           HA       ASP  39  82.510   3.645  -5.470
  326   1HB   ASP  39           HB2      ASP  39  82.354   4.905  -2.873
  327   2HB   ASP  39           HB1      ASP  39  81.057   3.722  -3.047
  328    H    LYS  40           HN       LYS  40  80.950   3.591  -7.128
  329    HA   LYS  40           HA       LYS  40  78.245   4.636  -6.632
  330   1HB   LYS  40           HB2      LYS  40  79.956   4.057  -8.871
  331   2HB   LYS  40           HB1      LYS  40  78.450   3.161  -9.064
  332   1HG   LYS  40           HG2      LYS  40  77.184   5.061  -9.283
  333   2HG   LYS  40           HG1      LYS  40  78.200   5.988  -8.177
  334   1HD   LYS  40           HD2      LYS  40  79.472   6.790  -9.864
  335   2HD   LYS  40           HD1      LYS  40  79.629   5.195 -10.602
  336   1HE   LYS  40           HE2      LYS  40  76.912   6.124 -10.918
  337   2HE   LYS  40           HE1      LYS  40  78.043   7.344 -11.538
  338   1HZ   LYS  40           HZ1      LYS  40  79.256   5.243 -12.456
  339   2HZ   LYS  40           HZ3      LYS  40  77.718   4.536 -12.343
  340   3HZ   LYS  40           HZ2      LYS  40  77.950   5.913 -13.311
  341    H    GLU  41           HN       GLU  41  80.001   1.726  -6.446
  342    HA   GLU  41           HA       GLU  41  78.244  -0.376  -6.834
  343   1HB   GLU  41           HB2      GLU  41  79.461  -1.298  -4.773
  344   2HB   GLU  41           HB1      GLU  41  80.512  -0.649  -6.038
  345   1HG   GLU  41           HG2      GLU  41  80.826   1.411  -4.864
  346   2HG   GLU  41           HG1      GLU  41  79.515   1.051  -3.743
  347    H    ALA  42           HN       ALA  42  78.157   2.137  -4.381
  348    HA   ALA  42           HA       ALA  42  76.082   0.782  -2.764
  349   1HB   ALA  42           HB2      ALA  42  77.968   2.224  -1.882
  350   2HB   ALA  42           HB1      ALA  42  77.167   3.610  -2.621
  351   3HB   ALA  42           HB3      ALA  42  76.367   2.715  -1.330
  352    H    GLU  43           HN       GLU  43  76.234   2.858  -5.477
  353    HA   GLU  43           HA       GLU  43  74.058   4.580  -5.355
  354   1HB   GLU  43           HB2      GLU  43  75.551   4.141  -7.317
  355   2HB   GLU  43           HB1      GLU  43  74.666   2.641  -7.601
  356   1HG   GLU  43           HG2      GLU  43  73.115   3.775  -8.750
  357   2HG   GLU  43           HG1      GLU  43  72.739   4.708  -7.301
  358    H    ALA  44           HN       ALA  44  73.825   1.285  -6.630
  359    HA   ALA  44           HA       ALA  44  71.148   1.060  -6.964
  360   1HB   ALA  44           HB3      ALA  44  73.144  -0.933  -5.867
  361   2HB   ALA  44           HB2      ALA  44  71.526  -1.399  -6.389
  362   3HB   ALA  44           HB1      ALA  44  72.665  -0.716  -7.550
  363    H    LYS  45           HN       LYS  45  72.833   0.420  -3.874
  364    HA   LYS  45           HA       LYS  45  70.679  -0.304  -2.263
  365   1HB   LYS  45           HB2      LYS  45  72.933  -0.183  -1.406
  366   2HB   LYS  45           HB1      LYS  45  73.020   1.553  -1.734
  367   1HG   LYS  45           HG2      LYS  45  71.542   2.085   0.017
  368   2HG   LYS  45           HG1      LYS  45  70.881   0.451   0.079
  369   1HD   LYS  45           HD2      LYS  45  72.330   0.742   1.997
  370   2HD   LYS  45           HD1      LYS  45  73.131  -0.353   0.869
  371   1HE   LYS  45           HE2      LYS  45  73.801   2.399   0.236
  372   2HE   LYS  45           HE1      LYS  45  74.205   2.024   1.924
  373   1HZ   LYS  45           HZ2      LYS  45  74.997  -0.211   0.850
  374   2HZ   LYS  45           HZ1      LYS  45  75.164   0.751  -0.540
  375   3HZ   LYS  45           HZ3      LYS  45  76.020   1.145   0.870
  376    H    PHE  46           HN       PHE  46  71.372   2.795  -3.737
  377    HA   PHE  46           HA       PHE  46  69.606   4.415  -2.125
  378   1HB   PHE  46           HB2      PHE  46  70.538   4.721  -4.997
  379   2HB   PHE  46           HB1      PHE  46  69.913   6.011  -3.971
  380    HD1  PHE  46           HD1      PHE  46  71.512   4.147  -1.635
  381    HD2  PHE  46           HD2      PHE  46  72.481   6.521  -5.082
  382    HE1  PHE  46           HE1      PHE  46  73.784   4.535  -0.727
  383    HE2  PHE  46           HE2      PHE  46  74.751   6.908  -4.173
  384    HZ   PHE  46           HZ       PHE  46  75.405   5.916  -1.994
  385    H    LYS  47           HN       LYS  47  69.152   2.863  -5.356
  386    HA   LYS  47           HA       LYS  47  66.277   3.545  -5.234
  387   1HB   LYS  47           HB2      LYS  47  66.351   3.156  -7.504
  388   2HB   LYS  47           HB1      LYS  47  68.086   3.320  -7.258
  389   1HG   LYS  47           HG2      LYS  47  66.639   0.661  -7.102
  390   2HG   LYS  47           HG1      LYS  47  67.379   1.276  -8.579
  391   1HD   LYS  47           HD2      LYS  47  69.396   1.626  -6.738
  392   2HD   LYS  47           HD1      LYS  47  68.652   0.122  -6.196
  393   1HE   LYS  47           HE2      LYS  47  69.596   0.683  -9.031
  394   2HE   LYS  47           HE1      LYS  47  70.399  -0.383  -7.861
  395   1HZ   LYS  47           HZ3      LYS  47  68.284  -1.613  -7.663
  396   2HZ   LYS  47           HZ2      LYS  47  67.635  -0.666  -8.917
  397   3HZ   LYS  47           HZ1      LYS  47  68.947  -1.702  -9.222
  398    H    GLU  48           HN       GLU  48  68.389   0.884  -4.522
  399    HA   GLU  48           HA       GLU  48  66.625  -1.347  -4.592
  400   1HB   GLU  48           HB2      GLU  48  68.951  -0.429  -2.902
  401   2HB   GLU  48           HB1      GLU  48  68.107  -1.914  -2.474
  402   1HG   GLU  48           HG2      GLU  48  69.092  -1.436  -5.280
  403   2HG   GLU  48           HG1      GLU  48  70.156  -2.099  -4.040
  404    H    ILE  49           HN       ILE  49  67.123   1.300  -2.427
  405    HA   ILE  49           HA       ILE  49  65.230   0.452  -0.365
  406    HB   ILE  49           HB       ILE  49  66.799   2.930  -1.067
  407   1HG1  ILE  49          HG12      ILE  49  67.000   1.334   1.457
  408   2HG1  ILE  49          HG11      ILE  49  67.731   0.710  -0.022
  409   1HG2  ILE  49          HG22      ILE  49  64.437   2.777   0.543
  410   2HG2  ILE  49          HG21      ILE  49  65.820   3.108   1.587
  411   3HG2  ILE  49          HG23      ILE  49  65.466   4.176   0.228
  412   1HD1  ILE  49          HD13      ILE  49  68.538   3.364   0.004
  413   2HD1  ILE  49          HD12      ILE  49  68.620   2.907   1.704
  414   3HD1  ILE  49          HD11      ILE  49  69.526   1.991   0.500
  415    H    LYS  50           HN       LYS  50  65.397   3.064  -2.753
  416    HA   LYS  50           HA       LYS  50  62.818   4.169  -2.430
  417   1HB   LYS  50           HB2      LYS  50  64.667   5.081  -3.815
  418   2HB   LYS  50           HB1      LYS  50  64.440   3.769  -4.971
  419   1HG   LYS  50           HG2      LYS  50  62.816   4.938  -5.996
  420   2HG   LYS  50           HG1      LYS  50  61.896   4.988  -4.492
  421   1HD   LYS  50           HD2      LYS  50  62.261   7.268  -5.086
  422   2HD   LYS  50           HD1      LYS  50  63.415   6.927  -3.796
  423   1HE   LYS  50           HE2      LYS  50  65.242   6.804  -5.303
  424   2HE   LYS  50           HE1      LYS  50  64.176   6.611  -6.708
  425   1HZ   LYS  50           HZ3      LYS  50  64.156   9.001  -4.947
  426   2HZ   LYS  50           HZ2      LYS  50  65.041   8.917  -6.395
  427   3HZ   LYS  50           HZ1      LYS  50  63.346   8.806  -6.425
  428    H    GLU  51           HN       GLU  51  63.848   1.524  -4.621
  429    HA   GLU  51           HA       GLU  51  61.435   0.920  -5.899
  430   1HB   GLU  51           HB2      GLU  51  63.523  -0.196  -6.405
  431   2HB   GLU  51           HB1      GLU  51  63.625  -0.851  -4.770
  432   1HG   GLU  51           HG2      GLU  51  62.786  -2.672  -5.987
  433   2HG   GLU  51           HG1      GLU  51  61.320  -1.944  -5.330
  434    H    ALA  52           HN       ALA  52  62.424   0.237  -2.584
  435    HA   ALA  52           HA       ALA  52  60.644  -1.664  -1.658
  436   1HB   ALA  52           HB3      ALA  52  62.382  -0.250  -0.448
  437   2HB   ALA  52           HB2      ALA  52  61.145   1.000  -0.316
  438   3HB   ALA  52           HB1      ALA  52  60.904  -0.567   0.457
  439    H    TYR  53           HN       TYR  53  59.855   1.541  -2.853
  440    HA   TYR  53           HA       TYR  53  57.256   1.823  -1.699
  441   1HB   TYR  53           HB2      TYR  53  58.343   2.760  -4.374
  442   2HB   TYR  53           HB1      TYR  53  56.956   3.447  -3.534
  443    HD1  TYR  53           HD1      TYR  53  58.314   3.025  -0.722
  444    HD2  TYR  53           HD2      TYR  53  59.527   4.901  -4.385
  445    HE1  TYR  53           HE1      TYR  53  59.814   4.532   0.544
  446    HE2  TYR  53           HE2      TYR  53  61.024   6.409  -3.122
  447    HH   TYR  53           HH       TYR  53  60.872   7.214  -0.301
  448    H    GLU  54           HN       GLU  54  58.241   0.618  -4.909
  449    HA   GLU  54           HA       GLU  54  55.781  -0.064  -6.031
  450   1HB   GLU  54           HB2      GLU  54  58.121  -1.980  -6.059
  451   2HB   GLU  54           HB1      GLU  54  57.009  -1.595  -7.373
  452   1HG   GLU  54           HG2      GLU  54  58.104   0.859  -6.776
  453   2HG   GLU  54           HG1      GLU  54  59.466  -0.236  -6.542
  454    H    VAL  55           HN       VAL  55  57.490  -1.489  -3.380
  455    HA   VAL  55           HA       VAL  55  55.708  -3.803  -3.255
  456    HB   VAL  55           HB       VAL  55  58.349  -3.081  -2.519
  457   1HG1  VAL  55          HG11      VAL  55  56.579  -3.756  -0.169
  458   2HG1  VAL  55          HG13      VAL  55  58.320  -4.026  -0.160
  459   3HG1  VAL  55          HG12      VAL  55  57.684  -2.392  -0.338
  460   1HG2  VAL  55          HG23      VAL  55  56.627  -5.510  -2.508
  461   2HG2  VAL  55          HG22      VAL  55  58.145  -5.209  -3.356
  462   3HG2  VAL  55          HG21      VAL  55  58.156  -5.592  -1.633
  463    H    LEU  56           HN       LEU  56  56.600  -1.076  -1.070
  464    HA   LEU  56           HA       LEU  56  54.238  -1.713   0.580
  465   1HB   LEU  56           HB2      LEU  56  55.666  -1.069   2.168
  466   2HB   LEU  56           HB1      LEU  56  56.850  -0.691   0.929
  467    HG   LEU  56           HG       LEU  56  56.501   1.219   2.374
  468   1HD1  LEU  56          HD11      LEU  56  56.114   1.203  -0.450
  469   2HD1  LEU  56          HD13      LEU  56  55.135   2.492   0.244
  470   3HD1  LEU  56          HD12      LEU  56  56.872   2.446   0.541
  471   1HD2  LEU  56          HD21      LEU  56  53.781   0.396   2.268
  472   2HD2  LEU  56          HD23      LEU  56  54.485   1.691   3.237
  473   3HD2  LEU  56          HD22      LEU  56  53.866   2.035   1.621
  474    H    THR  57           HN       THR  57  54.988   0.673  -1.907
  475    HA   THR  57           HA       THR  57  52.869   2.498  -0.941
  476    HB   THR  57           HB       THR  57  53.454   3.728  -3.069
  477    HG1  THR  57           HG1      THR  57  55.304   2.948  -4.164
  478   1HG2  THR  57          HG22      THR  57  54.670   3.954  -0.792
  479   2HG2  THR  57          HG21      THR  57  55.975   3.066  -1.568
  480   3HG2  THR  57          HG23      THR  57  55.459   4.615  -2.222
  481    H    ASP  58           HN       ASP  58  52.058  -0.232  -1.614
  482    HA   ASP  58           HA       ASP  58  49.902   0.445  -3.511
  483   1HB   ASP  58           HB2      ASP  58  52.261  -0.861  -4.318
  484   2HB   ASP  58           HB1      ASP  58  51.053  -2.137  -4.164
  485    H    SER  59           HN       SER  59  48.144  -0.130  -2.497
  486    HA   SER  59           HA       SER  59  47.827  -1.467  -0.180
  487   1HB   SER  59           HB2      SER  59  46.223  -0.771  -2.458
  488   2HB   SER  59           HB1      SER  59  45.674  -2.316  -1.813
  489    HG   SER  59           HG       SER  59  44.674  -0.556  -0.760
  490    H    GLN  60           HN       GLN  60  48.004  -3.079  -3.356
  491    HA   GLN  60           HA       GLN  60  47.640  -5.752  -2.261
  492   1HB   GLN  60           HB2      GLN  60  47.060  -5.023  -4.565
  493   2HB   GLN  60           HB1      GLN  60  48.771  -4.764  -4.899
  494   1HG   GLN  60           HG2      GLN  60  49.252  -7.027  -4.941
  495   2HG   GLN  60           HG1      GLN  60  47.925  -7.436  -3.852
  496   1HE2  GLN  60          HE22      GLN  60  47.187  -7.065  -7.872
  497   2HE2  GLN  60          HE21      GLN  60  48.625  -6.441  -7.222
  498    H    LYS  61           HN       LYS  61  50.428  -3.740  -3.120
  499    HA   LYS  61           HA       LYS  61  52.396  -5.862  -2.758
  500   1HB   LYS  61           HB2      LYS  61  52.685  -2.855  -2.819
  501   2HB   LYS  61           HB1      LYS  61  53.945  -4.039  -3.141
  502   1HG   LYS  61           HG2      LYS  61  51.405  -3.831  -4.754
  503   2HG   LYS  61           HG1      LYS  61  52.917  -3.041  -5.203
  504   1HD   LYS  61           HD2      LYS  61  53.789  -5.583  -4.725
  505   2HD   LYS  61           HD1      LYS  61  52.168  -5.900  -5.345
  506   1HE   LYS  61           HE2      LYS  61  53.374  -3.858  -6.968
  507   2HE   LYS  61           HE1      LYS  61  54.483  -5.238  -6.857
  508   1HZ   LYS  61           HZ2      LYS  61  51.590  -5.663  -7.250
  509   2HZ   LYS  61           HZ1      LYS  61  52.593  -5.333  -8.582
  510   3HZ   LYS  61           HZ3      LYS  61  52.882  -6.703  -7.623
  511    H    ARG  62           HN       ARG  62  51.492  -2.992  -0.808
  512    HA   ARG  62           HA       ARG  62  53.300  -3.682   1.331
  513   1HB   ARG  62           HB2      ARG  62  52.152  -1.865   2.476
  514   2HB   ARG  62           HB1      ARG  62  52.326  -1.425   0.778
  515   1HG   ARG  62           HG2      ARG  62  50.066  -1.824   0.304
  516   2HG   ARG  62           HG1      ARG  62  49.850  -2.857   1.714
  517   1HD   ARG  62           HD2      ARG  62  50.687  -0.312   2.681
  518   2HD   ARG  62           HD1      ARG  62  49.377  -0.035   1.516
  519    HE   ARG  62           HE       ARG  62  47.924  -1.398   2.866
  520   1HH1  ARG  62          HH21      ARG  62  48.789  -3.622   4.007
  521   2HH1  ARG  62          HH22      ARG  62  49.457  -3.247   5.559
  522   1HH2  ARG  62          HH11      ARG  62  49.809   0.135   4.887
  523   2HH2  ARG  62          HH12      ARG  62  50.036  -1.121   6.058
  524    H    ALA  63           HN       ALA  63  50.092  -4.684   0.476
  525    HA   ALA  63           HA       ALA  63  49.508  -5.759   3.175
  526   1HB   ALA  63           HB3      ALA  63  47.822  -4.685   1.617
  527   2HB   ALA  63           HB2      ALA  63  48.028  -6.064   0.539
  528   3HB   ALA  63           HB1      ALA  63  47.367  -6.300   2.156
  529    H    ALA  64           HN       ALA  64  50.782  -6.731   0.111
  530    HA   ALA  64           HA       ALA  64  50.501  -9.626   0.662
  531   1HB   ALA  64           HB1      ALA  64  51.763  -8.008  -1.575
  532   2HB   ALA  64           HB3      ALA  64  51.535  -9.755  -1.602
  533   3HB   ALA  64           HB2      ALA  64  50.134  -8.684  -1.583
  534    H    TYR  65           HN       TYR  65  53.138  -7.297   0.065
  535    HA   TYR  65           HA       TYR  65  55.272  -9.108   0.691
  536   1HB   TYR  65           HB2      TYR  65  54.882  -6.134   0.464
  537   2HB   TYR  65           HB1      TYR  65  56.437  -6.778   1.001
  538    HD1  TYR  65           HD1      TYR  65  53.942  -6.848  -1.764
  539    HD2  TYR  65           HD2      TYR  65  57.929  -7.830  -0.523
  540    HE1  TYR  65           HE1      TYR  65  54.545  -7.365  -4.113
  541    HE2  TYR  65           HE2      TYR  65  58.538  -8.347  -2.871
  542    HH   TYR  65           HH       TYR  65  56.967  -7.351  -5.436
  543    H    ASP  66           HN       ASP  66  53.182  -7.123   2.702
  544    HA   ASP  66           HA       ASP  66  54.682  -6.816   5.053
  545   1HB   ASP  66           HB2      ASP  66  52.426  -6.969   6.159
  546   2HB   ASP  66           HB1      ASP  66  52.427  -5.934   4.731
  547    H    GLN  67           HN       GLN  67  53.158  -9.713   3.725
  548    HA   GLN  67           HA       GLN  67  54.285 -11.299   6.013
  549   1HB   GLN  67           HB2      GLN  67  51.943 -11.877   4.166
  550   2HB   GLN  67           HB1      GLN  67  52.433 -12.853   5.552
  551   1HG   GLN  67           HG2      GLN  67  51.939 -11.033   7.082
  552   2HG   GLN  67           HG1      GLN  67  51.607  -9.943   5.736
  553   1HE2  GLN  67          HE22      GLN  67  48.214 -10.850   5.836
  554   2HE2  GLN  67          HE21      GLN  67  49.374  -9.616   5.719
  555    H    TYR  68           HN       TYR  68  55.131 -10.424   3.047
  556    HA   TYR  68           HA       TYR  68  56.344 -11.416   1.278
  557   1HB   TYR  68           HB2      TYR  68  57.083 -12.590   3.870
  558   2HB   TYR  68           HB1      TYR  68  57.505 -13.615   2.494
  559    HD1  TYR  68           HD2      TYR  68  57.610  -9.990   3.485
  560    HD2  TYR  68           HD1      TYR  68  59.547 -13.236   1.446
  561    HE1  TYR  68           HE2      TYR  68  59.545  -8.522   2.984
  562    HE2  TYR  68           HE1      TYR  68  61.481 -11.768   0.944
  563    HH   TYR  68           HH       TYR  68  61.512  -8.353   1.978
  564    H    GLY  69           HN       GLY  69  53.557 -12.252   1.508
  565   1HA   GLY  69           HA2      GLY  69  52.489 -13.806  -0.048
  566   2HA   GLY  69           HA1      GLY  69  53.810 -14.939   0.242
  567    H    HIS  70           HN       HIS  70  51.287 -15.925   0.521
  568    HA   HIS  70           HA       HIS  70  50.306 -15.680   3.256
  569   1HB   HIS  70           HB2      HIS  70  48.658 -17.258   2.494
  570   2HB   HIS  70           HB1      HIS  70  49.005 -16.201   1.123
  571    HD1  HIS  70           HD1      HIS  70  48.507 -19.619   1.741
  572    HD2  HIS  70           HD2      HIS  70  51.419 -17.534  -0.392
  573    HE1  HIS  70           HE1      HIS  70  49.545 -21.279   0.134
  574    H    ALA  71           HN       ALA  71  53.066 -17.061   2.151
  575    HA   ALA  71           HA       ALA  71  52.958 -19.660   3.488
  576   1HB   ALA  71           HB1      ALA  71  54.348 -19.157   1.499
  577   2HB   ALA  71           HB3      ALA  71  55.254 -17.971   2.439
  578   3HB   ALA  71           HB2      ALA  71  55.349 -19.683   2.852
  579    H    ALA  72           HN       ALA  72  54.123 -16.406   4.265
  580    HA   ALA  72           HA       ALA  72  55.639 -17.030   6.602
  581   1HB   ALA  72           HB1      ALA  72  55.648 -14.877   5.387
  582   2HB   ALA  72           HB3      ALA  72  53.980 -14.591   5.881
  583   3HB   ALA  72           HB2      ALA  72  55.263 -14.628   7.091
  584    H    PHE  73           HN       PHE  73  52.193 -16.871   6.041
  585    HA   PHE  73           HA       PHE  73  51.722 -17.273   8.979
  586   1HB   PHE  73           HB2      PHE  73  50.386 -15.674   6.835
  587   2HB   PHE  73           HB1      PHE  73  49.357 -16.375   8.089
  588    HD1  PHE  73           HD2      PHE  73  52.136 -14.037   7.408
  589    HD2  PHE  73           HD1      PHE  73  49.507 -15.648  10.400
  590    HE1  PHE  73           HE2      PHE  73  52.821 -12.243   8.977
  591    HE2  PHE  73           HE1      PHE  73  50.195 -13.856  11.969
  592    HZ   PHE  73           HZ       PHE  73  51.852 -12.154  11.257
  593    H    GLU  74           HN       GLU  74  50.881 -18.244   5.681
  594    HA   GLU  74           HA       GLU  74  49.953 -20.270   4.890
  595   1HB   GLU  74           HB2      GLU  74  50.212 -21.231   7.745
  596   2HB   GLU  74           HB1      GLU  74  50.352 -22.174   6.262
  597   1HG   GLU  74           HG2      GLU  74  52.290 -20.147   6.035
  598   2HG   GLU  74           HG1      GLU  74  52.410 -20.724   7.698
  599    H    GLN  75           HN       GLN  75  48.319 -22.017   6.710
  600    HA   GLN  75           HA       GLN  75  45.736 -20.978   6.220
  601   1HB   GLN  75           HB2      GLN  75  47.000 -23.212   7.483
  602   2HB   GLN  75           HB1      GLN  75  45.737 -22.621   8.565
  603   1HG   GLN  75           HG2      GLN  75  45.405 -23.367   5.646
  604   2HG   GLN  75           HG1      GLN  75  44.764 -24.247   7.035
  605   1HE2  GLN  75          HE22      GLN  75  42.173 -21.829   7.674
  606   2HE2  GLN  75          HE21      GLN  75  43.180 -22.957   8.447
  607    H    GLY  76           HN       GLY  76  44.604 -19.355   7.213
  608   1HA   GLY  76           HA2      GLY  76  45.695 -18.240   9.747
  609   2HA   GLY  76           HA1      GLY  76  44.595 -17.399   8.653
  610    H    GLY  77           HN       GLY  77  42.501 -19.034   8.320
  611   1HA   GLY  77           HA2      GLY  77  41.283 -20.669   9.995
  612   2HA   GLY  77           HA1      GLY  77  41.422 -19.285  11.080
   
  No H/Q in entry =         612
  Start of MODEL    2
    1   1H    ALA   1           HT3      ALA   1  64.162 -14.784   4.181
    2   2H    ALA   1           HT2      ALA   1  63.421 -14.584   5.696
    3   3H    ALA   1           HT1      ALA   1  62.529 -15.191   4.384
    4    HA   ALA   1           HA       ALA   1  61.817 -13.078   4.144
    5   1HB   ALA   1           HB2      ALA   1  63.252 -12.850   6.384
    6   2HB   ALA   1           HB1      ALA   1  64.311 -11.916   5.326
    7   3HB   ALA   1           HB3      ALA   1  62.634 -11.422   5.552
    8    H    LYS   2           HN       LYS   2  65.355 -13.392   3.702
    9    HA   LYS   2           HA       LYS   2  66.706 -12.867   1.836
   10   1HB   LYS   2           HB2      LYS   2  64.194 -13.888   0.961
   11   2HB   LYS   2           HB1      LYS   2  64.625 -12.566  -0.125
   12   1HG   LYS   2           HG2      LYS   2  66.364 -13.715  -1.025
   13   2HG   LYS   2           HG1      LYS   2  66.880 -14.333   0.544
   14   1HD   LYS   2           HD2      LYS   2  66.091 -16.328  -0.189
   15   2HD   LYS   2           HD1      LYS   2  64.496 -15.658   0.157
   16   1HE   LYS   2           HE2      LYS   2  64.045 -15.214  -2.082
   17   2HE   LYS   2           HE1      LYS   2  65.762 -15.040  -2.495
   18   1HZ   LYS   2           HZ2      LYS   2  65.131 -17.620  -1.408
   19   2HZ   LYS   2           HZ1      LYS   2  64.277 -17.300  -2.841
   20   3HZ   LYS   2           HZ3      LYS   2  65.970 -17.223  -2.831
   21    H    GLN   3           HN       GLN   3  66.749 -10.687   3.122
   22    HA   GLN   3           HA       GLN   3  66.902  -8.332   2.928
   23   1HB   GLN   3           HB2      GLN   3  67.204  -9.381   0.432
   24   2HB   GLN   3           HB1      GLN   3  65.781  -8.370   0.182
   25   1HG   GLN   3           HG2      GLN   3  67.323  -6.720  -0.138
   26   2HG   GLN   3           HG1      GLN   3  67.342  -6.672   1.626
   27   1HE2  GLN   3          HE22      GLN   3  70.299  -9.079   1.380
   28   2HE2  GLN   3          HE21      GLN   3  68.685  -9.343   1.833
   29    H    ASP   4           HN       ASP   4  65.464  -6.613   3.349
   30    HA   ASP   4           HA       ASP   4  62.569  -7.092   2.756
   31   1HB   ASP   4           HB2      ASP   4  62.548  -5.814   5.196
   32   2HB   ASP   4           HB1      ASP   4  62.366  -7.549   4.978
   33    H    TYR   5           HN       TYR   5  62.329  -5.552   1.261
   34    HA   TYR   5           HA       TYR   5  63.486  -3.058   0.984
   35   1HB   TYR   5           HB2      TYR   5  60.845  -2.563   0.320
   36   2HB   TYR   5           HB1      TYR   5  62.076  -3.251  -0.735
   37    HD1  TYR   5           HD1      TYR   5  59.356  -4.107   1.626
   38    HD2  TYR   5           HD2      TYR   5  62.038  -5.487  -1.419
   39    HE1  TYR   5           HE1      TYR   5  58.084  -6.239   1.481
   40    HE2  TYR   5           HE2      TYR   5  60.769  -7.621  -1.581
   41    HH   TYR   5           HH       TYR   5  59.200  -8.957   0.196
   42    H    TYR   6           HN       TYR   6  60.549  -3.720   2.936
   43    HA   TYR   6           HA       TYR   6  60.142  -1.129   3.950
   44   1HB   TYR   6           HB2      TYR   6  59.767  -3.919   5.010
   45   2HB   TYR   6           HB1      TYR   6  59.371  -2.526   6.022
   46    HD1  TYR   6           HD1      TYR   6  57.935  -0.649   4.869
   47    HD2  TYR   6           HD2      TYR   6  58.154  -4.715   3.505
   48    HE1  TYR   6           HE1      TYR   6  55.775  -0.365   3.686
   49    HE2  TYR   6           HE2      TYR   6  55.998  -4.431   2.319
   50    HH   TYR   6           HH       TYR   6  54.029  -1.573   2.743
   51    H    GLU   7           HN       GLU   7  62.553  -3.550   4.718
   52    HA   GLU   7           HA       GLU   7  63.698  -1.910   6.905
   53   1HB   GLU   7           HB2      GLU   7  63.814  -4.664   5.895
   54   2HB   GLU   7           HB1      GLU   7  65.403  -4.031   6.324
   55   1HG   GLU   7           HG2      GLU   7  64.245  -5.133   8.249
   56   2HG   GLU   7           HG1      GLU   7  64.616  -3.434   8.550
   57    H    ILE   8           HN       ILE   8  64.153  -2.675   3.504
   58    HA   ILE   8           HA       ILE   8  66.812  -1.943   3.078
   59    HB   ILE   8           HB       ILE   8  64.317  -1.587   1.445
   60   1HG1  ILE   8          HG12      ILE   8  66.709  -3.475   1.397
   61   2HG1  ILE   8          HG11      ILE   8  65.047  -3.897   1.804
   62   1HG2  ILE   8          HG22      ILE   8  66.059   0.130   0.839
   63   2HG2  ILE   8          HG21      ILE   8  67.180  -1.192   0.518
   64   3HG2  ILE   8          HG23      ILE   8  65.721  -1.018  -0.456
   65   1HD1  ILE   8          HD12      ILE   8  65.441  -2.621  -0.850
   66   2HD1  ILE   8          HD11      ILE   8  66.097  -4.247  -0.671
   67   3HD1  ILE   8          HD13      ILE   8  64.383  -3.952  -0.387
   68    H    LEU   9           HN       LEU   9  63.926   0.102   3.294
   69    HA   LEU   9           HA       LEU   9  65.451   2.617   2.968
   70   1HB   LEU   9           HB2      LEU   9  62.638   2.282   3.987
   71   2HB   LEU   9           HB1      LEU   9  63.301   3.606   3.038
   72    HG   LEU   9           HG       LEU   9  63.684   1.271   1.503
   73   1HD1  LEU   9          HD13      LEU   9  61.729   0.621   3.268
   74   2HD1  LEU   9          HD12      LEU   9  60.764   1.406   2.019
   75   3HD1  LEU   9          HD11      LEU   9  61.771   0.016   1.612
   76   1HD2  LEU   9          HD21      LEU   9  62.507   3.879   1.351
   77   2HD2  LEU   9          HD23      LEU   9  63.028   2.843   0.026
   78   3HD2  LEU   9          HD22      LEU   9  61.381   2.725   0.640
   79    H    GLY  10           HN       GLY  10  64.633   0.448   5.494
   80   1HA   GLY  10           HA2      GLY  10  65.607   0.647   7.706
   81   2HA   GLY  10           HA1      GLY  10  65.628   2.402   7.499
   82    H    VAL  11           HN       VAL  11  62.780   0.756   6.435
   83    HA   VAL  11           HA       VAL  11  61.319   1.899   8.792
   84    HB   VAL  11           HB       VAL  11  59.557   1.028   6.734
   85   1HG1  VAL  11          HG11      VAL  11  60.493   3.728   7.690
   86   2HG1  VAL  11          HG13      VAL  11  59.182   3.522   6.529
   87   3HG1  VAL  11          HG12      VAL  11  59.030   2.860   8.157
   88   1HG2  VAL  11          HG23      VAL  11  61.993   2.454   5.706
   89   2HG2  VAL  11          HG22      VAL  11  61.167   1.052   5.028
   90   3HG2  VAL  11          HG21      VAL  11  60.426   2.642   4.929
   91    H    SER  12           HN       SER  12  59.270   0.628   9.311
   92    HA   SER  12           HA       SER  12  59.960  -2.211   9.671
   93   1HB   SER  12           HB2      SER  12  58.306  -0.171  10.918
   94   2HB   SER  12           HB1      SER  12  57.404  -1.664  10.676
   95    HG   SER  12           HG       SER  12  58.517  -1.715  12.648
   96    H    LYS  13           HN       LYS  13  58.577  -3.918   8.830
   97    HA   LYS  13           HA       LYS  13  57.611  -3.466   6.218
   98   1HB   LYS  13           HB2      LYS  13  56.054  -5.566   7.085
   99   2HB   LYS  13           HB1      LYS  13  57.653  -5.703   6.381
  100   1HG   LYS  13           HG2      LYS  13  57.441  -6.960   8.517
  101   2HG   LYS  13           HG1      LYS  13  58.669  -5.702   8.609
  102   1HD   LYS  13           HD2      LYS  13  56.383  -4.368   9.391
  103   2HD   LYS  13           HD1      LYS  13  56.142  -5.967  10.084
  104   1HE   LYS  13           HE2      LYS  13  58.805  -5.480  10.654
  105   2HE   LYS  13           HE1      LYS  13  58.058  -3.883  10.863
  106   1HZ   LYS  13           HZ2      LYS  13  56.632  -6.237  11.873
  107   2HZ   LYS  13           HZ1      LYS  13  57.954  -5.663  12.772
  108   3HZ   LYS  13           HZ3      LYS  13  56.635  -4.643  12.461
  109    H    THR  14           HN       THR  14  56.298  -2.558   9.211
  110    HA   THR  14           HA       THR  14  53.578  -2.140   8.097
  111    HB   THR  14           HB       THR  14  52.901  -2.223  10.306
  112    HG1  THR  14           HG1      THR  14  55.402  -1.192  11.132
  113   1HG2  THR  14          HG23      THR  14  54.501  -4.196   9.818
  114   2HG2  THR  14          HG22      THR  14  55.651  -3.343  10.848
  115   3HG2  THR  14          HG21      THR  14  54.103  -3.872  11.506
  116    H    ALA  15           HN       ALA  15  56.407  -0.561   7.854
  117    HA   ALA  15           HA       ALA  15  56.186   2.018   8.887
  118   1HB   ALA  15           HB3      ALA  15  57.230   0.898   6.291
  119   2HB   ALA  15           HB2      ALA  15  57.557   2.542   6.829
  120   3HB   ALA  15           HB1      ALA  15  58.120   1.177   7.784
  121    H    GLU  16           HN       GLU  16  56.210   3.497   6.382
  122    HA   GLU  16           HA       GLU  16  53.579   3.363   5.139
  123   1HB   GLU  16           HB2      GLU  16  54.165   4.971   7.527
  124   2HB   GLU  16           HB1      GLU  16  53.493   5.925   6.201
  125   1HG   GLU  16           HG2      GLU  16  52.286   3.358   7.262
  126   2HG   GLU  16           HG1      GLU  16  51.735   4.976   7.686
  127    H    GLU  17           HN       GLU  17  53.784   4.275   3.142
  128    HA   GLU  17           HA       GLU  17  56.040   5.051   1.835
  129   1HB   GLU  17           HB2      GLU  17  54.477   6.501   0.443
  130   2HB   GLU  17           HB1      GLU  17  53.943   4.841   0.705
  131   1HG   GLU  17           HG2      GLU  17  52.893   6.157   2.896
  132   2HG   GLU  17           HG1      GLU  17  52.734   7.357   1.614
  133    H    ARG  18           HN       ARG  18  54.359   7.079   4.193
  134    HA   ARG  18           HA       ARG  18  55.825   9.496   3.416
  135   1HB   ARG  18           HB2      ARG  18  54.724  10.333   5.567
  136   2HB   ARG  18           HB1      ARG  18  53.614   9.723   4.339
  137   1HG   ARG  18           HG2      ARG  18  53.121   7.805   5.534
  138   2HG   ARG  18           HG1      ARG  18  54.679   7.792   6.358
  139   1HD   ARG  18           HD2      ARG  18  53.018  10.157   6.971
  140   2HD   ARG  18           HD1      ARG  18  52.353   8.615   7.545
  141    HE   ARG  18           HE       ARG  18  55.234   9.075   8.039
  142   1HH1  ARG  18          HH21      ARG  18  53.886   6.996   9.571
  143   2HH1  ARG  18          HH22      ARG  18  53.484   7.782  11.062
  144   1HH2  ARG  18          HH11      ARG  18  53.899  10.982   9.794
  145   2HH2  ARG  18          HH12      ARG  18  53.489  10.039  11.187
  146    H    GLU  19           HN       GLU  19  56.215   6.933   5.772
  147    HA   GLU  19           HA       GLU  19  58.580   8.291   6.936
  148   1HB   GLU  19           HB2      GLU  19  58.367   5.963   8.290
  149   2HB   GLU  19           HB1      GLU  19  57.458   7.393   8.751
  150   1HG   GLU  19           HG2      GLU  19  55.504   6.592   7.570
  151   2HG   GLU  19           HG1      GLU  19  56.417   5.251   6.883
  152    H    ILE  20           HN       ILE  20  57.536   5.966   4.653
  153    HA   ILE  20           HA       ILE  20  59.936   4.320   4.571
  154    HB   ILE  20           HB       ILE  20  57.722   4.947   2.593
  155   1HG1  ILE  20          HG12      ILE  20  57.175   3.810   4.839
  156   2HG1  ILE  20          HG11      ILE  20  56.617   2.995   3.388
  157   1HG2  ILE  20          HG23      ILE  20  60.171   3.812   2.031
  158   2HG2  ILE  20          HG22      ILE  20  59.144   2.408   2.282
  159   3HG2  ILE  20          HG21      ILE  20  58.708   3.611   1.074
  160   1HD1  ILE  20          HD13      ILE  20  59.081   1.864   3.671
  161   2HD1  ILE  20          HD12      ILE  20  58.663   2.169   5.351
  162   3HD1  ILE  20          HD11      ILE  20  57.607   1.182   4.350
  163    H    ARG  21           HN       ARG  21  58.569   6.867   2.490
  164    HA   ARG  21           HA       ARG  21  60.840   7.398   0.873
  165   1HB   ARG  21           HB2      ARG  21  59.741   9.658   0.695
  166   2HB   ARG  21           HB1      ARG  21  58.573   8.344   0.535
  167   1HG   ARG  21           HG2      ARG  21  57.516   9.757   2.072
  168   2HG   ARG  21           HG1      ARG  21  58.322   8.597   3.127
  169   1HD   ARG  21           HD2      ARG  21  59.521  10.263   4.079
  170   2HD   ARG  21           HD1      ARG  21  60.149  10.748   2.491
  171    HE   ARG  21           HE       ARG  21  57.668  11.796   3.754
  172   1HH1  ARG  21          HH11      ARG  21  58.578  11.205   0.632
  173   2HH1  ARG  21          HH12      ARG  21  58.601  12.857   0.112
  174   1HH2  ARG  21          HH21      ARG  21  58.242  14.149   3.310
  175   2HH2  ARG  21          HH22      ARG  21  58.412  14.524   1.628
  176    H    LYS  22           HN       LYS  22  60.006   8.112   4.156
  177    HA   LYS  22           HA       LYS  22  62.060  10.091   4.699
  178   1HB   LYS  22           HB2      LYS  22  59.710   9.429   5.789
  179   2HB   LYS  22           HB1      LYS  22  60.732   8.384   6.778
  180   1HG   LYS  22           HG2      LYS  22  61.337  11.321   6.371
  181   2HG   LYS  22           HG1      LYS  22  60.324  10.737   7.692
  182   1HD   LYS  22           HD2      LYS  22  62.943   9.374   7.301
  183   2HD   LYS  22           HD1      LYS  22  62.984  11.010   7.950
  184   1HE   LYS  22           HE2      LYS  22  60.890   9.689   9.323
  185   2HE   LYS  22           HE1      LYS  22  62.265   8.567   9.305
  186   1HZ   LYS  22           HZ1      LYS  22  63.683  10.525   9.904
  187   2HZ   LYS  22           HZ3      LYS  22  62.259  11.400  10.190
  188   3HZ   LYS  22           HZ2      LYS  22  62.613  10.026  11.125
  189    H    ALA  23           HN       ALA  23  61.627   6.619   5.448
  190    HA   ALA  23           HA       ALA  23  63.943   6.120   6.943
  191   1HB   ALA  23           HB3      ALA  23  61.880   4.692   5.883
  192   2HB   ALA  23           HB2      ALA  23  63.206   4.142   4.861
  193   3HB   ALA  23           HB1      ALA  23  63.302   3.942   6.610
  194    H    TYR  24           HN       TYR  24  63.560   6.281   3.417
  195    HA   TYR  24           HA       TYR  24  66.340   5.673   2.824
  196   1HB   TYR  24           HB2      TYR  24  64.372   5.285   1.323
  197   2HB   TYR  24           HB1      TYR  24  64.121   7.022   1.234
  198    HD1  TYR  24           HD1      TYR  24  67.537   5.689   1.415
  199    HD2  TYR  24           HD2      TYR  24  64.411   7.021  -1.215
  200    HE1  TYR  24           HE1      TYR  24  69.170   5.862  -0.440
  201    HE2  TYR  24           HE2      TYR  24  66.047   7.192  -3.070
  202    HH   TYR  24           HH       TYR  24  69.456   6.946  -2.544
  203    H    LYS  25           HN       LYS  25  64.267   8.523   2.997
  204    HA   LYS  25           HA       LYS  25  66.018  10.601   2.316
  205   1HB   LYS  25           HB2      LYS  25  63.533  10.097   3.632
  206   2HB   LYS  25           HB1      LYS  25  64.418  11.285   4.583
  207   1HG   LYS  25           HG2      LYS  25  63.963  12.885   3.064
  208   2HG   LYS  25           HG1      LYS  25  64.677  11.905   1.781
  209   1HD   LYS  25           HD2      LYS  25  62.650  10.986   1.161
  210   2HD   LYS  25           HD1      LYS  25  61.971  11.130   2.783
  211   1HE   LYS  25           HE2      LYS  25  60.832  12.788   1.474
  212   2HE   LYS  25           HE1      LYS  25  62.054  13.691   2.390
  213   1HZ   LYS  25           HZ2      LYS  25  62.731  12.500  -0.220
  214   2HZ   LYS  25           HZ1      LYS  25  61.944  14.006  -0.155
  215   3HZ   LYS  25           HZ3      LYS  25  63.461  13.810   0.578
  216    H    ARG  26           HN       ARG  26  65.568   8.986   5.465
  217    HA   ARG  26           HA       ARG  26  67.288  10.567   7.049
  218   1HB   ARG  26           HB2      ARG  26  66.318   7.726   7.041
  219   2HB   ARG  26           HB1      ARG  26  67.507   8.223   8.245
  220   1HG   ARG  26           HG2      ARG  26  65.667  10.293   8.298
  221   2HG   ARG  26           HG1      ARG  26  64.655   8.867   8.070
  222   1HD   ARG  26           HD2      ARG  26  65.110   9.433  10.503
  223   2HD   ARG  26           HD1      ARG  26  65.626   7.799  10.041
  224    HE   ARG  26           HE       ARG  26  67.917   8.561  10.029
  225   1HH1  ARG  26          HH11      ARG  26  67.758  11.274   8.982
  226   2HH1  ARG  26          HH12      ARG  26  67.981  12.268  10.383
  227   1HH2  ARG  26          HH21      ARG  26  67.276   9.723  12.628
  228   2HH2  ARG  26          HH22      ARG  26  67.711  11.390  12.446
  229    H    LEU  27           HN       LEU  27  68.079   7.488   5.391
  230    HA   LEU  27           HA       LEU  27  70.939   7.790   5.912
  231   1HB   LEU  27           HB2      LEU  27  71.055   5.632   4.939
  232   2HB   LEU  27           HB1      LEU  27  69.468   5.664   5.708
  233    HG   LEU  27           HG       LEU  27  68.763   6.614   3.311
  234   1HD1  LEU  27          HD12      LEU  27  71.411   6.083   2.840
  235   2HD1  LEU  27          HD11      LEU  27  70.650   4.586   2.303
  236   3HD1  LEU  27          HD13      LEU  27  70.168   6.125   1.590
  237   1HD2  LEU  27          HD21      LEU  27  67.894   4.588   4.490
  238   2HD2  LEU  27          HD23      LEU  27  68.065   4.341   2.752
  239   3HD2  LEU  27          HD22      LEU  27  69.264   3.673   3.860
  240    H    ALA  28           HN       ALA  28  68.700   8.408   3.306
  241    HA   ALA  28           HA       ALA  28  70.689   8.797   1.239
  242   1HB   ALA  28           HB1      ALA  28  68.276   8.118   0.995
  243   2HB   ALA  28           HB3      ALA  28  67.821   9.752   1.478
  244   3HB   ALA  28           HB2      ALA  28  68.721   9.492  -0.017
  245    H    MET  29           HN       MET  29  68.790  10.983   3.354
  246    HA   MET  29           HA       MET  29  69.858  13.417   2.251
  247   1HB   MET  29           HB2      MET  29  68.889  14.419   4.192
  248   2HB   MET  29           HB1      MET  29  67.884  13.004   3.887
  249   1HG   MET  29           HG2      MET  29  69.461  11.757   5.495
  250   2HG   MET  29           HG1      MET  29  70.036  13.352   5.975
  251   1HE   MET  29           HE2      MET  29  68.979  15.055   6.804
  252   2HE   MET  29           HE1      MET  29  67.307  15.325   6.321
  253   3HE   MET  29           HE3      MET  29  67.696  14.966   8.008
  254    H    LYS  30           HN       LYS  30  71.037  10.990   4.435
  255    HA   LYS  30           HA       LYS  30  73.395  12.570   5.271
  256   1HB   LYS  30           HB2      LYS  30  71.998  10.055   5.976
  257   2HB   LYS  30           HB1      LYS  30  73.754   9.988   6.131
  258   1HG   LYS  30           HG2      LYS  30  73.753  11.347   7.939
  259   2HG   LYS  30           HG1      LYS  30  72.609  12.467   7.198
  260   1HD   LYS  30           HD2      LYS  30  70.935  11.616   8.437
  261   2HD   LYS  30           HD1      LYS  30  71.250  10.005   7.789
  262   1HE   LYS  30           HE2      LYS  30  72.352   9.345   9.672
  263   2HE   LYS  30           HE1      LYS  30  73.221  10.887   9.806
  264   1HZ   LYS  30           HZ2      LYS  30  71.088  11.911  10.493
  265   2HZ   LYS  30           HZ1      LYS  30  70.390  10.363  10.545
  266   3HZ   LYS  30           HZ3      LYS  30  71.660  10.755  11.598
  267    H    TYR  31           HN       TYR  31  72.433  10.352   2.790
  268    HA   TYR  31           HA       TYR  31  75.279   9.751   2.119
  269   1HB   TYR  31           HB2      TYR  31  72.625   8.459   1.704
  270   2HB   TYR  31           HB1      TYR  31  73.855   8.195   0.468
  271    HD1  TYR  31           HD2      TYR  31  75.044   8.910   3.819
  272    HD2  TYR  31           HD1      TYR  31  73.833   5.755   1.168
  273    HE1  TYR  31           HE2      TYR  31  76.164   7.256   5.282
  274    HE2  TYR  31           HE1      TYR  31  74.953   4.100   2.631
  275    HH   TYR  31           HH       TYR  31  77.201   4.777   4.797
  276    H    HIS  32           HN       HIS  32  73.200  12.055   1.475
  277    HA   HIS  32           HA       HIS  32  72.910  12.386  -1.295
  278   1HB   HIS  32           HB2      HIS  32  72.510  14.643  -0.570
  279   2HB   HIS  32           HB1      HIS  32  72.031  13.590   0.748
  280    HD1  HIS  32           HD1      HIS  32  74.713  12.921   2.072
  281    HD2  HIS  32           HD2      HIS  32  73.713  16.757   0.781
  282    HE1  HIS  32           HE1      HIS  32  76.141  14.528   3.407
  283    HA   PRO  33           HA       PRO  33  76.811  13.680  -2.868
  284   1HB   PRO  33           HB2      PRO  33  77.277  16.386  -2.788
  285   2HB   PRO  33           HB1      PRO  33  76.210  15.603  -3.971
  286   1HG   PRO  33           HG2      PRO  33  75.515  17.021  -1.449
  287   2HG   PRO  33           HG1      PRO  33  74.709  17.062  -3.025
  288   1HD   PRO  33           HD2      PRO  33  73.793  15.651  -0.960
  289   2HD   PRO  33           HD1      PRO  33  73.561  15.122  -2.634
  290    H    ASP  34           HN       ASP  34  76.999  12.744  -0.401
  291    HA   ASP  34           HA       ASP  34  79.098  14.352   1.006
  292   1HB   ASP  34           HB2      ASP  34  77.811  13.891   2.840
  293   2HB   ASP  34           HB1      ASP  34  76.679  13.013   1.820
  294    H    ARG  35           HN       ARG  35  78.045  11.131  -0.019
  295    HA   ARG  35           HA       ARG  35  80.883  10.316  -0.416
  296   1HB   ARG  35           HB2      ARG  35  80.303   8.175   0.736
  297   2HB   ARG  35           HB1      ARG  35  80.143   9.568   1.808
  298   1HG   ARG  35           HG2      ARG  35  78.139   8.380   2.171
  299   2HG   ARG  35           HG1      ARG  35  77.669   9.620   1.009
  300   1HD   ARG  35           HD2      ARG  35  77.004   8.006  -0.412
  301   2HD   ARG  35           HD1      ARG  35  78.669   7.391  -0.468
  302    HE   ARG  35           HE       ARG  35  76.582   6.482   1.466
  303   1HH1  ARG  35          HH11      ARG  35  78.902   5.524  -0.741
  304   2HH1  ARG  35          HH12      ARG  35  79.612   4.301   0.259
  305   1HH2  ARG  35          HH21      ARG  35  77.836   5.205   3.093
  306   2HH2  ARG  35          HH22      ARG  35  79.007   4.118   2.425
  307    H    ASN  36           HN       ASN  36  77.426   9.929  -1.130
  308    HA   ASN  36           HA       ASN  36  77.268   7.741  -2.791
  309   1HB   ASN  36           HB2      ASN  36  75.961  10.271  -2.400
  310   2HB   ASN  36           HB1      ASN  36  76.006   9.909  -4.124
  311   1HD2  ASN  36          HD22      ASN  36  73.228   8.083  -2.024
  312   2HD2  ASN  36          HD21      ASN  36  73.939   9.579  -1.654
  313    H    GLN  37           HN       GLN  37  79.009  10.722  -3.393
  314    HA   GLN  37           HA       GLN  37  79.353  10.737  -6.152
  315   1HB   GLN  37           HB2      GLN  37  81.516  11.127  -4.058
  316   2HB   GLN  37           HB1      GLN  37  81.445  11.881  -5.651
  317   1HG   GLN  37           HG2      GLN  37  79.017  12.601  -4.642
  318   2HG   GLN  37           HG1      GLN  37  79.992  12.576  -3.172
  319   1HE2  GLN  37          HE22      GLN  37  81.245  15.122  -6.162
  320   2HE2  GLN  37          HE21      GLN  37  80.584  13.618  -6.587
  321    H    GLY  38           HN       GLY  38  80.500   8.379  -3.843
  322   1HA   GLY  38           HA2      GLY  38  82.205   7.117  -5.947
  323   2HA   GLY  38           HA1      GLY  38  82.336   6.790  -4.217
  324    H    ASP  39           HN       ASP  39  79.264   7.004  -5.917
  325    HA   ASP  39           HA       ASP  39  78.333   4.491  -4.874
  326   1HB   ASP  39           HB2      ASP  39  76.434   4.989  -6.448
  327   2HB   ASP  39           HB1      ASP  39  76.872   6.359  -5.431
  328    H    LYS  40           HN       LYS  40  80.598   3.568  -5.894
  329    HA   LYS  40           HA       LYS  40  80.306   2.701  -8.706
  330   1HB   LYS  40           HB2      LYS  40  82.421   3.434  -7.387
  331   2HB   LYS  40           HB1      LYS  40  82.373   1.804  -6.712
  332   1HG   LYS  40           HG2      LYS  40  82.340   0.886  -9.035
  333   2HG   LYS  40           HG1      LYS  40  82.520   2.528  -9.653
  334   1HD   LYS  40           HD2      LYS  40  84.742   1.971  -9.570
  335   2HD   LYS  40           HD1      LYS  40  84.558   2.516  -7.903
  336   1HE   LYS  40           HE2      LYS  40  83.811  -0.030  -7.538
  337   2HE   LYS  40           HE1      LYS  40  84.849  -0.267  -8.958
  338   1HZ   LYS  40           HZ1      LYS  40  86.490   1.224  -7.770
  339   2HZ   LYS  40           HZ3      LYS  40  85.554   0.998  -6.374
  340   3HZ   LYS  40           HZ2      LYS  40  86.295  -0.335  -7.122
  341    H    GLU  41           HN       GLU  41  78.482   1.751  -6.418
  342    HA   GLU  41           HA       GLU  41  77.979  -0.895  -7.238
  343   1HB   GLU  41           HB2      GLU  41  79.112  -1.967  -5.101
  344   2HB   GLU  41           HB1      GLU  41  80.076  -1.670  -6.546
  345   1HG   GLU  41           HG2      GLU  41  81.391  -0.212  -5.449
  346   2HG   GLU  41           HG1      GLU  41  80.003   0.700  -4.870
  347    H    ALA  42           HN       ALA  42  78.461   0.667  -4.032
  348    HA   ALA  42           HA       ALA  42  76.085  -0.329  -2.833
  349   1HB   ALA  42           HB2      ALA  42  78.113   0.890  -1.822
  350   2HB   ALA  42           HB1      ALA  42  77.352   2.387  -2.363
  351   3HB   ALA  42           HB3      ALA  42  76.537   1.358  -1.184
  352    H    GLU  43           HN       GLU  43  76.630   2.021  -5.297
  353    HA   GLU  43           HA       GLU  43  74.657   3.932  -5.210
  354   1HB   GLU  43           HB2      GLU  43  76.173   3.306  -7.139
  355   2HB   GLU  43           HB1      GLU  43  75.029   2.021  -7.524
  356   1HG   GLU  43           HG2      GLU  43  73.355   3.491  -8.156
  357   2HG   GLU  43           HG1      GLU  43  73.996   4.810  -7.175
  358    H    ALA  44           HN       ALA  44  74.159   0.556  -6.171
  359    HA   ALA  44           HA       ALA  44  71.445   0.768  -6.765
  360   1HB   ALA  44           HB2      ALA  44  73.448  -1.212  -6.569
  361   2HB   ALA  44           HB1      ALA  44  72.095  -1.799  -5.605
  362   3HB   ALA  44           HB3      ALA  44  71.856  -1.391  -7.303
  363    H    LYS  45           HN       LYS  45  72.781  -0.607  -3.725
  364    HA   LYS  45           HA       LYS  45  70.450  -0.929  -2.272
  365   1HB   LYS  45           HB2      LYS  45  72.596  -1.470  -1.333
  366   2HB   LYS  45           HB1      LYS  45  73.131   0.213  -1.439
  367   1HG   LYS  45           HG2      LYS  45  71.595   0.906   0.259
  368   2HG   LYS  45           HG1      LYS  45  70.728  -0.630   0.197
  369   1HD   LYS  45           HD2      LYS  45  73.652  -0.668   0.849
  370   2HD   LYS  45           HD1      LYS  45  72.515  -0.171   2.104
  371   1HE   LYS  45           HE2      LYS  45  72.177  -2.382   2.507
  372   2HE   LYS  45           HE1      LYS  45  71.348  -2.453   0.938
  373   1HZ   LYS  45           HZ3      LYS  45  73.901  -2.404   0.171
  374   2HZ   LYS  45           HZ2      LYS  45  74.052  -3.251   1.635
  375   3HZ   LYS  45           HZ1      LYS  45  73.030  -3.838   0.412
  376    H    PHE  46           HN       PHE  46  71.991   2.097  -3.189
  377    HA   PHE  46           HA       PHE  46  70.471   3.812  -1.428
  378   1HB   PHE  46           HB2      PHE  46  71.753   4.444  -4.103
  379   2HB   PHE  46           HB1      PHE  46  71.446   5.568  -2.782
  380    HD1  PHE  46           HD2      PHE  46  72.220   3.106  -0.771
  381    HD2  PHE  46           HD1      PHE  46  74.163   5.241  -3.953
  382    HE1  PHE  46           HE2      PHE  46  74.431   2.562   0.214
  383    HE2  PHE  46           HE1      PHE  46  76.373   4.697  -2.968
  384    HZ   PHE  46           HZ       PHE  46  76.508   3.359  -0.885
  385    H    LYS  47           HN       LYS  47  70.099   3.012  -4.940
  386    HA   LYS  47           HA       LYS  47  67.450   4.349  -4.903
  387   1HB   LYS  47           HB2      LYS  47  67.836   4.516  -7.148
  388   2HB   LYS  47           HB1      LYS  47  69.468   3.977  -6.772
  389   1HG   LYS  47           HG2      LYS  47  67.172   2.109  -7.430
  390   2HG   LYS  47           HG1      LYS  47  68.378   2.650  -8.599
  391   1HD   LYS  47           HD2      LYS  47  69.956   1.797  -6.522
  392   2HD   LYS  47           HD1      LYS  47  68.616   0.654  -6.449
  393   1HE   LYS  47           HE2      LYS  47  70.141   1.295  -8.999
  394   2HE   LYS  47           HE1      LYS  47  70.428  -0.139  -7.992
  395   1HZ   LYS  47           HZ3      LYS  47  67.955  -0.523  -8.154
  396   2HZ   LYS  47           HZ2      LYS  47  67.938   0.630  -9.401
  397   3HZ   LYS  47           HZ1      LYS  47  68.839  -0.799  -9.576
  398    H    GLU  48           HN       GLU  48  68.786   1.289  -4.316
  399    HA   GLU  48           HA       GLU  48  66.714  -0.500  -5.162
  400   1HB   GLU  48           HB2      GLU  48  68.868  -0.387  -3.053
  401   2HB   GLU  48           HB1      GLU  48  67.731  -1.728  -3.052
  402   1HG   GLU  48           HG2      GLU  48  69.176  -0.937  -5.572
  403   2HG   GLU  48           HG1      GLU  48  69.948  -1.991  -4.387
  404    H    ILE  49           HN       ILE  49  67.304   1.571  -2.460
  405    HA   ILE  49           HA       ILE  49  65.194   0.797  -0.687
  406    HB   ILE  49           HB       ILE  49  66.592   3.410  -1.282
  407   1HG1  ILE  49          HG12      ILE  49  67.137   1.744   1.126
  408   2HG1  ILE  49          HG11      ILE  49  67.744   1.159  -0.422
  409   1HG2  ILE  49          HG23      ILE  49  64.891   2.610   1.073
  410   2HG2  ILE  49          HG22      ILE  49  65.915   4.042   1.031
  411   3HG2  ILE  49          HG21      ILE  49  64.556   3.896  -0.083
  412   1HD1  ILE  49          HD13      ILE  49  68.667   3.560  -0.731
  413   2HD1  ILE  49          HD12      ILE  49  68.418   3.726   1.007
  414   3HD1  ILE  49          HD11      ILE  49  69.512   2.489   0.385
  415    H    LYS  50           HN       LYS  50  65.449   3.414  -3.064
  416    HA   LYS  50           HA       LYS  50  62.862   4.485  -2.957
  417   1HB   LYS  50           HB2      LYS  50  64.854   5.211  -4.336
  418   2HB   LYS  50           HB1      LYS  50  64.482   3.904  -5.459
  419   1HG   LYS  50           HG2      LYS  50  62.066   4.993  -5.419
  420   2HG   LYS  50           HG1      LYS  50  62.963   6.429  -4.919
  421   1HD   LYS  50           HD2      LYS  50  64.489   5.431  -7.009
  422   2HD   LYS  50           HD1      LYS  50  62.835   5.140  -7.546
  423   1HE   LYS  50           HE2      LYS  50  62.263   7.445  -7.402
  424   2HE   LYS  50           HE1      LYS  50  63.699   7.820  -6.428
  425   1HZ   LYS  50           HZ2      LYS  50  64.105   6.521  -9.017
  426   2HZ   LYS  50           HZ1      LYS  50  63.685   8.168  -9.030
  427   3HZ   LYS  50           HZ3      LYS  50  65.079   7.655  -8.211
  428    H    GLU  51           HN       GLU  51  63.980   1.592  -4.718
  429    HA   GLU  51           HA       GLU  51  61.696   0.906  -6.170
  430   1HB   GLU  51           HB2      GLU  51  63.877  -0.305  -6.105
  431   2HB   GLU  51           HB1      GLU  51  63.465  -0.912  -4.500
  432   1HG   GLU  51           HG2      GLU  51  62.053  -2.479  -5.324
  433   2HG   GLU  51           HG1      GLU  51  61.358  -1.360  -6.498
  434    H    ALA  52           HN       ALA  52  62.282   0.586  -2.689
  435    HA   ALA  52           HA       ALA  52  60.366  -1.057  -1.666
  436   1HB   ALA  52           HB2      ALA  52  61.905   0.558  -0.496
  437   2HB   ALA  52           HB1      ALA  52  60.733   1.831  -0.836
  438   3HB   ALA  52           HB3      ALA  52  60.288   0.480   0.205
  439    H    TYR  53           HN       TYR  53  59.675   2.020  -3.296
  440    HA   TYR  53           HA       TYR  53  56.926   2.287  -2.629
  441   1HB   TYR  53           HB2      TYR  53  58.345   2.921  -5.238
  442   2HB   TYR  53           HB1      TYR  53  56.906   3.730  -4.597
  443    HD1  TYR  53           HD1      TYR  53  57.747   3.592  -1.670
  444    HD2  TYR  53           HD2      TYR  53  59.841   4.868  -5.185
  445    HE1  TYR  53           HE1      TYR  53  59.185   5.019  -0.266
  446    HE2  TYR  53           HE2      TYR  53  61.287   6.309  -3.782
  447    HH   TYR  53           HH       TYR  53  62.051   6.310  -1.310
  448    H    GLU  54           HN       GLU  54  58.525  -0.098  -4.461
  449    HA   GLU  54           HA       GLU  54  56.199  -0.966  -6.039
  450   1HB   GLU  54           HB2      GLU  54  57.773  -2.778  -6.616
  451   2HB   GLU  54           HB1      GLU  54  58.594  -1.218  -6.722
  452   1HG   GLU  54           HG2      GLU  54  60.123  -2.006  -5.273
  453   2HG   GLU  54           HG1      GLU  54  58.863  -2.016  -4.044
  454    H    VAL  55           HN       VAL  55  56.604  -0.857  -2.856
  455    HA   VAL  55           HA       VAL  55  55.298  -3.480  -2.371
  456    HB   VAL  55           HB       VAL  55  58.001  -2.738  -1.897
  457   1HG1  VAL  55          HG13      VAL  55  56.365  -3.009   0.624
  458   2HG1  VAL  55          HG12      VAL  55  58.116  -3.199   0.564
  459   3HG1  VAL  55          HG11      VAL  55  57.384  -1.650   0.153
  460   1HG2  VAL  55          HG22      VAL  55  56.682  -5.010  -2.294
  461   2HG2  VAL  55          HG21      VAL  55  58.256  -4.988  -1.499
  462   3HG2  VAL  55          HG23      VAL  55  56.785  -5.095  -0.534
  463    H    LEU  56           HN       LEU  56  56.353  -0.392  -0.861
  464    HA   LEU  56           HA       LEU  56  54.149  -0.579   1.102
  465   1HB   LEU  56           HB2      LEU  56  55.223   1.538   1.926
  466   2HB   LEU  56           HB1      LEU  56  56.320   0.155   1.832
  467    HG   LEU  56           HG       LEU  56  56.353   1.420  -0.711
  468   1HD1  LEU  56          HD11      LEU  56  56.595   3.311   1.634
  469   2HD1  LEU  56          HD13      LEU  56  57.205   3.676   0.027
  470   3HD1  LEU  56          HD12      LEU  56  55.479   3.438   0.280
  471   1HD2  LEU  56          HD22      LEU  56  58.222   1.015   1.607
  472   2HD2  LEU  56          HD21      LEU  56  58.281   0.296   0.004
  473   3HD2  LEU  56          HD23      LEU  56  58.746   1.981   0.227
  474    H    THR  57           HN       THR  57  54.588   0.967  -2.002
  475    HA   THR  57           HA       THR  57  52.420   2.911  -1.337
  476    HB   THR  57           HB       THR  57  53.228   4.173  -3.189
  477    HG1  THR  57           HG1      THR  57  55.099   2.883  -4.328
  478   1HG2  THR  57          HG22      THR  57  55.450   2.838  -1.641
  479   2HG2  THR  57          HG21      THR  57  55.779   4.109  -2.817
  480   3HG2  THR  57          HG23      THR  57  54.768   4.447  -1.414
  481    H    ASP  58           HN       ASP  58  51.886  -0.015  -1.908
  482    HA   ASP  58           HA       ASP  58  49.771   0.449  -3.921
  483   1HB   ASP  58           HB2      ASP  58  52.285  -0.797  -4.501
  484   2HB   ASP  58           HB1      ASP  58  51.017  -2.019  -4.602
  485    H    SER  59           HN       SER  59  48.017  -0.303  -3.062
  486    HA   SER  59           HA       SER  59  47.655  -1.648  -0.750
  487   1HB   SER  59           HB2      SER  59  45.699  -0.938  -1.757
  488   2HB   SER  59           HB1      SER  59  46.190  -1.532  -3.341
  489    HG   SER  59           HG       SER  59  44.767  -3.025  -2.761
  490    H    GLN  60           HN       GLN  60  48.109  -3.283  -3.899
  491    HA   GLN  60           HA       GLN  60  47.990  -5.956  -2.800
  492   1HB   GLN  60           HB2      GLN  60  49.077  -6.497  -5.027
  493   2HB   GLN  60           HB1      GLN  60  47.609  -5.529  -5.152
  494   1HG   GLN  60           HG2      GLN  60  48.813  -3.544  -5.599
  495   2HG   GLN  60           HG1      GLN  60  50.325  -4.226  -5.000
  496   1HE2  GLN  60          HE22      GLN  60  50.906  -6.143  -8.010
  497   2HE2  GLN  60          HE21      GLN  60  51.129  -6.213  -6.329
  498    H    LYS  61           HN       LYS  61  50.533  -3.601  -3.274
  499    HA   LYS  61           HA       LYS  61  52.765  -5.380  -2.643
  500   1HB   LYS  61           HB2      LYS  61  52.163  -2.581  -3.341
  501   2HB   LYS  61           HB1      LYS  61  53.612  -2.817  -2.416
  502   1HG   LYS  61           HG2      LYS  61  54.077  -2.929  -4.836
  503   2HG   LYS  61           HG1      LYS  61  54.437  -4.454  -4.028
  504   1HD   LYS  61           HD2      LYS  61  51.967  -5.067  -4.648
  505   2HD   LYS  61           HD1      LYS  61  52.138  -3.780  -5.841
  506   1HE   LYS  61           HE2      LYS  61  54.491  -5.465  -5.889
  507   2HE   LYS  61           HE1      LYS  61  53.030  -6.447  -6.106
  508   1HZ   LYS  61           HZ1      LYS  61  52.348  -4.415  -7.593
  509   2HZ   LYS  61           HZ3      LYS  61  54.027  -4.219  -7.732
  510   3HZ   LYS  61           HZ2      LYS  61  53.299  -5.673  -8.224
  511    H    ARG  62           HN       ARG  62  51.083  -2.724  -0.908
  512    HA   ARG  62           HA       ARG  62  52.507  -3.192   1.587
  513   1HB   ARG  62           HB2      ARG  62  50.850  -1.599   2.441
  514   2HB   ARG  62           HB1      ARG  62  51.382  -1.062   0.842
  515   1HG   ARG  62           HG2      ARG  62  49.436  -2.004  -0.203
  516   2HG   ARG  62           HG1      ARG  62  48.947  -2.793   1.294
  517   1HD   ARG  62           HD2      ARG  62  47.704  -0.612   0.770
  518   2HD   ARG  62           HD1      ARG  62  48.495  -0.655   2.358
  519    HE   ARG  62           HE       ARG  62  49.911   0.503  -0.008
  520   1HH1  ARG  62          HH21      ARG  62  51.254   0.413   2.656
  521   2HH1  ARG  62          HH22      ARG  62  50.929   1.992   3.287
  522   1HH2  ARG  62          HH11      ARG  62  48.369   2.650   1.040
  523   2HH2  ARG  62          HH12      ARG  62  49.293   3.260   2.371
  524    H    ALA  63           HN       ALA  63  50.079  -4.827  -0.081
  525    HA   ALA  63           HA       ALA  63  48.713  -5.962   2.284
  526   1HB   ALA  63           HB1      ALA  63  48.538  -6.289  -0.728
  527   2HB   ALA  63           HB3      ALA  63  47.624  -7.321   0.371
  528   3HB   ALA  63           HB2      ALA  63  47.335  -5.581   0.351
  529    H    ALA  64           HN       ALA  64  51.131  -6.638  -0.130
  530    HA   ALA  64           HA       ALA  64  51.565  -9.443   0.491
  531   1HB   ALA  64           HB1      ALA  64  52.214  -8.031  -1.580
  532   2HB   ALA  64           HB3      ALA  64  53.523  -7.387  -0.589
  533   3HB   ALA  64           HB2      ALA  64  53.464  -9.111  -0.959
  534    H    TYR  65           HN       TYR  65  52.659  -6.319   1.564
  535    HA   TYR  65           HA       TYR  65  54.850  -6.813   3.210
  536   1HB   TYR  65           HB2      TYR  65  54.239  -4.585   3.137
  537   2HB   TYR  65           HB1      TYR  65  52.546  -4.980   2.968
  538    HD1  TYR  65           HD2      TYR  65  54.865  -6.016   5.709
  539    HD2  TYR  65           HD1      TYR  65  51.482  -3.623   4.578
  540    HE1  TYR  65           HE2      TYR  65  54.441  -5.488   8.093
  541    HE2  TYR  65           HE1      TYR  65  51.058  -3.096   6.964
  542    HH   TYR  65           HH       TYR  65  51.710  -3.404   9.057
  543    H    ASP  66           HN       ASP  66  51.418  -6.850   4.213
  544    HA   ASP  66           HA       ASP  66  51.635  -7.828   6.803
  545   1HB   ASP  66           HB2      ASP  66  49.363  -8.154   6.590
  546   2HB   ASP  66           HB1      ASP  66  49.632  -7.260   5.098
  547    H    GLN  67           HN       GLN  67  52.356  -9.587   3.867
  548    HA   GLN  67           HA       GLN  67  52.362 -12.194   5.292
  549   1HB   GLN  67           HB2      GLN  67  52.378 -11.189   2.482
  550   2HB   GLN  67           HB1      GLN  67  53.159 -12.742   2.775
  551   1HG   GLN  67           HG2      GLN  67  51.143 -13.650   3.749
  552   2HG   GLN  67           HG1      GLN  67  50.355 -12.074   3.707
  553   1HE2  GLN  67          HE22      GLN  67  51.128 -13.450  -0.068
  554   2HE2  GLN  67          HE21      GLN  67  52.391 -13.286   1.054
  555    H    TYR  68           HN       TYR  68  54.440  -9.632   4.937
  556    HA   TYR  68           HA       TYR  68  56.778  -9.408   5.194
  557   1HB   TYR  68           HB2      TYR  68  55.998 -12.050   6.383
  558   2HB   TYR  68           HB1      TYR  68  57.711 -11.614   6.314
  559    HD1  TYR  68           HD2      TYR  68  54.435  -9.967   7.147
  560    HD2  TYR  68           HD1      TYR  68  58.568 -10.521   8.181
  561    HE1  TYR  68           HE2      TYR  68  54.133  -8.512   9.132
  562    HE2  TYR  68           HE1      TYR  68  58.265  -9.064  10.167
  563    HH   TYR  68           HH       TYR  68  56.195  -8.413  11.664
  564    H    GLY  69           HN       GLY  69  55.592 -10.641   2.669
  565   1HA   GLY  69           HA2      GLY  69  56.826 -11.089   0.643
  566   2HA   GLY  69           HA1      GLY  69  58.159 -11.703   1.624
  567    H    HIS  70           HN       HIS  70  56.528 -12.956  -0.622
  568    HA   HIS  70           HA       HIS  70  54.797 -14.977   0.265
  569   1HB   HIS  70           HB2      HIS  70  55.411 -16.071  -1.814
  570   2HB   HIS  70           HB1      HIS  70  55.463 -14.328  -2.089
  571    HD1  HIS  70           HD1      HIS  70  57.479 -13.691  -3.382
  572    HD2  HIS  70           HD2      HIS  70  58.269 -16.888  -0.826
  573    HE1  HIS  70           HE1      HIS  70  59.922 -14.276  -3.701
  574    H    ALA  71           HN       ALA  71  58.215 -14.652   0.786
  575    HA   ALA  71           HA       ALA  71  59.185 -17.231   1.118
  576   1HB   ALA  71           HB1      ALA  71  60.064 -14.749   1.640
  577   2HB   ALA  71           HB3      ALA  71  59.688 -15.243   3.291
  578   3HB   ALA  71           HB2      ALA  71  60.844 -16.171   2.335
  579    H    ALA  72           HN       ALA  72  57.198 -15.379   3.441
  580    HA   ALA  72           HA       ALA  72  57.151 -17.240   5.573
  581   1HB   ALA  72           HB2      ALA  72  55.555 -14.986   4.537
  582   2HB   ALA  72           HB1      ALA  72  54.636 -16.112   5.536
  583   3HB   ALA  72           HB3      ALA  72  56.072 -15.325   6.188
  584    H    PHE  73           HN       PHE  73  55.786 -17.456   2.405
  585    HA   PHE  73           HA       PHE  73  53.938 -19.656   3.225
  586   1HB   PHE  73           HB2      PHE  73  54.177 -17.677   1.014
  587   2HB   PHE  73           HB1      PHE  73  53.502 -19.251   0.582
  588    HD1  PHE  73           HD2      PHE  73  53.107 -18.101   4.019
  589    HD2  PHE  73           HD1      PHE  73  51.314 -18.132   0.116
  590    HE1  PHE  73           HE2      PHE  73  50.930 -17.446   5.013
  591    HE2  PHE  73           HE1      PHE  73  49.138 -17.476   1.110
  592    HZ   PHE  73           HZ       PHE  73  48.947 -17.133   3.558
  593    H    GLU  74           HN       GLU  74  56.688 -18.932   1.085
  594    HA   GLU  74           HA       GLU  74  57.377 -21.821   1.041
  595   1HB   GLU  74           HB2      GLU  74  57.081 -20.194  -1.498
  596   2HB   GLU  74           HB1      GLU  74  57.288 -21.941  -1.355
  597   1HG   GLU  74           HG2      GLU  74  55.088 -22.023  -0.128
  598   2HG   GLU  74           HG1      GLU  74  54.872 -20.315  -0.515
  599    H    GLN  75           HN       GLN  75  59.433 -21.547   1.913
  600    HA   GLN  75           HA       GLN  75  61.164 -19.364   0.843
  601   1HB   GLN  75           HB2      GLN  75  60.812 -20.854   3.351
  602   2HB   GLN  75           HB1      GLN  75  62.504 -20.665   2.889
  603   1HG   GLN  75           HG2      GLN  75  62.068 -18.210   2.557
  604   2HG   GLN  75           HG1      GLN  75  60.455 -18.459   3.229
  605   1HE2  GLN  75          HE22      GLN  75  63.624 -18.177   5.723
  606   2HE2  GLN  75          HE21      GLN  75  63.779 -17.951   4.048
  607    H    GLY  76           HN       GLY  76  63.480 -19.982   0.404
  608   1HA   GLY  76           HA2      GLY  76  63.622 -22.724  -0.784
  609   2HA   GLY  76           HA1      GLY  76  64.461 -21.324  -1.455
  610    H    GLY  77           HN       GLY  77  64.675 -20.969   1.813
  611   1HA   GLY  77           HA2      GLY  77  66.386 -22.718   2.978
  612   2HA   GLY  77           HA1      GLY  77  67.457 -21.933   1.817
   
  No H/Q in entry =         612
  Start of MODEL    3
    1   1H    ALA   1           HT3      ALA   1  68.158 -11.434   8.109
    2   2H    ALA   1           HT2      ALA   1  66.989 -10.264   8.494
    3   3H    ALA   1           HT1      ALA   1  66.595 -11.916   8.555
    4    HA   ALA   1           HA       ALA   1  66.552 -12.137   6.246
    5   1HB   ALA   1           HB1      ALA   1  64.753 -10.757   7.379
    6   2HB   ALA   1           HB3      ALA   1  65.623  -9.316   6.853
    7   3HB   ALA   1           HB2      ALA   1  64.949 -10.423   5.658
    8    H    LYS   2           HN       LYS   2  66.425  -9.800   4.474
    9    HA   LYS   2           HA       LYS   2  68.965  -8.414   4.444
   10   1HB   LYS   2           HB2      LYS   2  69.791  -9.763   2.408
   11   2HB   LYS   2           HB1      LYS   2  69.912 -10.551   3.982
   12   1HG   LYS   2           HG2      LYS   2  67.863 -11.795   3.575
   13   2HG   LYS   2           HG1      LYS   2  67.591 -10.923   2.066
   14   1HD   LYS   2           HD2      LYS   2  70.195 -11.938   1.843
   15   2HD   LYS   2           HD1      LYS   2  69.261 -13.250   2.562
   16   1HE   LYS   2           HE2      LYS   2  68.423 -11.722   0.070
   17   2HE   LYS   2           HE1      LYS   2  69.189 -13.324   0.066
   18   1HZ   LYS   2           HZ2      LYS   2  67.413 -14.083   1.578
   19   2HZ   LYS   2           HZ1      LYS   2  66.640 -12.580   1.402
   20   3HZ   LYS   2           HZ3      LYS   2  66.814 -13.605   0.063
   21    H    GLN   3           HN       GLN   3  68.595  -6.620   3.198
   22    HA   GLN   3           HA       GLN   3  67.585  -5.194   1.606
   23   1HB   GLN   3           HB2      GLN   3  67.938  -7.883   0.404
   24   2HB   GLN   3           HB1      GLN   3  66.823  -6.817  -0.452
   25   1HG   GLN   3           HG2      GLN   3  69.074  -5.244   0.286
   26   2HG   GLN   3           HG1      GLN   3  69.694  -6.737  -0.420
   27   1HE2  GLN   3          HE22      GLN   3  67.032  -4.783  -2.860
   28   2HE2  GLN   3          HE21      GLN   3  66.617  -5.086  -1.242
   29    H    ASP   4           HN       ASP   4  65.843  -5.494   3.575
   30    HA   ASP   4           HA       ASP   4  63.273  -6.472   2.381
   31   1HB   ASP   4           HB2      ASP   4  63.044  -5.793   5.158
   32   2HB   ASP   4           HB1      ASP   4  62.923  -7.386   4.421
   33    H    TYR   5           HN       TYR   5  62.672  -4.762   1.235
   34    HA   TYR   5           HA       TYR   5  62.777  -2.082   1.465
   35   1HB   TYR   5           HB2      TYR   5  60.000  -2.659   1.115
   36   2HB   TYR   5           HB1      TYR   5  61.204  -2.261  -0.094
   37    HD1  TYR   5           HD2      TYR   5  59.998  -5.147   1.938
   38    HD2  TYR   5           HD1      TYR   5  61.850  -3.799  -1.687
   39    HE1  TYR   5           HE2      TYR   5  59.968  -7.472   1.063
   40    HE2  TYR   5           HE1      TYR   5  61.834  -6.121  -2.566
   41    HH   TYR   5           HH       TYR   5  61.719  -8.656  -1.044
   42    H    TYR   6           HN       TYR   6  59.993  -3.668   3.143
   43    HA   TYR   6           HA       TYR   6  59.254  -1.451   4.681
   44   1HB   TYR   6           HB2      TYR   6  59.274  -4.402   5.393
   45   2HB   TYR   6           HB1      TYR   6  58.307  -3.172   6.215
   46    HD1  TYR   6           HD2      TYR   6  56.565  -1.906   4.975
   47    HD2  TYR   6           HD1      TYR   6  58.663  -5.204   3.205
   48    HE1  TYR   6           HE2      TYR   6  54.857  -2.026   3.182
   49    HE2  TYR   6           HE1      TYR   6  56.965  -5.317   1.404
   50    HH   TYR   6           HH       TYR   6  55.023  -4.542   0.666
   51    H    GLU   7           HN       GLU   7  62.010  -3.549   4.999
   52    HA   GLU   7           HA       GLU   7  62.808  -2.376   7.611
   53   1HB   GLU   7           HB2      GLU   7  63.081  -4.825   6.975
   54   2HB   GLU   7           HB1      GLU   7  64.261  -4.311   5.770
   55   1HG   GLU   7           HG2      GLU   7  65.625  -4.801   7.602
   56   2HG   GLU   7           HG1      GLU   7  65.383  -3.064   7.778
   57    H    ILE   8           HN       ILE   8  63.477  -2.277   4.172
   58    HA   ILE   8           HA       ILE   8  65.911  -0.953   3.990
   59    HB   ILE   8           HB       ILE   8  63.334  -0.737   2.438
   60   1HG1  ILE   8          HG12      ILE   8  64.714  -2.878   2.471
   61   2HG1  ILE   8          HG11      ILE   8  64.513  -2.178   0.868
   62   1HG2  ILE   8          HG21      ILE   8  65.473   1.112   2.360
   63   2HG2  ILE   8          HG23      ILE   8  65.627   0.098   0.927
   64   3HG2  ILE   8          HG22      ILE   8  64.123   0.967   1.234
   65   1HD1  ILE   8          HD11      ILE   8  66.867  -1.245   2.415
   66   2HD1  ILE   8          HD13      ILE   8  66.916  -2.917   1.854
   67   3HD1  ILE   8          HD12      ILE   8  66.718  -1.603   0.694
   68    H    LEU   9           HN       LEU   9  62.718   0.548   4.015
   69    HA   LEU   9           HA       LEU   9  63.862   3.184   4.782
   70   1HB   LEU   9           HB2      LEU   9  61.030   2.272   4.210
   71   2HB   LEU   9           HB1      LEU   9  61.618   3.939   4.213
   72    HG   LEU   9           HG       LEU   9  63.325   2.418   2.518
   73   1HD1  LEU   9          HD13      LEU   9  60.628   1.416   2.543
   74   2HD1  LEU   9          HD12      LEU   9  60.944   2.194   0.991
   75   3HD1  LEU   9          HD11      LEU   9  61.989   0.889   1.553
   76   1HD2  LEU   9          HD22      LEU   9  62.538   4.895   2.515
   77   2HD2  LEU   9          HD21      LEU   9  62.789   4.107   0.957
   78   3HD2  LEU   9          HD23      LEU   9  61.156   4.302   1.594
   79    H    GLY  10           HN       GLY  10  63.806   0.879   6.766
   80   1HA   GLY  10           HA2      GLY  10  63.051   0.455   8.969
   81   2HA   GLY  10           HA1      GLY  10  63.083   2.218   9.122
   82    H    VAL  11           HN       VAL  11  61.137   0.668   6.725
   83    HA   VAL  11           HA       VAL  11  58.673   1.847   7.831
   84    HB   VAL  11           HB       VAL  11  59.616   0.478   5.321
   85   1HG1  VAL  11          HG12      VAL  11  56.998   0.119   6.248
   86   2HG1  VAL  11          HG11      VAL  11  56.891   1.430   5.079
   87   3HG1  VAL  11          HG13      VAL  11  57.578  -0.119   4.606
   88   1HG2  VAL  11          HG21      VAL  11  59.874   2.974   5.889
   89   2HG2  VAL  11          HG23      VAL  11  59.216   2.550   4.312
   90   3HG2  VAL  11          HG22      VAL  11  58.136   3.072   5.600
   91    H    SER  12           HN       SER  12  57.673   0.578   9.438
   92    HA   SER  12           HA       SER  12  57.885  -2.152   9.923
   93   1HB   SER  12           HB2      SER  12  55.336  -0.510   9.886
   94   2HB   SER  12           HB1      SER  12  55.620  -1.956  10.851
   95    HG   SER  12           HG       SER  12  56.009  -0.181  12.136
   96    H    LYS  13           HN       LYS  13  56.968  -4.038   8.907
   97    HA   LYS  13           HA       LYS  13  56.747  -4.149   6.174
   98   1HB   LYS  13           HB2      LYS  13  55.401  -6.174   6.528
   99   2HB   LYS  13           HB1      LYS  13  56.734  -6.069   7.679
  100   1HG   LYS  13           HG2      LYS  13  54.540  -4.678   8.833
  101   2HG   LYS  13           HG1      LYS  13  53.912  -6.211   8.227
  102   1HD   LYS  13           HD2      LYS  13  55.308  -7.481   9.595
  103   2HD   LYS  13           HD1      LYS  13  56.491  -6.183   9.761
  104   1HE   LYS  13           HE2      LYS  13  54.638  -4.892  11.021
  105   2HE   LYS  13           HE1      LYS  13  53.819  -6.463  11.145
  106   1HZ   LYS  13           HZ2      LYS  13  56.233  -7.227  11.792
  107   2HZ   LYS  13           HZ1      LYS  13  56.379  -5.608  12.289
  108   3HZ   LYS  13           HZ3      LYS  13  55.174  -6.594  12.960
  109    H    THR  14           HN       THR  14  54.428  -2.763   8.346
  110    HA   THR  14           HA       THR  14  52.635  -2.250   6.012
  111    HB   THR  14           HB       THR  14  50.793  -2.567   7.470
  112    HG1  THR  14           HG1      THR  14  51.214  -2.760   9.776
  113   1HG2  THR  14          HG23      THR  14  52.569  -4.576   7.090
  114   2HG2  THR  14          HG22      THR  14  52.543  -4.526   8.853
  115   3HG2  THR  14          HG21      THR  14  51.047  -4.789   7.957
  116    H    ALA  15           HN       ALA  15  54.995  -0.621   7.225
  117    HA   ALA  15           HA       ALA  15  54.006   1.608   8.685
  118   1HB   ALA  15           HB3      ALA  15  56.376   0.747   7.793
  119   2HB   ALA  15           HB2      ALA  15  56.074   2.012   6.608
  120   3HB   ALA  15           HB1      ALA  15  56.116   2.402   8.326
  121    H    GLU  16           HN       GLU  16  55.015   3.556   6.594
  122    HA   GLU  16           HA       GLU  16  52.795   3.595   4.651
  123   1HB   GLU  16           HB2      GLU  16  52.913   5.042   7.138
  124   2HB   GLU  16           HB1      GLU  16  52.990   6.195   5.800
  125   1HG   GLU  16           HG2      GLU  16  50.936   5.479   4.909
  126   2HG   GLU  16           HG1      GLU  16  50.984   3.951   5.789
  127    H    GLU  17           HN       GLU  17  53.307   6.349   3.978
  128    HA   GLU  17           HA       GLU  17  55.783   5.989   2.419
  129   1HB   GLU  17           HB2      GLU  17  54.930   7.893   1.178
  130   2HB   GLU  17           HB1      GLU  17  53.593   6.784   1.487
  131   1HG   GLU  17           HG2      GLU  17  53.224   8.216   3.636
  132   2HG   GLU  17           HG1      GLU  17  54.190   9.427   2.789
  133    H    ARG  18           HN       ARG  18  54.687   7.860   5.192
  134    HA   ARG  18           HA       ARG  18  56.611   9.973   5.088
  135   1HB   ARG  18           HB2      ARG  18  56.097  10.014   7.599
  136   2HB   ARG  18           HB1      ARG  18  54.699  10.115   6.528
  137   1HG   ARG  18           HG2      ARG  18  53.857   8.191   7.335
  138   2HG   ARG  18           HG1      ARG  18  55.382   7.351   7.049
  139   1HD   ARG  18           HD2      ARG  18  54.823   7.321   9.460
  140   2HD   ARG  18           HD1      ARG  18  56.272   8.309   9.185
  141    HE   ARG  18           HE       ARG  18  53.696   9.749   9.074
  142   1HH1  ARG  18          HH11      ARG  18  56.872   9.912  10.032
  143   2HH1  ARG  18          HH12      ARG  18  56.579  10.704  11.543
  144   1HH2  ARG  18          HH21      ARG  18  53.135  10.310  11.383
  145   2HH2  ARG  18          HH22      ARG  18  54.461  10.934  12.307
  146    H    GLU  19           HN       GLU  19  56.891   6.651   6.190
  147    HA   GLU  19           HA       GLU  19  59.536   7.113   7.388
  148   1HB   GLU  19           HB2      GLU  19  59.295   4.466   7.432
  149   2HB   GLU  19           HB1      GLU  19  58.440   5.456   8.602
  150   1HG   GLU  19           HG2      GLU  19  57.084   4.848   6.006
  151   2HG   GLU  19           HG1      GLU  19  57.201   3.561   7.203
  152    H    ILE  20           HN       ILE  20  58.006   6.228   4.455
  153    HA   ILE  20           HA       ILE  20  60.220   4.856   3.179
  154    HB   ILE  20           HB       ILE  20  57.625   6.190   2.381
  155   1HG1  ILE  20          HG12      ILE  20  57.585   3.958   3.486
  156   2HG1  ILE  20          HG11      ILE  20  56.969   3.894   1.835
  157   1HG2  ILE  20          HG23      ILE  20  59.864   5.878   0.677
  158   2HG2  ILE  20          HG22      ILE  20  58.720   4.610   0.243
  159   3HG2  ILE  20          HG21      ILE  20  58.214   6.298   0.219
  160   1HD1  ILE  20          HD12      ILE  20  59.798   3.213   2.662
  161   2HD1  ILE  20          HD11      ILE  20  58.546   2.037   2.296
  162   3HD1  ILE  20          HD13      ILE  20  59.144   3.106   1.030
  163    H    ARG  21           HN       ARG  21  58.800   8.109   2.954
  164    HA   ARG  21           HA       ARG  21  60.973   9.183   1.345
  165   1HB   ARG  21           HB2      ARG  21  59.689  11.196   1.518
  166   2HB   ARG  21           HB1      ARG  21  58.489   9.904   1.555
  167   1HG   ARG  21           HG2      ARG  21  57.823  11.241   3.357
  168   2HG   ARG  21           HG1      ARG  21  58.825  10.026   4.153
  169   1HD   ARG  21           HD2      ARG  21  60.020  11.768   4.997
  170   2HD   ARG  21           HD1      ARG  21  60.648  11.999   3.354
  171    HE   ARG  21           HE       ARG  21  58.026  13.181   3.616
  172   1HH1  ARG  21          HH21      ARG  21  61.295  13.778   3.185
  173   2HH1  ARG  21          HH22      ARG  21  61.258  15.410   3.764
  174   1HH2  ARG  21          HH11      ARG  21  57.987  15.214   4.896
  175   2HH2  ARG  21          HH12      ARG  21  59.385  16.222   4.734
  176    H    LYS  22           HN       LYS  22  60.510   8.498   4.656
  177    HA   LYS  22           HA       LYS  22  62.387  10.540   5.638
  178   1HB   LYS  22           HB2      LYS  22  60.429  10.049   6.949
  179   2HB   LYS  22           HB1      LYS  22  60.740   8.316   6.863
  180   1HG   LYS  22           HG2      LYS  22  61.415   9.535   9.045
  181   2HG   LYS  22           HG1      LYS  22  62.603   8.455   8.317
  182   1HD   LYS  22           HD2      LYS  22  63.716  10.528   8.920
  183   2HD   LYS  22           HD1      LYS  22  63.621  10.437   7.163
  184   1HE   LYS  22           HE2      LYS  22  62.238  12.252   7.033
  185   2HE   LYS  22           HE1      LYS  22  61.284  11.734   8.437
  186   1HZ   LYS  22           HZ3      LYS  22  63.549  12.234   9.653
  187   2HZ   LYS  22           HZ2      LYS  22  63.757  13.301   8.347
  188   3HZ   LYS  22           HZ1      LYS  22  62.413  13.461   9.374
  189    H    ALA  23           HN       ALA  23  62.188   6.972   5.823
  190    HA   ALA  23           HA       ALA  23  64.859   6.625   6.794
  191   1HB   ALA  23           HB2      ALA  23  62.900   4.785   5.408
  192   2HB   ALA  23           HB1      ALA  23  64.359   4.241   6.236
  193   3HB   ALA  23           HB3      ALA  23  63.072   5.032   7.147
  194    H    TYR  24           HN       TYR  24  63.699   7.108   3.521
  195    HA   TYR  24           HA       TYR  24  66.107   5.864   2.354
  196   1HB   TYR  24           HB2      TYR  24  63.948   5.633   1.229
  197   2HB   TYR  24           HB1      TYR  24  63.713   7.377   1.239
  198    HD1  TYR  24           HD2      TYR  24  67.053   5.975   0.675
  199    HD2  TYR  24           HD1      TYR  24  63.496   7.462  -1.220
  200    HE1  TYR  24           HE2      TYR  24  68.280   6.176  -1.469
  201    HE2  TYR  24           HE1      TYR  24  64.725   7.666  -3.365
  202    HH   TYR  24           HH       TYR  24  66.712   7.532  -4.364
  203    H    LYS  25           HN       LYS  25  64.532   9.007   2.621
  204    HA   LYS  25           HA       LYS  25  66.717  10.552   1.567
  205   1HB   LYS  25           HB2      LYS  25  64.895  11.854   1.438
  206   2HB   LYS  25           HB1      LYS  25  64.029  10.780   2.513
  207   1HG   LYS  25           HG2      LYS  25  65.989  12.662   3.753
  208   2HG   LYS  25           HG1      LYS  25  64.469  13.328   3.160
  209   1HD   LYS  25           HD2      LYS  25  63.169  11.971   4.581
  210   2HD   LYS  25           HD1      LYS  25  64.503  10.859   4.877
  211   1HE   LYS  25           HE2      LYS  25  64.273  12.230   6.863
  212   2HE   LYS  25           HE1      LYS  25  65.720  12.803   6.010
  213   1HZ   LYS  25           HZ2      LYS  25  63.889  14.218   4.756
  214   2HZ   LYS  25           HZ1      LYS  25  63.089  14.054   6.247
  215   3HZ   LYS  25           HZ3      LYS  25  64.624  14.772   6.184
  216    H    ARG  26           HN       ARG  26  66.059   9.166   4.687
  217    HA   ARG  26           HA       ARG  26  67.644  11.001   6.276
  218   1HB   ARG  26           HB2      ARG  26  66.478   8.249   6.526
  219   2HB   ARG  26           HB1      ARG  26  67.660   8.777   7.725
  220   1HG   ARG  26           HG2      ARG  26  65.592  10.776   7.087
  221   2HG   ARG  26           HG1      ARG  26  64.983   9.310   7.854
  222   1HD   ARG  26           HD2      ARG  26  67.455  10.462   9.046
  223   2HD   ARG  26           HD1      ARG  26  65.955  11.378   9.299
  224    HE   ARG  26           HE       ARG  26  65.079   8.897   9.869
  225   1HH1  ARG  26          HH11      ARG  26  67.547   7.571  10.356
  226   2HH1  ARG  26          HH12      ARG  26  67.970   7.986  11.983
  227   1HH2  ARG  26          HH21      ARG  26  65.814  10.696  12.135
  228   2HH2  ARG  26          HH22      ARG  26  66.987   9.753  12.992
  229    H    LEU  27           HN       LEU  27  68.286   7.744   4.949
  230    HA   LEU  27           HA       LEU  27  71.144   7.858   5.571
  231   1HB   LEU  27           HB2      LEU  27  71.117   5.640   4.690
  232   2HB   LEU  27           HB1      LEU  27  69.539   5.836   5.451
  233    HG   LEU  27           HG       LEU  27  68.922   6.726   2.999
  234   1HD1  LEU  27          HD12      LEU  27  71.260   4.841   2.662
  235   2HD1  LEU  27          HD11      LEU  27  70.072   5.115   1.388
  236   3HD1  LEU  27          HD13      LEU  27  71.061   6.452   1.973
  237   1HD2  LEU  27          HD22      LEU  27  68.543   4.360   4.513
  238   2HD2  LEU  27          HD21      LEU  27  67.559   4.939   3.169
  239   3HD2  LEU  27          HD23      LEU  27  68.910   3.847   2.865
  240    H    ALA  28           HN       ALA  28  69.026   8.530   2.897
  241    HA   ALA  28           HA       ALA  28  71.042   8.604   0.825
  242   1HB   ALA  28           HB1      ALA  28  68.241   9.708   1.150
  243   2HB   ALA  28           HB3      ALA  28  69.106   9.664  -0.384
  244   3HB   ALA  28           HB2      ALA  28  68.677   8.161   0.433
  245    H    MET  29           HN       MET  29  69.447  11.062   2.884
  246    HA   MET  29           HA       MET  29  70.792  13.317   1.683
  247   1HB   MET  29           HB2      MET  29  69.966  14.504   3.607
  248   2HB   MET  29           HB1      MET  29  68.757  13.272   3.255
  249   1HG   MET  29           HG2      MET  29  68.987  12.714   5.444
  250   2HG   MET  29           HG1      MET  29  70.470  11.916   4.920
  251   1HE   MET  29           HE1      MET  29  68.762  14.326   6.969
  252   2HE   MET  29           HE3      MET  29  69.768  13.249   7.946
  253   3HE   MET  29           HE2      MET  29  70.036  14.990   7.988
  254    H    LYS  30           HN       LYS  30  71.658  10.845   3.954
  255    HA   LYS  30           HA       LYS  30  74.141  12.187   4.836
  256   1HB   LYS  30           HB2      LYS  30  72.762   9.535   5.339
  257   2HB   LYS  30           HB1      LYS  30  74.362   9.890   5.989
  258   1HG   LYS  30           HG2      LYS  30  73.569  11.552   7.412
  259   2HG   LYS  30           HG1      LYS  30  72.149  11.867   6.415
  260   1HD   LYS  30           HD2      LYS  30  71.077  10.643   8.020
  261   2HD   LYS  30           HD1      LYS  30  71.695   9.275   7.092
  262   1HE   LYS  30           HE2      LYS  30  73.070   8.651   8.788
  263   2HE   LYS  30           HE1      LYS  30  73.687  10.304   8.974
  264   1HZ   LYS  30           HZ2      LYS  30  70.950   9.593   9.828
  265   2HZ   LYS  30           HZ1      LYS  30  72.273   9.346  10.865
  266   3HZ   LYS  30           HZ3      LYS  30  71.907  10.908  10.317
  267    H    TYR  31           HN       TYR  31  73.015  10.019   2.374
  268    HA   TYR  31           HA       TYR  31  75.815   9.213   1.712
  269   1HB   TYR  31           HB2      TYR  31  73.088   8.052   1.396
  270   2HB   TYR  31           HB1      TYR  31  74.268   7.680   0.134
  271    HD1  TYR  31           HD1      TYR  31  76.793   7.571   1.557
  272    HD2  TYR  31           HD2      TYR  31  72.927   6.163   2.776
  273    HE1  TYR  31           HE1      TYR  31  77.870   5.927   3.058
  274    HE2  TYR  31           HE2      TYR  31  73.999   4.514   4.278
  275    HH   TYR  31           HH       TYR  31  77.324   4.631   5.066
  276    H    HIS  32           HN       HIS  32  73.825  11.587   1.019
  277    HA   HIS  32           HA       HIS  32  73.560  11.808  -1.779
  278   1HB   HIS  32           HB2      HIS  32  73.138  14.101  -1.125
  279   2HB   HIS  32           HB1      HIS  32  72.576  13.058   0.166
  280    HD1  HIS  32           HD1      HIS  32  75.508  12.420   1.336
  281    HD2  HIS  32           HD2      HIS  32  73.899  16.198   0.623
  282    HE1  HIS  32           HE1      HIS  32  76.748  14.027   2.842
  283    HA   PRO  33           HA       PRO  33  77.461  13.112  -3.291
  284   1HB   PRO  33           HB2      PRO  33  77.915  15.819  -3.273
  285   2HB   PRO  33           HB1      PRO  33  76.864  14.997  -4.445
  286   1HG   PRO  33           HG2      PRO  33  76.141  16.512  -1.996
  287   2HG   PRO  33           HG1      PRO  33  75.330  16.448  -3.567
  288   1HD   PRO  33           HD2      PRO  33  74.486  15.131  -1.385
  289   2HD   PRO  33           HD1      PRO  33  74.173  14.562  -3.035
  290    H    ASP  34           HN       ASP  34  77.582  12.292  -0.711
  291    HA   ASP  34           HA       ASP  34  79.662  13.970   0.633
  292   1HB   ASP  34           HB2      ASP  34  78.448  13.382   2.481
  293   2HB   ASP  34           HB1      ASP  34  77.358  12.449   1.465
  294    H    ARG  35           HN       ARG  35  78.808  10.753  -0.506
  295    HA   ARG  35           HA       ARG  35  81.683  10.096  -0.920
  296   1HB   ARG  35           HB2      ARG  35  81.183   7.872   0.108
  297   2HB   ARG  35           HB1      ARG  35  80.949   9.197   1.251
  298   1HG   ARG  35           HG2      ARG  35  78.992   7.899   1.517
  299   2HG   ARG  35           HG1      ARG  35  78.483   9.187   0.427
  300   1HD   ARG  35           HD2      ARG  35  77.920   7.652  -1.116
  301   2HD   ARG  35           HD1      ARG  35  79.597   7.074  -1.151
  302    HE   ARG  35           HE       ARG  35  77.406   5.902   0.433
  303   1HH1  ARG  35          HH11      ARG  35  80.398   6.639   1.517
  304   2HH1  ARG  35          HH12      ARG  35  80.994   5.018   1.638
  305   1HH2  ARG  35          HH21      ARG  35  78.340   3.624  -0.103
  306   2HH2  ARG  35          HH22      ARG  35  79.832   3.313   0.722
  307    H    ASN  36           HN       ASN  36  78.257   9.642  -1.710
  308    HA   ASN  36           HA       ASN  36  78.261   7.524  -3.503
  309   1HB   ASN  36           HB2      ASN  36  76.849  10.137  -3.205
  310   2HB   ASN  36           HB1      ASN  36  76.591   9.249  -4.706
  311   1HD2  ASN  36          HD21      ASN  36  74.313   9.326  -3.374
  312   2HD2  ASN  36          HD22      ASN  36  74.005   7.921  -2.472
  313    H    GLN  37           HN       GLN  37  79.732  10.684  -3.898
  314    HA   GLN  37           HA       GLN  37  80.045  10.567  -6.771
  315   1HB   GLN  37           HB2      GLN  37  81.766  12.028  -4.750
  316   2HB   GLN  37           HB1      GLN  37  81.417  12.507  -6.410
  317   1HG   GLN  37           HG2      GLN  37  78.936  12.153  -5.009
  318   2HG   GLN  37           HG1      GLN  37  79.981  13.216  -4.066
  319   1HE2  GLN  37          HE22      GLN  37  78.206  14.677  -7.341
  320   2HE2  GLN  37          HE21      GLN  37  77.764  13.209  -6.613
  321    H    GLY  38           HN       GLY  38  81.417   8.757  -4.284
  322   1HA   GLY  38           HA2      GLY  38  83.644   7.933  -6.090
  323   2HA   GLY  38           HA1      GLY  38  83.977   8.255  -4.387
  324    H    ASP  39           HN       ASP  39  80.922   6.869  -5.308
  325    HA   ASP  39           HA       ASP  39  81.873   4.168  -4.416
  326   1HB   ASP  39           HB2      ASP  39  79.671   5.933  -3.365
  327   2HB   ASP  39           HB1      ASP  39  79.560   4.181  -3.188
  328    H    LYS  40           HN       LYS  40  81.406   2.789  -6.072
  329    HA   LYS  40           HA       LYS  40  79.198   3.373  -7.948
  330   1HB   LYS  40           HB2      LYS  40  81.687   2.509  -8.340
  331   2HB   LYS  40           HB1      LYS  40  80.947   0.939  -8.033
  332   1HG   LYS  40           HG2      LYS  40  80.477   1.005 -10.266
  333   2HG   LYS  40           HG1      LYS  40  79.130   2.024  -9.754
  334   1HD   LYS  40           HD2      LYS  40  81.868   3.074 -10.524
  335   2HD   LYS  40           HD1      LYS  40  80.474   3.042 -11.604
  336   1HE   LYS  40           HE2      LYS  40  79.284   4.308  -9.598
  337   2HE   LYS  40           HE1      LYS  40  80.953   4.756  -9.190
  338   1HZ   LYS  40           HZ1      LYS  40  79.783   5.005 -11.909
  339   2HZ   LYS  40           HZ3      LYS  40  79.879   6.289 -10.804
  340   3HZ   LYS  40           HZ2      LYS  40  81.301   5.567 -11.391
  341    H    GLU  41           HN       GLU  41  79.258   0.232  -8.158
  342    HA   GLU  41           HA       GLU  41  77.227  -1.098  -7.607
  343   1HB   GLU  41           HB2      GLU  41  78.464  -2.254  -5.476
  344   2HB   GLU  41           HB1      GLU  41  78.967  -2.503  -7.148
  345   1HG   GLU  41           HG2      GLU  41  80.585  -0.649  -6.945
  346   2HG   GLU  41           HG1      GLU  41  80.086  -0.387  -5.278
  347    H    ALA  42           HN       ALA  42  78.569   0.120  -4.496
  348    HA   ALA  42           HA       ALA  42  76.316  -0.276  -2.881
  349   1HB   ALA  42           HB3      ALA  42  78.770   0.789  -2.584
  350   2HB   ALA  42           HB2      ALA  42  77.837   2.285  -2.632
  351   3HB   ALA  42           HB1      ALA  42  77.489   1.067  -1.404
  352    H    GLU  43           HN       GLU  43  76.786   2.016  -5.460
  353    HA   GLU  43           HA       GLU  43  75.007   4.109  -4.913
  354   1HB   GLU  43           HB2      GLU  43  76.400   3.716  -6.974
  355   2HB   GLU  43           HB1      GLU  43  75.197   2.532  -7.489
  356   1HG   GLU  43           HG2      GLU  43  73.948   4.181  -8.350
  357   2HG   GLU  43           HG1      GLU  43  73.786   4.880  -6.740
  358    H    ALA  44           HN       ALA  44  74.239   1.000  -6.432
  359    HA   ALA  44           HA       ALA  44  71.551   1.388  -6.873
  360   1HB   ALA  44           HB1      ALA  44  73.295  -0.976  -6.291
  361   2HB   ALA  44           HB3      ALA  44  71.557  -1.230  -6.445
  362   3HB   ALA  44           HB2      ALA  44  72.470  -0.546  -7.790
  363    H    LYS  45           HN       LYS  45  72.941  -0.151  -3.941
  364    HA   LYS  45           HA       LYS  45  70.610  -0.622  -2.505
  365   1HB   LYS  45           HB2      LYS  45  72.734  -1.206  -1.573
  366   2HB   LYS  45           HB1      LYS  45  73.305   0.467  -1.650
  367   1HG   LYS  45           HG2      LYS  45  71.731   1.151   0.057
  368   2HG   LYS  45           HG1      LYS  45  70.945  -0.428   0.033
  369   1HD   LYS  45           HD2      LYS  45  73.828  -0.621   0.507
  370   2HD   LYS  45           HD1      LYS  45  73.000   0.327   1.743
  371   1HE   LYS  45           HE2      LYS  45  71.254  -1.656   1.682
  372   2HE   LYS  45           HE1      LYS  45  72.625  -2.565   1.015
  373   1HZ   LYS  45           HZ2      LYS  45  73.022  -0.810   3.348
  374   2HZ   LYS  45           HZ1      LYS  45  72.376  -2.366   3.574
  375   3HZ   LYS  45           HZ3      LYS  45  73.908  -2.180   2.874
  376    H    PHE  46           HN       PHE  46  72.035   2.473  -3.342
  377    HA   PHE  46           HA       PHE  46  70.515   4.045  -1.422
  378   1HB   PHE  46           HB2      PHE  46  71.805   4.841  -4.052
  379   2HB   PHE  46           HB1      PHE  46  71.406   5.915  -2.714
  380    HD1  PHE  46           HD2      PHE  46  72.199   3.562  -0.664
  381    HD2  PHE  46           HD1      PHE  46  74.186   5.612  -3.873
  382    HE1  PHE  46           HE2      PHE  46  74.394   3.077   0.386
  383    HE2  PHE  46           HE1      PHE  46  76.381   5.129  -2.823
  384    HZ   PHE  46           HZ       PHE  46  76.484   3.861  -0.694
  385    H    LYS  47           HN       LYS  47  70.154   3.484  -4.967
  386    HA   LYS  47           HA       LYS  47  67.476   4.742  -4.843
  387   1HB   LYS  47           HB2      LYS  47  67.847   5.067  -7.073
  388   2HB   LYS  47           HB1      LYS  47  69.498   4.569  -6.723
  389   1HG   LYS  47           HG2      LYS  47  67.264   2.700  -7.567
  390   2HG   LYS  47           HG1      LYS  47  68.532   3.309  -8.632
  391   1HD   LYS  47           HD2      LYS  47  70.000   2.338  -6.528
  392   2HD   LYS  47           HD1      LYS  47  68.657   1.196  -6.586
  393   1HE   LYS  47           HE2      LYS  47  70.246   0.278  -8.108
  394   2HE   LYS  47           HE1      LYS  47  69.092   1.123  -9.156
  395   1HZ   LYS  47           HZ2      LYS  47  70.963   2.989  -8.217
  396   2HZ   LYS  47           HZ1      LYS  47  71.825   1.657  -8.826
  397   3HZ   LYS  47           HZ3      LYS  47  70.713   2.468  -9.814
  398    H    GLU  48           HN       GLU  48  68.830   1.706  -4.332
  399    HA   GLU  48           HA       GLU  48  66.791  -0.054  -5.367
  400   1HB   GLU  48           HB2      GLU  48  68.981  -0.095  -3.296
  401   2HB   GLU  48           HB1      GLU  48  67.837  -1.433  -3.353
  402   1HG   GLU  48           HG2      GLU  48  68.961  -0.594  -5.961
  403   2HG   GLU  48           HG1      GLU  48  70.104  -1.337  -4.843
  404    H    ILE  49           HN       ILE  49  67.370   1.784  -2.493
  405    HA   ILE  49           HA       ILE  49  65.339   0.838  -0.741
  406    HB   ILE  49           HB       ILE  49  66.614   3.523  -1.266
  407   1HG1  ILE  49          HG12      ILE  49  67.127   1.964   1.190
  408   2HG1  ILE  49          HG11      ILE  49  67.713   1.246  -0.310
  409   1HG2  ILE  49          HG23      ILE  49  64.750   2.673   0.945
  410   2HG2  ILE  49          HG22      ILE  49  65.839   4.050   1.095
  411   3HG2  ILE  49          HG21      ILE  49  64.583   4.050  -0.143
  412   1HD1  ILE  49          HD12      ILE  49  68.794   3.470  -0.842
  413   2HD1  ILE  49          HD11      ILE  49  68.386   3.983   0.795
  414   3HD1  ILE  49          HD13      ILE  49  69.489   2.629   0.544
  415    H    LYS  50           HN       LYS  50  65.350   3.521  -3.045
  416    HA   LYS  50           HA       LYS  50  62.711   4.452  -2.794
  417   1HB   LYS  50           HB2      LYS  50  64.239   5.609  -4.204
  418   2HB   LYS  50           HB1      LYS  50  64.614   4.155  -5.130
  419   1HG   LYS  50           HG2      LYS  50  63.073   5.806  -6.298
  420   2HG   LYS  50           HG1      LYS  50  62.451   4.160  -6.173
  421   1HD   LYS  50           HD2      LYS  50  60.816   4.743  -4.674
  422   2HD   LYS  50           HD1      LYS  50  61.812   5.986  -3.916
  423   1HE   LYS  50           HE2      LYS  50  59.966   7.058  -5.131
  424   2HE   LYS  50           HE1      LYS  50  61.490   7.411  -5.971
  425   1HZ   LYS  50           HZ1      LYS  50  60.824   5.043  -7.029
  426   2HZ   LYS  50           HZ3      LYS  50  59.286   5.717  -6.793
  427   3HZ   LYS  50           HZ2      LYS  50  60.435   6.538  -7.737
  428    H    GLU  51           HN       GLU  51  63.927   1.753  -4.792
  429    HA   GLU  51           HA       GLU  51  61.602   0.972  -6.144
  430   1HB   GLU  51           HB2      GLU  51  64.082   0.085  -6.008
  431   2HB   GLU  51           HB1      GLU  51  63.407  -1.032  -4.821
  432   1HG   GLU  51           HG2      GLU  51  63.253  -2.149  -6.930
  433   2HG   GLU  51           HG1      GLU  51  61.621  -1.593  -6.557
  434    H    ALA  52           HN       ALA  52  62.553   0.298  -2.785
  435    HA   ALA  52           HA       ALA  52  60.701  -1.576  -1.906
  436   1HB   ALA  52           HB1      ALA  52  62.450  -0.397  -0.590
  437   2HB   ALA  52           HB3      ALA  52  61.446   1.051  -0.595
  438   3HB   ALA  52           HB2      ALA  52  60.891  -0.402   0.236
  439    H    TYR  53           HN       TYR  53  60.089   1.674  -3.015
  440    HA   TYR  53           HA       TYR  53  57.545   2.171  -1.862
  441   1HB   TYR  53           HB2      TYR  53  58.769   2.916  -4.536
  442   2HB   TYR  53           HB1      TYR  53  57.322   3.662  -3.879
  443    HD1  TYR  53           HD1      TYR  53  59.934   2.724  -1.474
  444    HD2  TYR  53           HD2      TYR  53  58.489   5.832  -4.064
  445    HE1  TYR  53           HE1      TYR  53  61.339   4.354  -0.296
  446    HE2  TYR  53           HE2      TYR  53  59.893   7.473  -2.864
  447    HH   TYR  53           HH       TYR  53  61.099   7.805  -0.933
  448    H    GLU  54           HN       GLU  54  58.376   0.801  -5.041
  449    HA   GLU  54           HA       GLU  54  55.876   0.298  -6.143
  450   1HB   GLU  54           HB2      GLU  54  58.054  -1.804  -6.099
  451   2HB   GLU  54           HB1      GLU  54  56.960  -1.396  -7.422
  452   1HG   GLU  54           HG2      GLU  54  58.249   0.994  -6.899
  453   2HG   GLU  54           HG1      GLU  54  59.522  -0.207  -6.694
  454    H    VAL  55           HN       VAL  55  57.456  -1.225  -3.460
  455    HA   VAL  55           HA       VAL  55  55.434  -3.331  -3.283
  456    HB   VAL  55           HB       VAL  55  58.154  -2.899  -2.570
  457   1HG1  VAL  55          HG12      VAL  55  56.317  -3.354  -0.229
  458   2HG1  VAL  55          HG11      VAL  55  57.982  -3.925  -0.225
  459   3HG1  VAL  55          HG13      VAL  55  57.644  -2.203  -0.370
  460   1HG2  VAL  55          HG23      VAL  55  56.265  -5.042  -2.946
  461   2HG2  VAL  55          HG22      VAL  55  58.015  -5.049  -3.165
  462   3HG2  VAL  55          HG21      VAL  55  57.323  -5.386  -1.577
  463    H    LEU  56           HN       LEU  56  56.708  -0.811  -1.055
  464    HA   LEU  56           HA       LEU  56  54.349  -1.157   0.633
  465   1HB   LEU  56           HB2      LEU  56  55.878  -0.492   2.125
  466   2HB   LEU  56           HB1      LEU  56  57.022  -0.228   0.817
  467    HG   LEU  56           HG       LEU  56  56.774   1.779   2.190
  468   1HD1  LEU  56          HD11      LEU  56  56.360   1.568  -0.630
  469   2HD1  LEU  56          HD13      LEU  56  55.443   2.942  -0.018
  470   3HD1  LEU  56          HD12      LEU  56  57.180   2.849   0.264
  471   1HD2  LEU  56          HD23      LEU  56  54.058   1.009   2.194
  472   2HD2  LEU  56          HD22      LEU  56  54.774   2.408   2.993
  473   3HD2  LEU  56          HD21      LEU  56  54.129   2.559   1.358
  474    H    THR  57           HN       THR  57  55.162   1.075  -1.996
  475    HA   THR  57           HA       THR  57  53.019   2.959  -1.164
  476    HB   THR  57           HB       THR  57  53.652   4.130  -3.281
  477    HG1  THR  57           HG1      THR  57  55.580   3.247  -4.307
  478   1HG2  THR  57          HG22      THR  57  54.933   4.381  -1.050
  479   2HG2  THR  57          HG21      THR  57  56.195   3.429  -1.830
  480   3HG2  THR  57          HG23      THR  57  55.709   4.977  -2.516
  481    H    ASP  58           HN       ASP  58  52.543   0.043  -1.959
  482    HA   ASP  58           HA       ASP  58  50.325   0.589  -3.858
  483   1HB   ASP  58           HB2      ASP  58  52.812  -0.712  -4.456
  484   2HB   ASP  58           HB1      ASP  58  51.528  -1.926  -4.503
  485    H    SER  59           HN       SER  59  48.584  -0.073  -2.892
  486    HA   SER  59           HA       SER  59  48.399  -1.490  -0.546
  487   1HB   SER  59           HB2      SER  59  46.086  -1.526  -1.002
  488   2HB   SER  59           HB1      SER  59  46.675  -0.194  -1.992
  489    HG   SER  59           HG       SER  59  45.299  -2.108  -2.885
  490    H    GLN  60           HN       GLN  60  48.269  -2.884  -3.843
  491    HA   GLN  60           HA       GLN  60  47.700  -5.561  -3.085
  492   1HB   GLN  60           HB2      GLN  60  48.769  -6.072  -5.312
  493   2HB   GLN  60           HB1      GLN  60  47.563  -4.791  -5.369
  494   1HG   GLN  60           HG2      GLN  60  50.264  -3.798  -4.798
  495   2HG   GLN  60           HG1      GLN  60  50.135  -4.600  -6.360
  496   1HE2  GLN  60          HE22      GLN  60  49.112  -1.283  -7.325
  497   2HE2  GLN  60          HE21      GLN  60  50.484  -2.271  -7.168
  498    H    LYS  61           HN       LYS  61  50.779  -3.819  -3.094
  499    HA   LYS  61           HA       LYS  61  52.416  -6.197  -2.635
  500   1HB   LYS  61           HB2      LYS  61  52.723  -3.232  -2.750
  501   2HB   LYS  61           HB1      LYS  61  54.011  -4.196  -2.032
  502   1HG   LYS  61           HG2      LYS  61  54.078  -3.666  -4.586
  503   2HG   LYS  61           HG1      LYS  61  54.507  -5.275  -4.022
  504   1HD   LYS  61           HD2      LYS  61  51.942  -5.785  -4.403
  505   2HD   LYS  61           HD1      LYS  61  52.017  -4.367  -5.446
  506   1HE   LYS  61           HE2      LYS  61  53.694  -6.888  -5.679
  507   2HE   LYS  61           HE1      LYS  61  52.473  -6.306  -6.826
  508   1HZ   LYS  61           HZ3      LYS  61  54.108  -4.154  -6.428
  509   2HZ   LYS  61           HZ2      LYS  61  55.191  -5.462  -6.493
  510   3HZ   LYS  61           HZ1      LYS  61  54.124  -5.175  -7.783
  511    H    ARG  62           HN       ARG  62  51.976  -3.303  -0.598
  512    HA   ARG  62           HA       ARG  62  52.973  -4.264   1.790
  513   1HB   ARG  62           HB2      ARG  62  51.333  -2.644   2.816
  514   2HB   ARG  62           HB1      ARG  62  52.213  -1.981   1.436
  515   1HG   ARG  62           HG2      ARG  62  50.364  -2.035   0.051
  516   2HG   ARG  62           HG1      ARG  62  49.635  -3.392   0.906
  517   1HD   ARG  62           HD2      ARG  62  48.287  -1.499   1.484
  518   2HD   ARG  62           HD1      ARG  62  49.341  -1.752   2.889
  519    HE   ARG  62           HE       ARG  62  50.714  -0.064   1.057
  520   1HH1  ARG  62          HH21      ARG  62  48.882  -0.075   3.870
  521   2HH1  ARG  62          HH22      ARG  62  48.501   1.614   3.837
  522   1HH2  ARG  62          HH11      ARG  62  49.825   2.125   0.675
  523   2HH2  ARG  62          HH12      ARG  62  49.033   2.858   2.029
  524    H    ALA  63           HN       ALA  63  49.888  -5.124   0.311
  525    HA   ALA  63           HA       ALA  63  48.796  -6.384   2.714
  526   1HB   ALA  63           HB1      ALA  63  47.978  -5.690   0.068
  527   2HB   ALA  63           HB3      ALA  63  47.716  -7.421   0.256
  528   3HB   ALA  63           HB2      ALA  63  46.966  -6.287   1.379
  529    H    ALA  64           HN       ALA  64  50.863  -7.252   0.071
  530    HA   ALA  64           HA       ALA  64  50.750 -10.150   0.637
  531   1HB   ALA  64           HB1      ALA  64  52.271  -8.371  -1.294
  532   2HB   ALA  64           HB3      ALA  64  52.403 -10.129  -1.279
  533   3HB   ALA  64           HB2      ALA  64  50.860  -9.363  -1.661
  534    H    TYR  65           HN       TYR  65  53.138  -7.482   0.755
  535    HA   TYR  65           HA       TYR  65  55.241  -9.087   1.901
  536   1HB   TYR  65           HB2      TYR  65  54.637  -6.136   1.659
  537   2HB   TYR  65           HB1      TYR  65  56.131  -6.738   2.392
  538    HD1  TYR  65           HD1      TYR  65  54.149  -6.571  -0.728
  539    HD2  TYR  65           HD2      TYR  65  57.846  -7.809   1.071
  540    HE1  TYR  65           HE1      TYR  65  55.112  -6.958  -2.979
  541    HE2  TYR  65           HE2      TYR  65  58.811  -8.194  -1.180
  542    HH   TYR  65           HH       TYR  65  57.683  -8.761  -3.592
  543    H    ASP  66           HN       ASP  66  52.474  -7.450   3.280
  544    HA   ASP  66           HA       ASP  66  53.343  -6.965   5.923
  545   1HB   ASP  66           HB2      ASP  66  50.933  -7.284   6.469
  546   2HB   ASP  66           HB1      ASP  66  51.149  -6.329   5.005
  547    H    GLN  67           HN       GLN  67  52.507  -9.991   4.308
  548    HA   GLN  67           HA       GLN  67  53.247 -11.467   6.819
  549   1HB   GLN  67           HB2      GLN  67  51.021 -11.667   4.880
  550   2HB   GLN  67           HB1      GLN  67  51.752 -13.212   5.319
  551   1HG   GLN  67           HG2      GLN  67  51.367 -12.814   7.665
  552   2HG   GLN  67           HG1      GLN  67  50.867 -11.151   7.355
  553   1HE2  GLN  67          HE22      GLN  67  48.102 -14.033   7.236
  554   2HE2  GLN  67          HE21      GLN  67  49.645 -14.236   7.912
  555    H    TYR  68           HN       TYR  68  54.713 -10.524   4.197
  556    HA   TYR  68           HA       TYR  68  56.376 -11.421   2.772
  557   1HB   TYR  68           HB2      TYR  68  56.298 -13.107   5.257
  558   2HB   TYR  68           HB1      TYR  68  57.364 -13.590   3.934
  559    HD1  TYR  68           HD1      TYR  68  56.416 -10.111   4.836
  560    HD2  TYR  68           HD2      TYR  68  59.493 -13.101   4.891
  561    HE1  TYR  68           HE1      TYR  68  58.066  -8.397   5.537
  562    HE2  TYR  68           HE2      TYR  68  61.146 -11.391   5.594
  563    HH   TYR  68           HH       TYR  68  60.800  -8.950   6.941
  564    H    GLY  69           HN       GLY  69  53.467 -12.357   2.575
  565   1HA   GLY  69           HA2      GLY  69  52.637 -13.671   0.699
  566   2HA   GLY  69           HA1      GLY  69  54.032 -14.739   0.880
  567    H    HIS  70           HN       HIS  70  51.793 -16.137   0.807
  568    HA   HIS  70           HA       HIS  70  50.559 -16.371   3.466
  569   1HB   HIS  70           HB2      HIS  70  49.098 -17.906   2.350
  570   2HB   HIS  70           HB1      HIS  70  49.460 -16.652   1.159
  571    HD1  HIS  70           HD1      HIS  70  48.869 -19.936   0.859
  572    HD2  HIS  70           HD2      HIS  70  52.380 -17.817   0.108
  573    HE1  HIS  70           HE1      HIS  70  50.225 -21.345  -0.749
  574    H    ALA  71           HN       ALA  71  53.526 -17.145   2.575
  575    HA   ALA  71           HA       ALA  71  53.652 -19.987   3.314
  576   1HB   ALA  71           HB3      ALA  71  55.280 -17.949   2.077
  577   2HB   ALA  71           HB2      ALA  71  56.200 -18.742   3.356
  578   3HB   ALA  71           HB1      ALA  71  55.502 -19.698   2.050
  579    H    ALA  72           HN       ALA  72  54.080 -16.861   4.869
  580    HA   ALA  72           HA       ALA  72  55.543 -17.704   7.183
  581   1HB   ALA  72           HB1      ALA  72  53.935 -15.418   6.237
  582   2HB   ALA  72           HB3      ALA  72  53.962 -15.601   7.991
  583   3HB   ALA  72           HB2      ALA  72  55.473 -15.425   7.099
  584    H    PHE  73           HN       PHE  73  52.348 -18.402   6.183
  585    HA   PHE  73           HA       PHE  73  51.719 -19.464   8.908
  586   1HB   PHE  73           HB2      PHE  73  50.484 -17.285   7.449
  587   2HB   PHE  73           HB1      PHE  73  49.311 -18.576   7.728
  588    HD1  PHE  73           HD1      PHE  73  49.737 -19.712  10.222
  589    HD2  PHE  73           HD2      PHE  73  50.469 -15.635   9.086
  590    HE1  PHE  73           HE1      PHE  73  49.525 -19.014  12.592
  591    HE2  PHE  73           HE2      PHE  73  50.258 -14.937  11.456
  592    HZ   PHE  73           HZ       PHE  73  49.785 -16.626  13.209
  593    H    GLU  74           HN       GLU  74  50.699 -19.397   5.473
  594    HA   GLU  74           HA       GLU  74  49.982 -21.159   4.070
  595   1HB   GLU  74           HB2      GLU  74  51.116 -22.935   6.245
  596   2HB   GLU  74           HB1      GLU  74  51.018 -23.274   4.516
  597   1HG   GLU  74           HG2      GLU  74  52.434 -20.913   4.559
  598   2HG   GLU  74           HG1      GLU  74  53.024 -21.727   6.010
  599    H    GLN  75           HN       GLN  75  47.910 -21.923   3.876
  600    HA   GLN  75           HA       GLN  75  45.775 -22.731   4.491
  601   1HB   GLN  75           HB2      GLN  75  47.812 -24.116   5.982
  602   2HB   GLN  75           HB1      GLN  75  46.386 -23.921   7.001
  603   1HG   GLN  75           HG2      GLN  75  45.010 -24.777   5.041
  604   2HG   GLN  75           HG1      GLN  75  46.535 -25.210   4.268
  605   1HE2  GLN  75          HE22      GLN  75  47.110 -27.358   7.401
  606   2HE2  GLN  75          HE21      GLN  75  47.763 -25.850   6.976
  607    H    GLY  76           HN       GLY  76  47.007 -22.324   7.795
  608   1HA   GLY  76           HA2      GLY  76  46.033 -19.715   8.313
  609   2HA   GLY  76           HA1      GLY  76  44.721 -20.843   8.661
  610    H    GLY  77           HN       GLY  77  46.131 -23.006   9.699
  611   1HA   GLY  77           HA2      GLY  77  47.884 -23.404  11.439
  612   2HA   GLY  77           HA1      GLY  77  47.483 -21.814  12.089
   
  No H/Q in entry =         612
  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1  70.202 -14.401   2.178
    2   2H    ALA   1           HT3      ALA   1  70.485 -14.875   3.782
    3   3H    ALA   1           HT2      ALA   1  70.075 -16.038   2.614
    4    HA   ALA   1           HA       ALA   1  67.973 -15.818   3.332
    5   1HB   ALA   1           HB1      ALA   1  69.110 -14.615   5.273
    6   2HB   ALA   1           HB3      ALA   1  68.753 -13.104   4.435
    7   3HB   ALA   1           HB2      ALA   1  67.436 -14.144   4.978
    8    H    LYS   2           HN       LYS   2  66.318 -13.489   3.346
    9    HA   LYS   2           HA       LYS   2  66.345 -12.840   0.431
   10   1HB   LYS   2           HB2      LYS   2  63.958 -12.374   0.815
   11   2HB   LYS   2           HB1      LYS   2  64.378 -13.967   1.444
   12   1HG   LYS   2           HG2      LYS   2  64.888 -12.224   3.571
   13   2HG   LYS   2           HG1      LYS   2  63.381 -11.634   2.868
   14   1HD   LYS   2           HD2      LYS   2  62.508 -13.990   2.924
   15   2HD   LYS   2           HD1      LYS   2  63.964 -14.456   3.804
   16   1HE   LYS   2           HE2      LYS   2  63.050 -12.224   5.208
   17   2HE   LYS   2           HE1      LYS   2  61.568 -13.110   4.801
   18   1HZ   LYS   2           HZ1      LYS   2  63.862 -14.707   5.630
   19   2HZ   LYS   2           HZ3      LYS   2  63.112 -13.789   6.844
   20   3HZ   LYS   2           HZ2      LYS   2  62.210 -14.926   5.960
   21    H    GLN   3           HN       GLN   3  64.436 -10.591   1.068
   22    HA   GLN   3           HA       GLN   3  66.182  -8.621   2.444
   23   1HB   GLN   3           HB2      GLN   3  66.912  -8.804   0.061
   24   2HB   GLN   3           HB1      GLN   3  65.280  -8.369  -0.445
   25   1HG   GLN   3           HG2      GLN   3  65.476  -6.221   0.758
   26   2HG   GLN   3           HG1      GLN   3  67.114  -6.651   1.253
   27   1HE2  GLN   3          HE22      GLN   3  67.970  -6.678  -2.459
   28   2HE2  GLN   3          HE21      GLN   3  67.797  -7.938  -1.337
   29    H    ASP   4           HN       ASP   4  64.953  -6.959   3.356
   30    HA   ASP   4           HA       ASP   4  62.024  -6.925   2.687
   31   1HB   ASP   4           HB2      ASP   4  62.527  -5.827   5.278
   32   2HB   ASP   4           HB1      ASP   4  61.660  -7.312   4.887
   33    H    TYR   5           HN       TYR   5  61.616  -5.241   1.548
   34    HA   TYR   5           HA       TYR   5  63.184  -2.884   1.382
   35   1HB   TYR   5           HB2      TYR   5  60.472  -2.270   0.724
   36   2HB   TYR   5           HB1      TYR   5  61.843  -2.541  -0.341
   37    HD1  TYR   5           HD2      TYR   5  62.464  -4.898  -0.993
   38    HD2  TYR   5           HD1      TYR   5  58.750  -3.851   0.874
   39    HE1  TYR   5           HE2      TYR   5  61.467  -7.034  -1.789
   40    HE2  TYR   5           HE1      TYR   5  57.742  -5.985   0.083
   41    HH   TYR   5           HH       TYR   5  58.359  -7.628  -2.042
   42    H    TYR   6           HN       TYR   6  60.160  -3.469   3.223
   43    HA   TYR   6           HA       TYR   6  59.882  -0.944   4.425
   44   1HB   TYR   6           HB2      TYR   6  59.452  -3.782   5.325
   45   2HB   TYR   6           HB1      TYR   6  59.158  -2.455   6.447
   46    HD1  TYR   6           HD1      TYR   6  58.048  -0.343   4.748
   47    HD2  TYR   6           HD2      TYR   6  57.378  -4.579   4.648
   48    HE1  TYR   6           HE1      TYR   6  55.808   0.030   3.745
   49    HE2  TYR   6           HE2      TYR   6  55.142  -4.212   3.642
   50    HH   TYR   6           HH       TYR   6  53.596  -2.689   3.124
   51    H    GLU   7           HN       GLU   7  62.251  -3.441   4.858
   52    HA   GLU   7           HA       GLU   7  63.533  -2.098   7.169
   53   1HB   GLU   7           HB2      GLU   7  63.197  -4.675   6.631
   54   2HB   GLU   7           HB1      GLU   7  64.647  -4.443   5.652
   55   1HG   GLU   7           HG2      GLU   7  64.852  -3.214   8.308
   56   2HG   GLU   7           HG1      GLU   7  64.624  -4.962   8.372
   57    H    ILE   8           HN       ILE   8  63.922  -2.609   3.695
   58    HA   ILE   8           HA       ILE   8  66.589  -1.879   3.304
   59    HB   ILE   8           HB       ILE   8  64.088  -1.393   1.703
   60   1HG1  ILE   8          HG12      ILE   8  66.426  -3.343   1.536
   61   2HG1  ILE   8          HG11      ILE   8  64.764  -3.739   1.968
   62   1HG2  ILE   8          HG22      ILE   8  65.797   0.299   1.105
   63   2HG2  ILE   8          HG21      ILE   8  66.982  -0.985   0.870
   64   3HG2  ILE   8          HG23      ILE   8  65.580  -0.875  -0.194
   65   1HD1  ILE   8          HD11      ILE   8  64.250  -2.617  -0.388
   66   2HD1  ILE   8          HD13      ILE   8  65.920  -3.089  -0.711
   67   3HD1  ILE   8          HD12      ILE   8  64.726  -4.311  -0.271
   68    H    LEU   9           HN       LEU   9  63.734   0.236   3.618
   69    HA   LEU   9           HA       LEU   9  65.361   2.704   3.386
   70   1HB   LEU   9           HB2      LEU   9  62.541   2.503   4.404
   71   2HB   LEU   9           HB1      LEU   9  63.270   3.776   3.434
   72    HG   LEU   9           HG       LEU   9  63.502   1.407   1.919
   73   1HD1  LEU   9          HD11      LEU   9  61.619   0.754   3.663
   74   2HD1  LEU   9          HD13      LEU   9  60.610   1.752   2.618
   75   3HD1  LEU   9          HD12      LEU   9  61.438   0.343   1.958
   76   1HD2  LEU   9          HD23      LEU   9  62.731   4.046   1.606
   77   2HD2  LEU   9          HD22      LEU   9  62.698   2.823   0.338
   78   3HD2  LEU   9          HD21      LEU   9  61.244   3.167   1.267
   79    H    GLY  10           HN       GLY  10  64.440   0.481   5.837
   80   1HA   GLY  10           HA2      GLY  10  65.421   0.526   8.049
   81   2HA   GLY  10           HA1      GLY  10  65.588   2.279   7.906
   82    H    VAL  11           HN       VAL  11  62.619   0.818   6.863
   83    HA   VAL  11           HA       VAL  11  61.256   2.080   9.212
   84    HB   VAL  11           HB       VAL  11  59.446   1.272   7.153
   85   1HG1  VAL  11          HG13      VAL  11  60.483   3.926   8.134
   86   2HG1  VAL  11          HG12      VAL  11  59.168   3.777   6.969
   87   3HG1  VAL  11          HG11      VAL  11  58.988   3.111   8.593
   88   1HG2  VAL  11          HG21      VAL  11  61.992   2.451   6.147
   89   2HG2  VAL  11          HG23      VAL  11  60.904   1.299   5.375
   90   3HG2  VAL  11          HG22      VAL  11  60.481   3.008   5.453
   91    H    SER  12           HN       SER  12  59.040   0.939   9.611
   92    HA   SER  12           HA       SER  12  59.597  -1.882  10.236
   93   1HB   SER  12           HB2      SER  12  58.589  -0.562  11.961
   94   2HB   SER  12           HB1      SER  12  57.409   0.110  10.840
   95    HG   SER  12           HG       SER  12  56.227  -1.469  11.598
   96    H    LYS  13           HN       LYS  13  58.276  -3.623   9.424
   97    HA   LYS  13           HA       LYS  13  57.512  -3.482   6.727
   98   1HB   LYS  13           HB2      LYS  13  56.269  -5.560   7.237
   99   2HB   LYS  13           HB1      LYS  13  57.890  -5.547   7.931
  100   1HG   LYS  13           HG2      LYS  13  56.075  -4.333   9.800
  101   2HG   LYS  13           HG1      LYS  13  55.421  -5.895   9.304
  102   1HD   LYS  13           HD2      LYS  13  58.182  -6.319   9.663
  103   2HD   LYS  13           HD1      LYS  13  57.675  -5.333  11.035
  104   1HE   LYS  13           HE2      LYS  13  56.191  -6.955  11.827
  105   2HE   LYS  13           HE1      LYS  13  55.988  -7.694  10.226
  106   1HZ   LYS  13           HZ3      LYS  13  58.673  -7.847  10.701
  107   2HZ   LYS  13           HZ2      LYS  13  57.990  -8.205  12.215
  108   3HZ   LYS  13           HZ1      LYS  13  57.567  -9.124  10.850
  109    H    THR  14           HN       THR  14  55.954  -2.325   9.546
  110    HA   THR  14           HA       THR  14  53.399  -1.841   8.079
  111    HB   THR  14           HB       THR  14  52.380  -2.016  10.156
  112    HG1  THR  14           HG1      THR  14  53.042  -0.701  11.624
  113   1HG2  THR  14          HG22      THR  14  53.902  -4.048   9.761
  114   2HG2  THR  14          HG21      THR  14  54.984  -3.328  10.954
  115   3HG2  THR  14          HG23      THR  14  53.346  -3.793  11.415
  116    H    ALA  15           HN       ALA  15  56.196  -0.381   8.169
  117    HA   ALA  15           HA       ALA  15  56.186   2.102   9.375
  118   1HB   ALA  15           HB1      ALA  15  57.007   1.223   6.616
  119   2HB   ALA  15           HB3      ALA  15  57.582   2.679   7.419
  120   3HB   ALA  15           HB2      ALA  15  57.956   1.099   8.096
  121    H    GLU  16           HN       GLU  16  56.251   3.439   6.552
  122    HA   GLU  16           HA       GLU  16  53.600   3.782   5.598
  123   1HB   GLU  16           HB2      GLU  16  54.331   5.073   8.113
  124   2HB   GLU  16           HB1      GLU  16  53.815   6.252   6.900
  125   1HG   GLU  16           HG2      GLU  16  52.062   4.002   6.743
  126   2HG   GLU  16           HG1      GLU  16  52.186   4.477   8.437
  127    H    GLU  17           HN       GLU  17  53.693   5.060   3.775
  128    HA   GLU  17           HA       GLU  17  56.063   5.667   2.453
  129   1HB   GLU  17           HB2      GLU  17  54.642   6.984   0.995
  130   2HB   GLU  17           HB1      GLU  17  53.703   5.611   1.584
  131   1HG   GLU  17           HG2      GLU  17  52.604   6.984   3.241
  132   2HG   GLU  17           HG1      GLU  17  53.661   8.349   2.881
  133    H    ARG  18           HN       ARG  18  54.663   7.477   5.088
  134    HA   ARG  18           HA       ARG  18  56.096   9.956   4.383
  135   1HB   ARG  18           HB2      ARG  18  55.090  10.668   6.612
  136   2HB   ARG  18           HB1      ARG  18  53.925  10.151   5.395
  137   1HG   ARG  18           HG2      ARG  18  53.553   8.079   6.449
  138   2HG   ARG  18           HG1      ARG  18  55.050   8.182   7.380
  139   1HD   ARG  18           HD2      ARG  18  53.408   8.727   8.988
  140   2HD   ARG  18           HD1      ARG  18  53.922  10.330   8.421
  141    HE   ARG  18           HE       ARG  18  51.609   8.950   7.121
  142   1HH1  ARG  18          HH21      ARG  18  51.215  11.139   5.828
  143   2HH1  ARG  18          HH22      ARG  18  50.678  12.401   6.887
  144   1HH2  ARG  18          HH11      ARG  18  51.697  10.773   9.775
  145   2HH2  ARG  18          HH12      ARG  18  50.951  12.193   9.121
  146    H    GLU  19           HN       GLU  19  56.564   7.205   6.464
  147    HA   GLU  19           HA       GLU  19  58.946   8.443   7.707
  148   1HB   GLU  19           HB2      GLU  19  58.770   6.085   8.912
  149   2HB   GLU  19           HB1      GLU  19  57.709   7.396   9.396
  150   1HG   GLU  19           HG2      GLU  19  55.899   6.499   8.077
  151   2HG   GLU  19           HG1      GLU  19  56.964   5.304   7.334
  152    H    ILE  20           HN       ILE  20  57.863   6.338   5.235
  153    HA   ILE  20           HA       ILE  20  60.334   4.772   4.976
  154    HB   ILE  20           HB       ILE  20  57.994   5.306   3.122
  155   1HG1  ILE  20          HG12      ILE  20  57.766   4.120   5.520
  156   2HG1  ILE  20          HG11      ILE  20  56.831   3.596   4.127
  157   1HG2  ILE  20          HG21      ILE  20  60.459   3.698   2.905
  158   2HG2  ILE  20          HG23      ILE  20  58.984   2.870   2.423
  159   3HG2  ILE  20          HG22      ILE  20  59.437   4.378   1.640
  160   1HD1  ILE  20          HD12      ILE  20  59.420   2.267   4.175
  161   2HD1  ILE  20          HD11      ILE  20  58.559   2.024   5.688
  162   3HD1  ILE  20          HD13      ILE  20  57.807   1.564   4.167
  163    H    ARG  21           HN       ARG  21  58.645   7.225   2.991
  164    HA   ARG  21           HA       ARG  21  60.707   7.883   1.189
  165   1HB   ARG  21           HB2      ARG  21  59.554  10.092   1.133
  166   2HB   ARG  21           HB1      ARG  21  58.372   8.783   1.199
  167   1HG   ARG  21           HG2      ARG  21  57.586  10.266   2.842
  168   2HG   ARG  21           HG1      ARG  21  58.516   9.101   3.783
  169   1HD   ARG  21           HD2      ARG  21  59.745  10.830   4.578
  170   2HD   ARG  21           HD1      ARG  21  60.359  11.084   2.934
  171    HE   ARG  21           HE       ARG  21  58.983  12.994   2.885
  172   1HH1  ARG  21          HH11      ARG  21  56.442  11.823   2.404
  173   2HH1  ARG  21          HH12      ARG  21  55.519  12.141   3.834
  174   1HH2  ARG  21          HH21      ARG  21  58.294  12.853   5.789
  175   2HH2  ARG  21          HH22      ARG  21  56.567  12.719   5.751
  176    H    LYS  22           HN       LYS  22  60.208   8.565   4.545
  177    HA   LYS  22           HA       LYS  22  62.335  10.505   4.922
  178   1HB   LYS  22           HB2      LYS  22  60.083   9.905   6.205
  179   2HB   LYS  22           HB1      LYS  22  61.119   8.759   7.055
  180   1HG   LYS  22           HG2      LYS  22  61.760  11.713   6.773
  181   2HG   LYS  22           HG1      LYS  22  60.948  11.017   8.174
  182   1HD   LYS  22           HD2      LYS  22  63.610   9.967   7.202
  183   2HD   LYS  22           HD1      LYS  22  63.499  11.302   8.341
  184   1HE   LYS  22           HE2      LYS  22  61.886   8.853   8.941
  185   2HE   LYS  22           HE1      LYS  22  63.638   8.782   9.213
  186   1HZ   LYS  22           HZ1      LYS  22  63.120  11.186  10.181
  187   2HZ   LYS  22           HZ3      LYS  22  61.628  10.450  10.512
  188   3HZ   LYS  22           HZ2      LYS  22  63.059   9.787  11.143
  189    H    ALA  23           HN       ALA  23  61.890   7.068   5.838
  190    HA   ALA  23           HA       ALA  23  64.359   6.522   7.018
  191   1HB   ALA  23           HB1      ALA  23  62.119   5.144   6.149
  192   2HB   ALA  23           HB3      ALA  23  63.405   4.453   5.161
  193   3HB   ALA  23           HB2      ALA  23  63.524   4.406   6.920
  194    H    TYR  24           HN       TYR  24  63.543   6.503   3.560
  195    HA   TYR  24           HA       TYR  24  66.193   5.794   2.648
  196   1HB   TYR  24           HB2      TYR  24  64.003   5.466   1.446
  197   2HB   TYR  24           HB1      TYR  24  63.867   7.208   1.275
  198    HD1  TYR  24           HD1      TYR  24  67.274   6.106   1.159
  199    HD2  TYR  24           HD2      TYR  24  63.728   6.565  -1.222
  200    HE1  TYR  24           HE1      TYR  24  68.648   6.048  -0.904
  201    HE2  TYR  24           HE2      TYR  24  65.102   6.506  -3.283
  202    HH   TYR  24           HH       TYR  24  68.617   6.526  -3.143
  203    H    LYS  25           HN       LYS  25  64.304   8.739   3.073
  204    HA   LYS  25           HA       LYS  25  66.048  10.709   2.067
  205   1HB   LYS  25           HB2      LYS  25  63.708  10.398   3.659
  206   2HB   LYS  25           HB1      LYS  25  64.765  11.524   4.499
  207   1HG   LYS  25           HG2      LYS  25  64.148  13.141   3.055
  208   2HG   LYS  25           HG1      LYS  25  64.863  12.203   1.741
  209   1HD   LYS  25           HD2      LYS  25  62.818  11.069   1.297
  210   2HD   LYS  25           HD1      LYS  25  62.105  11.616   2.813
  211   1HE   LYS  25           HE2      LYS  25  63.016  13.730   0.904
  212   2HE   LYS  25           HE1      LYS  25  61.529  12.846   0.506
  213   1HZ   LYS  25           HZ1      LYS  25  60.961  13.203   2.963
  214   2HZ   LYS  25           HZ3      LYS  25  62.143  14.419   2.930
  215   3HZ   LYS  25           HZ2      LYS  25  60.789  14.526   1.911
  216    H    ARG  26           HN       ARG  26  65.849   9.386   5.390
  217    HA   ARG  26           HA       ARG  26  67.799  10.891   6.673
  218   1HB   ARG  26           HB2      ARG  26  67.300   7.903   6.874
  219   2HB   ARG  26           HB1      ARG  26  68.031   8.908   8.126
  220   1HG   ARG  26           HG2      ARG  26  65.473   9.965   7.159
  221   2HG   ARG  26           HG1      ARG  26  65.327   8.366   7.890
  222   1HD   ARG  26           HD2      ARG  26  65.104   9.854   9.730
  223   2HD   ARG  26           HD1      ARG  26  66.807   9.365   9.802
  224    HE   ARG  26           HE       ARG  26  66.328  11.697   8.100
  225   1HH1  ARG  26          HH11      ARG  26  68.627  10.746  10.078
  226   2HH1  ARG  26          HH12      ARG  26  68.630  12.104  11.154
  227   1HH2  ARG  26          HH21      ARG  26  65.615  13.366   9.998
  228   2HH2  ARG  26          HH22      ARG  26  66.926  13.587  11.107
  229    H    LEU  27           HN       LEU  27  68.415   7.773   5.010
  230    HA   LEU  27           HA       LEU  27  71.310   8.151   5.122
  231   1HB   LEU  27           HB2      LEU  27  71.349   5.960   4.215
  232   2HB   LEU  27           HB1      LEU  27  69.887   5.989   5.201
  233    HG   LEU  27           HG       LEU  27  68.738   6.762   2.982
  234   1HD1  LEU  27          HD13      LEU  27  71.408   6.358   2.111
  235   2HD1  LEU  27          HD12      LEU  27  70.442   5.055   1.419
  236   3HD1  LEU  27          HD11      LEU  27  69.999   6.736   1.119
  237   1HD2  LEU  27          HD23      LEU  27  68.700   4.481   4.320
  238   2HD2  LEU  27          HD22      LEU  27  68.004   4.575   2.703
  239   3HD2  LEU  27          HD21      LEU  27  69.616   3.899   2.930
  240    H    ALA  28           HN       ALA  28  68.731   8.513   2.751
  241    HA   ALA  28           HA       ALA  28  70.428   8.856   0.456
  242   1HB   ALA  28           HB2      ALA  28  68.023   8.171   0.511
  243   2HB   ALA  28           HB1      ALA  28  67.605   9.803   1.030
  244   3HB   ALA  28           HB3      ALA  28  68.309   9.538  -0.565
  245    H    MET  29           HN       MET  29  68.943  11.118   2.778
  246    HA   MET  29           HA       MET  29  69.835  13.484   1.369
  247   1HB   MET  29           HB2      MET  29  69.089  14.608   3.342
  248   2HB   MET  29           HB1      MET  29  68.052  13.186   3.235
  249   1HG   MET  29           HG2      MET  29  69.398  12.008   4.862
  250   2HG   MET  29           HG1      MET  29  70.599  13.298   4.872
  251   1HE   MET  29           HE1      MET  29  70.940  14.310   6.469
  252   2HE   MET  29           HE3      MET  29  69.978  15.764   6.769
  253   3HE   MET  29           HE2      MET  29  69.989  14.452   7.945
  254    H    LYS  30           HN       LYS  30  71.233  11.183   3.578
  255    HA   LYS  30           HA       LYS  30  73.681  12.796   4.007
  256   1HB   LYS  30           HB2      LYS  30  72.403  10.316   5.051
  257   2HB   LYS  30           HB1      LYS  30  74.164  10.386   5.124
  258   1HG   LYS  30           HG2      LYS  30  74.118  11.874   6.818
  259   2HG   LYS  30           HG1      LYS  30  72.962  12.900   5.969
  260   1HD   LYS  30           HD2      LYS  30  71.176  12.011   7.063
  261   2HD   LYS  30           HD1      LYS  30  71.832  10.374   6.995
  262   1HE   LYS  30           HE2      LYS  30  71.894  10.909   9.311
  263   2HE   LYS  30           HE1      LYS  30  73.550  11.242   8.768
  264   1HZ   LYS  30           HZ1      LYS  30  71.549  13.360   8.475
  265   2HZ   LYS  30           HZ3      LYS  30  72.149  13.060  10.033
  266   3HZ   LYS  30           HZ2      LYS  30  73.216  13.482   8.780
  267    H    TYR  31           HN       TYR  31  72.463  10.403   1.812
  268    HA   TYR  31           HA       TYR  31  75.239   9.676   0.966
  269   1HB   TYR  31           HB2      TYR  31  72.550   8.395   0.881
  270   2HB   TYR  31           HB1      TYR  31  73.668   8.016  -0.428
  271    HD1  TYR  31           HD1      TYR  31  74.931   8.955   2.884
  272    HD2  TYR  31           HD2      TYR  31  73.907   5.668   0.317
  273    HE1  TYR  31           HE1      TYR  31  76.164   7.410   4.377
  274    HE2  TYR  31           HE2      TYR  31  75.141   4.121   1.811
  275    HH   TYR  31           HH       TYR  31  77.040   4.304   3.487
  276    H    HIS  32           HN       HIS  32  73.159  11.969   0.275
  277    HA   HIS  32           HA       HIS  32  72.672  11.989  -2.508
  278   1HB   HIS  32           HB2      HIS  32  72.325  14.354  -1.990
  279   2HB   HIS  32           HB1      HIS  32  71.788  13.376  -0.637
  280    HD1  HIS  32           HD1      HIS  32  73.123  16.393  -0.629
  281    HD2  HIS  32           HD2      HIS  32  74.802  12.819   0.706
  282    HE1  HIS  32           HE1      HIS  32  74.921  17.030   1.036
  283    HA   PRO  33           HA       PRO  33  76.439  13.212  -4.401
  284   1HB   PRO  33           HB2      PRO  33  76.950  15.906  -4.518
  285   2HB   PRO  33           HB1      PRO  33  75.786  15.073  -5.568
  286   1HG   PRO  33           HG2      PRO  33  75.304  16.680  -3.119
  287   2HG   PRO  33           HG1      PRO  33  74.365  16.590  -4.615
  288   1HD   PRO  33           HD2      PRO  33  73.675  15.364  -2.329
  289   2HD   PRO  33           HD1      PRO  33  73.215  14.752  -3.930
  290    H    ASP  34           HN       ASP  34  76.781  12.438  -1.863
  291    HA   ASP  34           HA       ASP  34  79.008  14.101  -0.750
  292   1HB   ASP  34           HB2      ASP  34  77.914  13.751   1.219
  293   2HB   ASP  34           HB1      ASP  34  76.671  12.858   0.354
  294    H    ARG  35           HN       ARG  35  77.904  10.865  -1.648
  295    HA   ARG  35           HA       ARG  35  80.734  10.024  -2.062
  296   1HB   ARG  35           HB2      ARG  35  80.113   7.870  -0.968
  297   2HB   ARG  35           HB1      ARG  35  79.956   9.236   0.138
  298   1HG   ARG  35           HG2      ARG  35  77.932   8.076   0.451
  299   2HG   ARG  35           HG1      ARG  35  77.491   9.330  -0.706
  300   1HD   ARG  35           HD2      ARG  35  76.828   7.732  -2.142
  301   2HD   ARG  35           HD1      ARG  35  78.494   7.123  -2.198
  302    HE   ARG  35           HE       ARG  35  76.327   6.031  -0.537
  303   1HH1  ARG  35          HH11      ARG  35  78.708   6.580   1.243
  304   2HH1  ARG  35          HH12      ARG  35  79.581   5.088   1.131
  305   1HH2  ARG  35          HH21      ARG  35  77.879   3.993  -1.681
  306   2HH2  ARG  35          HH22      ARG  35  79.109   3.624  -0.519
  307    H    ASN  36           HN       ASN  36  77.270   9.674  -2.800
  308    HA   ASN  36           HA       ASN  36  77.160   7.542  -4.549
  309   1HB   ASN  36           HB2      ASN  36  75.861  10.153  -4.189
  310   2HB   ASN  36           HB1      ASN  36  75.736   9.534  -5.836
  311   1HD2  ASN  36          HD22      ASN  36  73.118   8.107  -3.336
  312   2HD2  ASN  36          HD21      ASN  36  73.780   9.669  -3.376
  313    H    GLN  37           HN       GLN  37  78.844  10.585  -5.023
  314    HA   GLN  37           HA       GLN  37  79.203  10.478  -7.866
  315   1HB   GLN  37           HB2      GLN  37  81.128  11.553  -5.785
  316   2HB   GLN  37           HB1      GLN  37  80.871  12.155  -7.423
  317   1HG   GLN  37           HG2      GLN  37  78.332  12.225  -6.275
  318   2HG   GLN  37           HG1      GLN  37  79.400  12.767  -4.982
  319   1HE2  GLN  37          HE22      GLN  37  80.420  15.735  -6.735
  320   2HE2  GLN  37          HE21      GLN  37  80.922  14.614  -5.564
  321    H    GLY  38           HN       GLY  38  80.393   8.477  -5.372
  322   1HA   GLY  38           HA2      GLY  38  82.441   7.349  -7.236
  323   2HA   GLY  38           HA1      GLY  38  82.765   7.506  -5.507
  324    H    ASP  39           HN       ASP  39  79.611   6.655  -6.753
  325    HA   ASP  39           HA       ASP  39  78.993   4.544  -5.103
  326   1HB   ASP  39           HB2      ASP  39  77.704   3.707  -7.198
  327   2HB   ASP  39           HB1      ASP  39  77.366   5.338  -6.617
  328    H    LYS  40           HN       LYS  40  80.291   2.824  -4.593
  329    HA   LYS  40           HA       LYS  40  82.071   1.595  -6.600
  330   1HB   LYS  40           HB2      LYS  40  82.331   2.107  -3.987
  331   2HB   LYS  40           HB1      LYS  40  81.623   0.495  -3.863
  332   1HG   LYS  40           HG2      LYS  40  83.510  -0.513  -4.605
  333   2HG   LYS  40           HG1      LYS  40  83.739   0.674  -5.890
  334   1HD   LYS  40           HD2      LYS  40  84.225   1.545  -3.069
  335   2HD   LYS  40           HD1      LYS  40  85.437   0.523  -3.844
  336   1HE   LYS  40           HE2      LYS  40  84.660   2.531  -5.732
  337   2HE   LYS  40           HE1      LYS  40  85.050   3.331  -4.196
  338   1HZ   LYS  40           HZ2      LYS  40  86.723   1.198  -5.409
  339   2HZ   LYS  40           HZ1      LYS  40  87.021   2.856  -5.630
  340   3HZ   LYS  40           HZ3      LYS  40  87.109   2.180  -4.077
  341    H    GLU  41           HN       GLU  41  79.049   0.910  -4.945
  342    HA   GLU  41           HA       GLU  41  78.093  -0.998  -6.818
  343   1HB   GLU  41           HB2      GLU  41  78.577  -3.049  -5.290
  344   2HB   GLU  41           HB1      GLU  41  79.913  -2.426  -6.258
  345   1HG   GLU  41           HG2      GLU  41  80.837  -1.245  -4.389
  346   2HG   GLU  41           HG1      GLU  41  79.387  -1.514  -3.426
  347    H    ALA  42           HN       ALA  42  78.298  -0.074  -3.397
  348    HA   ALA  42           HA       ALA  42  75.800  -1.154  -2.512
  349   1HB   ALA  42           HB2      ALA  42  77.784  -0.090  -1.226
  350   2HB   ALA  42           HB1      ALA  42  77.040   1.460  -1.620
  351   3HB   ALA  42           HB3      ALA  42  76.163   0.284  -0.641
  352    H    GLU  43           HN       GLU  43  76.592   1.346  -4.707
  353    HA   GLU  43           HA       GLU  43  74.790   3.386  -4.649
  354   1HB   GLU  43           HB2      GLU  43  76.261   2.727  -6.560
  355   2HB   GLU  43           HB1      GLU  43  75.091   1.475  -6.977
  356   1HG   GLU  43           HG2      GLU  43  73.697   2.949  -7.952
  357   2HG   GLU  43           HG1      GLU  43  73.834   4.086  -6.609
  358    H    ALA  44           HN       ALA  44  73.961   0.203  -5.967
  359    HA   ALA  44           HA       ALA  44  71.296   0.665  -6.486
  360   1HB   ALA  44           HB2      ALA  44  73.046  -1.418  -6.646
  361   2HB   ALA  44           HB1      ALA  44  71.971  -1.996  -5.373
  362   3HB   ALA  44           HB3      ALA  44  71.318  -1.580  -6.958
  363    H    LYS  45           HN       LYS  45  72.573  -0.804  -3.459
  364    HA   LYS  45           HA       LYS  45  70.184  -1.066  -2.050
  365   1HB   LYS  45           HB2      LYS  45  72.253  -1.769  -1.069
  366   2HB   LYS  45           HB1      LYS  45  72.932  -0.137  -1.173
  367   1HG   LYS  45           HG2      LYS  45  71.323   0.686   0.460
  368   2HG   LYS  45           HG1      LYS  45  70.503  -0.875   0.491
  369   1HD   LYS  45           HD2      LYS  45  72.209  -1.908   1.684
  370   2HD   LYS  45           HD1      LYS  45  73.437  -0.784   1.102
  371   1HE   LYS  45           HE2      LYS  45  73.199   0.384   3.029
  372   2HE   LYS  45           HE1      LYS  45  71.534   0.764   2.546
  373   1HZ   LYS  45           HZ2      LYS  45  70.985  -1.566   3.324
  374   2HZ   LYS  45           HZ1      LYS  45  72.502  -1.573   4.089
  375   3HZ   LYS  45           HZ3      LYS  45  71.329  -0.433   4.542
  376    H    PHE  46           HN       PHE  46  71.824   1.881  -2.998
  377    HA   PHE  46           HA       PHE  46  70.412   3.633  -1.160
  378   1HB   PHE  46           HB2      PHE  46  71.723   4.267  -3.820
  379   2HB   PHE  46           HB1      PHE  46  71.444   5.382  -2.486
  380    HD1  PHE  46           HD1      PHE  46  72.151   2.743  -0.593
  381    HD2  PHE  46           HD2      PHE  46  74.143   5.125  -3.562
  382    HE1  PHE  46           HE1      PHE  46  74.348   2.130   0.386
  383    HE2  PHE  46           HE2      PHE  46  76.335   4.510  -2.584
  384    HZ   PHE  46           HZ       PHE  46  76.439   3.013  -0.609
  385    H    LYS  47           HN       LYS  47  70.028   2.912  -4.674
  386    HA   LYS  47           HA       LYS  47  67.438   4.353  -4.635
  387   1HB   LYS  47           HB2      LYS  47  67.853   4.543  -6.872
  388   2HB   LYS  47           HB1      LYS  47  69.455   3.922  -6.494
  389   1HG   LYS  47           HG2      LYS  47  67.070   2.205  -7.243
  390   2HG   LYS  47           HG1      LYS  47  68.365   2.668  -8.347
  391   1HD   LYS  47           HD2      LYS  47  69.757   1.670  -6.181
  392   2HD   LYS  47           HD1      LYS  47  68.343   0.617  -6.248
  393   1HE   LYS  47           HE2      LYS  47  70.285   1.179  -8.519
  394   2HE   LYS  47           HE1      LYS  47  70.021  -0.371  -7.696
  395   1HZ   LYS  47           HZ1      LYS  47  67.518   0.362  -8.377
  396   2HZ   LYS  47           HZ3      LYS  47  68.405   0.937  -9.704
  397   3HZ   LYS  47           HZ2      LYS  47  68.485  -0.706  -9.277
  398    H    GLU  48           HN       GLU  48  68.614   1.238  -4.034
  399    HA   GLU  48           HA       GLU  48  66.481  -0.444  -4.954
  400   1HB   GLU  48           HB2      GLU  48  68.610  -0.464  -2.825
  401   2HB   GLU  48           HB1      GLU  48  67.389  -1.732  -2.817
  402   1HG   GLU  48           HG2      GLU  48  68.710  -1.111  -5.417
  403   2HG   GLU  48           HG1      GLU  48  69.663  -1.972  -4.209
  404    H    ILE  49           HN       ILE  49  67.090   1.563  -2.197
  405    HA   ILE  49           HA       ILE  49  64.945   0.856  -0.465
  406    HB   ILE  49           HB       ILE  49  66.344   3.459  -1.087
  407   1HG1  ILE  49          HG12      ILE  49  66.860   1.901   1.376
  408   2HG1  ILE  49          HG11      ILE  49  67.412   1.174  -0.133
  409   1HG2  ILE  49          HG21      ILE  49  64.220   3.865   0.085
  410   2HG2  ILE  49          HG23      ILE  49  64.703   2.720   1.336
  411   3HG2  ILE  49          HG22      ILE  49  65.605   4.218   1.117
  412   1HD1  ILE  49          HD13      ILE  49  68.056   4.009   0.711
  413   2HD1  ILE  49          HD12      ILE  49  69.134   2.635   0.961
  414   3HD1  ILE  49          HD11      ILE  49  68.710   3.138  -0.673
  415    H    LYS  50           HN       LYS  50  65.199   3.311  -2.991
  416    HA   LYS  50           HA       LYS  50  62.698   4.514  -2.926
  417   1HB   LYS  50           HB2      LYS  50  64.793   4.581  -4.581
  418   2HB   LYS  50           HB1      LYS  50  63.762   3.539  -5.561
  419   1HG   LYS  50           HG2      LYS  50  61.951   5.415  -4.930
  420   2HG   LYS  50           HG1      LYS  50  63.407   6.405  -4.824
  421   1HD   LYS  50           HD2      LYS  50  64.048   5.473  -7.112
  422   2HD   LYS  50           HD1      LYS  50  62.405   4.836  -7.207
  423   1HE   LYS  50           HE2      LYS  50  61.458   7.064  -7.028
  424   2HE   LYS  50           HE1      LYS  50  63.058   7.763  -6.714
  425   1HZ   LYS  50           HZ2      LYS  50  62.665   6.090  -9.098
  426   2HZ   LYS  50           HZ1      LYS  50  62.128   7.701  -9.134
  427   3HZ   LYS  50           HZ3      LYS  50  63.764   7.361  -8.845
  428    H    GLU  51           HN       GLU  51  63.507   1.255  -4.049
  429    HA   GLU  51           HA       GLU  51  61.167   0.488  -5.408
  430   1HB   GLU  51           HB2      GLU  51  63.400  -0.729  -4.864
  431   2HB   GLU  51           HB1      GLU  51  62.589  -1.244  -3.385
  432   1HG   GLU  51           HG2      GLU  51  60.958  -2.474  -4.558
  433   2HG   GLU  51           HG1      GLU  51  61.276  -1.624  -6.071
  434    H    ALA  52           HN       ALA  52  61.786   0.692  -1.926
  435    HA   ALA  52           HA       ALA  52  59.690  -0.539  -0.659
  436   1HB   ALA  52           HB1      ALA  52  61.497   1.014   0.226
  437   2HB   ALA  52           HB3      ALA  52  60.478   2.368  -0.260
  438   3HB   ALA  52           HB2      ALA  52  59.915   1.240   0.972
  439    H    TYR  53           HN       TYR  53  59.430   2.419  -2.614
  440    HA   TYR  53           HA       TYR  53  56.746   3.082  -1.980
  441   1HB   TYR  53           HB2      TYR  53  58.277   3.406  -4.582
  442   2HB   TYR  53           HB1      TYR  53  56.919   4.400  -4.037
  443    HD1  TYR  53           HD1      TYR  53  57.544   4.510  -1.126
  444    HD2  TYR  53           HD2      TYR  53  60.081   5.019  -4.543
  445    HE1  TYR  53           HE1      TYR  53  59.084   5.874   0.245
  446    HE2  TYR  53           HE2      TYR  53  61.628   6.397  -3.179
  447    HH   TYR  53           HH       TYR  53  61.194   7.916  -0.866
  448    H    GLU  54           HN       GLU  54  58.045   0.569  -4.096
  449    HA   GLU  54           HA       GLU  54  55.667   0.002  -5.599
  450   1HB   GLU  54           HB2      GLU  54  57.577  -2.087  -4.530
  451   2HB   GLU  54           HB1      GLU  54  56.742  -2.065  -6.083
  452   1HG   GLU  54           HG2      GLU  54  58.282   0.311  -5.914
  453   2HG   GLU  54           HG1      GLU  54  59.322  -1.032  -5.440
  454    H    VAL  55           HN       VAL  55  56.455  -0.324  -2.265
  455    HA   VAL  55           HA       VAL  55  54.154  -2.143  -1.910
  456    HB   VAL  55           HB       VAL  55  55.429  -3.262  -0.415
  457   1HG1  VAL  55          HG11      VAL  55  57.225  -2.298  -2.068
  458   2HG1  VAL  55          HG13      VAL  55  57.728  -1.380  -0.649
  459   3HG1  VAL  55          HG12      VAL  55  57.720  -3.139  -0.604
  460   1HG2  VAL  55          HG21      VAL  55  54.804  -1.367   1.208
  461   2HG2  VAL  55          HG23      VAL  55  56.171  -2.407   1.597
  462   3HG2  VAL  55          HG22      VAL  55  56.452  -0.814   0.928
  463    H    LEU  56           HN       LEU  56  55.680   0.505  -0.080
  464    HA   LEU  56           HA       LEU  56  53.275   1.178   1.350
  465   1HB   LEU  56           HB2      LEU  56  54.649   3.557   1.270
  466   2HB   LEU  56           HB1      LEU  56  54.956   2.259   2.422
  467    HG   LEU  56           HG       LEU  56  56.323   2.123  -0.233
  468   1HD1  LEU  56          HD13      LEU  56  57.159   3.924   2.038
  469   2HD1  LEU  56          HD12      LEU  56  58.128   3.561   0.609
  470   3HD1  LEU  56          HD11      LEU  56  56.616   4.456   0.451
  471   1HD2  LEU  56          HD22      LEU  56  56.342   0.614   2.050
  472   2HD2  LEU  56          HD21      LEU  56  57.680   0.666   0.906
  473   3HD2  LEU  56          HD23      LEU  56  57.706   1.676   2.343
  474    H    THR  57           HN       THR  57  54.620   2.504  -1.693
  475    HA   THR  57           HA       THR  57  52.189   4.189  -1.989
  476    HB   THR  57           HB       THR  57  53.438   5.353  -3.619
  477    HG1  THR  57           HG1      THR  57  55.183   4.428  -4.684
  478   1HG2  THR  57          HG23      THR  57  55.350   4.218  -1.566
  479   2HG2  THR  57          HG22      THR  57  55.782   5.527  -2.665
  480   3HG2  THR  57          HG21      THR  57  54.480   5.749  -1.497
  481    H    ASP  58           HN       ASP  58  52.747   1.045  -2.470
  482    HA   ASP  58           HA       ASP  58  50.793   0.853  -4.669
  483   1HB   ASP  58           HB2      ASP  58  53.637   0.538  -5.008
  484   2HB   ASP  58           HB1      ASP  58  52.858  -1.030  -5.229
  485    H    SER  59           HN       SER  59  49.408  -0.694  -4.189
  486    HA   SER  59           HA       SER  59  49.620  -2.162  -1.776
  487   1HB   SER  59           HB2      SER  59  47.601  -1.345  -3.203
  488   2HB   SER  59           HB1      SER  59  47.781  -2.887  -4.032
  489    HG   SER  59           HG       SER  59  46.878  -3.798  -2.379
  490    H    GLN  60           HN       GLN  60  51.412  -2.812  -4.455
  491    HA   GLN  60           HA       GLN  60  50.958  -5.671  -4.750
  492   1HB   GLN  60           HB2      GLN  60  52.067  -3.728  -6.249
  493   2HB   GLN  60           HB1      GLN  60  53.531  -4.382  -5.514
  494   1HG   GLN  60           HG2      GLN  60  52.359  -6.697  -6.183
  495   2HG   GLN  60           HG1      GLN  60  51.633  -5.666  -7.417
  496   1HE2  GLN  60          HE22      GLN  60  55.414  -6.870  -7.911
  497   2HE2  GLN  60          HE21      GLN  60  54.354  -7.554  -6.776
  498    H    LYS  61           HN       LYS  61  53.891  -3.943  -3.624
  499    HA   LYS  61           HA       LYS  61  54.977  -6.277  -2.301
  500   1HB   LYS  61           HB2      LYS  61  55.593  -3.356  -2.502
  501   2HB   LYS  61           HB1      LYS  61  56.487  -4.371  -1.376
  502   1HG   LYS  61           HG2      LYS  61  57.269  -3.942  -3.905
  503   2HG   LYS  61           HG1      LYS  61  57.631  -5.422  -3.024
  504   1HD   LYS  61           HD2      LYS  61  55.824  -6.602  -4.085
  505   2HD   LYS  61           HD1      LYS  61  55.152  -5.108  -4.739
  506   1HE   LYS  61           HE2      LYS  61  57.942  -6.019  -5.473
  507   2HE   LYS  61           HE1      LYS  61  56.515  -6.551  -6.382
  508   1HZ   LYS  61           HZ2      LYS  61  55.987  -3.963  -6.124
  509   2HZ   LYS  61           HZ1      LYS  61  57.685  -3.895  -6.166
  510   3HZ   LYS  61           HZ3      LYS  61  56.832  -4.600  -7.452
  511    H    ARG  62           HN       ARG  62  53.227  -3.410  -1.075
  512    HA   ARG  62           HA       ARG  62  53.659  -4.016   1.703
  513   1HB   ARG  62           HB2      ARG  62  51.816  -2.408   2.023
  514   2HB   ARG  62           HB1      ARG  62  52.920  -1.825   0.777
  515   1HG   ARG  62           HG2      ARG  62  51.281  -1.838  -0.753
  516   2HG   ARG  62           HG1      ARG  62  50.909  -3.522  -0.407
  517   1HD   ARG  62           HD2      ARG  62  48.910  -2.632   0.314
  518   2HD   ARG  62           HD1      ARG  62  49.834  -2.310   1.795
  519    HE   ARG  62           HE       ARG  62  49.456  -0.318  -0.408
  520   1HH1  ARG  62          HH21      ARG  62  51.044   1.397   0.413
  521   2HH1  ARG  62          HH22      ARG  62  50.745   1.882   2.050
  522   1HH2  ARG  62          HH11      ARG  62  48.696  -0.826   2.757
  523   2HH2  ARG  62          HH12      ARG  62  49.416   0.621   3.377
  524    H    ALA  63           HN       ALA  63  51.530  -5.242  -0.726
  525    HA   ALA  63           HA       ALA  63  49.741  -6.594   1.205
  526   1HB   ALA  63           HB3      ALA  63  49.977  -6.643  -1.829
  527   2HB   ALA  63           HB2      ALA  63  48.659  -7.364  -0.907
  528   3HB   ALA  63           HB1      ALA  63  48.882  -5.615  -0.907
  529    H    ALA  64           HN       ALA  64  52.563  -7.094  -0.724
  530    HA   ALA  64           HA       ALA  64  52.533 -10.033  -0.535
  531   1HB   ALA  64           HB3      ALA  64  53.722  -8.025  -2.121
  532   2HB   ALA  64           HB2      ALA  64  55.056  -8.744  -1.221
  533   3HB   ALA  64           HB1      ALA  64  54.027  -9.758  -2.233
  534    H    TYR  65           HN       TYR  65  54.310  -7.246   0.817
  535    HA   TYR  65           HA       TYR  65  56.022  -8.729   2.571
  536   1HB   TYR  65           HB2      TYR  65  55.932  -6.235   1.750
  537   2HB   TYR  65           HB1      TYR  65  54.888  -6.005   3.157
  538    HD1  TYR  65           HD2      TYR  65  55.763  -7.145   5.395
  539    HD2  TYR  65           HD1      TYR  65  58.248  -6.007   2.085
  540    HE1  TYR  65           HE2      TYR  65  57.736  -7.089   6.895
  541    HE2  TYR  65           HE1      TYR  65  60.222  -5.947   3.584
  542    HH   TYR  65           HH       TYR  65  60.038  -5.828   6.854
  543    H    ASP  66           HN       ASP  66  53.021  -6.896   3.357
  544    HA   ASP  66           HA       ASP  66  52.698  -7.531   6.025
  545   1HB   ASP  66           HB2      ASP  66  50.495  -6.877   5.690
  546   2HB   ASP  66           HB1      ASP  66  51.211  -6.303   4.188
  547    H    GLN  67           HN       GLN  67  52.333  -9.742   3.310
  548    HA   GLN  67           HA       GLN  67  51.476 -11.903   5.199
  549   1HB   GLN  67           HB2      GLN  67  51.296 -11.637   2.178
  550   2HB   GLN  67           HB1      GLN  67  50.663 -12.990   3.117
  551   1HG   GLN  67           HG2      GLN  67  49.417 -11.078   4.451
  552   2HG   GLN  67           HG1      GLN  67  49.676 -10.163   2.966
  553   1HE2  GLN  67          HE22      GLN  67  46.478 -11.769   2.295
  554   2HE2  GLN  67          HE21      GLN  67  47.112 -10.430   3.124
  555    H    TYR  68           HN       TYR  68  54.257 -10.706   4.052
  556    HA   TYR  68           HA       TYR  68  56.375 -11.624   3.512
  557   1HB   TYR  68           HB2      TYR  68  54.964 -13.513   5.377
  558   2HB   TYR  68           HB1      TYR  68  56.574 -13.926   4.778
  559    HD1  TYR  68           HD1      TYR  68  54.609 -11.529   6.785
  560    HD2  TYR  68           HD2      TYR  68  58.533 -12.644   5.436
  561    HE1  TYR  68           HE1      TYR  68  55.618 -10.003   8.459
  562    HE2  TYR  68           HE2      TYR  68  59.541 -11.117   7.111
  563    HH   TYR  68           HH       TYR  68  58.078  -8.711   8.518
  564    H    GLY  69           HN       GLY  69  54.126 -12.165   1.622
  565   1HA   GLY  69           HA2      GLY  69  54.385 -13.311  -0.508
  566   2HA   GLY  69           HA1      GLY  69  55.311 -14.566   0.320
  567    H    HIS  70           HN       HIS  70  53.329 -15.528  -1.217
  568    HA   HIS  70           HA       HIS  70  50.813 -15.738   0.279
  569   1HB   HIS  70           HB2      HIS  70  50.117 -17.012  -1.651
  570   2HB   HIS  70           HB1      HIS  70  51.128 -15.692  -2.250
  571    HD1  HIS  70           HD1      HIS  70  51.226 -19.406  -1.551
  572    HD2  HIS  70           HD2      HIS  70  53.547 -16.506  -3.444
  573    HE1  HIS  70           HE1      HIS  70  53.059 -20.647  -2.781
  574    H    ALA  71           HN       ALA  71  53.703 -16.968   0.990
  575    HA   ALA  71           HA       ALA  71  53.045 -19.815   1.295
  576   1HB   ALA  71           HB1      ALA  71  55.313 -18.893   0.767
  577   2HB   ALA  71           HB3      ALA  71  55.341 -18.140   2.361
  578   3HB   ALA  71           HB2      ALA  71  55.311 -19.897   2.217
  579    H    ALA  72           HN       ALA  72  52.961 -16.900   3.253
  580    HA   ALA  72           HA       ALA  72  52.667 -18.355   5.790
  581   1HB   ALA  72           HB3      ALA  72  53.374 -15.777   4.895
  582   2HB   ALA  72           HB2      ALA  72  51.875 -15.565   5.800
  583   3HB   ALA  72           HB1      ALA  72  53.271 -16.320   6.570
  584    H    PHE  73           HN       PHE  73  50.606 -17.417   3.222
  585    HA   PHE  73           HA       PHE  73  48.214 -18.008   4.920
  586   1HB   PHE  73           HB2      PHE  73  48.935 -15.574   3.362
  587   2HB   PHE  73           HB1      PHE  73  47.250 -16.099   3.269
  588    HD1  PHE  73           HD1      PHE  73  46.799 -17.267   5.927
  589    HD2  PHE  73           HD2      PHE  73  48.942 -13.717   4.808
  590    HE1  PHE  73           HE1      PHE  73  46.377 -16.304   8.173
  591    HE2  PHE  73           HE2      PHE  73  48.519 -12.754   7.054
  592    HZ   PHE  73           HZ       PHE  73  47.237 -14.047   8.737
  593    H    GLU  74           HN       GLU  74  49.687 -17.873   1.697
  594    HA   GLU  74           HA       GLU  74  49.232 -19.158  -0.232
  595   1HB   GLU  74           HB2      GLU  74  47.353 -20.709   1.564
  596   2HB   GLU  74           HB1      GLU  74  48.257 -21.301   0.171
  597   1HG   GLU  74           HG2      GLU  74  50.280 -20.339   1.743
  598   2HG   GLU  74           HG1      GLU  74  49.144 -20.916   2.962
  599    H    GLN  75           HN       GLN  75  47.369 -19.650  -1.746
  600    HA   GLN  75           HA       GLN  75  45.394 -17.486  -1.633
  601   1HB   GLN  75           HB2      GLN  75  46.585 -19.330  -3.540
  602   2HB   GLN  75           HB1      GLN  75  44.836 -19.249  -3.751
  603   1HG   GLN  75           HG2      GLN  75  45.895 -16.599  -3.293
  604   2HG   GLN  75           HG1      GLN  75  46.747 -17.366  -4.633
  605   1HE2  GLN  75          HE22      GLN  75  44.070 -16.782  -6.821
  606   2HE2  GLN  75          HE21      GLN  75  45.743 -16.950  -6.592
  607    H    GLY  76           HN       GLY  76  45.373 -21.036  -1.354
  608   1HA   GLY  76           HA2      GLY  76  43.747 -22.448  -0.409
  609   2HA   GLY  76           HA1      GLY  76  42.950 -21.005   0.220
  610    H    GLY  77           HN       GLY  77  40.926 -22.132  -0.433
  611   1HA   GLY  77           HA2      GLY  77  39.175 -21.481  -2.082
  612   2HA   GLY  77           HA1      GLY  77  40.383 -21.717  -3.346
   
  No H/Q in entry =         612
  Start of MODEL    5
    1   1H    ALA   1           HT2      ALA   1  61.868 -12.624  -1.447
    2   2H    ALA   1           HT1      ALA   1  62.853 -13.817  -2.149
    3   3H    ALA   1           HT3      ALA   1  61.200 -14.116  -1.910
    4    HA   ALA   1           HA       ALA   1  61.428 -14.321   0.398
    5   1HB   ALA   1           HB1      ALA   1  63.483 -15.549  -1.381
    6   2HB   ALA   1           HB3      ALA   1  63.696 -15.776   0.355
    7   3HB   ALA   1           HB2      ALA   1  62.216 -16.324  -0.430
    8    H    LYS   2           HN       LYS   2  64.749 -13.597  -0.757
    9    HA   LYS   2           HA       LYS   2  65.430 -12.363   1.819
   10   1HB   LYS   2           HB2      LYS   2  66.732 -13.608  -0.360
   11   2HB   LYS   2           HB1      LYS   2  67.333 -11.948  -0.322
   12   1HG   LYS   2           HG2      LYS   2  67.386 -12.551   2.331
   13   2HG   LYS   2           HG1      LYS   2  67.710 -14.139   1.637
   14   1HD   LYS   2           HD2      LYS   2  69.853 -13.481   1.395
   15   2HD   LYS   2           HD1      LYS   2  69.286 -12.388   0.131
   16   1HE   LYS   2           HE2      LYS   2  70.334 -10.871   1.570
   17   2HE   LYS   2           HE1      LYS   2  68.683 -10.843   2.226
   18   1HZ   LYS   2           HZ2      LYS   2  70.443 -12.984   3.142
   19   2HZ   LYS   2           HZ1      LYS   2  70.778 -11.424   3.728
   20   3HZ   LYS   2           HZ3      LYS   2  69.254 -12.118   3.994
   21    H    GLN   3           HN       GLN   3  66.981 -10.216   1.178
   22    HA   GLN   3           HA       GLN   3  66.898  -7.920   0.623
   23   1HB   GLN   3           HB2      GLN   3  64.884  -8.838  -1.447
   24   2HB   GLN   3           HB1      GLN   3  65.956  -7.441  -1.539
   25   1HG   GLN   3           HG2      GLN   3  67.866  -9.211  -1.279
   26   2HG   GLN   3           HG1      GLN   3  66.635 -10.358  -1.806
   27   1HE2  GLN   3          HE22      GLN   3  67.603  -7.354  -4.458
   28   2HE2  GLN   3          HE21      GLN   3  67.575  -7.006  -2.796
   29    H    ASP   4           HN       ASP   4  65.860  -6.599   2.057
   30    HA   ASP   4           HA       ASP   4  62.867  -6.784   2.255
   31   1HB   ASP   4           HB2      ASP   4  63.567  -5.634   4.582
   32   2HB   ASP   4           HB1      ASP   4  63.521  -7.383   4.393
   33    H    TYR   5           HN       TYR   5  61.750  -4.997   1.902
   34    HA   TYR   5           HA       TYR   5  63.300  -2.527   1.364
   35   1HB   TYR   5           HB2      TYR   5  60.555  -2.368   0.525
   36   2HB   TYR   5           HB1      TYR   5  62.019  -2.373  -0.452
   37    HD1  TYR   5           HD2      TYR   5  62.927  -4.412  -1.400
   38    HD2  TYR   5           HD1      TYR   5  59.314  -4.422   0.912
   39    HE1  TYR   5           HE2      TYR   5  62.388  -6.682  -2.259
   40    HE2  TYR   5           HE1      TYR   5  58.765  -6.691   0.053
   41    HH   TYR   5           HH       TYR   5  59.951  -8.002  -2.547
   42    H    TYR   6           HN       TYR   6  60.622  -3.850   3.269
   43    HA   TYR   6           HA       TYR   6  59.850  -1.313   4.427
   44   1HB   TYR   6           HB2      TYR   6  59.546  -4.218   5.128
   45   2HB   TYR   6           HB1      TYR   6  59.048  -2.969   6.273
   46    HD1  TYR   6           HD2      TYR   6  57.378  -1.246   5.602
   47    HD2  TYR   6           HD1      TYR   6  58.268  -4.639   3.123
   48    HE1  TYR   6           HE2      TYR   6  55.293  -0.857   4.321
   49    HE2  TYR   6           HE1      TYR   6  56.178  -4.245   1.838
   50    HH   TYR   6           HH       TYR   6  54.583  -2.604   1.396
   51    H    GLU   7           HN       GLU   7  62.472  -3.538   4.737
   52    HA   GLU   7           HA       GLU   7  63.478  -2.382   7.274
   53   1HB   GLU   7           HB2      GLU   7  63.595  -4.841   6.633
   54   2HB   GLU   7           HB1      GLU   7  64.716  -4.384   5.350
   55   1HG   GLU   7           HG2      GLU   7  66.430  -4.282   6.806
   56   2HG   GLU   7           HG1      GLU   7  65.529  -3.188   7.855
   57    H    ILE   8           HN       ILE   8  63.926  -2.256   3.786
   58    HA   ILE   8           HA       ILE   8  66.414  -1.090   3.413
   59    HB   ILE   8           HB       ILE   8  63.758  -1.024   2.151
   60   1HG1  ILE   8          HG12      ILE   8  66.551  -1.021   0.982
   61   2HG1  ILE   8          HG11      ILE   8  65.714  -2.474   1.521
   62   1HG2  ILE   8          HG22      ILE   8  64.258   1.437   2.350
   63   2HG2  ILE   8          HG21      ILE   8  65.692   1.159   1.371
   64   3HG2  ILE   8          HG23      ILE   8  64.090   0.853   0.701
   65   1HD1  ILE   8          HD13      ILE   8  63.800  -1.528  -0.072
   66   2HD1  ILE   8          HD12      ILE   8  65.170  -0.743  -0.847
   67   3HD1  ILE   8          HD11      ILE   8  65.124  -2.497  -0.712
   68    H    LEU   9           HN       LEU   9  63.397   0.476   4.267
   69    HA   LEU   9           HA       LEU   9  64.610   3.115   4.821
   70   1HB   LEU   9           HB2      LEU   9  61.888   1.799   4.967
   71   2HB   LEU   9           HB1      LEU   9  62.137   3.471   5.457
   72    HG   LEU   9           HG       LEU   9  61.564   3.825   3.279
   73   1HD1  LEU   9          HD13      LEU   9  64.483   3.112   3.001
   74   2HD1  LEU   9          HD12      LEU   9  63.551   3.973   1.778
   75   3HD1  LEU   9          HD11      LEU   9  63.810   4.700   3.363
   76   1HD2  LEU   9          HD21      LEU   9  62.154   0.998   3.037
   77   2HD2  LEU   9          HD23      LEU   9  60.971   1.975   2.171
   78   3HD2  LEU   9          HD22      LEU   9  62.634   1.897   1.598
   79    H    GLY  10           HN       GLY  10  63.775   0.196   6.486
   80   1HA   GLY  10           HA2      GLY  10  64.385  -0.356   8.729
   81   2HA   GLY  10           HA1      GLY  10  64.671   1.361   9.044
   82    H    VAL  11           HN       VAL  11  61.788   0.666   7.328
   83    HA   VAL  11           HA       VAL  11  60.187   1.536   9.664
   84    HB   VAL  11           HB       VAL  11  58.676   0.752   7.311
   85   1HG1  VAL  11          HG13      VAL  11  59.126   3.182   8.986
   86   2HG1  VAL  11          HG12      VAL  11  58.282   3.346   7.447
   87   3HG1  VAL  11          HG11      VAL  11  57.641   2.278   8.695
   88   1HG2  VAL  11          HG21      VAL  11  61.156   2.355   6.855
   89   2HG2  VAL  11          HG23      VAL  11  60.329   1.224   5.783
   90   3HG2  VAL  11          HG22      VAL  11  59.681   2.846   6.024
   91    H    SER  12           HN       SER  12  57.862   0.309   9.495
   92    HA   SER  12           HA       SER  12  58.420  -2.451  10.311
   93   1HB   SER  12           HB2      SER  12  55.834  -0.897  10.063
   94   2HB   SER  12           HB1      SER  12  56.066  -2.387  10.975
   95    HG   SER  12           HG       SER  12  56.722   0.210  11.600
   96    H    LYS  13           HN       LYS  13  57.739  -4.308   9.153
   97    HA   LYS  13           HA       LYS  13  57.672  -4.245   6.360
   98   1HB   LYS  13           HB2      LYS  13  56.641  -6.471   6.571
   99   2HB   LYS  13           HB1      LYS  13  57.966  -6.243   7.713
  100   1HG   LYS  13           HG2      LYS  13  56.006  -5.367   9.283
  101   2HG   LYS  13           HG1      LYS  13  55.022  -6.387   8.236
  102   1HD   LYS  13           HD2      LYS  13  56.154  -8.345   8.860
  103   2HD   LYS  13           HD1      LYS  13  57.570  -7.459   9.425
  104   1HE   LYS  13           HE2      LYS  13  55.163  -6.668  10.880
  105   2HE   LYS  13           HE1      LYS  13  55.505  -8.401  11.046
  106   1HZ   LYS  13           HZ3      LYS  13  57.666  -6.397  11.227
  107   2HZ   LYS  13           HZ2      LYS  13  56.736  -6.792  12.593
  108   3HZ   LYS  13           HZ1      LYS  13  57.647  -7.991  11.808
  109    H    THR  14           HN       THR  14  55.236  -3.353   8.618
  110    HA   THR  14           HA       THR  14  53.172  -3.232   6.471
  111    HB   THR  14           HB       THR  14  51.611  -3.382   8.245
  112    HG1  THR  14           HG1      THR  14  51.943  -2.345  10.026
  113   1HG2  THR  14          HG21      THR  14  53.190  -5.390   7.944
  114   2HG2  THR  14          HG23      THR  14  53.974  -4.848   9.427
  115   3HG2  THR  14          HG22      THR  14  52.275  -5.321   9.449
  116    H    ALA  15           HN       ALA  15  55.571  -1.314   7.350
  117    HA   ALA  15           HA       ALA  15  54.620   1.140   8.315
  118   1HB   ALA  15           HB3      ALA  15  56.952   0.414   7.878
  119   2HB   ALA  15           HB2      ALA  15  56.650   0.575   6.148
  120   3HB   ALA  15           HB1      ALA  15  56.600   1.994   7.188
  121    H    GLU  16           HN       GLU  16  55.469   2.710   5.952
  122    HA   GLU  16           HA       GLU  16  53.389   2.329   3.912
  123   1HB   GLU  16           HB2      GLU  16  53.459   4.789   5.695
  124   2HB   GLU  16           HB1      GLU  16  52.310   4.473   4.392
  125   1HG   GLU  16           HG2      GLU  16  51.600   2.394   5.642
  126   2HG   GLU  16           HG1      GLU  16  52.591   2.948   6.994
  127    H    GLU  17           HN       GLU  17  53.677   5.289   3.320
  128    HA   GLU  17           HA       GLU  17  56.199   5.066   1.791
  129   1HB   GLU  17           HB2      GLU  17  54.161   7.304   1.824
  130   2HB   GLU  17           HB1      GLU  17  55.277   6.881   0.527
  131   1HG   GLU  17           HG2      GLU  17  54.076   4.569   0.563
  132   2HG   GLU  17           HG1      GLU  17  52.802   5.424   1.432
  133    H    ARG  18           HN       ARG  18  54.793   7.886   3.441
  134    HA   ARG  18           HA       ARG  18  56.943   9.511   3.805
  135   1HB   ARG  18           HB2      ARG  18  55.780  10.140   5.993
  136   2HB   ARG  18           HB1      ARG  18  54.762  10.119   4.553
  137   1HG   ARG  18           HG2      ARG  18  54.313   7.619   5.228
  138   2HG   ARG  18           HG1      ARG  18  54.870   8.143   6.815
  139   1HD   ARG  18           HD2      ARG  18  52.694   9.601   5.282
  140   2HD   ARG  18           HD1      ARG  18  52.360   8.335   6.482
  141    HE   ARG  18           HE       ARG  18  53.682  10.944   7.070
  142   1HH1  ARG  18          HH21      ARG  18  52.994   7.774   8.151
  143   2HH1  ARG  18          HH22      ARG  18  52.632   8.252   9.776
  144   1HH2  ARG  18          HH11      ARG  18  52.922  11.644   9.131
  145   2HH2  ARG  18          HH12      ARG  18  52.588  10.440  10.329
  146    H    GLU  19           HN       GLU  19  56.166   6.963   6.210
  147    HA   GLU  19           HA       GLU  19  58.472   7.406   7.821
  148   1HB   GLU  19           HB2      GLU  19  57.833   5.040   8.589
  149   2HB   GLU  19           HB1      GLU  19  56.583   6.264   8.738
  150   1HG   GLU  19           HG2      GLU  19  56.401   5.146   6.117
  151   2HG   GLU  19           HG1      GLU  19  56.501   3.817   7.266
  152    H    ILE  20           HN       ILE  20  57.881   5.739   4.856
  153    HA   ILE  20           HA       ILE  20  60.398   4.203   4.966
  154    HB   ILE  20           HB       ILE  20  57.895   4.276   3.469
  155   1HG1  ILE  20          HG12      ILE  20  59.050   1.931   2.829
  156   2HG1  ILE  20          HG11      ILE  20  60.032   2.357   4.224
  157   1HG2  ILE  20          HG22      ILE  20  60.425   4.511   1.928
  158   2HG2  ILE  20          HG21      ILE  20  59.299   3.279   1.391
  159   3HG2  ILE  20          HG23      ILE  20  58.786   4.962   1.467
  160   1HD1  ILE  20          HD12      ILE  20  57.598   2.929   5.227
  161   2HD1  ILE  20          HD11      ILE  20  57.138   1.676   4.075
  162   3HD1  ILE  20          HD13      ILE  20  58.310   1.320   5.341
  163    H    ARG  21           HN       ARG  21  58.956   6.877   3.047
  164    HA   ARG  21           HA       ARG  21  61.404   7.467   1.636
  165   1HB   ARG  21           HB2      ARG  21  60.223   9.398   0.880
  166   2HB   ARG  21           HB1      ARG  21  58.965   8.196   1.149
  167   1HG   ARG  21           HG2      ARG  21  58.118  10.149   2.163
  168   2HG   ARG  21           HG1      ARG  21  58.763   9.222   3.510
  169   1HD   ARG  21           HD2      ARG  21  60.038  11.026   4.037
  170   2HD   ARG  21           HD1      ARG  21  60.928  10.764   2.523
  171    HE   ARG  21           HE       ARG  21  58.391  12.076   2.037
  172   1HH1  ARG  21          HH11      ARG  21  60.152  13.458   4.271
  173   2HH1  ARG  21          HH12      ARG  21  60.871  14.712   3.316
  174   1HH2  ARG  21          HH21      ARG  21  59.952  13.294   0.287
  175   2HH2  ARG  21          HH22      ARG  21  60.755  14.620   1.058
  176    H    LYS  22           HN       LYS  22  59.975   8.555   4.670
  177    HA   LYS  22           HA       LYS  22  61.749  10.566   5.477
  178   1HB   LYS  22           HB2      LYS  22  59.845  10.093   6.812
  179   2HB   LYS  22           HB1      LYS  22  60.185   8.363   6.829
  180   1HG   LYS  22           HG2      LYS  22  60.696   9.589   9.001
  181   2HG   LYS  22           HG1      LYS  22  62.026   8.641   8.336
  182   1HD   LYS  22           HD2      LYS  22  63.053  10.686   8.875
  183   2HD   LYS  22           HD1      LYS  22  62.719  10.858   7.154
  184   1HE   LYS  22           HE2      LYS  22  61.204  12.530   7.503
  185   2HE   LYS  22           HE1      LYS  22  60.487  11.702   8.899
  186   1HZ   LYS  22           HZ1      LYS  22  63.215  12.824   9.031
  187   2HZ   LYS  22           HZ3      LYS  22  61.865  13.803   9.342
  188   3HZ   LYS  22           HZ2      LYS  22  62.164  12.437  10.307
  189    H    ALA  23           HN       ALA  23  61.992   7.050   5.893
  190    HA   ALA  23           HA       ALA  23  64.560   7.012   7.168
  191   1HB   ALA  23           HB1      ALA  23  62.617   5.181   5.913
  192   2HB   ALA  23           HB3      ALA  23  64.278   4.590   5.935
  193   3HB   ALA  23           HB2      ALA  23  63.477   5.026   7.445
  194    H    TYR  24           HN       TYR  24  63.595   7.038   3.749
  195    HA   TYR  24           HA       TYR  24  66.294   6.432   2.802
  196   1HB   TYR  24           HB2      TYR  24  64.219   5.743   1.605
  197   2HB   TYR  24           HB1      TYR  24  63.779   7.439   1.410
  198    HD1  TYR  24           HD2      TYR  24  67.199   5.989   1.173
  199    HD2  TYR  24           HD1      TYR  24  63.872   7.673  -0.958
  200    HE1  TYR  24           HE2      TYR  24  68.581   6.116  -0.883
  201    HE2  TYR  24           HE1      TYR  24  65.252   7.800  -3.014
  202    HH   TYR  24           HH       TYR  24  67.185   6.978  -3.983
  203    H    LYS  25           HN       LYS  25  64.081   9.202   2.990
  204    HA   LYS  25           HA       LYS  25  65.961  11.117   1.937
  205   1HB   LYS  25           HB2      LYS  25  63.859  11.944   1.749
  206   2HB   LYS  25           HB1      LYS  25  63.257  10.874   3.001
  207   1HG   LYS  25           HG2      LYS  25  64.934  13.162   3.903
  208   2HG   LYS  25           HG1      LYS  25  63.310  13.531   3.323
  209   1HD   LYS  25           HD2      LYS  25  62.280  12.214   4.940
  210   2HD   LYS  25           HD1      LYS  25  63.728  11.248   5.217
  211   1HE   LYS  25           HE2      LYS  25  63.441  12.742   7.131
  212   2HE   LYS  25           HE1      LYS  25  64.819  13.337   6.183
  213   1HZ   LYS  25           HZ2      LYS  25  62.893  14.557   4.901
  214   2HZ   LYS  25           HZ1      LYS  25  62.109  14.423   6.401
  215   3HZ   LYS  25           HZ3      LYS  25  63.592  15.239   6.290
  216    H    ARG  26           HN       ARG  26  65.801   9.425   4.867
  217    HA   ARG  26           HA       ARG  26  66.974  11.566   6.523
  218   1HB   ARG  26           HB2      ARG  26  65.827   8.868   6.830
  219   2HB   ARG  26           HB1      ARG  26  67.162   9.223   7.929
  220   1HG   ARG  26           HG2      ARG  26  65.880  11.527   8.203
  221   2HG   ARG  26           HG1      ARG  26  64.502  10.556   7.698
  222   1HD   ARG  26           HD2      ARG  26  64.631  10.477  10.131
  223   2HD   ARG  26           HD1      ARG  26  65.127   8.890   9.509
  224    HE   ARG  26           HE       ARG  26  67.437  10.540   9.617
  225   1HH1  ARG  26          HH21      ARG  26  66.051   7.961  11.139
  226   2HH1  ARG  26          HH22      ARG  26  66.733   8.257  12.704
  227   1HH2  ARG  26          HH11      ARG  26  67.934  11.404  11.875
  228   2HH2  ARG  26          HH12      ARG  26  67.801  10.206  13.121
  229    H    LEU  27           HN       LEU  27  67.988   8.314   5.398
  230    HA   LEU  27           HA       LEU  27  70.776   8.831   6.119
  231   1HB   LEU  27           HB2      LEU  27  70.986   6.568   5.793
  232   2HB   LEU  27           HB1      LEU  27  69.234   6.613   5.938
  233    HG   LEU  27           HG       LEU  27  70.546   6.917   3.234
  234   1HD1  LEU  27          HD12      LEU  27  71.027   4.728   4.871
  235   2HD1  LEU  27          HD11      LEU  27  69.665   4.212   3.877
  236   3HD1  LEU  27          HD13      LEU  27  71.159   4.756   3.112
  237   1HD2  LEU  27          HD22      LEU  27  67.947   7.059   4.056
  238   2HD2  LEU  27          HD21      LEU  27  68.437   6.555   2.441
  239   3HD2  LEU  27          HD23      LEU  27  68.080   5.344   3.672
  240    H    ALA  28           HN       ALA  28  68.845   8.594   3.178
  241    HA   ALA  28           HA       ALA  28  70.961   8.901   1.300
  242   1HB   ALA  28           HB3      ALA  28  68.503   8.101   1.128
  243   2HB   ALA  28           HB2      ALA  28  68.111   9.811   0.946
  244   3HB   ALA  28           HB1      ALA  28  69.162   9.017  -0.229
  245    H    MET  29           HN       MET  29  68.896  11.362   2.927
  246    HA   MET  29           HA       MET  29  69.806  13.577   1.362
  247   1HB   MET  29           HB2      MET  29  69.050  14.911   3.255
  248   2HB   MET  29           HB1      MET  29  67.949  13.544   3.081
  249   1HG   MET  29           HG2      MET  29  69.276  12.319   4.797
  250   2HG   MET  29           HG1      MET  29  70.260  13.760   5.028
  251   1HE   MET  29           HE3      MET  29  70.164  14.821   6.707
  252   2HE   MET  29           HE2      MET  29  68.829  15.574   7.573
  253   3HE   MET  29           HE1      MET  29  69.280  13.911   7.940
  254    H    LYS  30           HN       LYS  30  71.214  11.808   4.057
  255    HA   LYS  30           HA       LYS  30  73.564  13.597   4.216
  256   1HB   LYS  30           HB2      LYS  30  72.516  11.153   5.644
  257   2HB   LYS  30           HB1      LYS  30  74.177  11.688   5.900
  258   1HG   LYS  30           HG2      LYS  30  73.534  13.481   7.136
  259   2HG   LYS  30           HG1      LYS  30  72.195  13.860   6.051
  260   1HD   LYS  30           HD2      LYS  30  71.055  13.207   7.982
  261   2HD   LYS  30           HD1      LYS  30  71.119  11.695   7.079
  262   1HE   LYS  30           HE2      LYS  30  71.907  10.972   9.152
  263   2HE   LYS  30           HE1      LYS  30  73.440  11.434   8.386
  264   1HZ   LYS  30           HZ2      LYS  30  73.170  13.666   9.300
  265   2HZ   LYS  30           HZ1      LYS  30  71.737  13.188  10.078
  266   3HZ   LYS  30           HZ3      LYS  30  73.220  12.505  10.540
  267    H    TYR  31           HN       TYR  31  72.526  10.797   2.508
  268    HA   TYR  31           HA       TYR  31  75.323   9.931   1.931
  269   1HB   TYR  31           HB2      TYR  31  72.664   8.706   2.122
  270   2HB   TYR  31           HB1      TYR  31  73.556   8.195   0.688
  271    HD1  TYR  31           HD1      TYR  31  76.360   8.412   1.752
  272    HD2  TYR  31           HD2      TYR  31  72.792   6.775   3.492
  273    HE1  TYR  31           HE1      TYR  31  77.737   6.909   3.156
  274    HE2  TYR  31           HE2      TYR  31  74.168   5.270   4.897
  275    HH   TYR  31           HH       TYR  31  77.562   4.865   4.384
  276    H    HIS  32           HN       HIS  32  73.444  12.174   0.774
  277    HA   HIS  32           HA       HIS  32  72.939  11.792  -1.959
  278   1HB   HIS  32           HB2      HIS  32  72.836  14.230  -1.863
  279   2HB   HIS  32           HB1      HIS  32  72.277  13.578  -0.340
  280    HD1  HIS  32           HD1      HIS  32  73.259  14.641   1.647
  281    HD2  HIS  32           HD2      HIS  32  75.938  14.694  -1.542
  282    HE1  HIS  32           HE1      HIS  32  75.330  15.840   2.469
  283    HA   PRO  33           HA       PRO  33  76.706  12.234  -4.142
  284   1HB   PRO  33           HB2      PRO  33  77.376  14.793  -4.869
  285   2HB   PRO  33           HB1      PRO  33  76.117  13.838  -5.675
  286   1HG   PRO  33           HG2      PRO  33  75.851  15.974  -3.631
  287   2HG   PRO  33           HG1      PRO  33  74.837  15.624  -5.037
  288   1HD   PRO  33           HD2      PRO  33  74.186  14.982  -2.506
  289   2HD   PRO  33           HD1      PRO  33  73.602  14.072  -3.916
  290    H    ASP  34           HN       ASP  34  77.112  12.000  -1.536
  291    HA   ASP  34           HA       ASP  34  79.433  13.745  -0.803
  292   1HB   ASP  34           HB2      ASP  34  78.921  13.048   1.475
  293   2HB   ASP  34           HB1      ASP  34  77.395  13.517   0.726
  294    H    ARG  35           HN       ARG  35  78.199  10.490  -1.256
  295    HA   ARG  35           HA       ARG  35  80.982   9.470  -1.527
  296   1HB   ARG  35           HB2      ARG  35  80.249   7.485  -0.220
  297   2HB   ARG  35           HB1      ARG  35  80.106   8.963   0.733
  298   1HG   ARG  35           HG2      ARG  35  78.036   7.916   1.095
  299   2HG   ARG  35           HG1      ARG  35  77.674   9.041  -0.214
  300   1HD   ARG  35           HD2      ARG  35  76.955   7.274  -1.411
  301   2HD   ARG  35           HD1      ARG  35  78.635   6.720  -1.472
  302    HE   ARG  35           HE       ARG  35  78.238   5.347   0.486
  303   1HH1  ARG  35          HH11      ARG  35  75.524   7.320  -0.305
  304   2HH1  ARG  35          HH12      ARG  35  74.373   6.251   0.420
  305   1HH2  ARG  35          HH21      ARG  35  76.726   3.860   1.286
  306   2HH2  ARG  35          HH22      ARG  35  75.051   4.298   1.319
  307    H    ASN  36           HN       ASN  36  77.506   9.290  -2.289
  308    HA   ASN  36           HA       ASN  36  77.198   7.050  -3.858
  309   1HB   ASN  36           HB2      ASN  36  76.464   9.940  -4.444
  310   2HB   ASN  36           HB1      ASN  36  75.775   8.562  -5.290
  311   1HD2  ASN  36          HD22      ASN  36  74.457   7.521  -1.838
  312   2HD2  ASN  36          HD21      ASN  36  75.748   6.900  -2.745
  313    H    GLN  37           HN       GLN  37  79.161   9.869  -4.556
  314    HA   GLN  37           HA       GLN  37  79.675   9.608  -7.304
  315   1HB   GLN  37           HB2      GLN  37  81.720  10.247  -5.158
  316   2HB   GLN  37           HB1      GLN  37  81.653  10.889  -6.799
  317   1HG   GLN  37           HG2      GLN  37  79.142  11.479  -5.671
  318   2HG   GLN  37           HG1      GLN  37  80.319  11.852  -4.411
  319   1HE2  GLN  37          HE22      GLN  37  81.185  14.870  -5.982
  320   2HE2  GLN  37          HE21      GLN  37  80.967  13.999  -4.542
  321    H    GLY  38           HN       GLY  38  80.615   7.533  -4.678
  322   1HA   GLY  38           HA2      GLY  38  82.450   6.034  -6.506
  323   2HA   GLY  38           HA1      GLY  38  82.552   5.981  -4.744
  324    H    ASP  39           HN       ASP  39  79.724   5.715  -6.889
  325    HA   ASP  39           HA       ASP  39  78.812   3.354  -5.373
  326   1HB   ASP  39           HB2      ASP  39  76.777   3.733  -6.755
  327   2HB   ASP  39           HB1      ASP  39  77.305   5.206  -5.947
  328    H    LYS  40           HN       LYS  40  80.855   2.195  -6.350
  329    HA   LYS  40           HA       LYS  40  80.564   1.318  -9.155
  330   1HB   LYS  40           HB2      LYS  40  82.533   1.224  -6.943
  331   2HB   LYS  40           HB1      LYS  40  82.572  -0.155  -8.042
  332   1HG   LYS  40           HG2      LYS  40  83.412   1.082  -9.749
  333   2HG   LYS  40           HG1      LYS  40  82.337   2.440  -9.409
  334   1HD   LYS  40           HD2      LYS  40  83.842   3.458  -8.010
  335   2HD   LYS  40           HD1      LYS  40  84.489   1.926  -7.422
  336   1HE   LYS  40           HE2      LYS  40  85.070   2.197 -10.243
  337   2HE   LYS  40           HE1      LYS  40  85.664   3.617  -9.358
  338   1HZ   LYS  40           HZ1      LYS  40  86.642   2.119  -7.713
  339   2HZ   LYS  40           HZ3      LYS  40  86.125   0.776  -8.610
  340   3HZ   LYS  40           HZ2      LYS  40  87.286   1.834  -9.259
  341    H    GLU  41           HN       GLU  41  78.714   0.566  -6.715
  342    HA   GLU  41           HA       GLU  41  77.929  -2.031  -7.598
  343   1HB   GLU  41           HB2      GLU  41  78.868  -3.067  -5.288
  344   2HB   GLU  41           HB1      GLU  41  79.813  -3.092  -6.775
  345   1HG   GLU  41           HG2      GLU  41  81.269  -1.479  -6.040
  346   2HG   GLU  41           HG1      GLU  41  80.038  -0.637  -5.106
  347    H    ALA  42           HN       ALA  42  78.415  -0.367  -4.455
  348    HA   ALA  42           HA       ALA  42  75.892  -1.097  -3.322
  349   1HB   ALA  42           HB2      ALA  42  78.182   0.640  -2.807
  350   2HB   ALA  42           HB1      ALA  42  76.674   1.398  -2.298
  351   3HB   ALA  42           HB3      ALA  42  77.131  -0.178  -1.651
  352    H    GLU  43           HN       GLU  43  76.747   1.045  -5.864
  353    HA   GLU  43           HA       GLU  43  75.111   3.244  -5.862
  354   1HB   GLU  43           HB2      GLU  43  74.840   2.919  -8.237
  355   2HB   GLU  43           HB1      GLU  43  76.412   2.254  -7.801
  356   1HG   GLU  43           HG2      GLU  43  75.284  -0.008  -7.619
  357   2HG   GLU  43           HG1      GLU  43  73.848   0.738  -8.320
  358    H    ALA  44           HN       ALA  44  74.048  -0.091  -6.292
  359    HA   ALA  44           HA       ALA  44  71.399   0.612  -6.928
  360   1HB   ALA  44           HB2      ALA  44  72.750  -1.895  -5.926
  361   2HB   ALA  44           HB1      ALA  44  71.034  -1.871  -6.334
  362   3HB   ALA  44           HB3      ALA  44  72.240  -1.522  -7.573
  363    H    LYS  45           HN       LYS  45  72.832  -0.541  -3.848
  364    HA   LYS  45           HA       LYS  45  70.616  -0.657  -2.201
  365   1HB   LYS  45           HB2      LYS  45  72.777  -1.083  -1.300
  366   2HB   LYS  45           HB1      LYS  45  73.376   0.512  -1.777
  367   1HG   LYS  45           HG2      LYS  45  71.756   1.556  -0.192
  368   2HG   LYS  45           HG1      LYS  45  71.254  -0.055   0.322
  369   1HD   LYS  45           HD2      LYS  45  73.738  -0.479   0.847
  370   2HD   LYS  45           HD1      LYS  45  73.945   1.267   0.695
  371   1HE   LYS  45           HE2      LYS  45  73.524   0.571   3.063
  372   2HE   LYS  45           HE1      LYS  45  72.240   1.632   2.448
  373   1HZ   LYS  45           HZ3      LYS  45  72.009  -1.258   2.001
  374   2HZ   LYS  45           HZ2      LYS  45  71.654  -0.658   3.550
  375   3HZ   LYS  45           HZ1      LYS  45  70.788  -0.098   2.201
  376    H    PHE  46           HN       PHE  46  72.040   2.189  -3.678
  377    HA   PHE  46           HA       PHE  46  70.695   4.183  -2.089
  378   1HB   PHE  46           HB2      PHE  46  71.677   4.262  -4.964
  379   2HB   PHE  46           HB1      PHE  46  71.412   5.657  -3.919
  380    HD1  PHE  46           HD1      PHE  46  72.458   3.900  -1.425
  381    HD2  PHE  46           HD2      PHE  46  74.051   5.020  -5.254
  382    HE1  PHE  46           HE1      PHE  46  74.759   3.670  -0.536
  383    HE2  PHE  46           HE2      PHE  46  76.354   4.790  -4.363
  384    HZ   PHE  46           HZ       PHE  46  76.707   4.115  -2.002
  385    H    LYS  47           HN       LYS  47  69.949   2.856  -5.357
  386    HA   LYS  47           HA       LYS  47  67.283   4.127  -5.236
  387   1HB   LYS  47           HB2      LYS  47  67.349   3.836  -7.515
  388   2HB   LYS  47           HB1      LYS  47  69.061   3.533  -7.242
  389   1HG   LYS  47           HG2      LYS  47  66.985   1.326  -7.189
  390   2HG   LYS  47           HG1      LYS  47  67.849   1.793  -8.652
  391   1HD   LYS  47           HD2      LYS  47  69.845   1.543  -6.702
  392   2HD   LYS  47           HD1      LYS  47  68.772   0.171  -6.427
  393   1HE   LYS  47           HE2      LYS  47  70.226   0.897  -8.987
  394   2HE   LYS  47           HE1      LYS  47  70.302  -0.623  -8.076
  395   1HZ   LYS  47           HZ1      LYS  47  67.686  -0.429  -8.472
  396   2HZ   LYS  47           HZ3      LYS  47  68.229   0.357  -9.873
  397   3HZ   LYS  47           HZ2      LYS  47  68.721  -1.237  -9.552
  398    H    GLU  48           HN       GLU  48  68.792   1.031  -4.731
  399    HA   GLU  48           HA       GLU  48  66.700  -0.828  -4.842
  400   1HB   GLU  48           HB2      GLU  48  68.980  -0.308  -2.922
  401   2HB   GLU  48           HB1      GLU  48  67.935  -1.708  -2.715
  402   1HG   GLU  48           HG2      GLU  48  69.459  -1.066  -5.251
  403   2HG   GLU  48           HG1      GLU  48  69.998  -2.214  -4.028
  404    H    ILE  49           HN       ILE  49  67.546   1.599  -2.489
  405    HA   ILE  49           HA       ILE  49  65.469   1.058  -0.550
  406    HB   ILE  49           HB       ILE  49  67.129   3.457  -1.291
  407   1HG1  ILE  49          HG12      ILE  49  67.454   1.709   1.130
  408   2HG1  ILE  49          HG11      ILE  49  68.152   1.236  -0.419
  409   1HG2  ILE  49          HG23      ILE  49  65.265   3.002   1.024
  410   2HG2  ILE  49          HG22      ILE  49  66.569   4.187   1.089
  411   3HG2  ILE  49          HG21      ILE  49  65.287   4.351  -0.111
  412   1HD1  ILE  49          HD11      ILE  49  69.015   3.782  -0.335
  413   2HD1  ILE  49          HD13      ILE  49  68.914   3.470   1.398
  414   3HD1  ILE  49          HD12      ILE  49  69.930   2.453   0.377
  415    H    LYS  50           HN       LYS  50  65.898   3.467  -3.107
  416    HA   LYS  50           HA       LYS  50  63.356   4.760  -2.858
  417   1HB   LYS  50           HB2      LYS  50  65.090   5.814  -4.101
  418   2HB   LYS  50           HB1      LYS  50  65.382   4.370  -5.070
  419   1HG   LYS  50           HG2      LYS  50  62.638   5.487  -5.215
  420   2HG   LYS  50           HG1      LYS  50  63.908   6.464  -5.954
  421   1HD   LYS  50           HD2      LYS  50  64.629   4.065  -6.920
  422   2HD   LYS  50           HD1      LYS  50  62.901   3.768  -6.726
  423   1HE   LYS  50           HE2      LYS  50  62.371   5.731  -8.097
  424   2HE   LYS  50           HE1      LYS  50  64.099   6.117  -8.242
  425   1HZ   LYS  50           HZ1      LYS  50  63.275   3.388  -8.874
  426   2HZ   LYS  50           HZ3      LYS  50  62.860   4.587 -10.000
  427   3HZ   LYS  50           HZ2      LYS  50  64.488   4.346  -9.581
  428    H    GLU  51           HN       GLU  51  64.400   1.830  -4.501
  429    HA   GLU  51           HA       GLU  51  62.126   1.387  -6.182
  430   1HB   GLU  51           HB2      GLU  51  64.312   0.223  -6.313
  431   2HB   GLU  51           HB1      GLU  51  64.000  -0.535  -4.751
  432   1HG   GLU  51           HG2      GLU  51  61.884  -1.508  -5.784
  433   2HG   GLU  51           HG1      GLU  51  62.501  -0.964  -7.344
  434    H    ALA  52           HN       ALA  52  62.870   0.341  -2.861
  435    HA   ALA  52           HA       ALA  52  60.862  -1.309  -2.050
  436   1HB   ALA  52           HB1      ALA  52  61.748   1.276  -0.739
  437   2HB   ALA  52           HB3      ALA  52  61.011  -0.091   0.099
  438   3HB   ALA  52           HB2      ALA  52  62.596  -0.266  -0.654
  439    H    TYR  53           HN       TYR  53  60.381   2.077  -2.963
  440    HA   TYR  53           HA       TYR  53  57.778   2.458  -1.901
  441   1HB   TYR  53           HB2      TYR  53  58.999   3.505  -4.472
  442   2HB   TYR  53           HB1      TYR  53  57.693   4.264  -3.563
  443    HD1  TYR  53           HD2      TYR  53  59.470   2.936  -1.000
  444    HD2  TYR  53           HD1      TYR  53  59.945   5.943  -4.029
  445    HE1  TYR  53           HE2      TYR  53  61.146   4.058   0.397
  446    HE2  TYR  53           HE1      TYR  53  61.617   7.082  -2.611
  447    HH   TYR  53           HH       TYR  53  62.731   5.669   0.444
  448    H    GLU  54           HN       GLU  54  58.853   0.826  -4.836
  449    HA   GLU  54           HA       GLU  54  56.364   0.543  -6.188
  450   1HB   GLU  54           HB2      GLU  54  57.488  -1.554  -7.037
  451   2HB   GLU  54           HB1      GLU  54  58.517  -0.123  -7.134
  452   1HG   GLU  54           HG2      GLU  54  60.049  -1.241  -5.927
  453   2HG   GLU  54           HG1      GLU  54  58.939  -1.147  -4.561
  454    H    VAL  55           HN       VAL  55  57.572  -0.748  -3.234
  455    HA   VAL  55           HA       VAL  55  55.516  -2.862  -3.188
  456    HB   VAL  55           HB       VAL  55  58.250  -2.576  -2.490
  457   1HG1  VAL  55          HG13      VAL  55  56.420  -2.985  -0.151
  458   2HG1  VAL  55          HG12      VAL  55  58.002  -3.753  -0.199
  459   3HG1  VAL  55          HG11      VAL  55  57.877  -1.999  -0.266
  460   1HG2  VAL  55          HG21      VAL  55  56.793  -4.515  -3.479
  461   2HG2  VAL  55          HG23      VAL  55  58.231  -4.889  -2.530
  462   3HG2  VAL  55          HG22      VAL  55  56.633  -4.991  -1.789
  463    H    LEU  56           HN       LEU  56  56.913  -0.563  -0.813
  464    HA   LEU  56           HA       LEU  56  54.576  -0.802   0.902
  465   1HB   LEU  56           HB2      LEU  56  55.781   1.020   2.143
  466   2HB   LEU  56           HB1      LEU  56  56.767  -0.407   1.797
  467    HG   LEU  56           HG       LEU  56  57.005   1.238  -0.466
  468   1HD1  LEU  56          HD13      LEU  56  56.049   3.025   1.029
  469   2HD1  LEU  56          HD12      LEU  56  57.456   2.819   2.068
  470   3HD1  LEU  56          HD11      LEU  56  57.661   3.384   0.411
  471   1HD2  LEU  56          HD21      LEU  56  58.708   0.416   1.865
  472   2HD2  LEU  56          HD23      LEU  56  58.853  -0.037   0.172
  473   3HD2  LEU  56          HD22      LEU  56  59.353   1.568   0.696
  474    H    THR  57           HN       THR  57  55.468   1.535  -1.625
  475    HA   THR  57           HA       THR  57  53.283   3.337  -0.752
  476    HB   THR  57           HB       THR  57  54.155   4.833  -2.392
  477    HG1  THR  57           HG1      THR  57  55.963   3.647  -3.734
  478   1HG2  THR  57          HG22      THR  57  56.316   3.179  -1.090
  479   2HG2  THR  57          HG21      THR  57  56.703   4.605  -2.049
  480   3HG2  THR  57          HG23      THR  57  55.706   4.758  -0.605
  481    H    ASP  58           HN       ASP  58  52.849   0.525  -1.735
  482    HA   ASP  58           HA       ASP  58  50.701   1.140  -3.678
  483   1HB   ASP  58           HB2      ASP  58  53.216  -0.122  -4.263
  484   2HB   ASP  58           HB1      ASP  58  51.940  -1.336  -4.401
  485    H    SER  59           HN       SER  59  48.948   0.422  -2.712
  486    HA   SER  59           HA       SER  59  48.853  -1.153  -0.446
  487   1HB   SER  59           HB2      SER  59  46.863  -0.726  -2.675
  488   2HB   SER  59           HB1      SER  59  46.437  -1.476  -1.138
  489    HG   SER  59           HG       SER  59  46.457   0.426  -0.249
  490    H    GLN  60           HN       GLN  60  49.520  -2.244  -3.635
  491    HA   GLN  60           HA       GLN  60  48.430  -4.919  -3.408
  492   1HB   GLN  60           HB2      GLN  60  49.396  -3.304  -5.382
  493   2HB   GLN  60           HB1      GLN  60  50.759  -4.399  -5.159
  494   1HG   GLN  60           HG2      GLN  60  49.395  -6.326  -5.583
  495   2HG   GLN  60           HG1      GLN  60  47.914  -5.371  -5.507
  496   1HE2  GLN  60          HE22      GLN  60  50.116  -5.421  -8.945
  497   2HE2  GLN  60          HE21      GLN  60  50.705  -6.163  -7.536
  498    H    LYS  61           HN       LYS  61  51.802  -3.685  -3.189
  499    HA   LYS  61           HA       LYS  61  52.819  -6.266  -2.280
  500   1HB   LYS  61           HB2      LYS  61  54.308  -3.694  -1.993
  501   2HB   LYS  61           HB1      LYS  61  54.900  -5.269  -2.499
  502   1HG   LYS  61           HG2      LYS  61  53.312  -3.265  -4.111
  503   2HG   LYS  61           HG1      LYS  61  54.887  -3.955  -4.477
  504   1HD   LYS  61           HD2      LYS  61  52.753  -5.974  -4.187
  505   2HD   LYS  61           HD1      LYS  61  52.520  -4.862  -5.533
  506   1HE   LYS  61           HE2      LYS  61  54.959  -5.338  -6.168
  507   2HE   LYS  61           HE1      LYS  61  54.876  -6.691  -5.022
  508   1HZ   LYS  61           HZ2      LYS  61  52.746  -7.318  -6.177
  509   2HZ   LYS  61           HZ1      LYS  61  53.168  -6.215  -7.400
  510   3HZ   LYS  61           HZ3      LYS  61  54.163  -7.552  -7.086
  511    H    ARG  62           HN       ARG  62  52.366  -3.094  -0.646
  512    HA   ARG  62           HA       ARG  62  53.308  -3.880   1.895
  513   1HB   ARG  62           HB2      ARG  62  51.922  -2.022   2.707
  514   2HB   ARG  62           HB1      ARG  62  52.631  -1.582   1.152
  515   1HG   ARG  62           HG2      ARG  62  50.619  -1.679   0.051
  516   2HG   ARG  62           HG1      ARG  62  49.988  -2.952   1.088
  517   1HD   ARG  62           HD2      ARG  62  50.484  -0.239   2.280
  518   2HD   ARG  62           HD1      ARG  62  49.015  -0.511   1.321
  519    HE   ARG  62           HE       ARG  62  48.512  -2.433   2.849
  520   1HH1  ARG  62          HH21      ARG  62  50.904  -3.000   4.298
  521   2HH1  ARG  62          HH22      ARG  62  50.773  -2.071   5.754
  522   1HH2  ARG  62          HH11      ARG  62  48.312   0.028   4.508
  523   2HH2  ARG  62          HH12      ARG  62  49.309  -0.354   5.871
  524    H    ALA  63           HN       ALA  63  50.430  -4.764   0.193
  525    HA   ALA  63           HA       ALA  63  49.086  -5.872   2.582
  526   1HB   ALA  63           HB2      ALA  63  48.526  -5.600  -0.375
  527   2HB   ALA  63           HB1      ALA  63  47.541  -6.679   0.614
  528   3HB   ALA  63           HB3      ALA  63  47.603  -4.956   0.982
  529    H    ALA  64           HN       ALA  64  51.220  -6.777   0.022
  530    HA   ALA  64           HA       ALA  64  50.815  -9.680   0.337
  531   1HB   ALA  64           HB3      ALA  64  51.496  -8.143  -1.741
  532   2HB   ALA  64           HB2      ALA  64  53.119  -8.401  -1.098
  533   3HB   ALA  64           HB1      ALA  64  52.132  -9.781  -1.584
  534    H    TYR  65           HN       TYR  65  53.297  -7.204   1.035
  535    HA   TYR  65           HA       TYR  65  55.228  -8.918   2.242
  536   1HB   TYR  65           HB2      TYR  65  55.071  -6.320   1.549
  537   2HB   TYR  65           HB1      TYR  65  54.760  -6.159   3.281
  538    HD1  TYR  65           HD2      TYR  65  57.094  -7.917   0.923
  539    HD2  TYR  65           HD1      TYR  65  56.566  -6.043   4.752
  540    HE1  TYR  65           HE2      TYR  65  59.510  -8.213   1.401
  541    HE2  TYR  65           HE1      TYR  65  58.982  -6.339   5.230
  542    HH   TYR  65           HH       TYR  65  60.830  -8.076   4.342
  543    H    ASP  66           HN       ASP  66  52.539  -7.038   3.682
  544    HA   ASP  66           HA       ASP  66  52.966  -7.751   6.394
  545   1HB   ASP  66           HB2      ASP  66  50.903  -6.727   6.690
  546   2HB   ASP  66           HB1      ASP  66  51.277  -6.151   5.067
  547    H    GLN  67           HN       GLN  67  51.710  -9.614   3.723
  548    HA   GLN  67           HA       GLN  67  50.577 -11.713   5.476
  549   1HB   GLN  67           HB2      GLN  67  50.861 -11.346   2.476
  550   2HB   GLN  67           HB1      GLN  67  50.037 -12.715   3.225
  551   1HG   GLN  67           HG2      GLN  67  49.293  -9.833   3.777
  552   2HG   GLN  67           HG1      GLN  67  48.513 -10.810   2.534
  553   1HE2  GLN  67          HE22      GLN  67  46.681 -11.108   5.858
  554   2HE2  GLN  67          HE21      GLN  67  47.209  -9.756   4.978
  555    H    TYR  68           HN       TYR  68  53.611 -10.909   4.181
  556    HA   TYR  68           HA       TYR  68  55.634 -12.123   4.019
  557   1HB   TYR  68           HB2      TYR  68  53.924 -13.376   6.100
  558   2HB   TYR  68           HB1      TYR  68  55.291 -14.348   5.542
  559    HD1  TYR  68           HD1      TYR  68  57.535 -12.843   5.188
  560    HD2  TYR  68           HD2      TYR  68  54.328 -11.990   7.916
  561    HE1  TYR  68           HE1      TYR  68  59.070 -11.461   6.561
  562    HE2  TYR  68           HE2      TYR  68  55.862 -10.608   9.289
  563    HH   TYR  68           HH       TYR  68  58.597  -9.364   8.297
  564    H    GLY  69           HN       GLY  69  53.692 -12.565   1.931
  565   1HA   GLY  69           HA2      GLY  69  54.008 -14.062   0.034
  566   2HA   GLY  69           HA1      GLY  69  54.446 -15.344   1.167
  567    H    HIS  70           HN       HIS  70  52.449 -15.757  -0.778
  568    HA   HIS  70           HA       HIS  70  49.800 -15.277   0.303
  569   1HB   HIS  70           HB2      HIS  70  49.103 -16.534  -1.605
  570   2HB   HIS  70           HB1      HIS  70  50.568 -15.693  -2.119
  571    HD1  HIS  70           HD1      HIS  70  49.507 -18.486  -3.283
  572    HD2  HIS  70           HD2      HIS  70  52.572 -17.995  -0.504
  573    HE1  HIS  70           HE1      HIS  70  50.948 -20.563  -3.435
  574    H    ALA  71           HN       ALA  71  52.245 -17.285   1.356
  575    HA   ALA  71           HA       ALA  71  50.882 -19.749   1.920
  576   1HB   ALA  71           HB2      ALA  71  53.404 -18.480   2.346
  577   2HB   ALA  71           HB1      ALA  71  52.848 -19.087   3.906
  578   3HB   ALA  71           HB3      ALA  71  53.011 -20.189   2.538
  579    H    ALA  72           HN       ALA  72  51.234 -16.713   3.758
  580    HA   ALA  72           HA       ALA  72  50.018 -17.609   6.189
  581   1HB   ALA  72           HB3      ALA  72  50.680 -15.059   4.811
  582   2HB   ALA  72           HB2      ALA  72  49.474 -14.955   6.095
  583   3HB   ALA  72           HB1      ALA  72  51.083 -15.589   6.443
  584    H    PHE  73           HN       PHE  73  48.658 -17.036   3.086
  585    HA   PHE  73           HA       PHE  73  45.924 -16.659   4.246
  586   1HB   PHE  73           HB2      PHE  73  47.418 -15.644   1.982
  587   2HB   PHE  73           HB1      PHE  73  45.919 -16.402   1.432
  588    HD1  PHE  73           HD1      PHE  73  44.019 -15.925   3.550
  589    HD2  PHE  73           HD2      PHE  73  47.098 -13.328   2.055
  590    HE1  PHE  73           HE1      PHE  73  42.733 -13.953   4.328
  591    HE2  PHE  73           HE2      PHE  73  45.812 -11.356   2.832
  592    HZ   PHE  73           HZ       PHE  73  43.628 -11.668   3.968
  593    H    GLU  74           HN       GLU  74  47.897 -18.793   2.236
  594    HA   GLU  74           HA       GLU  74  45.685 -20.801   2.326
  595   1HB   GLU  74           HB2      GLU  74  47.340 -20.150  -0.130
  596   2HB   GLU  74           HB1      GLU  74  45.922 -21.197  -0.045
  597   1HG   GLU  74           HG2      GLU  74  44.746 -19.028   0.889
  598   2HG   GLU  74           HG1      GLU  74  46.072 -18.202   0.068
  599    H    GLN  75           HN       GLN  75  46.698 -22.967   1.328
  600    HA   GLN  75           HA       GLN  75  49.473 -23.273   2.428
  601   1HB   GLN  75           HB2      GLN  75  47.003 -25.017   2.641
  602   2HB   GLN  75           HB1      GLN  75  48.615 -25.587   3.076
  603   1HG   GLN  75           HG2      GLN  75  47.945 -22.978   4.248
  604   2HG   GLN  75           HG1      GLN  75  46.886 -24.283   4.785
  605   1HE2  GLN  75          HE22      GLN  75  49.380 -25.105   7.149
  606   2HE2  GLN  75          HE21      GLN  75  47.779 -24.603   6.889
  607    H    GLY  76           HN       GLY  76  50.717 -25.012   1.377
  608   1HA   GLY  76           HA2      GLY  76  50.340 -25.073  -1.488
  609   2HA   GLY  76           HA1      GLY  76  51.550 -25.992  -0.593
  610    H    GLY  77           HN       GLY  77  50.310 -27.262  -2.674
  611   1HA   GLY  77           HA2      GLY  77  48.140 -28.906  -1.474
  612   2HA   GLY  77           HA1      GLY  77  48.551 -28.855  -3.190
   
  No H/Q in entry =         612
  Start of MODEL    6
    1   1H    ALA   1           HT1      ALA   1  71.279  -7.105  -5.757
    2   2H    ALA   1           HT3      ALA   1  72.501  -8.279  -5.834
    3   3H    ALA   1           HT2      ALA   1  70.885  -8.716  -6.126
    4    HA   ALA   1           HA       ALA   1  71.226  -9.450  -3.954
    5   1HB   ALA   1           HB1      ALA   1  73.440  -8.016  -4.112
    6   2HB   ALA   1           HB3      ALA   1  72.491  -6.826  -3.221
    7   3HB   ALA   1           HB2      ALA   1  72.772  -8.425  -2.532
    8    H    LYS   2           HN       LYS   2  68.972  -9.279  -3.668
    9    HA   LYS   2           HA       LYS   2  67.811  -6.596  -3.097
   10   1HB   LYS   2           HB2      LYS   2  65.724  -7.677  -3.558
   11   2HB   LYS   2           HB1      LYS   2  66.862  -8.339  -4.732
   12   1HG   LYS   2           HG2      LYS   2  66.296 -10.390  -3.979
   13   2HG   LYS   2           HG1      LYS   2  67.126  -9.983  -2.475
   14   1HD   LYS   2           HD2      LYS   2  65.176  -9.865  -1.353
   15   2HD   LYS   2           HD1      LYS   2  64.495  -8.768  -2.553
   16   1HE   LYS   2           HE2      LYS   2  64.725 -11.722  -3.144
   17   2HE   LYS   2           HE1      LYS   2  63.333 -11.073  -2.253
   18   1HZ   LYS   2           HZ2      LYS   2  64.299  -9.838  -4.764
   19   2HZ   LYS   2           HZ1      LYS   2  63.156 -11.095  -4.776
   20   3HZ   LYS   2           HZ3      LYS   2  62.797  -9.631  -3.999
   21    H    GLN   3           HN       GLN   3  66.405  -6.387  -1.163
   22    HA   GLN   3           HA       GLN   3  67.112  -8.298   1.035
   23   1HB   GLN   3           HB2      GLN   3  68.154  -5.788   0.733
   24   2HB   GLN   3           HB1      GLN   3  66.740  -5.450   1.731
   25   1HG   GLN   3           HG2      GLN   3  67.453  -7.022   3.412
   26   2HG   GLN   3           HG1      GLN   3  68.751  -7.619   2.377
   27   1HE2  GLN   3          HE22      GLN   3  69.194  -3.948   4.183
   28   2HE2  GLN   3          HE21      GLN   3  67.633  -4.567   3.935
   29    H    ASP   4           HN       ASP   4  65.570  -6.389   2.823
   30    HA   ASP   4           HA       ASP   4  62.853  -7.347   2.047
   31   1HB   ASP   4           HB2      ASP   4  62.985  -6.280   4.711
   32   2HB   ASP   4           HB1      ASP   4  62.671  -7.936   4.218
   33    H    TYR   5           HN       TYR   5  63.674  -5.117   0.685
   34    HA   TYR   5           HA       TYR   5  63.345  -2.710   0.577
   35   1HB   TYR   5           HB2      TYR   5  60.544  -3.006   0.549
   36   2HB   TYR   5           HB1      TYR   5  61.649  -3.087  -0.811
   37    HD1  TYR   5           HD1      TYR   5  59.849  -5.125   1.704
   38    HD2  TYR   5           HD2      TYR   5  62.309  -5.141  -1.815
   39    HE1  TYR   5           HE1      TYR   5  59.373  -7.536   1.385
   40    HE2  TYR   5           HE2      TYR   5  61.830  -7.554  -2.139
   41    HH   TYR   5           HH       TYR   5  59.553  -9.119  -1.170
   42    H    TYR   6           HN       TYR   6  60.489  -3.649   2.530
   43    HA   TYR   6           HA       TYR   6  60.188  -1.335   4.029
   44   1HB   TYR   6           HB2      TYR   6  59.803  -4.253   4.538
   45   2HB   TYR   6           HB1      TYR   6  59.530  -3.113   5.858
   46    HD1  TYR   6           HD1      TYR   6  58.070  -1.013   5.275
   47    HD2  TYR   6           HD2      TYR   6  58.070  -4.661   3.008
   48    HE1  TYR   6           HE1      TYR   6  55.850  -0.434   4.339
   49    HE2  TYR   6           HE2      TYR   6  55.846  -4.081   2.070
   50    HH   TYR   6           HH       TYR   6  54.379  -0.931   2.678
   51    H    GLU   7           HN       GLU   7  62.586  -3.894   4.344
   52    HA   GLU   7           HA       GLU   7  63.809  -2.662   6.755
   53   1HB   GLU   7           HB2      GLU   7  63.537  -5.189   6.126
   54   2HB   GLU   7           HB1      GLU   7  64.916  -4.902   5.064
   55   1HG   GLU   7           HG2      GLU   7  66.014  -5.540   7.009
   56   2HG   GLU   7           HG1      GLU   7  65.946  -3.792   7.239
   57    H    ILE   8           HN       ILE   8  64.266  -2.997   3.281
   58    HA   ILE   8           HA       ILE   8  66.873  -2.149   2.835
   59    HB   ILE   8           HB       ILE   8  64.269  -1.562   1.462
   60   1HG1  ILE   8          HG12      ILE   8  65.182  -3.919   1.589
   61   2HG1  ILE   8          HG11      ILE   8  65.009  -3.314  -0.059
   62   1HG2  ILE   8          HG21      ILE   8  67.065  -0.952   0.497
   63   2HG2  ILE   8          HG23      ILE   8  65.612  -0.881  -0.500
   64   3HG2  ILE   8          HG22      ILE   8  65.803   0.225   0.861
   65   1HD1  ILE   8          HD13      ILE   8  67.480  -2.538   0.207
   66   2HD1  ILE   8          HD12      ILE   8  67.523  -3.657   1.568
   67   3HD1  ILE   8          HD11      ILE   8  67.170  -4.255  -0.052
   68    H    LEU   9           HN       LEU   9  63.985  -0.140   3.294
   69    HA   LEU   9           HA       LEU   9  65.458   2.408   3.324
   70   1HB   LEU   9           HB2      LEU   9  62.666   1.867   4.329
   71   2HB   LEU   9           HB1      LEU   9  63.277   3.309   3.524
   72    HG   LEU   9           HG       LEU   9  63.730   1.170   1.745
   73   1HD1  LEU   9          HD11      LEU   9  61.733   0.343   3.444
   74   2HD1  LEU   9          HD13      LEU   9  60.822   1.115   2.148
   75   3HD1  LEU   9          HD12      LEU   9  61.927  -0.203   1.778
   76   1HD2  LEU   9          HD21      LEU   9  62.839   3.732   1.647
   77   2HD2  LEU   9          HD23      LEU   9  62.690   2.608   0.294
   78   3HD2  LEU   9          HD22      LEU   9  61.326   2.864   1.382
   79    H    GLY  10           HN       GLY  10  64.771  -0.093   5.574
   80   1HA   GLY  10           HA2      GLY  10  65.793  -0.184   7.760
   81   2HA   GLY  10           HA1      GLY  10  65.842   1.581   7.777
   82    H    VAL  11           HN       VAL  11  62.941   0.014   6.675
   83    HA   VAL  11           HA       VAL  11  61.608   0.874   9.232
   84    HB   VAL  11           HB       VAL  11  59.774   0.485   7.088
   85   1HG1  VAL  11          HG11      VAL  11  60.858   2.967   8.435
   86   2HG1  VAL  11          HG13      VAL  11  59.424   2.936   7.412
   87   3HG1  VAL  11          HG12      VAL  11  59.444   2.039   8.931
   88   1HG2  VAL  11          HG21      VAL  11  62.259   1.990   6.322
   89   2HG2  VAL  11          HG23      VAL  11  61.375   0.772   5.400
   90   3HG2  VAL  11          HG22      VAL  11  60.691   2.378   5.625
   91    H    SER  12           HN       SER  12  59.427  -0.329   9.500
   92    HA   SER  12           HA       SER  12  59.943  -3.201   9.600
   93   1HB   SER  12           HB2      SER  12  57.739  -1.321  10.422
   94   2HB   SER  12           HB1      SER  12  57.534  -3.064  10.550
   95    HG   SER  12           HG       SER  12  58.592  -1.607  12.335
   96    H    LYS  13           HN       LYS  13  58.449  -4.786   8.606
   97    HA   LYS  13           HA       LYS  13  58.016  -4.384   5.854
   98   1HB   LYS  13           HB2      LYS  13  56.622  -6.412   6.059
   99   2HB   LYS  13           HB1      LYS  13  58.184  -6.540   6.866
  100   1HG   LYS  13           HG2      LYS  13  57.238  -6.722   8.922
  101   2HG   LYS  13           HG1      LYS  13  56.073  -5.440   8.590
  102   1HD   LYS  13           HD2      LYS  13  54.456  -6.941   8.141
  103   2HD   LYS  13           HD1      LYS  13  55.490  -7.782   6.987
  104   1HE   LYS  13           HE2      LYS  13  55.041  -9.405   8.681
  105   2HE   LYS  13           HE1      LYS  13  56.660  -8.793   9.076
  106   1HZ   LYS  13           HZ3      LYS  13  55.074  -6.976  10.257
  107   2HZ   LYS  13           HZ2      LYS  13  54.151  -8.387  10.466
  108   3HZ   LYS  13           HZ1      LYS  13  55.743  -8.314  11.055
  109    H    THR  14           HN       THR  14  56.180  -3.239   8.504
  110    HA   THR  14           HA       THR  14  53.905  -2.562   6.669
  111    HB   THR  14           HB       THR  14  52.491  -2.752   8.598
  112    HG1  THR  14           HG1      THR  14  53.505  -3.113  10.673
  113   1HG2  THR  14          HG21      THR  14  53.870  -4.874   7.639
  114   2HG2  THR  14          HG23      THR  14  54.353  -4.941   9.334
  115   3HG2  THR  14          HG22      THR  14  52.645  -5.015   8.900
  116    H    ALA  15           HN       ALA  15  56.634  -1.289   7.837
  117    HA   ALA  15           HA       ALA  15  56.384   0.975   9.277
  118   1HB   ALA  15           HB2      ALA  15  57.765   0.271   6.770
  119   2HB   ALA  15           HB1      ALA  15  57.871   1.939   7.331
  120   3HB   ALA  15           HB3      ALA  15  58.436   0.627   8.357
  121    H    GLU  16           HN       GLU  16  54.920   0.566   6.189
  122    HA   GLU  16           HA       GLU  16  53.279   1.895   5.106
  123   1HB   GLU  16           HB2      GLU  16  53.305   2.779   7.825
  124   2HB   GLU  16           HB1      GLU  16  53.297   4.221   6.804
  125   1HG   GLU  16           HG2      GLU  16  51.213   3.771   5.972
  126   2HG   GLU  16           HG1      GLU  16  51.471   2.026   5.986
  127    H    GLU  17           HN       GLU  17  53.585   3.409   3.491
  128    HA   GLU  17           HA       GLU  17  56.175   4.152   2.694
  129   1HB   GLU  17           HB2      GLU  17  55.012   5.399   0.984
  130   2HB   GLU  17           HB1      GLU  17  54.065   3.956   1.351
  131   1HG   GLU  17           HG2      GLU  17  52.594   5.258   2.814
  132   2HG   GLU  17           HG1      GLU  17  53.565   6.703   2.535
  133    H    ARG  18           HN       ARG  18  54.621   5.642   5.332
  134    HA   ARG  18           HA       ARG  18  55.551   8.363   4.686
  135   1HB   ARG  18           HB2      ARG  18  54.637   8.782   7.019
  136   2HB   ARG  18           HB1      ARG  18  53.475   8.104   5.878
  137   1HG   ARG  18           HG2      ARG  18  53.385   6.087   6.958
  138   2HG   ARG  18           HG1      ARG  18  55.085   6.145   7.428
  139   1HD   ARG  18           HD2      ARG  18  52.876   7.817   8.691
  140   2HD   ARG  18           HD1      ARG  18  53.612   6.373   9.415
  141    HE   ARG  18           HE       ARG  18  55.836   7.667   9.149
  142   1HH1  ARG  18          HH11      ARG  18  56.149  10.086   8.622
  143   2HH1  ARG  18          HH12      ARG  18  55.289  11.131   9.703
  144   1HH2  ARG  18          HH21      ARG  18  53.256   8.611  10.947
  145   2HH2  ARG  18          HH22      ARG  18  53.653  10.296  11.022
  146    H    GLU  19           HN       GLU  19  56.691   5.650   6.609
  147    HA   GLU  19           HA       GLU  19  58.928   7.313   7.637
  148   1HB   GLU  19           HB2      GLU  19  59.231   4.789   8.709
  149   2HB   GLU  19           HB1      GLU  19  58.390   6.110   9.505
  150   1HG   GLU  19           HG2      GLU  19  56.258   5.327   8.635
  151   2HG   GLU  19           HG1      GLU  19  57.069   4.079   7.687
  152    H    ILE  20           HN       ILE  20  58.015   5.133   5.205
  153    HA   ILE  20           HA       ILE  20  60.659   3.949   4.731
  154    HB   ILE  20           HB       ILE  20  57.907   3.674   3.867
  155   1HG1  ILE  20          HG12      ILE  20  59.142   1.572   2.766
  156   2HG1  ILE  20          HG11      ILE  20  60.430   2.101   3.844
  157   1HG2  ILE  20          HG23      ILE  20  59.786   4.475   1.730
  158   2HG2  ILE  20          HG22      ILE  20  58.917   2.989   1.418
  159   3HG2  ILE  20          HG21      ILE  20  58.027   4.473   1.740
  160   1HD1  ILE  20          HD11      ILE  20  58.406   2.262   5.575
  161   2HD1  ILE  20          HD13      ILE  20  57.712   1.050   4.500
  162   3HD1  ILE  20          HD12      ILE  20  59.254   0.741   5.298
  163    H    ARG  21           HN       ARG  21  58.533   6.263   3.048
  164    HA   ARG  21           HA       ARG  21  60.391   7.334   1.208
  165   1HB   ARG  21           HB2      ARG  21  58.904   9.365   1.418
  166   2HB   ARG  21           HB1      ARG  21  57.970   7.873   1.300
  167   1HG   ARG  21           HG2      ARG  21  56.932   8.862   3.120
  168   2HG   ARG  21           HG1      ARG  21  58.174   7.919   3.940
  169   1HD   ARG  21           HD2      ARG  21  58.600   9.966   4.936
  170   2HD   ARG  21           HD1      ARG  21  59.574  10.203   3.474
  171    HE   ARG  21           HE       ARG  21  57.928  11.700   2.673
  172   1HH1  ARG  21          HH11      ARG  21  55.471  11.275   2.284
  173   2HH1  ARG  21          HH12      ARG  21  54.536  11.471   3.729
  174   1HH2  ARG  21          HH21      ARG  21  57.283  11.309   5.841
  175   2HH2  ARG  21          HH22      ARG  21  55.564  11.494   5.744
  176    H    LYS  22           HN       LYS  22  59.900   7.752   4.612
  177    HA   LYS  22           HA       LYS  22  61.745   9.961   5.020
  178   1HB   LYS  22           HB2      LYS  22  59.614   9.033   6.307
  179   2HB   LYS  22           HB1      LYS  22  60.808   8.021   7.121
  180   1HG   LYS  22           HG2      LYS  22  61.075  11.032   6.880
  181   2HG   LYS  22           HG1      LYS  22  60.336  10.235   8.269
  182   1HD   LYS  22           HD2      LYS  22  63.097   9.474   7.316
  183   2HD   LYS  22           HD1      LYS  22  62.851  10.811   8.428
  184   1HE   LYS  22           HE2      LYS  22  61.412   8.327   9.158
  185   2HE   LYS  22           HE1      LYS  22  63.182   8.233   9.253
  186   1HZ   LYS  22           HZ1      LYS  22  61.889  10.664  10.239
  187   2HZ   LYS  22           HZ3      LYS  22  61.762   9.273  11.201
  188   3HZ   LYS  22           HZ2      LYS  22  63.293   9.883  10.792
  189    H    ALA  23           HN       ALA  23  61.785   6.461   5.749
  190    HA   ALA  23           HA       ALA  23  64.266   6.180   6.973
  191   1HB   ALA  23           HB1      ALA  23  62.304   4.582   5.667
  192   2HB   ALA  23           HB3      ALA  23  63.875   4.092   5.038
  193   3HB   ALA  23           HB2      ALA  23  63.569   4.040   6.771
  194    H    TYR  24           HN       TYR  24  63.582   6.214   3.473
  195    HA   TYR  24           HA       TYR  24  66.356   6.068   2.677
  196   1HB   TYR  24           HB2      TYR  24  64.300   5.437   1.351
  197   2HB   TYR  24           HB1      TYR  24  63.905   7.149   1.237
  198    HD1  TYR  24           HD1      TYR  24  67.364   5.803   1.170
  199    HD2  TYR  24           HD2      TYR  24  64.119   7.401  -1.144
  200    HE1  TYR  24           HE1      TYR  24  68.882   6.073  -0.768
  201    HE2  TYR  24           HE2      TYR  24  65.637   7.667  -3.085
  202    HH   TYR  24           HH       TYR  24  67.792   7.655  -3.745
  203    H    LYS  25           HN       LYS  25  63.932   8.629   3.011
  204    HA   LYS  25           HA       LYS  25  65.343  10.918   2.250
  205   1HB   LYS  25           HB2      LYS  25  63.065  10.097   3.750
  206   2HB   LYS  25           HB1      LYS  25  63.886  11.339   4.683
  207   1HG   LYS  25           HG2      LYS  25  63.059  12.924   3.310
  208   2HG   LYS  25           HG1      LYS  25  63.878  12.161   1.945
  209   1HD   LYS  25           HD2      LYS  25  62.008  10.772   1.461
  210   2HD   LYS  25           HD1      LYS  25  61.248  11.125   3.013
  211   1HE   LYS  25           HE2      LYS  25  61.636  13.067   0.704
  212   2HE   LYS  25           HE1      LYS  25  60.096  12.443   1.325
  213   1HZ   LYS  25           HZ3      LYS  25  61.192  13.330   3.570
  214   2HZ   LYS  25           HZ2      LYS  25  61.887  14.429   2.476
  215   3HZ   LYS  25           HZ1      LYS  25  60.198  14.297   2.592
  216    H    ARG  26           HN       ARG  26  65.505   9.082   5.279
  217    HA   ARG  26           HA       ARG  26  67.168  10.908   6.736
  218   1HB   ARG  26           HB2      ARG  26  66.276   8.063   6.880
  219   2HB   ARG  26           HB1      ARG  26  67.632   8.542   7.902
  220   1HG   ARG  26           HG2      ARG  26  65.913  10.626   8.308
  221   2HG   ARG  26           HG1      ARG  26  64.782   9.294   8.081
  222   1HD   ARG  26           HD2      ARG  26  65.350   9.444  10.457
  223   2HD   ARG  26           HD1      ARG  26  66.106   7.981   9.792
  224    HE   ARG  26           HE       ARG  26  67.995   9.973   9.371
  225   1HH1  ARG  26          HH11      ARG  26  66.918  11.259  11.840
  226   2HH1  ARG  26          HH12      ARG  26  67.859  10.508  13.085
  227   1HH2  ARG  26          HH21      ARG  26  68.919   7.892  11.069
  228   2HH2  ARG  26          HH22      ARG  26  68.993   8.599  12.648
  229    H    LEU  27           HN       LEU  27  67.982   7.846   5.062
  230    HA   LEU  27           HA       LEU  27  70.859   8.270   5.345
  231   1HB   LEU  27           HB2      LEU  27  70.968   6.111   4.334
  232   2HB   LEU  27           HB1      LEU  27  69.491   6.093   5.299
  233    HG   LEU  27           HG       LEU  27  68.378   6.945   3.078
  234   1HD1  LEU  27          HD11      LEU  27  70.957   6.799   2.183
  235   2HD1  LEU  27          HD13      LEU  27  70.340   5.221   1.700
  236   3HD1  LEU  27          HD12      LEU  27  69.542   6.689   1.136
  237   1HD2  LEU  27          HD21      LEU  27  68.122   4.713   4.332
  238   2HD2  LEU  27          HD23      LEU  27  67.742   4.703   2.611
  239   3HD2  LEU  27          HD22      LEU  27  69.285   4.065   3.175
  240    H    ALA  28           HN       ALA  28  68.409   8.709   2.882
  241    HA   ALA  28           HA       ALA  28  70.160   9.111   0.646
  242   1HB   ALA  28           HB2      ALA  28  67.704   8.508   0.712
  243   2HB   ALA  28           HB1      ALA  28  67.372  10.177   1.178
  244   3HB   ALA  28           HB3      ALA  28  68.090   9.828  -0.395
  245    H    MET  29           HN       MET  29  68.690  11.327   3.039
  246    HA   MET  29           HA       MET  29  69.650  13.739   1.791
  247   1HB   MET  29           HB2      MET  29  69.032  14.746   3.854
  248   2HB   MET  29           HB1      MET  29  67.979  13.336   3.768
  249   1HG   MET  29           HG2      MET  29  69.970  12.147   5.018
  250   2HG   MET  29           HG1      MET  29  70.399  13.792   5.479
  251   1HE   MET  29           HE2      MET  29  70.284  13.886   7.562
  252   2HE   MET  29           HE1      MET  29  68.881  13.919   8.628
  253   3HE   MET  29           HE3      MET  29  69.680  12.384   8.258
  254    H    LYS  30           HN       LYS  30  71.056  11.200   3.684
  255    HA   LYS  30           HA       LYS  30  73.613  12.616   4.141
  256   1HB   LYS  30           HB2      LYS  30  72.350   9.961   4.815
  257   2HB   LYS  30           HB1      LYS  30  74.093  10.165   4.994
  258   1HG   LYS  30           HG2      LYS  30  73.869  11.485   6.825
  259   2HG   LYS  30           HG1      LYS  30  72.511  12.373   6.130
  260   1HD   LYS  30           HD2      LYS  30  71.060  11.164   7.352
  261   2HD   LYS  30           HD1      LYS  30  71.683   9.672   6.649
  262   1HE   LYS  30           HE2      LYS  30  73.687  10.175   8.385
  263   2HE   LYS  30           HE1      LYS  30  72.348  10.947   9.259
  264   1HZ   LYS  30           HZ1      LYS  30  71.025   8.922   8.846
  265   2HZ   LYS  30           HZ3      LYS  30  72.394   8.180   8.171
  266   3HZ   LYS  30           HZ2      LYS  30  72.391   8.622   9.813
  267    H    TYR  31           HN       TYR  31  72.077  10.500   1.870
  268    HA   TYR  31           HA       TYR  31  74.685   9.944   0.513
  269   1HB   TYR  31           HB2      TYR  31  72.247   8.429   1.101
  270   2HB   TYR  31           HB1      TYR  31  72.718   8.331  -0.597
  271    HD1  TYR  31           HD2      TYR  31  75.756   8.650  -0.140
  272    HD2  TYR  31           HD1      TYR  31  72.789   6.188   1.756
  273    HE1  TYR  31           HE2      TYR  31  77.506   7.007   0.464
  274    HE2  TYR  31           HE1      TYR  31  74.542   4.542   2.355
  275    HH   TYR  31           HH       TYR  31  77.479   5.005   2.637
  276    H    HIS  32           HN       HIS  32  72.878  12.305   0.393
  277    HA   HIS  32           HA       HIS  32  71.457  12.530  -2.034
  278   1HB   HIS  32           HB2      HIS  32  71.577  14.850  -1.431
  279   2HB   HIS  32           HB1      HIS  32  71.567  13.923   0.055
  280    HD1  HIS  32           HD1      HIS  32  74.627  13.022  -0.082
  281    HD2  HIS  32           HD2      HIS  32  73.216  16.928  -0.436
  282    HE1  HIS  32           HE1      HIS  32  76.546  14.540   0.561
  283    HA   PRO  33           HA       PRO  33  74.317  13.327  -5.265
  284   1HB   PRO  33           HB2      PRO  33  75.185  15.921  -5.518
  285   2HB   PRO  33           HB1      PRO  33  73.596  15.343  -6.062
  286   1HG   PRO  33           HG2      PRO  33  74.332  16.746  -3.538
  287   2HG   PRO  33           HG1      PRO  33  72.938  16.999  -4.602
  288   1HD   PRO  33           HD2      PRO  33  72.750  15.677  -2.328
  289   2HD   PRO  33           HD1      PRO  33  71.787  15.206  -3.739
  290    H    ASP  34           HN       ASP  34  75.497  12.229  -3.291
  291    HA   ASP  34           HA       ASP  34  78.311  13.256  -3.278
  292   1HB   ASP  34           HB2      ASP  34  78.470  12.721  -0.930
  293   2HB   ASP  34           HB1      ASP  34  76.998  13.669  -1.127
  294    H    ARG  35           HN       ARG  35  76.024  10.584  -3.046
  295    HA   ARG  35           HA       ARG  35  78.172   8.612  -3.692
  296   1HB   ARG  35           HB2      ARG  35  76.496   6.975  -2.824
  297   2HB   ARG  35           HB1      ARG  35  76.857   8.209  -1.618
  298   1HG   ARG  35           HG2      ARG  35  74.480   8.033  -1.615
  299   2HG   ARG  35           HG1      ARG  35  74.822   9.475  -2.551
  300   1HD   ARG  35           HD2      ARG  35  73.797   8.597  -4.351
  301   2HD   ARG  35           HD1      ARG  35  74.820   7.149  -4.268
  302    HE   ARG  35           HE       ARG  35  73.202   6.435  -2.373
  303   1HH1  ARG  35          HH21      ARG  35  71.002   7.421  -1.779
  304   2HH1  ARG  35          HH22      ARG  35  69.913   7.516  -3.122
  305   1HH2  ARG  35          HH11      ARG  35  72.384   7.028  -5.502
  306   2HH2  ARG  35          HH12      ARG  35  70.695   7.297  -5.229
  307    H    ASN  36           HN       ASN  36  75.211  10.179  -4.612
  308    HA   ASN  36           HA       ASN  36  74.104   8.592  -6.611
  309   1HB   ASN  36           HB2      ASN  36  74.504  11.528  -6.123
  310   2HB   ASN  36           HB1      ASN  36  73.723  11.004  -7.613
  311   1HD2  ASN  36          HD22      ASN  36  71.797  10.447  -4.032
  312   2HD2  ASN  36          HD21      ASN  36  73.466  10.755  -4.048
  313    H    GLN  37           HN       GLN  37  77.222  10.071  -6.557
  314    HA   GLN  37           HA       GLN  37  77.659  10.248  -9.409
  315   1HB   GLN  37           HB2      GLN  37  79.784   9.951  -7.297
  316   2HB   GLN  37           HB1      GLN  37  79.813  10.950  -8.749
  317   1HG   GLN  37           HG2      GLN  37  77.658  12.017  -7.460
  318   2HG   GLN  37           HG1      GLN  37  78.644  11.523  -6.084
  319   1HE2  GLN  37          HE22      GLN  37  80.173  14.357  -8.656
  320   2HE2  GLN  37          HE21      GLN  37  79.041  13.238  -9.244
  321    H    GLY  38           HN       GLY  38  76.959   7.549  -7.789
  322   1HA   GLY  38           HA2      GLY  38  77.253   5.335  -8.691
  323   2HA   GLY  38           HA1      GLY  38  78.722   5.891  -9.502
  324    H    ASP  39           HN       ASP  39  79.487   7.345  -6.992
  325    HA   ASP  39           HA       ASP  39  81.136   6.821  -5.340
  326   1HB   ASP  39           HB2      ASP  39  79.960   5.681  -3.480
  327   2HB   ASP  39           HB1      ASP  39  78.919   6.869  -4.263
  328    H    LYS  40           HN       LYS  40  80.712   4.054  -3.946
  329    HA   LYS  40           HA       LYS  40  82.754   2.645  -5.528
  330   1HB   LYS  40           HB2      LYS  40  81.954   2.920  -2.825
  331   2HB   LYS  40           HB1      LYS  40  81.748   1.220  -3.241
  332   1HG   LYS  40           HG2      LYS  40  84.031   1.638  -2.416
  333   2HG   LYS  40           HG1      LYS  40  84.061   1.156  -4.113
  334   1HD   LYS  40           HD2      LYS  40  83.876   3.790  -4.486
  335   2HD   LYS  40           HD1      LYS  40  84.623   3.823  -2.889
  336   1HE   LYS  40           HE2      LYS  40  85.824   1.932  -4.853
  337   2HE   LYS  40           HE1      LYS  40  86.096   3.662  -5.144
  338   1HZ   LYS  40           HZ1      LYS  40  86.499   2.300  -2.534
  339   2HZ   LYS  40           HZ3      LYS  40  87.748   2.700  -3.611
  340   3HZ   LYS  40           HZ2      LYS  40  86.828   3.930  -2.884
  341    H    GLU  41           HN       GLU  41  79.485   1.885  -4.283
  342    HA   GLU  41           HA       GLU  41  78.586   0.487  -6.611
  343   1HB   GLU  41           HB2      GLU  41  78.944  -1.854  -5.570
  344   2HB   GLU  41           HB1      GLU  41  80.375  -1.060  -6.235
  345   1HG   GLU  41           HG2      GLU  41  81.058  -0.300  -4.057
  346   2HG   GLU  41           HG1      GLU  41  79.540  -0.833  -3.339
  347    H    ALA  42           HN       ALA  42  78.606   0.742  -3.089
  348    HA   ALA  42           HA       ALA  42  76.194  -0.536  -2.387
  349   1HB   ALA  42           HB2      ALA  42  77.897   0.565  -0.894
  350   2HB   ALA  42           HB1      ALA  42  77.263   2.132  -1.396
  351   3HB   ALA  42           HB3      ALA  42  76.238   1.014  -0.497
  352    H    GLU  43           HN       GLU  43  76.767   2.243  -4.349
  353    HA   GLU  43           HA       GLU  43  74.686   3.980  -4.325
  354   1HB   GLU  43           HB2      GLU  43  76.343   3.642  -6.174
  355   2HB   GLU  43           HB1      GLU  43  75.386   2.263  -6.721
  356   1HG   GLU  43           HG2      GLU  43  74.311   3.787  -8.012
  357   2HG   GLU  43           HG1      GLU  43  73.464   4.195  -6.520
  358    H    ALA  44           HN       ALA  44  74.424   0.691  -5.625
  359    HA   ALA  44           HA       ALA  44  71.762   0.807  -6.404
  360   1HB   ALA  44           HB1      ALA  44  73.729  -1.003  -6.526
  361   2HB   ALA  44           HB3      ALA  44  72.827  -1.704  -5.182
  362   3HB   ALA  44           HB2      ALA  44  72.044  -1.473  -6.745
  363    H    LYS  45           HN       LYS  45  72.944  -0.615  -3.320
  364    HA   LYS  45           HA       LYS  45  70.456  -1.034  -2.110
  365   1HB   LYS  45           HB2      LYS  45  72.473  -1.748  -1.038
  366   2HB   LYS  45           HB1      LYS  45  73.124  -0.101  -1.008
  367   1HG   LYS  45           HG2      LYS  45  71.258   0.572   0.506
  368   2HG   LYS  45           HG1      LYS  45  70.686  -1.097   0.515
  369   1HD   LYS  45           HD2      LYS  45  72.304  -1.765   1.963
  370   2HD   LYS  45           HD1      LYS  45  73.549  -0.815   1.152
  371   1HE   LYS  45           HE2      LYS  45  73.256   0.980   2.543
  372   2HE   LYS  45           HE1      LYS  45  71.493   0.767   2.597
  373   1HZ   LYS  45           HZ3      LYS  45  72.153  -1.432   3.807
  374   2HZ   LYS  45           HZ2      LYS  45  73.576  -0.578   4.173
  375   3HZ   LYS  45           HZ1      LYS  45  72.067   0.024   4.673
  376    H    PHE  46           HN       PHE  46  72.103   1.990  -2.770
  377    HA   PHE  46           HA       PHE  46  70.495   3.618  -0.971
  378   1HB   PHE  46           HB2      PHE  46  72.075   4.415  -3.431
  379   2HB   PHE  46           HB1      PHE  46  71.647   5.442  -2.065
  380    HD1  PHE  46           HD1      PHE  46  72.117   2.764  -0.227
  381    HD2  PHE  46           HD2      PHE  46  74.464   5.158  -2.910
  382    HE1  PHE  46           HE1      PHE  46  74.180   2.074   0.968
  383    HE2  PHE  46           HE2      PHE  46  76.530   4.468  -1.719
  384    HZ   PHE  46           HZ       PHE  46  76.386   2.926   0.220
  385    H    LYS  47           HN       LYS  47  70.428   2.966  -4.511
  386    HA   LYS  47           HA       LYS  47  67.893   4.493  -4.696
  387   1HB   LYS  47           HB2      LYS  47  68.567   4.718  -6.861
  388   2HB   LYS  47           HB1      LYS  47  70.070   3.943  -6.373
  389   1HG   LYS  47           HG2      LYS  47  67.617   2.448  -7.330
  390   2HG   LYS  47           HG1      LYS  47  68.996   2.855  -8.351
  391   1HD   LYS  47           HD2      LYS  47  70.160   1.697  -6.116
  392   2HD   LYS  47           HD1      LYS  47  68.717   0.718  -6.379
  393   1HE   LYS  47           HE2      LYS  47  70.605  -0.199  -7.685
  394   2HE   LYS  47           HE1      LYS  47  69.380   0.460  -8.787
  395   1HZ   LYS  47           HZ1      LYS  47  70.951   2.604  -8.076
  396   2HZ   LYS  47           HZ3      LYS  47  72.056   1.347  -8.349
  397   3HZ   LYS  47           HZ2      LYS  47  70.963   1.795  -9.570
  398    H    GLU  48           HN       GLU  48  68.985   1.320  -4.115
  399    HA   GLU  48           HA       GLU  48  66.862  -0.300  -5.145
  400   1HB   GLU  48           HB2      GLU  48  68.878  -0.375  -2.906
  401   2HB   GLU  48           HB1      GLU  48  67.648  -1.631  -2.989
  402   1HG   GLU  48           HG2      GLU  48  69.242  -0.929  -5.436
  403   2HG   GLU  48           HG1      GLU  48  69.937  -1.993  -4.211
  404    H    ILE  49           HN       ILE  49  67.370   1.662  -2.342
  405    HA   ILE  49           HA       ILE  49  65.123   0.965  -0.726
  406    HB   ILE  49           HB       ILE  49  66.672   3.524  -1.175
  407   1HG1  ILE  49          HG12      ILE  49  67.012   1.759   1.197
  408   2HG1  ILE  49          HG11      ILE  49  67.668   1.195  -0.339
  409   1HG2  ILE  49          HG21      ILE  49  64.713   2.727   0.971
  410   2HG2  ILE  49          HG23      ILE  49  65.906   4.005   1.205
  411   3HG2  ILE  49          HG22      ILE  49  64.681   4.163  -0.054
  412   1HD1  ILE  49          HD12      ILE  49  68.708   3.554  -0.527
  413   2HD1  ILE  49          HD11      ILE  49  68.377   3.688   1.196
  414   3HD1  ILE  49          HD13      ILE  49  69.449   2.423   0.601
  415    H    LYS  50           HN       LYS  50  65.632   3.473  -3.167
  416    HA   LYS  50           HA       LYS  50  63.098   4.736  -3.112
  417   1HB   LYS  50           HB2      LYS  50  65.007   5.607  -4.330
  418   2HB   LYS  50           HB1      LYS  50  65.063   4.174  -5.355
  419   1HG   LYS  50           HG2      LYS  50  63.580   5.084  -6.776
  420   2HG   LYS  50           HG1      LYS  50  62.423   5.314  -5.465
  421   1HD   LYS  50           HD2      LYS  50  63.321   7.460  -4.918
  422   2HD   LYS  50           HD1      LYS  50  64.746   7.197  -5.925
  423   1HE   LYS  50           HE2      LYS  50  63.174   7.055  -7.926
  424   2HE   LYS  50           HE1      LYS  50  61.890   7.639  -6.848
  425   1HZ   LYS  50           HZ3      LYS  50  64.462   9.034  -6.796
  426   2HZ   LYS  50           HZ2      LYS  50  63.454   9.307  -8.137
  427   3HZ   LYS  50           HZ1      LYS  50  62.897   9.646  -6.569
  428    H    GLU  51           HN       GLU  51  64.102   1.696  -4.600
  429    HA   GLU  51           HA       GLU  51  61.770   1.308  -6.264
  430   1HB   GLU  51           HB2      GLU  51  63.742   0.081  -6.751
  431   2HB   GLU  51           HB1      GLU  51  63.937  -0.426  -5.073
  432   1HG   GLU  51           HG2      GLU  51  62.693  -2.266  -5.434
  433   2HG   GLU  51           HG1      GLU  51  61.364  -1.288  -6.055
  434    H    ALA  52           HN       ALA  52  62.632   0.347  -2.950
  435    HA   ALA  52           HA       ALA  52  60.698  -1.417  -2.135
  436   1HB   ALA  52           HB2      ALA  52  62.406  -0.315  -0.721
  437   2HB   ALA  52           HB1      ALA  52  61.489   1.189  -0.791
  438   3HB   ALA  52           HB3      ALA  52  60.813  -0.217   0.031
  439    H    TYR  53           HN       TYR  53  60.183   1.990  -2.923
  440    HA   TYR  53           HA       TYR  53  57.579   2.392  -1.959
  441   1HB   TYR  53           HB2      TYR  53  58.858   3.308  -4.554
  442   2HB   TYR  53           HB1      TYR  53  57.481   4.081  -3.773
  443    HD1  TYR  53           HD2      TYR  53  59.300   2.927  -1.093
  444    HD2  TYR  53           HD1      TYR  53  59.557   5.892  -4.193
  445    HE1  TYR  53           HE2      TYR  53  60.847   4.247   0.299
  446    HE2  TYR  53           HE1      TYR  53  61.100   7.216  -2.782
  447    HH   TYR  53           HH       TYR  53  61.663   7.479  -0.413
  448    H    GLU  54           HN       GLU  54  58.596   0.853  -5.008
  449    HA   GLU  54           HA       GLU  54  55.995   0.495  -6.137
  450   1HB   GLU  54           HB2      GLU  54  58.249  -1.509  -6.347
  451   2HB   GLU  54           HB1      GLU  54  57.091  -1.033  -7.589
  452   1HG   GLU  54           HG2      GLU  54  58.405   1.329  -6.788
  453   2HG   GLU  54           HG1      GLU  54  59.660   0.106  -6.983
  454    H    VAL  55           HN       VAL  55  57.510  -0.888  -3.387
  455    HA   VAL  55           HA       VAL  55  55.673  -3.183  -3.424
  456    HB   VAL  55           HB       VAL  55  58.352  -2.767  -2.692
  457   1HG1  VAL  55          HG11      VAL  55  56.576  -3.170  -0.281
  458   2HG1  VAL  55          HG13      VAL  55  58.229  -3.778  -0.319
  459   3HG1  VAL  55          HG12      VAL  55  57.924  -2.050  -0.476
  460   1HG2  VAL  55          HG21      VAL  55  56.990  -4.810  -3.559
  461   2HG2  VAL  55          HG23      VAL  55  58.395  -5.102  -2.533
  462   3HG2  VAL  55          HG22      VAL  55  56.771  -5.173  -1.849
  463    H    LEU  56           HN       LEU  56  56.762  -0.756  -1.035
  464    HA   LEU  56           HA       LEU  56  54.404  -1.238   0.637
  465   1HB   LEU  56           HB2      LEU  56  55.524   0.518   2.013
  466   2HB   LEU  56           HB1      LEU  56  56.606  -0.804   1.553
  467    HG   LEU  56           HG       LEU  56  56.718   1.038  -0.565
  468   1HD1  LEU  56          HD13      LEU  56  55.671   2.633   1.079
  469   2HD1  LEU  56          HD12      LEU  56  57.092   2.421   2.100
  470   3HD1  LEU  56          HD11      LEU  56  57.258   3.135   0.497
  471   1HD2  LEU  56          HD23      LEU  56  58.523   0.220   1.708
  472   2HD2  LEU  56          HD22      LEU  56  58.619  -0.241   0.014
  473   3HD2  LEU  56          HD21      LEU  56  59.061   1.392   0.505
  474    H    THR  57           HN       THR  57  55.292   1.217  -1.789
  475    HA   THR  57           HA       THR  57  53.067   2.959  -0.892
  476    HB   THR  57           HB       THR  57  53.934   4.525  -2.465
  477    HG1  THR  57           HG1      THR  57  55.728   3.504  -3.881
  478   1HG2  THR  57          HG23      THR  57  56.040   2.879  -1.101
  479   2HG2  THR  57          HG22      THR  57  56.530   4.192  -2.172
  480   3HG2  THR  57          HG21      THR  57  55.522   4.530  -0.767
  481    H    ASP  58           HN       ASP  58  52.594   0.208  -1.916
  482    HA   ASP  58           HA       ASP  58  50.482   0.874  -3.865
  483   1HB   ASP  58           HB2      ASP  58  53.038  -0.253  -4.539
  484   2HB   ASP  58           HB1      ASP  58  51.806  -1.500  -4.762
  485    H    SER  59           HN       SER  59  48.743   0.004  -3.020
  486    HA   SER  59           HA       SER  59  48.535  -1.598  -0.840
  487   1HB   SER  59           HB2      SER  59  46.280  -1.977  -1.551
  488   2HB   SER  59           HB1      SER  59  46.757  -0.441  -2.272
  489    HG   SER  59           HG       SER  59  45.768  -2.324  -3.590
  490    H    GLN  60           HN       GLN  60  49.507  -2.657  -4.012
  491    HA   GLN  60           HA       GLN  60  48.895  -5.425  -3.858
  492   1HB   GLN  60           HB2      GLN  60  51.092  -3.814  -5.174
  493   2HB   GLN  60           HB1      GLN  60  50.886  -5.543  -5.461
  494   1HG   GLN  60           HG2      GLN  60  49.187  -5.166  -6.886
  495   2HG   GLN  60           HG1      GLN  60  48.346  -4.173  -5.694
  496   1HE2  GLN  60          HE22      GLN  60  50.875  -2.318  -8.362
  497   2HE2  GLN  60          HE21      GLN  60  51.123  -3.956  -7.989
  498    H    LYS  61           HN       LYS  61  52.228  -4.187  -3.497
  499    HA   LYS  61           HA       LYS  61  52.960  -6.502  -1.866
  500   1HB   LYS  61           HB2      LYS  61  54.784  -4.175  -2.059
  501   2HB   LYS  61           HB1      LYS  61  55.114  -5.880  -2.310
  502   1HG   LYS  61           HG2      LYS  61  53.858  -3.932  -4.247
  503   2HG   LYS  61           HG1      LYS  61  55.352  -4.844  -4.438
  504   1HD   LYS  61           HD2      LYS  61  53.210  -6.690  -3.919
  505   2HD   LYS  61           HD1      LYS  61  52.737  -5.622  -5.241
  506   1HE   LYS  61           HE2      LYS  61  55.464  -6.307  -5.685
  507   2HE   LYS  61           HE1      LYS  61  54.595  -7.812  -5.323
  508   1HZ   LYS  61           HZ1      LYS  61  53.344  -5.800  -7.066
  509   2HZ   LYS  61           HZ3      LYS  61  54.521  -6.832  -7.719
  510   3HZ   LYS  61           HZ2      LYS  61  53.112  -7.484  -7.028
  511    H    ARG  62           HN       ARG  62  52.308  -3.075  -1.195
  512    HA   ARG  62           HA       ARG  62  53.353  -3.136   1.459
  513   1HB   ARG  62           HB2      ARG  62  52.283  -1.023   1.661
  514   2HB   ARG  62           HB1      ARG  62  52.615  -1.170  -0.063
  515   1HG   ARG  62           HG2      ARG  62  50.290  -2.087  -0.359
  516   2HG   ARG  62           HG1      ARG  62  49.984  -1.711   1.336
  517   1HD   ARG  62           HD2      ARG  62  51.101   0.479  -0.371
  518   2HD   ARG  62           HD1      ARG  62  49.388   0.055  -0.577
  519    HE   ARG  62           HE       ARG  62  50.628   0.946   1.989
  520   1HH1  ARG  62          HH21      ARG  62  48.452  -0.839   2.676
  521   2HH1  ARG  62          HH22      ARG  62  47.049   0.175   2.638
  522   1HH2  ARG  62          HH11      ARG  62  48.589   2.684   0.804
  523   2HH2  ARG  62          HH12      ARG  62  47.127   2.172   1.580
  524    H    ALA  63           HN       ALA  63  50.300  -4.137   0.096
  525    HA   ALA  63           HA       ALA  63  49.119  -4.666   2.761
  526   1HB   ALA  63           HB3      ALA  63  47.968  -3.769   0.597
  527   2HB   ALA  63           HB2      ALA  63  48.021  -5.447   0.056
  528   3HB   ALA  63           HB1      ALA  63  47.130  -5.019   1.517
  529    H    ALA  64           HN       ALA  64  50.884  -6.219   0.233
  530    HA   ALA  64           HA       ALA  64  50.154  -8.959   1.084
  531   1HB   ALA  64           HB2      ALA  64  50.430  -8.286  -1.296
  532   2HB   ALA  64           HB1      ALA  64  52.119  -7.899  -0.971
  533   3HB   ALA  64           HB3      ALA  64  51.557  -9.565  -0.842
  534    H    TYR  65           HN       TYR  65  53.086  -6.903   0.959
  535    HA   TYR  65           HA       TYR  65  54.820  -8.830   2.193
  536   1HB   TYR  65           HB2      TYR  65  54.805  -5.868   1.669
  537   2HB   TYR  65           HB1      TYR  65  56.113  -6.583   2.618
  538    HD1  TYR  65           HD1      TYR  65  54.575  -8.806   0.216
  539    HD2  TYR  65           HD2      TYR  65  57.619  -5.810   0.694
  540    HE1  TYR  65           HE1      TYR  65  55.668  -9.585  -1.869
  541    HE2  TYR  65           HE2      TYR  65  58.709  -6.591  -1.392
  542    HH   TYR  65           HH       TYR  65  58.805  -8.372  -2.861
  543    H    ASP  66           HN       ASP  66  52.619  -6.407   3.558
  544    HA   ASP  66           HA       ASP  66  53.661  -6.164   6.162
  545   1HB   ASP  66           HB2      ASP  66  51.540  -5.316   6.674
  546   2HB   ASP  66           HB1      ASP  66  51.558  -5.164   4.918
  547    H    GLN  67           HN       GLN  67  52.018  -8.874   4.646
  548    HA   GLN  67           HA       GLN  67  52.281 -10.409   7.214
  549   1HB   GLN  67           HB2      GLN  67  50.386 -11.782   6.087
  550   2HB   GLN  67           HB1      GLN  67  49.969 -10.193   6.726
  551   1HG   GLN  67           HG2      GLN  67  49.886  -9.213   4.595
  552   2HG   GLN  67           HG1      GLN  67  50.867 -10.486   3.869
  553   1HE2  GLN  67          HE22      GLN  67  47.365 -11.189   2.865
  554   2HE2  GLN  67          HE21      GLN  67  48.507  -9.972   2.557
  555    H    TYR  68           HN       TYR  68  53.856  -9.982   4.429
  556    HA   TYR  68           HA       TYR  68  55.211 -11.353   3.051
  557   1HB   TYR  68           HB2      TYR  68  55.044 -12.553   5.777
  558   2HB   TYR  68           HB1      TYR  68  55.765 -13.552   4.512
  559    HD1  TYR  68           HD2      TYR  68  57.758 -12.735   3.252
  560    HD2  TYR  68           HD1      TYR  68  56.157 -10.598   6.616
  561    HE1  TYR  68           HE2      TYR  68  59.864 -11.437   3.429
  562    HE2  TYR  68           HE1      TYR  68  58.261  -9.300   6.794
  563    HH   TYR  68           HH       TYR  68  60.195  -8.670   4.903
  564    H    GLY  69           HN       GLY  69  52.184 -11.732   3.063
  565   1HA   GLY  69           HA2      GLY  69  50.885 -13.097   1.581
  566   2HA   GLY  69           HA1      GLY  69  52.196 -14.281   1.565
  567    H    HIS  70           HN       HIS  70  49.182 -14.382   2.308
  568    HA   HIS  70           HA       HIS  70  48.740 -14.845   5.018
  569   1HB   HIS  70           HB2      HIS  70  47.058 -16.527   4.163
  570   2HB   HIS  70           HB1      HIS  70  47.009 -14.979   3.315
  571    HD1  HIS  70           HD1      HIS  70  46.924 -15.241   0.848
  572    HD2  HIS  70           HD2      HIS  70  49.005 -18.379   2.636
  573    HE1  HIS  70           HE1      HIS  70  47.643 -16.783  -1.028
  574    H    ALA  71           HN       ALA  71  50.730 -16.693   2.833
  575    HA   ALA  71           HA       ALA  71  50.836 -19.254   3.894
  576   1HB   ALA  71           HB3      ALA  71  52.179 -18.047   2.023
  577   2HB   ALA  71           HB2      ALA  71  53.322 -17.645   3.306
  578   3HB   ALA  71           HB1      ALA  71  52.992 -19.333   2.916
  579    H    ALA  72           HN       ALA  72  52.396 -16.324   5.213
  580    HA   ALA  72           HA       ALA  72  53.838 -17.546   7.338
  581   1HB   ALA  72           HB3      ALA  72  52.450 -14.849   7.161
  582   2HB   ALA  72           HB2      ALA  72  53.725 -15.260   8.308
  583   3HB   ALA  72           HB1      ALA  72  54.075 -15.207   6.581
  584    H    PHE  73           HN       PHE  73  50.455 -17.191   6.844
  585    HA   PHE  73           HA       PHE  73  49.942 -17.940   9.708
  586   1HB   PHE  73           HB2      PHE  73  48.328 -16.247   7.771
  587   2HB   PHE  73           HB1      PHE  73  47.796 -16.690   9.398
  588    HD1  PHE  73           HD1      PHE  73  49.835 -16.318  11.217
  589    HD2  PHE  73           HD2      PHE  73  49.204 -14.101   7.592
  590    HE1  PHE  73           HE1      PHE  73  51.122 -14.417  12.154
  591    HE2  PHE  73           HE2      PHE  73  50.492 -12.201   8.530
  592    HZ   PHE  73           HZ       PHE  73  51.452 -12.359  10.810
  593    H    GLU  74           HN       GLU  74  50.222 -19.391   6.909
  594    HA   GLU  74           HA       GLU  74  49.262 -21.328   5.956
  595   1HB   GLU  74           HB2      GLU  74  47.565 -21.363   8.463
  596   2HB   GLU  74           HB1      GLU  74  48.132 -22.741   7.519
  597   1HG   GLU  74           HG2      GLU  74  50.461 -21.343   8.221
  598   2HG   GLU  74           HG1      GLU  74  49.466 -21.333   9.678
  599    H    GLN  75           HN       GLN  75  46.482 -22.169   6.430
  600    HA   GLN  75           HA       GLN  75  44.930 -19.867   5.324
  601   1HB   GLN  75           HB2      GLN  75  44.975 -22.666   4.160
  602   2HB   GLN  75           HB1      GLN  75  44.215 -21.235   3.463
  603   1HG   GLN  75           HG2      GLN  75  46.486 -20.170   3.334
  604   2HG   GLN  75           HG1      GLN  75  47.183 -21.704   3.856
  605   1HE2  GLN  75          HE22      GLN  75  46.624 -23.331   0.732
  606   2HE2  GLN  75          HE21      GLN  75  46.928 -23.579   2.384
  607    H    GLY  76           HN       GLY  76  42.846 -22.044   4.684
  608   1HA   GLY  76           HA2      GLY  76  42.032 -22.697   7.481
  609   2HA   GLY  76           HA1      GLY  76  40.886 -21.923   6.386
  610    H    GLY  77           HN       GLY  77  42.863 -24.848   6.803
  611   1HA   GLY  77           HA2      GLY  77  41.976 -26.366   4.625
  612   2HA   GLY  77           HA1      GLY  77  42.384 -27.067   6.192
   
  No H/Q in entry =         612
  Start of MODEL    7
    1   1H    ALA   1           HT2      ALA   1  70.812 -12.941   3.872
    2   2H    ALA   1           HT1      ALA   1  69.551 -14.001   3.454
    3   3H    ALA   1           HT3      ALA   1  70.625 -13.448   2.262
    4    HA   ALA   1           HA       ALA   1  69.743 -11.284   2.281
    5   1HB   ALA   1           HB3      ALA   1  67.836 -13.596   2.427
    6   2HB   ALA   1           HB2      ALA   1  67.183 -11.969   2.229
    7   3HB   ALA   1           HB1      ALA   1  68.301 -12.622   1.031
    8    H    LYS   2           HN       LYS   2  70.027  -9.909   4.053
    9    HA   LYS   2           HA       LYS   2  68.200 -10.316   6.397
   10   1HB   LYS   2           HB2      LYS   2  70.978  -9.195   6.034
   11   2HB   LYS   2           HB1      LYS   2  70.027  -8.793   7.464
   12   1HG   LYS   2           HG2      LYS   2  69.914 -11.641   6.916
   13   2HG   LYS   2           HG1      LYS   2  71.583 -11.098   7.087
   14   1HD   LYS   2           HD2      LYS   2  69.533 -10.156   9.065
   15   2HD   LYS   2           HD1      LYS   2  70.203 -11.779   9.227
   16   1HE   LYS   2           HE2      LYS   2  72.048 -10.896  10.196
   17   2HE   LYS   2           HE1      LYS   2  72.377  -9.988   8.707
   18   1HZ   LYS   2           HZ2      LYS   2  70.384  -8.556   9.611
   19   2HZ   LYS   2           HZ1      LYS   2  70.922  -9.151  11.110
   20   3HZ   LYS   2           HZ3      LYS   2  71.978  -8.261  10.124
   21    H    GLN   3           HN       GLN   3  67.652  -8.866   3.794
   22    HA   GLN   3           HA       GLN   3  66.915  -6.227   5.007
   23   1HB   GLN   3           HB2      GLN   3  68.070  -6.727   2.242
   24   2HB   GLN   3           HB1      GLN   3  67.620  -5.156   2.904
   25   1HG   GLN   3           HG2      GLN   3  69.654  -4.968   3.838
   26   2HG   GLN   3           HG1      GLN   3  69.357  -6.429   4.779
   27   1HE2  GLN   3          HE22      GLN   3  71.388  -6.771   1.213
   28   2HE2  GLN   3          HE21      GLN   3  70.329  -5.464   1.440
   29    H    ASP   4           HN       ASP   4  65.191  -5.132   3.572
   30    HA   ASP   4           HA       ASP   4  63.719  -6.519   1.598
   31   1HB   ASP   4           HB2      ASP   4  62.713  -8.159   2.796
   32   2HB   ASP   4           HB1      ASP   4  63.512  -7.570   4.251
   33    H    TYR   5           HN       TYR   5  63.647  -4.419   0.830
   34    HA   TYR   5           HA       TYR   5  63.056  -2.086   0.898
   35   1HB   TYR   5           HB2      TYR   5  60.280  -2.657   0.915
   36   2HB   TYR   5           HB1      TYR   5  61.331  -2.447  -0.476
   37    HD1  TYR   5           HD2      TYR   5  60.048  -4.985   1.934
   38    HD2  TYR   5           HD1      TYR   5  62.015  -4.272  -1.819
   39    HE1  TYR   5           HE2      TYR   5  59.850  -7.393   1.368
   40    HE2  TYR   5           HE1      TYR   5  61.821  -6.683  -2.377
   41    HH   TYR   5           HH       TYR   5  60.136  -8.941  -0.195
   42    H    TYR   6           HN       TYR   6  60.306  -3.386   2.792
   43    HA   TYR   6           HA       TYR   6  59.954  -1.196   4.484
   44   1HB   TYR   6           HB2      TYR   6  59.624  -4.171   4.845
   45   2HB   TYR   6           HB1      TYR   6  59.181  -3.043   6.130
   46    HD1  TYR   6           HD1      TYR   6  57.532  -1.214   5.668
   47    HD2  TYR   6           HD2      TYR   6  58.234  -4.418   2.891
   48    HE1  TYR   6           HE1      TYR   6  55.409  -0.677   4.505
   49    HE2  TYR   6           HE2      TYR   6  56.101  -3.877   1.730
   50    HH   TYR   6           HH       TYR   6  54.141  -1.078   2.756
   51    H    GLU   7           HN       GLU   7  62.430  -3.718   4.546
   52    HA   GLU   7           HA       GLU   7  63.592  -2.702   7.088
   53   1HB   GLU   7           HB2      GLU   7  63.487  -5.146   5.754
   54   2HB   GLU   7           HB1      GLU   7  65.129  -4.588   5.435
   55   1HG   GLU   7           HG2      GLU   7  64.506  -4.051   8.181
   56   2HG   GLU   7           HG1      GLU   7  64.111  -5.736   7.835
   57    H    ILE   8           HN       ILE   8  64.014  -2.624   3.614
   58    HA   ILE   8           HA       ILE   8  66.590  -1.582   3.270
   59    HB   ILE   8           HB       ILE   8  63.973  -1.087   1.894
   60   1HG1  ILE   8          HG12      ILE   8  65.042  -3.424   2.030
   61   2HG1  ILE   8          HG11      ILE   8  64.663  -2.835   0.410
   62   1HG2  ILE   8          HG22      ILE   8  66.759  -0.332   1.042
   63   2HG2  ILE   8          HG21      ILE   8  65.378  -0.393  -0.054
   64   3HG2  ILE   8          HG23      ILE   8  65.384   0.746   1.291
   65   1HD1  ILE   8          HD12      ILE   8  67.364  -2.258   1.584
   66   2HD1  ILE   8          HD11      ILE   8  67.040  -3.858   0.916
   67   3HD1  ILE   8          HD13      ILE   8  66.897  -2.429  -0.108
   68    H    LEU   9           HN       LEU   9  63.532   0.123   3.773
   69    HA   LEU   9           HA       LEU   9  64.786   2.774   4.022
   70   1HB   LEU   9           HB2      LEU   9  61.990   1.702   4.521
   71   2HB   LEU   9           HB1      LEU   9  62.417   3.407   4.343
   72    HG   LEU   9           HG       LEU   9  63.459   1.764   2.173
   73   1HD1  LEU   9          HD11      LEU   9  60.858   1.084   3.066
   74   2HD1  LEU   9          HD13      LEU   9  60.657   2.041   1.598
   75   3HD1  LEU   9          HD12      LEU   9  61.649   0.584   1.574
   76   1HD2  LEU   9          HD22      LEU   9  63.252   4.281   2.291
   77   2HD2  LEU   9          HD21      LEU   9  62.564   3.566   0.833
   78   3HD2  LEU   9          HD23      LEU   9  61.507   4.080   2.147
   79    H    GLY  10           HN       GLY  10  64.609   0.138   6.051
   80   1HA   GLY  10           HA2      GLY  10  65.181  -0.014   8.334
   81   2HA   GLY  10           HA1      GLY  10  65.216   1.748   8.406
   82    H    VAL  11           HN       VAL  11  62.344   0.578   6.987
   83    HA   VAL  11           HA       VAL  11  60.881   1.273   9.493
   84    HB   VAL  11           HB       VAL  11  59.112   0.621   7.357
   85   1HG1  VAL  11          HG13      VAL  11  59.978   3.132   8.758
   86   2HG1  VAL  11          HG12      VAL  11  58.756   3.160   7.487
   87   3HG1  VAL  11          HG11      VAL  11  58.481   2.220   8.953
   88   1HG2  VAL  11          HG21      VAL  11  61.515   2.196   6.507
   89   2HG2  VAL  11          HG23      VAL  11  60.624   0.956   5.625
   90   3HG2  VAL  11          HG22      VAL  11  59.928   2.562   5.834
   91    H    SER  12           HN       SER  12  58.727  -0.073   9.654
   92    HA   SER  12           HA       SER  12  59.524  -2.893   9.942
   93   1HB   SER  12           HB2      SER  12  57.577  -1.002  11.039
   94   2HB   SER  12           HB1      SER  12  56.881  -2.588  10.720
   95    HG   SER  12           HG       SER  12  58.797  -1.800  12.555
   96    H    LYS  13           HN       LYS  13  58.414  -4.618   8.857
   97    HA   LYS  13           HA       LYS  13  57.645  -4.191   6.182
   98   1HB   LYS  13           HB2      LYS  13  56.863  -6.448   6.284
   99   2HB   LYS  13           HB1      LYS  13  58.224  -6.338   7.398
  100   1HG   LYS  13           HG2      LYS  13  56.132  -5.641   9.029
  101   2HG   LYS  13           HG1      LYS  13  55.369  -6.824   7.966
  102   1HD   LYS  13           HD2      LYS  13  56.321  -8.449   9.200
  103   2HD   LYS  13           HD1      LYS  13  57.890  -7.906   8.604
  104   1HE   LYS  13           HE2      LYS  13  57.913  -6.196  10.480
  105   2HE   LYS  13           HE1      LYS  13  56.478  -7.010  11.138
  106   1HZ   LYS  13           HZ3      LYS  13  58.907  -8.518  10.375
  107   2HZ   LYS  13           HZ2      LYS  13  58.735  -7.848  11.927
  108   3HZ   LYS  13           HZ1      LYS  13  57.630  -9.014  11.375
  109    H    THR  14           HN       THR  14  55.978  -3.579   9.119
  110    HA   THR  14           HA       THR  14  53.361  -3.246   7.741
  111    HB   THR  14           HB       THR  14  52.444  -3.646   9.827
  112    HG1  THR  14           HG1      THR  14  53.000  -2.095  11.126
  113   1HG2  THR  14          HG23      THR  14  54.249  -5.428   9.287
  114   2HG2  THR  14          HG22      THR  14  55.187  -4.657  10.565
  115   3HG2  THR  14          HG21      THR  14  53.617  -5.372  10.933
  116    H    ALA  15           HN       ALA  15  56.032  -1.439   7.988
  117    HA   ALA  15           HA       ALA  15  55.474   0.970   9.305
  118   1HB   ALA  15           HB3      ALA  15  57.563   0.223   8.213
  119   2HB   ALA  15           HB2      ALA  15  56.815   0.500   6.640
  120   3HB   ALA  15           HB1      ALA  15  57.100   1.853   7.733
  121    H    GLU  16           HN       GLU  16  55.712   2.598   6.772
  122    HA   GLU  16           HA       GLU  16  53.119   2.407   5.450
  123   1HB   GLU  16           HB2      GLU  16  53.603   4.032   7.819
  124   2HB   GLU  16           HB1      GLU  16  53.134   5.038   6.444
  125   1HG   GLU  16           HG2      GLU  16  51.311   3.118   6.125
  126   2HG   GLU  16           HG1      GLU  16  51.582   2.908   7.857
  127    H    GLU  17           HN       GLU  17  53.066   4.965   4.417
  128    HA   GLU  17           HA       GLU  17  55.413   4.926   2.628
  129   1HB   GLU  17           HB2      GLU  17  54.031   6.367   1.265
  130   2HB   GLU  17           HB1      GLU  17  53.005   5.084   1.907
  131   1HG   GLU  17           HG2      GLU  17  52.442   6.685   3.819
  132   2HG   GLU  17           HG1      GLU  17  53.200   7.949   2.849
  133    H    ARG  18           HN       ARG  18  54.302   6.836   5.341
  134    HA   ARG  18           HA       ARG  18  55.833   9.220   4.572
  135   1HB   ARG  18           HB2      ARG  18  54.989  10.026   6.778
  136   2HB   ARG  18           HB1      ARG  18  53.702   9.362   5.770
  137   1HG   ARG  18           HG2      ARG  18  53.656   7.318   6.999
  138   2HG   ARG  18           HG1      ARG  18  55.178   7.690   7.809
  139   1HD   ARG  18           HD2      ARG  18  54.138   8.940   9.405
  140   2HD   ARG  18           HD1      ARG  18  53.098   9.743   8.212
  141    HE   ARG  18           HE       ARG  18  52.289   7.020   8.388
  142   1HH1  ARG  18          HH11      ARG  18  52.935   8.859  11.074
  143   2HH1  ARG  18          HH12      ARG  18  51.307   8.926  11.660
  144   1HH2  ARG  18          HH21      ARG  18  49.930   7.551   8.791
  145   2HH2  ARG  18          HH22      ARG  18  49.608   8.183  10.372
  146    H    GLU  19           HN       GLU  19  56.520   6.360   6.410
  147    HA   GLU  19           HA       GLU  19  58.895   7.616   7.651
  148   1HB   GLU  19           HB2      GLU  19  58.895   5.338   8.819
  149   2HB   GLU  19           HB1      GLU  19  57.524   6.372   9.183
  150   1HG   GLU  19           HG2      GLU  19  57.229   4.556   6.850
  151   2HG   GLU  19           HG1      GLU  19  57.264   3.789   8.438
  152    H    ILE  20           HN       ILE  20  57.814   5.663   5.061
  153    HA   ILE  20           HA       ILE  20  60.363   4.265   4.616
  154    HB   ILE  20           HB       ILE  20  57.620   4.051   3.914
  155   1HG1  ILE  20          HG12      ILE  20  59.062   2.056   2.554
  156   2HG1  ILE  20          HG11      ILE  20  60.025   2.465   3.974
  157   1HG2  ILE  20          HG21      ILE  20  58.189   5.377   1.872
  158   2HG2  ILE  20          HG23      ILE  20  59.345   4.123   1.435
  159   3HG2  ILE  20          HG22      ILE  20  57.628   3.753   1.531
  160   1HD1  ILE  20          HD12      ILE  20  57.509   2.405   5.044
  161   2HD1  ILE  20          HD11      ILE  20  57.382   1.158   3.803
  162   3HD1  ILE  20          HD13      ILE  20  58.620   1.035   5.053
  163    H    ARG  21           HN       ARG  21  58.435   6.837   3.042
  164    HA   ARG  21           HA       ARG  21  60.362   7.603   1.072
  165   1HB   ARG  21           HB2      ARG  21  59.072   9.764   1.179
  166   2HB   ARG  21           HB1      ARG  21  58.007   8.361   1.115
  167   1HG   ARG  21           HG2      ARG  21  57.048   9.566   2.858
  168   2HG   ARG  21           HG1      ARG  21  58.143   8.513   3.746
  169   1HD   ARG  21           HD2      ARG  21  58.919  10.460   4.670
  170   2HD   ARG  21           HD1      ARG  21  59.774  10.661   3.129
  171    HE   ARG  21           HE       ARG  21  58.072  12.186   2.410
  172   1HH1  ARG  21          HH11      ARG  21  58.085  11.773   5.717
  173   2HH1  ARG  21          HH12      ARG  21  56.474  12.350   5.985
  174   1HH2  ARG  21          HH21      ARG  21  55.674  12.468   2.613
  175   2HH2  ARG  21          HH22      ARG  21  55.108  12.742   4.226
  176    H    LYS  22           HN       LYS  22  59.851   8.329   4.433
  177    HA   LYS  22           HA       LYS  22  61.724  10.409   4.891
  178   1HB   LYS  22           HB2      LYS  22  59.799   9.365   6.279
  179   2HB   LYS  22           HB1      LYS  22  60.978   8.158   6.779
  180   1HG   LYS  22           HG2      LYS  22  61.117  11.155   7.219
  181   2HG   LYS  22           HG1      LYS  22  60.970   9.902   8.449
  182   1HD   LYS  22           HD2      LYS  22  63.347  10.336   6.621
  183   2HD   LYS  22           HD1      LYS  22  63.282  10.696   8.339
  184   1HE   LYS  22           HE2      LYS  22  62.458   7.955   7.893
  185   2HE   LYS  22           HE1      LYS  22  64.057   8.245   7.182
  186   1HZ   LYS  22           HZ1      LYS  22  63.335   9.257   9.867
  187   2HZ   LYS  22           HZ3      LYS  22  63.991   7.708   9.652
  188   3HZ   LYS  22           HZ2      LYS  22  64.883   9.079   9.190
  189    H    ALA  23           HN       ALA  23  62.084   6.872   5.360
  190    HA   ALA  23           HA       ALA  23  64.705   6.701   6.263
  191   1HB   ALA  23           HB2      ALA  23  63.098   4.838   5.879
  192   2HB   ALA  23           HB1      ALA  23  63.346   5.007   4.141
  193   3HB   ALA  23           HB3      ALA  23  64.679   4.492   5.175
  194    H    TYR  24           HN       TYR  24  63.720   6.615   2.851
  195    HA   TYR  24           HA       TYR  24  66.355   6.820   1.752
  196   1HB   TYR  24           HB2      TYR  24  64.169   6.045   0.699
  197   2HB   TYR  24           HB1      TYR  24  63.707   7.738   0.583
  198    HD1  TYR  24           HD1      TYR  24  67.223   6.628   0.192
  199    HD2  TYR  24           HD2      TYR  24  63.616   7.791  -1.836
  200    HE1  TYR  24           HE1      TYR  24  68.490   6.885  -1.918
  201    HE2  TYR  24           HE2      TYR  24  64.888   8.043  -3.947
  202    HH   TYR  24           HH       TYR  24  67.037   8.289  -4.778
  203    H    LYS  25           HN       LYS  25  64.259   9.009   3.267
  204    HA   LYS  25           HA       LYS  25  65.338  11.450   2.075
  205   1HB   LYS  25           HB2      LYS  25  63.097  10.448   3.542
  206   2HB   LYS  25           HB1      LYS  25  63.792  11.787   4.451
  207   1HG   LYS  25           HG2      LYS  25  62.571  13.103   3.049
  208   2HG   LYS  25           HG1      LYS  25  63.845  12.759   1.877
  209   1HD   LYS  25           HD2      LYS  25  62.598  10.805   1.065
  210   2HD   LYS  25           HD1      LYS  25  61.333  11.109   2.254
  211   1HE   LYS  25           HE2      LYS  25  61.157  13.470   1.178
  212   2HE   LYS  25           HE1      LYS  25  62.042  12.750  -0.182
  213   1HZ   LYS  25           HZ3      LYS  25  60.407  10.916  -0.152
  214   2HZ   LYS  25           HZ2      LYS  25  59.510  11.761   1.018
  215   3HZ   LYS  25           HZ1      LYS  25  59.709  12.412  -0.539
  216    H    ARG  26           HN       ARG  26  65.204  10.034   5.362
  217    HA   ARG  26           HA       ARG  26  67.274  11.861   6.343
  218   1HB   ARG  26           HB2      ARG  26  65.315   9.917   7.348
  219   2HB   ARG  26           HB1      ARG  26  66.829   9.909   8.251
  220   1HG   ARG  26           HG2      ARG  26  66.442  12.583   8.000
  221   2HG   ARG  26           HG1      ARG  26  64.767  12.030   8.040
  222   1HD   ARG  26           HD2      ARG  26  64.905  11.388  10.238
  223   2HD   ARG  26           HD1      ARG  26  66.568  10.792  10.058
  224    HE   ARG  26           HE       ARG  26  67.327  13.159  10.126
  225   1HH1  ARG  26          HH21      ARG  26  64.697  14.466   9.514
  226   2HH1  ARG  26          HH22      ARG  26  64.202  15.034  11.074
  227   1HH2  ARG  26          HH11      ARG  26  66.432  13.024  12.808
  228   2HH2  ARG  26          HH12      ARG  26  65.187  14.222  12.937
  229    H    LEU  27           HN       LEU  27  67.080   8.466   5.319
  230    HA   LEU  27           HA       LEU  27  69.747   7.814   6.309
  231   1HB   LEU  27           HB2      LEU  27  69.169   5.670   5.681
  232   2HB   LEU  27           HB1      LEU  27  67.553   6.366   5.788
  233    HG   LEU  27           HG       LEU  27  68.002   6.984   3.260
  234   1HD1  LEU  27          HD11      LEU  27  70.407   5.885   3.730
  235   2HD1  LEU  27          HD13      LEU  27  69.534   4.426   3.258
  236   3HD1  LEU  27          HD12      LEU  27  69.630   5.795   2.150
  237   1HD2  LEU  27          HD23      LEU  27  66.498   5.114   4.523
  238   2HD2  LEU  27          HD22      LEU  27  66.569   5.258   2.766
  239   3HD2  LEU  27          HD21      LEU  27  67.564   4.060   3.594
  240    H    ALA  28           HN       ALA  28  68.309   8.819   3.229
  241    HA   ALA  28           HA       ALA  28  70.799   8.352   1.772
  242   1HB   ALA  28           HB1      ALA  28  68.278   8.289   1.040
  243   2HB   ALA  28           HB3      ALA  28  68.502  10.024   0.818
  244   3HB   ALA  28           HB2      ALA  28  69.495   8.884  -0.090
  245    H    MET  29           HN       MET  29  69.030  11.165   3.072
  246    HA   MET  29           HA       MET  29  70.715  13.199   2.039
  247   1HB   MET  29           HB2      MET  29  69.802  14.518   3.850
  248   2HB   MET  29           HB1      MET  29  68.544  13.373   3.388
  249   1HG   MET  29           HG2      MET  29  69.058  11.934   5.245
  250   2HG   MET  29           HG1      MET  29  70.521  12.844   5.619
  251   1HE   MET  29           HE3      MET  29  70.422  15.263   5.479
  252   2HE   MET  29           HE2      MET  29  68.939  16.213   5.430
  253   3HE   MET  29           HE1      MET  29  69.774  15.976   6.963
  254    H    LYS  30           HN       LYS  30  71.145  10.828   4.570
  255    HA   LYS  30           HA       LYS  30  73.672  12.045   5.536
  256   1HB   LYS  30           HB2      LYS  30  71.696  10.036   6.359
  257   2HB   LYS  30           HB1      LYS  30  73.357   9.521   6.656
  258   1HG   LYS  30           HG2      LYS  30  73.403  10.843   8.477
  259   2HG   LYS  30           HG1      LYS  30  73.212  12.246   7.424
  260   1HD   LYS  30           HD2      LYS  30  70.730  11.866   7.474
  261   2HD   LYS  30           HD1      LYS  30  70.995  10.599   8.672
  262   1HE   LYS  30           HE2      LYS  30  72.383  12.551   9.880
  263   2HE   LYS  30           HE1      LYS  30  71.240  13.562   8.973
  264   1HZ   LYS  30           HZ2      LYS  30  69.503  11.884   9.769
  265   2HZ   LYS  30           HZ1      LYS  30  70.655  11.426  10.930
  266   3HZ   LYS  30           HZ3      LYS  30  70.073  13.018  10.899
  267    H    TYR  31           HN       TYR  31  72.574   9.758   3.206
  268    HA   TYR  31           HA       TYR  31  75.340   8.642   2.872
  269   1HB   TYR  31           HB2      TYR  31  72.586   7.587   2.737
  270   2HB   TYR  31           HB1      TYR  31  73.620   7.076   1.404
  271    HD1  TYR  31           HD1      TYR  31  76.272   6.991   2.723
  272    HD2  TYR  31           HD2      TYR  31  72.429   5.687   4.122
  273    HE1  TYR  31           HE1      TYR  31  77.375   5.350   4.218
  274    HE2  TYR  31           HE2      TYR  31  73.529   4.045   5.617
  275    HH   TYR  31           HH       TYR  31  75.718   3.733   6.710
  276    H    HIS  32           HN       HIS  32  73.779  11.106   1.800
  277    HA   HIS  32           HA       HIS  32  73.360  10.929  -0.982
  278   1HB   HIS  32           HB2      HIS  32  73.410  13.360  -0.713
  279   2HB   HIS  32           HB1      HIS  32  72.682  12.626   0.700
  280    HD1  HIS  32           HD1      HIS  32  73.675  15.128   1.604
  281    HD2  HIS  32           HD2      HIS  32  76.330  11.953   1.118
  282    HE1  HIS  32           HE1      HIS  32  75.718  15.688   2.991
  283    HA   PRO  33           HA       PRO  33  77.257  11.292  -2.925
  284   1HB   PRO  33           HB2      PRO  33  78.237  13.827  -3.291
  285   2HB   PRO  33           HB1      PRO  33  76.933  13.121  -4.268
  286   1HG   PRO  33           HG2      PRO  33  76.769  14.998  -1.972
  287   2HG   PRO  33           HG1      PRO  33  75.822  14.956  -3.465
  288   1HD   PRO  33           HD2      PRO  33  74.923  14.080  -1.100
  289   2HD   PRO  33           HD1      PRO  33  74.364  13.407  -2.646
  290    H    ASP  34           HN       ASP  34  77.509  10.692  -0.346
  291    HA   ASP  34           HA       ASP  34  80.000  12.059   0.612
  292   1HB   ASP  34           HB2      ASP  34  79.324  11.248   2.821
  293   2HB   ASP  34           HB1      ASP  34  77.942  12.056   2.086
  294    H    ARG  35           HN       ARG  35  78.347   8.962   0.121
  295    HA   ARG  35           HA       ARG  35  80.983   7.658  -0.350
  296   1HB   ARG  35           HB2      ARG  35  80.168   5.749   1.001
  297   2HB   ARG  35           HB1      ARG  35  80.183   7.224   1.968
  298   1HG   ARG  35           HG2      ARG  35  78.067   6.270   2.424
  299   2HG   ARG  35           HG1      ARG  35  77.722   7.506   1.214
  300   1HD   ARG  35           HD2      ARG  35  76.848   5.921  -0.126
  301   2HD   ARG  35           HD1      ARG  35  78.428   5.115  -0.177
  302    HE   ARG  35           HE       ARG  35  76.428   4.608   1.996
  303   1HH1  ARG  35          HH11      ARG  35  79.551   3.886   1.142
  304   2HH1  ARG  35          HH12      ARG  35  79.357   2.165   1.132
  305   1HH2  ARG  35          HH21      ARG  35  75.905   2.286   1.419
  306   2HH2  ARG  35          HH22      ARG  35  77.293   1.260   1.282
  307    H    ASN  36           HN       ASN  36  77.483   7.862  -0.896
  308    HA   ASN  36           HA       ASN  36  76.867   5.640  -2.410
  309   1HB   ASN  36           HB2      ASN  36  76.035   8.407  -2.145
  310   2HB   ASN  36           HB1      ASN  36  75.821   7.848  -3.803
  311   1HD2  ASN  36          HD22      ASN  36  72.980   6.834  -1.339
  312   2HD2  ASN  36          HD21      ASN  36  73.899   8.259  -1.333
  313    H    GLN  37           HN       GLN  37  79.087   8.200  -3.247
  314    HA   GLN  37           HA       GLN  37  79.295   8.257  -5.972
  315   1HB   GLN  37           HB2      GLN  37  81.603   7.754  -4.066
  316   2HB   GLN  37           HB1      GLN  37  81.678   8.613  -5.604
  317   1HG   GLN  37           HG2      GLN  37  79.614   9.834  -4.084
  318   2HG   GLN  37           HG1      GLN  37  81.004   9.655  -3.012
  319   1HE2  GLN  37          HE22      GLN  37  82.807  12.235  -4.582
  320   2HE2  GLN  37          HE21      GLN  37  82.639  11.200  -3.247
  321    H    GLY  38           HN       GLY  38  79.951   5.478  -3.904
  322   1HA   GLY  38           HA2      GLY  38  81.308   3.916  -5.941
  323   2HA   GLY  38           HA1      GLY  38  80.617   3.283  -4.445
  324    H    ASP  39           HN       ASP  39  79.443   4.735  -7.506
  325    HA   ASP  39           HA       ASP  39  76.834   3.630  -7.452
  326   1HB   ASP  39           HB2      ASP  39  77.022   3.994  -9.956
  327   2HB   ASP  39           HB1      ASP  39  77.492   5.385  -8.977
  328    H    LYS  40           HN       LYS  40  79.861   2.055  -7.913
  329    HA   LYS  40           HA       LYS  40  78.758  -0.212  -9.440
  330   1HB   LYS  40           HB2      LYS  40  81.262   1.000  -8.913
  331   2HB   LYS  40           HB1      LYS  40  81.349  -0.642  -8.274
  332   1HG   LYS  40           HG2      LYS  40  80.483  -1.490 -10.465
  333   2HG   LYS  40           HG1      LYS  40  80.559   0.158 -11.091
  334   1HD   LYS  40           HD2      LYS  40  82.865   0.181 -11.148
  335   2HD   LYS  40           HD1      LYS  40  83.014  -0.939  -9.793
  336   1HE   LYS  40           HE2      LYS  40  81.759  -2.500 -11.697
  337   2HE   LYS  40           HE1      LYS  40  82.873  -1.520 -12.671
  338   1HZ   LYS  40           HZ1      LYS  40  83.823  -2.597 -10.115
  339   2HZ   LYS  40           HZ3      LYS  40  83.715  -3.659 -11.434
  340   3HZ   LYS  40           HZ2      LYS  40  84.689  -2.272 -11.540
  341    H    GLU  41           HN       GLU  41  77.779   0.476  -6.653
  342    HA   GLU  41           HA       GLU  41  77.469  -2.159  -5.608
  343   1HB   GLU  41           HB2      GLU  41  79.050  -1.564  -3.547
  344   2HB   GLU  41           HB1      GLU  41  79.721  -2.288  -5.007
  345   1HG   GLU  41           HG2      GLU  41  80.581  -0.232  -5.779
  346   2HG   GLU  41           HG1      GLU  41  79.533   0.706  -4.718
  347    H    ALA  42           HN       ALA  42  77.804   1.291  -4.857
  348    HA   ALA  42           HA       ALA  42  75.829   1.132  -2.669
  349   1HB   ALA  42           HB1      ALA  42  77.853   2.972  -3.722
  350   2HB   ALA  42           HB3      ALA  42  76.354   3.799  -3.299
  351   3HB   ALA  42           HB2      ALA  42  77.208   2.845  -2.086
  352    H    GLU  43           HN       GLU  43  75.933   1.574  -6.078
  353    HA   GLU  43           HA       GLU  43  73.804   3.335  -6.663
  354   1HB   GLU  43           HB2      GLU  43  75.148   2.233  -8.375
  355   2HB   GLU  43           HB1      GLU  43  74.546   0.655  -7.867
  356   1HG   GLU  43           HG2      GLU  43  72.706   0.868  -9.134
  357   2HG   GLU  43           HG1      GLU  43  72.337   2.437  -8.422
  358    H    ALA  44           HN       ALA  44  73.634  -0.175  -6.201
  359    HA   ALA  44           HA       ALA  44  70.913  -0.482  -6.478
  360   1HB   ALA  44           HB3      ALA  44  72.955  -2.117  -6.016
  361   2HB   ALA  44           HB2      ALA  44  72.376  -2.014  -4.353
  362   3HB   ALA  44           HB1      ALA  44  71.312  -2.622  -5.621
  363    H    LYS  45           HN       LYS  45  72.592  -0.156  -3.319
  364    HA   LYS  45           HA       LYS  45  70.408   0.037  -1.620
  365   1HB   LYS  45           HB2      LYS  45  72.669   0.182  -0.798
  366   2HB   LYS  45           HB1      LYS  45  72.969   1.656  -1.727
  367   1HG   LYS  45           HG2      LYS  45  71.244   2.835  -0.395
  368   2HG   LYS  45           HG1      LYS  45  70.989   1.371   0.555
  369   1HD   LYS  45           HD2      LYS  45  73.798   2.318   0.325
  370   2HD   LYS  45           HD1      LYS  45  72.716   3.311   1.303
  371   1HE   LYS  45           HE2      LYS  45  72.066   1.283   2.605
  372   2HE   LYS  45           HE1      LYS  45  73.238   0.337   1.665
  373   1HZ   LYS  45           HZ1      LYS  45  74.265   2.831   2.700
  374   2HZ   LYS  45           HZ3      LYS  45  73.844   1.712   3.904
  375   3HZ   LYS  45           HZ2      LYS  45  74.966   1.283   2.703
  376    H    PHE  46           HN       PHE  46  71.515   2.422  -3.976
  377    HA   PHE  46           HA       PHE  46  69.870   4.605  -3.051
  378   1HB   PHE  46           HB2      PHE  46  71.759   4.022  -5.110
  379   2HB   PHE  46           HB1      PHE  46  70.317   4.671  -5.889
  380    HD1  PHE  46           HD2      PHE  46  69.339   6.400  -3.603
  381    HD2  PHE  46           HD1      PHE  46  73.240   5.888  -5.325
  382    HE1  PHE  46           HE2      PHE  46  69.965   8.683  -2.863
  383    HE2  PHE  46           HE1      PHE  46  73.866   8.170  -4.587
  384    HZ   PHE  46           HZ       PHE  46  72.229   9.568  -3.355
  385    H    LYS  47           HN       LYS  47  69.394   2.197  -5.685
  386    HA   LYS  47           HA       LYS  47  66.590   3.127  -5.917
  387   1HB   LYS  47           HB2      LYS  47  66.563   1.290  -7.732
  388   2HB   LYS  47           HB1      LYS  47  67.605   2.676  -8.018
  389   1HG   LYS  47           HG2      LYS  47  68.858   0.720  -8.590
  390   2HG   LYS  47           HG1      LYS  47  69.520   1.306  -7.077
  391   1HD   LYS  47           HD2      LYS  47  69.103  -0.692  -6.138
  392   2HD   LYS  47           HD1      LYS  47  67.384  -0.459  -6.441
  393   1HE   LYS  47           HE2      LYS  47  68.021  -2.513  -7.551
  394   2HE   LYS  47           HE1      LYS  47  67.795  -1.290  -8.816
  395   1HZ   LYS  47           HZ3      LYS  47  70.211  -0.765  -8.538
  396   2HZ   LYS  47           HZ2      LYS  47  70.347  -2.162  -7.579
  397   3HZ   LYS  47           HZ1      LYS  47  69.892  -2.290  -9.211
  398    H    GLU  48           HN       GLU  48  68.425   0.531  -4.506
  399    HA   GLU  48           HA       GLU  48  66.444  -1.454  -4.101
  400   1HB   GLU  48           HB2      GLU  48  68.789  -0.363  -2.535
  401   2HB   GLU  48           HB1      GLU  48  67.811  -1.668  -1.872
  402   1HG   GLU  48           HG2      GLU  48  69.334  -1.678  -4.486
  403   2HG   GLU  48           HG1      GLU  48  69.677  -2.653  -3.056
  404    H    ILE  49           HN       ILE  49  67.143   1.589  -2.605
  405    HA   ILE  49           HA       ILE  49  65.112   1.434  -0.499
  406    HB   ILE  49           HB       ILE  49  67.021   3.443  -1.651
  407   1HG1  ILE  49          HG12      ILE  49  66.844   2.386   1.154
  408   2HG1  ILE  49          HG11      ILE  49  67.652   1.477  -0.122
  409   1HG2  ILE  49          HG21      ILE  49  64.913   3.866   0.463
  410   2HG2  ILE  49          HG23      ILE  49  66.349   4.883   0.344
  411   3HG2  ILE  49          HG22      ILE  49  65.197   4.821  -0.991
  412   1HD1  ILE  49          HD12      ILE  49  68.766   3.922  -0.500
  413   2HD1  ILE  49          HD11      ILE  49  68.496   3.969   1.243
  414   3HD1  ILE  49          HD13      ILE  49  69.474   2.683   0.536
  415    H    LYS  50           HN       LYS  50  65.615   3.306  -3.468
  416    HA   LYS  50           HA       LYS  50  63.065   4.664  -3.396
  417   1HB   LYS  50           HB2      LYS  50  65.091   5.362  -4.673
  418   2HB   LYS  50           HB1      LYS  50  64.880   3.967  -5.735
  419   1HG   LYS  50           HG2      LYS  50  62.414   4.991  -5.942
  420   2HG   LYS  50           HG1      LYS  50  63.280   6.479  -5.562
  421   1HD   LYS  50           HD2      LYS  50  64.771   4.951  -7.506
  422   2HD   LYS  50           HD1      LYS  50  63.118   5.195  -8.073
  423   1HE   LYS  50           HE2      LYS  50  63.515   7.681  -7.263
  424   2HE   LYS  50           HE1      LYS  50  65.225   7.247  -7.466
  425   1HZ   LYS  50           HZ1      LYS  50  64.676   6.382  -9.679
  426   2HZ   LYS  50           HZ3      LYS  50  63.075   6.911  -9.492
  427   3HZ   LYS  50           HZ2      LYS  50  64.340   8.043  -9.554
  428    H    GLU  51           HN       GLU  51  64.184   1.650  -4.863
  429    HA   GLU  51           HA       GLU  51  61.825   1.029  -6.388
  430   1HB   GLU  51           HB2      GLU  51  64.160   0.093  -6.587
  431   2HB   GLU  51           HB1      GLU  51  63.869  -0.800  -5.095
  432   1HG   GLU  51           HG2      GLU  51  63.168  -2.428  -6.546
  433   2HG   GLU  51           HG1      GLU  51  61.660  -1.513  -6.488
  434    H    ALA  52           HN       ALA  52  62.883   0.263  -3.081
  435    HA   ALA  52           HA       ALA  52  61.048  -1.598  -2.178
  436   1HB   ALA  52           HB2      ALA  52  62.098   0.974  -0.980
  437   2HB   ALA  52           HB1      ALA  52  61.147  -0.175  -0.038
  438   3HB   ALA  52           HB3      ALA  52  62.698  -0.664  -0.721
  439    H    TYR  53           HN       TYR  53  60.440   1.712  -3.139
  440    HA   TYR  53           HA       TYR  53  57.880   2.094  -1.998
  441   1HB   TYR  53           HB2      TYR  53  59.110   3.046  -4.595
  442   2HB   TYR  53           HB1      TYR  53  57.673   3.753  -3.855
  443    HD1  TYR  53           HD1      TYR  53  59.396   2.745  -1.092
  444    HD2  TYR  53           HD2      TYR  53  59.747   5.624  -4.260
  445    HE1  TYR  53           HE1      TYR  53  60.826   4.142   0.345
  446    HE2  TYR  53           HE2      TYR  53  61.181   7.027  -2.814
  447    HH   TYR  53           HH       TYR  53  62.114   7.265  -0.817
  448    H    GLU  54           HN       GLU  54  58.819   0.717  -5.140
  449    HA   GLU  54           HA       GLU  54  56.293   0.209  -6.261
  450   1HB   GLU  54           HB2      GLU  54  58.486  -1.871  -6.245
  451   2HB   GLU  54           HB1      GLU  54  57.412  -1.423  -7.570
  452   1HG   GLU  54           HG2      GLU  54  58.706   0.948  -6.992
  453   2HG   GLU  54           HG1      GLU  54  59.970  -0.261  -6.773
  454    H    VAL  55           HN       VAL  55  57.893  -1.205  -3.529
  455    HA   VAL  55           HA       VAL  55  55.904  -3.360  -3.339
  456    HB   VAL  55           HB       VAL  55  58.629  -3.005  -2.731
  457   1HG1  VAL  55          HG12      VAL  55  56.939  -3.376  -0.245
  458   2HG1  VAL  55          HG11      VAL  55  58.666  -3.731  -0.328
  459   3HG1  VAL  55          HG13      VAL  55  58.092  -2.078  -0.556
  460   1HG2  VAL  55          HG21      VAL  55  56.701  -5.071  -2.997
  461   2HG2  VAL  55          HG23      VAL  55  58.459  -5.218  -3.032
  462   3HG2  VAL  55          HG22      VAL  55  57.591  -5.375  -1.504
  463    H    LEU  56           HN       LEU  56  57.118  -0.645  -1.311
  464    HA   LEU  56           HA       LEU  56  54.859  -1.089   0.527
  465   1HB   LEU  56           HB2      LEU  56  56.409  -0.354   1.976
  466   2HB   LEU  56           HB1      LEU  56  57.516  -0.106   0.632
  467    HG   LEU  56           HG       LEU  56  57.296   1.936   1.942
  468   1HD1  LEU  56          HD12      LEU  56  56.661   1.647  -0.839
  469   2HD1  LEU  56          HD11      LEU  56  55.858   3.070  -0.183
  470   3HD1  LEU  56          HD13      LEU  56  57.608   2.903  -0.057
  471   1HD2  LEU  56          HD21      LEU  56  54.549   1.135   2.024
  472   2HD2  LEU  56          HD23      LEU  56  55.321   2.471   2.879
  473   3HD2  LEU  56          HD22      LEU  56  54.634   2.731   1.276
  474    H    THR  57           HN       THR  57  55.505   1.082  -2.181
  475    HA   THR  57           HA       THR  57  53.408   2.986  -1.293
  476    HB   THR  57           HB       THR  57  53.951   4.118  -3.446
  477    HG1  THR  57           HG1      THR  57  56.068   2.903  -4.256
  478   1HG2  THR  57          HG21      THR  57  55.366   4.400  -1.318
  479   2HG2  THR  57          HG23      THR  57  56.550   3.366  -2.114
  480   3HG2  THR  57          HG22      THR  57  56.098   4.903  -2.839
  481    H    ASP  58           HN       ASP  58  52.584   0.205  -1.748
  482    HA   ASP  58           HA       ASP  58  50.443   0.731  -3.726
  483   1HB   ASP  58           HB2      ASP  58  52.830  -0.773  -4.252
  484   2HB   ASP  58           HB1      ASP  58  51.458  -1.882  -4.236
  485    H    SER  59           HN       SER  59  48.676   0.265  -2.665
  486    HA   SER  59           HA       SER  59  48.346  -0.961  -0.278
  487   1HB   SER  59           HB2      SER  59  46.040  -1.629  -1.260
  488   2HB   SER  59           HB1      SER  59  46.491   0.072  -1.312
  489    HG   SER  59           HG       SER  59  45.969  -0.287  -3.360
  490    H    GLN  60           HN       GLN  60  48.334  -2.703  -3.404
  491    HA   GLN  60           HA       GLN  60  47.906  -5.321  -2.320
  492   1HB   GLN  60           HB2      GLN  60  47.870  -4.323  -4.753
  493   2HB   GLN  60           HB1      GLN  60  49.581  -4.753  -4.760
  494   1HG   GLN  60           HG2      GLN  60  48.338  -7.012  -3.706
  495   2HG   GLN  60           HG1      GLN  60  47.240  -6.483  -4.983
  496   1HE2  GLN  60          HE22      GLN  60  49.862  -6.789  -7.528
  497   2HE2  GLN  60          HE21      GLN  60  48.689  -5.662  -7.043
  498    H    LYS  61           HN       LYS  61  50.939  -3.737  -3.345
  499    HA   LYS  61           HA       LYS  61  52.749  -5.756  -2.445
  500   1HB   LYS  61           HB2      LYS  61  53.076  -2.766  -2.674
  501   2HB   LYS  61           HB1      LYS  61  54.366  -3.964  -2.721
  502   1HG   LYS  61           HG2      LYS  61  52.193  -3.478  -4.751
  503   2HG   LYS  61           HG1      LYS  61  53.937  -3.428  -4.989
  504   1HD   LYS  61           HD2      LYS  61  53.855  -5.937  -4.247
  505   2HD   LYS  61           HD1      LYS  61  52.146  -5.823  -4.670
  506   1HE   LYS  61           HE2      LYS  61  52.778  -6.223  -6.816
  507   2HE   LYS  61           HE1      LYS  61  53.491  -4.596  -6.813
  508   1HZ   LYS  61           HZ1      LYS  61  55.409  -5.739  -5.566
  509   2HZ   LYS  61           HZ3      LYS  61  54.783  -7.180  -6.206
  510   3HZ   LYS  61           HZ2      LYS  61  55.307  -5.945  -7.250
  511    H    ARG  62           HN       ARG  62  51.927  -2.663  -0.848
  512    HA   ARG  62           HA       ARG  62  53.380  -3.307   1.512
  513   1HB   ARG  62           HB2      ARG  62  52.287  -1.333   2.391
  514   2HB   ARG  62           HB1      ARG  62  52.537  -1.051   0.666
  515   1HG   ARG  62           HG2      ARG  62  50.238  -1.768   0.197
  516   2HG   ARG  62           HG1      ARG  62  49.980  -2.101   1.905
  517   1HD   ARG  62           HD2      ARG  62  50.987   0.627   1.320
  518   2HD   ARG  62           HD1      ARG  62  49.342   0.288   0.747
  519    HE   ARG  62           HE       ARG  62  50.046  -0.497   3.527
  520   1HH1  ARG  62          HH11      ARG  62  47.273  -0.333   2.142
  521   2HH1  ARG  62          HH12      ARG  62  46.623   1.066   2.928
  522   1HH2  ARG  62          HH21      ARG  62  49.686   2.111   4.178
  523   2HH2  ARG  62          HH22      ARG  62  47.991   2.454   4.079
  524    H    ALA  63           HN       ALA  63  50.233  -4.279   0.411
  525    HA   ALA  63           HA       ALA  63  49.358  -5.109   3.119
  526   1HB   ALA  63           HB3      ALA  63  47.780  -4.181   1.447
  527   2HB   ALA  63           HB2      ALA  63  48.180  -5.496   0.344
  528   3HB   ALA  63           HB1      ALA  63  47.346  -5.841   1.859
  529    H    ALA  64           HN       ALA  64  50.932  -6.346   0.305
  530    HA   ALA  64           HA       ALA  64  50.571  -9.185   1.060
  531   1HB   ALA  64           HB3      ALA  64  52.082  -7.755  -1.151
  532   2HB   ALA  64           HB2      ALA  64  51.824  -9.498  -1.066
  533   3HB   ALA  64           HB1      ALA  64  50.450  -8.412  -1.279
  534    H    TYR  65           HN       TYR  65  53.278  -6.884   0.602
  535    HA   TYR  65           HA       TYR  65  55.308  -8.658   1.586
  536   1HB   TYR  65           HB2      TYR  65  54.987  -5.701   1.112
  537   2HB   TYR  65           HB1      TYR  65  56.480  -6.339   1.817
  538    HD1  TYR  65           HD1      TYR  65  54.177  -6.681  -1.109
  539    HD2  TYR  65           HD2      TYR  65  58.103  -7.401   0.474
  540    HE1  TYR  65           HE1      TYR  65  54.947  -7.402  -3.351
  541    HE2  TYR  65           HE2      TYR  65  58.876  -8.120  -1.772
  542    HH   TYR  65           HH       TYR  65  58.185  -7.717  -4.167
  543    H    ASP  66           HN       ASP  66  52.895  -6.797   3.255
  544    HA   ASP  66           HA       ASP  66  54.308  -6.268   5.695
  545   1HB   ASP  66           HB2      ASP  66  52.242  -5.518   6.381
  546   2HB   ASP  66           HB1      ASP  66  51.881  -5.661   4.666
  547    H    GLN  67           HN       GLN  67  52.984  -9.198   4.337
  548    HA   GLN  67           HA       GLN  67  53.526 -10.631   6.919
  549   1HB   GLN  67           HB2      GLN  67  51.548 -11.014   4.663
  550   2HB   GLN  67           HB1      GLN  67  51.928 -12.334   5.768
  551   1HG   GLN  67           HG2      GLN  67  50.921 -11.304   7.570
  552   2HG   GLN  67           HG1      GLN  67  51.263  -9.682   6.966
  553   1HE2  GLN  67          HE22      GLN  67  47.960  -9.416   5.791
  554   2HE2  GLN  67          HE21      GLN  67  49.264  -8.694   6.603
  555    H    TYR  68           HN       TYR  68  55.104  -9.903   4.252
  556    HA   TYR  68           HA       TYR  68  56.773 -10.967   2.953
  557   1HB   TYR  68           HB2      TYR  68  56.477 -12.739   5.391
  558   2HB   TYR  68           HB1      TYR  68  57.759 -12.972   4.198
  559    HD1  TYR  68           HD1      TYR  68  58.236 -10.032   3.531
  560    HD2  TYR  68           HD2      TYR  68  57.776 -12.085   7.278
  561    HE1  TYR  68           HE1      TYR  68  59.574  -8.277   4.658
  562    HE2  TYR  68           HE2      TYR  68  59.117 -10.329   8.403
  563    HH   TYR  68           HH       TYR  68  60.534  -7.632   6.555
  564    H    GLY  69           HN       GLY  69  53.786 -11.786   2.807
  565   1HA   GLY  69           HA2      GLY  69  52.819 -13.130   1.048
  566   2HA   GLY  69           HA1      GLY  69  54.252 -14.166   1.094
  567    H    HIS  70           HN       HIS  70  51.673 -15.292   1.240
  568    HA   HIS  70           HA       HIS  70  50.820 -15.709   3.961
  569   1HB   HIS  70           HB2      HIS  70  49.485 -17.523   2.901
  570   2HB   HIS  70           HB1      HIS  70  49.397 -16.022   1.972
  571    HD1  HIS  70           HD1      HIS  70  49.420 -16.649  -0.440
  572    HD2  HIS  70           HD2      HIS  70  52.132 -18.926   1.760
  573    HE1  HIS  70           HE1      HIS  70  50.654 -18.102  -2.108
  574    H    ALA  71           HN       ALA  71  53.619 -16.700   2.412
  575    HA   ALA  71           HA       ALA  71  53.883 -19.405   3.416
  576   1HB   ALA  71           HB3      ALA  71  55.452 -17.338   2.001
  577   2HB   ALA  71           HB2      ALA  71  56.418 -18.449   2.974
  578   3HB   ALA  71           HB1      ALA  71  55.363 -19.075   1.706
  579    H    ALA  72           HN       ALA  72  54.760 -16.176   4.614
  580    HA   ALA  72           HA       ALA  72  56.487 -16.862   6.739
  581   1HB   ALA  72           HB1      ALA  72  55.834 -14.577   5.917
  582   2HB   ALA  72           HB3      ALA  72  54.277 -14.780   6.722
  583   3HB   ALA  72           HB2      ALA  72  55.760 -14.726   7.673
  584    H    PHE  73           HN       PHE  73  53.071 -17.409   6.352
  585    HA   PHE  73           HA       PHE  73  52.676 -18.029   9.229
  586   1HB   PHE  73           HB2      PHE  73  51.118 -17.161   6.988
  587   2HB   PHE  73           HB1      PHE  73  50.451 -18.697   7.552
  588    HD1  PHE  73           HD2      PHE  73  51.099 -18.577  10.444
  589    HD2  PHE  73           HD1      PHE  73  49.596 -15.548   7.799
  590    HE1  PHE  73           HE2      PHE  73  50.047 -17.421  12.369
  591    HE2  PHE  73           HE1      PHE  73  48.542 -14.389   9.722
  592    HZ   PHE  73           HZ       PHE  73  48.767 -15.327  12.007
  593    H    GLU  74           HN       GLU  74  53.479 -19.596   6.270
  594    HA   GLU  74           HA       GLU  74  53.823 -21.874   5.750
  595   1HB   GLU  74           HB2      GLU  74  53.612 -22.152   8.764
  596   2HB   GLU  74           HB1      GLU  74  54.471 -23.227   7.660
  597   1HG   GLU  74           HG2      GLU  74  55.159 -20.295   7.843
  598   2HG   GLU  74           HG1      GLU  74  55.877 -21.477   8.939
  599    H    GLN  75           HN       GLN  75  51.895 -22.453   4.709
  600    HA   GLN  75           HA       GLN  75  49.300 -22.639   5.654
  601   1HB   GLN  75           HB2      GLN  75  50.984 -24.040   3.649
  602   2HB   GLN  75           HB1      GLN  75  49.462 -24.834   4.059
  603   1HG   GLN  75           HG2      GLN  75  48.677 -22.212   3.807
  604   2HG   GLN  75           HG1      GLN  75  49.932 -22.335   2.573
  605   1HE2  GLN  75          HE22      GLN  75  48.103 -25.097   0.916
  606   2HE2  GLN  75          HE21      GLN  75  49.666 -24.844   1.529
  607    H    GLY  76           HN       GLY  76  51.786 -25.204   5.905
  608   1HA   GLY  76           HA2      GLY  76  51.386 -26.117   8.443
  609   2HA   GLY  76           HA1      GLY  76  50.028 -26.846   7.585
  610    H    GLY  77           HN       GLY  77  53.553 -26.414   7.104
  611   1HA   GLY  77           HA2      GLY  77  54.934 -28.511   7.095
  612   2HA   GLY  77           HA1      GLY  77  53.625 -29.262   6.180
   
  No H/Q in entry =         612
  Start of MODEL    8
    1   1H    ALA   1           HT3      ALA   1  69.188 -11.356  11.101
    2   2H    ALA   1           HT2      ALA   1  70.386 -12.308  10.360
    3   3H    ALA   1           HT1      ALA   1  70.681 -10.666  10.686
    4    HA   ALA   1           HA       ALA   1  70.180 -10.526   8.463
    5   1HB   ALA   1           HB2      ALA   1  68.578 -12.967   9.185
    6   2HB   ALA   1           HB1      ALA   1  68.274 -12.144   7.655
    7   3HB   ALA   1           HB3      ALA   1  69.873 -12.804   8.000
    8    H    LYS   2           HN       LYS   2  69.073  -8.647   8.138
    9    HA   LYS   2           HA       LYS   2  66.191  -8.496   8.804
   10   1HB   LYS   2           HB2      LYS   2  68.424  -6.993  10.147
   11   2HB   LYS   2           HB1      LYS   2  66.846  -6.224   9.975
   12   1HG   LYS   2           HG2      LYS   2  66.285  -8.826  10.866
   13   2HG   LYS   2           HG1      LYS   2  67.674  -8.306  11.823
   14   1HD   LYS   2           HD2      LYS   2  65.143  -6.676  11.451
   15   2HD   LYS   2           HD1      LYS   2  65.489  -7.674  12.864
   16   1HE   LYS   2           HE2      LYS   2  67.133  -6.234  13.649
   17   2HE   LYS   2           HE1      LYS   2  67.543  -5.654  12.022
   18   1HZ   LYS   2           HZ3      LYS   2  64.840  -5.196  13.086
   19   2HZ   LYS   2           HZ2      LYS   2  66.104  -4.174  13.579
   20   3HZ   LYS   2           HZ1      LYS   2  65.704  -4.301  11.934
   21    H    GLN   3           HN       GLN   3  66.840  -8.530   6.271
   22    HA   GLN   3           HA       GLN   3  66.905  -5.659   5.400
   23   1HB   GLN   3           HB2      GLN   3  68.217  -8.044   4.054
   24   2HB   GLN   3           HB1      GLN   3  68.358  -6.355   3.563
   25   1HG   GLN   3           HG2      GLN   3  69.297  -5.915   5.911
   26   2HG   GLN   3           HG1      GLN   3  69.452  -7.666   6.057
   27   1HE2  GLN   3          HE22      GLN   3  71.875  -7.783   3.286
   28   2HE2  GLN   3          HE21      GLN   3  70.449  -8.581   3.746
   29    H    ASP   4           HN       ASP   4  64.922  -5.264   4.479
   30    HA   ASP   4           HA       ASP   4  63.944  -6.842   2.278
   31   1HB   ASP   4           HB2      ASP   4  62.827  -8.433   3.449
   32   2HB   ASP   4           HB1      ASP   4  63.371  -7.689   4.951
   33    H    TYR   5           HN       TYR   5  63.829  -4.827   1.297
   34    HA   TYR   5           HA       TYR   5  63.171  -2.532   1.087
   35   1HB   TYR   5           HB2      TYR   5  60.455  -2.988   0.814
   36   2HB   TYR   5           HB1      TYR   5  61.669  -3.218  -0.440
   37    HD1  TYR   5           HD2      TYR   5  62.895  -5.493  -0.504
   38    HD2  TYR   5           HD1      TYR   5  59.199  -4.828   1.574
   39    HE1  TYR   5           HE2      TYR   5  62.446  -7.932  -0.531
   40    HE2  TYR   5           HE1      TYR   5  58.746  -7.269   1.550
   41    HH   TYR   5           HH       TYR   5  61.058  -9.545   0.052
   42    H    TYR   6           HN       TYR   6  60.286  -3.706   2.863
   43    HA   TYR   6           HA       TYR   6  59.790  -1.372   4.326
   44   1HB   TYR   6           HB2      TYR   6  59.415  -4.297   4.818
   45   2HB   TYR   6           HB1      TYR   6  59.007  -3.147   6.095
   46    HD1  TYR   6           HD1      TYR   6  57.530  -1.134   5.443
   47    HD2  TYR   6           HD2      TYR   6  57.877  -4.694   3.066
   48    HE1  TYR   6           HE1      TYR   6  55.391  -0.595   4.318
   49    HE2  TYR   6           HE2      TYR   6  55.732  -4.152   1.938
   50    HH   TYR   6           HH       TYR   6  53.871  -1.248   2.883
   51    H    GLU   7           HN       GLU   7  62.264  -3.831   4.766
   52    HA   GLU   7           HA       GLU   7  63.233  -2.605   7.292
   53   1HB   GLU   7           HB2      GLU   7  63.389  -5.135   5.921
   54   2HB   GLU   7           HB1      GLU   7  65.026  -4.530   6.177
   55   1HG   GLU   7           HG2      GLU   7  62.934  -4.642   8.364
   56   2HG   GLU   7           HG1      GLU   7  64.119  -5.917   8.087
   57    H    ILE   8           HN       ILE   8  63.945  -2.812   3.844
   58    HA   ILE   8           HA       ILE   8  66.525  -1.814   3.626
   59    HB   ILE   8           HB       ILE   8  64.002  -1.405   2.063
   60   1HG1  ILE   8          HG12      ILE   8  66.630  -2.841   1.572
   61   2HG1  ILE   8          HG11      ILE   8  65.096  -3.605   1.970
   62   1HG2  ILE   8          HG23      ILE   8  66.427   0.186   1.906
   63   2HG2  ILE   8          HG22      ILE   8  66.083  -0.651   0.393
   64   3HG2  ILE   8          HG21      ILE   8  64.875   0.421   1.101
   65   1HD1  ILE   8          HD12      ILE   8  64.845  -1.825  -0.324
   66   2HD1  ILE   8          HD11      ILE   8  66.059  -3.076  -0.597
   67   3HD1  ILE   8          HD13      ILE   8  64.406  -3.527  -0.180
   68    H    LEU   9           HN       LEU   9  63.511  -0.003   3.987
   69    HA   LEU   9           HA       LEU   9  64.900   2.585   4.351
   70   1HB   LEU   9           HB2      LEU   9  61.989   1.751   4.535
   71   2HB   LEU   9           HB1      LEU   9  62.591   3.398   4.327
   72    HG   LEU   9           HG       LEU   9  63.718   1.591   2.361
   73   1HD1  LEU   9          HD12      LEU   9  61.113   0.915   3.026
   74   2HD1  LEU   9          HD11      LEU   9  60.910   1.997   1.648
   75   3HD1  LEU   9          HD13      LEU   9  61.909   0.551   1.497
   76   1HD2  LEU   9          HD23      LEU   9  63.646   4.100   2.301
   77   2HD2  LEU   9          HD22      LEU   9  62.993   3.352   0.844
   78   3HD2  LEU   9          HD21      LEU   9  61.901   4.002   2.068
   79    H    GLY  10           HN       GLY  10  64.800   0.075   6.294
   80   1HA   GLY  10           HA2      GLY  10  64.946  -0.198   8.610
   81   2HA   GLY  10           HA1      GLY  10  65.043   1.559   8.725
   82    H    VAL  11           HN       VAL  11  62.244   0.331   7.075
   83    HA   VAL  11           HA       VAL  11  60.642   1.129   9.475
   84    HB   VAL  11           HB       VAL  11  59.038   0.586   7.174
   85   1HG1  VAL  11          HG13      VAL  11  59.846   3.094   8.646
   86   2HG1  VAL  11          HG12      VAL  11  58.586   3.048   7.410
   87   3HG1  VAL  11          HG11      VAL  11  58.397   2.122   8.900
   88   1HG2  VAL  11          HG23      VAL  11  61.538   2.142   6.633
   89   2HG2  VAL  11          HG22      VAL  11  60.724   0.948   5.621
   90   3HG2  VAL  11          HG21      VAL  11  60.033   2.559   5.817
   91    H    SER  12           HN       SER  12  58.401  -0.104   9.406
   92    HA   SER  12           HA       SER  12  59.022  -2.948   9.797
   93   1HB   SER  12           HB2      SER  12  56.361  -1.590  10.125
   94   2HB   SER  12           HB1      SER  12  57.014  -2.949  11.035
   95    HG   SER  12           HG       SER  12  57.072  -0.514  11.790
   96    H    LYS  13           HN       LYS  13  57.929  -4.655   8.710
   97    HA   LYS  13           HA       LYS  13  57.491  -4.422   5.958
   98   1HB   LYS  13           HB2      LYS  13  56.345  -6.560   6.200
   99   2HB   LYS  13           HB1      LYS  13  57.794  -6.496   7.202
  100   1HG   LYS  13           HG2      LYS  13  55.459  -5.459   8.611
  101   2HG   LYS  13           HG1      LYS  13  55.220  -7.126   8.087
  102   1HD   LYS  13           HD2      LYS  13  57.886  -6.882   9.096
  103   2HD   LYS  13           HD1      LYS  13  56.779  -6.189  10.282
  104   1HE   LYS  13           HE2      LYS  13  55.563  -8.211  10.507
  105   2HE   LYS  13           HE1      LYS  13  56.223  -8.872   8.997
  106   1HZ   LYS  13           HZ3      LYS  13  58.478  -8.516  10.143
  107   2HZ   LYS  13           HZ2      LYS  13  57.582  -8.463  11.585
  108   3HZ   LYS  13           HZ1      LYS  13  57.547  -9.854  10.611
  109    H    THR  14           HN       THR  14  55.490  -3.476   8.591
  110    HA   THR  14           HA       THR  14  53.180  -3.002   6.757
  111    HB   THR  14           HB       THR  14  51.832  -3.215   8.698
  112    HG1  THR  14           HG1      THR  14  54.169  -2.981  10.277
  113   1HG2  THR  14          HG21      THR  14  53.664  -5.203   8.076
  114   2HG2  THR  14          HG23      THR  14  53.834  -5.034   9.824
  115   3HG2  THR  14          HG22      THR  14  52.257  -5.397   9.122
  116    H    ALA  15           HN       ALA  15  55.817  -1.401   7.438
  117    HA   ALA  15           HA       ALA  15  55.342   0.973   8.818
  118   1HB   ALA  15           HB1      ALA  15  57.426   0.134   7.854
  119   2HB   ALA  15           HB3      ALA  15  56.815   0.470   6.237
  120   3HB   ALA  15           HB2      ALA  15  57.117   1.793   7.357
  121    H    GLU  16           HN       GLU  16  55.930   2.594   6.261
  122    HA   GLU  16           HA       GLU  16  53.461   2.800   4.777
  123   1HB   GLU  16           HB2      GLU  16  53.788   4.130   7.361
  124   2HB   GLU  16           HB1      GLU  16  53.434   5.280   6.067
  125   1HG   GLU  16           HG2      GLU  16  51.810   2.845   5.911
  126   2HG   GLU  16           HG1      GLU  16  51.554   3.751   7.403
  127    H    GLU  17           HN       GLU  17  53.995   3.826   2.896
  128    HA   GLU  17           HA       GLU  17  56.462   4.515   1.977
  129   1HB   GLU  17           HB2      GLU  17  55.227   6.121   0.468
  130   2HB   GLU  17           HB1      GLU  17  54.484   4.527   0.595
  131   1HG   GLU  17           HG2      GLU  17  52.584   5.648   1.108
  132   2HG   GLU  17           HG1      GLU  17  53.320   5.889   2.692
  133    H    ARG  18           HN       ARG  18  54.604   6.484   4.245
  134    HA   ARG  18           HA       ARG  18  56.147   8.921   3.859
  135   1HB   ARG  18           HB2      ARG  18  54.958   9.498   6.039
  136   2HB   ARG  18           HB1      ARG  18  53.900   9.007   4.714
  137   1HG   ARG  18           HG2      ARG  18  53.178   7.198   5.852
  138   2HG   ARG  18           HG1      ARG  18  54.827   6.709   6.241
  139   1HD   ARG  18           HD2      ARG  18  54.829   7.848   8.269
  140   2HD   ARG  18           HD1      ARG  18  53.660   9.056   7.707
  141    HE   ARG  18           HE       ARG  18  52.196   6.735   7.618
  142   1HH1  ARG  18          HH21      ARG  18  54.602   6.993   9.923
  143   2HH1  ARG  18          HH22      ARG  18  53.553   6.898  11.297
  144   1HH2  ARG  18          HH11      ARG  18  50.643   7.146   9.428
  145   2HH2  ARG  18          HH12      ARG  18  51.314   6.987  11.017
  146    H    GLU  19           HN       GLU  19  56.572   6.074   5.840
  147    HA   GLU  19           HA       GLU  19  58.799   7.354   7.331
  148   1HB   GLU  19           HB2      GLU  19  58.492   4.726   8.235
  149   2HB   GLU  19           HB1      GLU  19  57.850   6.158   9.024
  150   1HG   GLU  19           HG2      GLU  19  55.778   5.906   7.609
  151   2HG   GLU  19           HG1      GLU  19  56.421   4.366   7.042
  152    H    ILE  20           HN       ILE  20  58.052   5.445   4.650
  153    HA   ILE  20           HA       ILE  20  60.578   3.932   4.593
  154    HB   ILE  20           HB       ILE  20  57.951   3.943   3.356
  155   1HG1  ILE  20          HG12      ILE  20  59.310   1.671   2.538
  156   2HG1  ILE  20          HG11      ILE  20  60.131   2.127   4.027
  157   1HG2  ILE  20          HG21      ILE  20  60.172   4.459   1.507
  158   2HG2  ILE  20          HG23      ILE  20  59.288   2.988   1.131
  159   3HG2  ILE  20          HG22      ILE  20  58.439   4.529   1.227
  160   1HD1  ILE  20          HD11      ILE  20  57.336   2.476   4.449
  161   2HD1  ILE  20          HD13      ILE  20  57.570   0.882   3.731
  162   3HD1  ILE  20          HD12      ILE  20  58.412   1.311   5.221
  163    H    ARG  21           HN       ARG  21  58.954   6.436   2.599
  164    HA   ARG  21           HA       ARG  21  61.128   7.257   1.005
  165   1HB   ARG  21           HB2      ARG  21  59.933   9.495   1.107
  166   2HB   ARG  21           HB1      ARG  21  58.849   8.145   0.775
  167   1HG   ARG  21           HG2      ARG  21  57.669   9.197   2.466
  168   2HG   ARG  21           HG1      ARG  21  58.655   8.096   3.425
  169   1HD   ARG  21           HD2      ARG  21  59.235  10.007   4.553
  170   2HD   ARG  21           HD1      ARG  21  60.340  10.250   3.188
  171    HE   ARG  21           HE       ARG  21  57.955  11.262   2.242
  172   1HH1  ARG  21          HH21      ARG  21  57.883  11.611   5.411
  173   2HH1  ARG  21          HH22      ARG  21  58.251  13.302   5.494
  174   1HH2  ARG  21          HH11      ARG  21  59.283  13.509   2.191
  175   2HH2  ARG  21          HH12      ARG  21  59.043  14.378   3.670
  176    H    LYS  22           HN       LYS  22  60.258   7.921   4.311
  177    HA   LYS  22           HA       LYS  22  62.056   9.928   5.085
  178   1HB   LYS  22           HB2      LYS  22  60.301   9.235   6.532
  179   2HB   LYS  22           HB1      LYS  22  60.755   7.539   6.401
  180   1HG   LYS  22           HG2      LYS  22  61.412   8.705   8.585
  181   2HG   LYS  22           HG1      LYS  22  62.702   7.842   7.750
  182   1HD   LYS  22           HD2      LYS  22  63.618   9.968   8.371
  183   2HD   LYS  22           HD1      LYS  22  63.303  10.063   6.640
  184   1HE   LYS  22           HE2      LYS  22  61.557  11.556   6.897
  185   2HE   LYS  22           HE1      LYS  22  61.091  10.895   8.477
  186   1HZ   LYS  22           HZ1      LYS  22  63.752  12.071   8.246
  187   2HZ   LYS  22           HZ3      LYS  22  62.442  13.147   8.258
  188   3HZ   LYS  22           HZ2      LYS  22  62.674  12.078   9.559
  189    H    ALA  23           HN       ALA  23  62.546   6.366   5.268
  190    HA   ALA  23           HA       ALA  23  65.189   6.369   6.286
  191   1HB   ALA  23           HB3      ALA  23  63.346   4.525   5.586
  192   2HB   ALA  23           HB2      ALA  23  64.425   4.386   4.198
  193   3HB   ALA  23           HB1      ALA  23  65.043   4.114   5.828
  194    H    TYR  24           HN       TYR  24  64.069   6.403   2.912
  195    HA   TYR  24           HA       TYR  24  66.717   6.613   1.753
  196   1HB   TYR  24           HB2      TYR  24  64.601   5.710   0.682
  197   2HB   TYR  24           HB1      TYR  24  63.987   7.358   0.625
  198    HD1  TYR  24           HD1      TYR  24  67.421   5.985   0.004
  199    HD2  TYR  24           HD2      TYR  24  64.019   8.058  -1.602
  200    HE1  TYR  24           HE1      TYR  24  68.661   6.388  -2.105
  201    HE2  TYR  24           HE2      TYR  24  65.258   8.461  -3.711
  202    HH   TYR  24           HH       TYR  24  67.952   6.821  -4.599
  203    H    LYS  25           HN       LYS  25  64.613   8.652   3.420
  204    HA   LYS  25           HA       LYS  25  65.512  11.181   2.227
  205   1HB   LYS  25           HB2      LYS  25  63.359  10.081   3.786
  206   2HB   LYS  25           HB1      LYS  25  64.035  11.463   4.635
  207   1HG   LYS  25           HG2      LYS  25  62.479  12.507   3.245
  208   2HG   LYS  25           HG1      LYS  25  63.939  12.598   2.256
  209   1HD   LYS  25           HD2      LYS  25  63.264  10.475   1.131
  210   2HD   LYS  25           HD1      LYS  25  61.766  10.493   2.059
  211   1HE   LYS  25           HE2      LYS  25  60.941  11.669   0.276
  212   2HE   LYS  25           HE1      LYS  25  61.802  13.041   1.001
  213   1HZ   LYS  25           HZ2      LYS  25  63.807  11.811  -0.218
  214   2HZ   LYS  25           HZ1      LYS  25  62.546  11.385  -1.276
  215   3HZ   LYS  25           HZ3      LYS  25  62.880  13.019  -0.971
  216    H    ARG  26           HN       ARG  26  65.775   9.357   5.270
  217    HA   ARG  26           HA       ARG  26  67.536  11.335   6.513
  218   1HB   ARG  26           HB2      ARG  26  66.081   8.862   7.188
  219   2HB   ARG  26           HB1      ARG  26  67.587   9.097   8.077
  220   1HG   ARG  26           HG2      ARG  26  66.762  11.509   8.474
  221   2HG   ARG  26           HG1      ARG  26  65.182  10.912   7.964
  222   1HD   ARG  26           HD2      ARG  26  64.896  10.285  10.130
  223   2HD   ARG  26           HD1      ARG  26  66.059   8.988   9.787
  224    HE   ARG  26           HE       ARG  26  67.812  10.882  10.321
  225   1HH1  ARG  26          HH11      ARG  26  65.502  12.660  11.270
  226   2HH1  ARG  26          HH12      ARG  26  65.589  12.420  12.983
  227   1HH2  ARG  26          HH21      ARG  26  67.596   9.601  12.753
  228   2HH2  ARG  26          HH22      ARG  26  66.777  10.691  13.822
  229    H    LEU  27           HN       LEU  27  67.889   8.079   5.088
  230    HA   LEU  27           HA       LEU  27  70.722   7.880   5.757
  231   1HB   LEU  27           HB2      LEU  27  70.516   5.746   4.770
  232   2HB   LEU  27           HB1      LEU  27  68.891   6.059   5.381
  233    HG   LEU  27           HG       LEU  27  68.504   7.107   3.006
  234   1HD1  LEU  27          HD12      LEU  27  71.157   5.969   2.797
  235   2HD1  LEU  27          HD11      LEU  27  70.063   5.185   1.658
  236   3HD1  LEU  27          HD13      LEU  27  70.269   6.935   1.619
  237   1HD2  LEU  27          HD21      LEU  27  67.547   4.957   4.070
  238   2HD2  LEU  27          HD23      LEU  27  67.554   5.041   2.309
  239   3HD2  LEU  27          HD22      LEU  27  68.785   4.101   3.150
  240    H    ALA  28           HN       ALA  28  68.794   8.896   2.985
  241    HA   ALA  28           HA       ALA  28  71.107   9.062   1.205
  242   1HB   ALA  28           HB3      ALA  28  68.586   8.582   0.743
  243   2HB   ALA  28           HB2      ALA  28  68.406  10.336   0.816
  244   3HB   ALA  28           HB1      ALA  28  69.459   9.606  -0.396
  245    H    MET  29           HN       MET  29  69.109  11.336   3.100
  246    HA   MET  29           HA       MET  29  70.371  13.732   2.169
  247   1HB   MET  29           HB2      MET  29  69.481  14.679   4.243
  248   2HB   MET  29           HB1      MET  29  68.304  13.524   3.620
  249   1HG   MET  29           HG2      MET  29  68.947  11.862   5.202
  250   2HG   MET  29           HG1      MET  29  70.413  12.739   5.639
  251   1HE   MET  29           HE1      MET  29  70.450  15.005   6.257
  252   2HE   MET  29           HE3      MET  29  68.988  15.976   6.043
  253   3HE   MET  29           HE2      MET  29  69.563  15.590   7.663
  254    H    LYS  30           HN       LYS  30  71.320  11.144   4.284
  255    HA   LYS  30           HA       LYS  30  73.695  12.562   5.338
  256   1HB   LYS  30           HB2      LYS  30  72.035  10.308   5.997
  257   2HB   LYS  30           HB1      LYS  30  73.698   9.742   5.827
  258   1HG   LYS  30           HG2      LYS  30  73.974  10.482   7.952
  259   2HG   LYS  30           HG1      LYS  30  74.020  12.094   7.234
  260   1HD   LYS  30           HD2      LYS  30  71.421  11.990   7.410
  261   2HD   LYS  30           HD1      LYS  30  71.712  10.688   8.563
  262   1HE   LYS  30           HE2      LYS  30  73.251  13.246   8.886
  263   2HE   LYS  30           HE1      LYS  30  71.560  13.186   9.425
  264   1HZ   LYS  30           HZ1      LYS  30  73.213  10.881  10.073
  265   2HZ   LYS  30           HZ3      LYS  30  73.572  12.306  10.919
  266   3HZ   LYS  30           HZ2      LYS  30  72.008  11.647  10.995
  267    H    TYR  31           HN       TYR  31  72.768  10.517   2.704
  268    HA   TYR  31           HA       TYR  31  75.602   9.845   2.067
  269   1HB   TYR  31           HB2      TYR  31  72.944   8.666   1.657
  270   2HB   TYR  31           HB1      TYR  31  73.956   8.629   0.208
  271    HD1  TYR  31           HD2      TYR  31  74.845   8.436   3.834
  272    HD2  TYR  31           HD1      TYR  31  74.825   6.445   0.029
  273    HE1  TYR  31           HE2      TYR  31  76.155   6.573   4.804
  274    HE2  TYR  31           HE1      TYR  31  76.136   4.580   0.999
  275    HH   TYR  31           HH       TYR  31  77.787   4.354   3.029
  276    H    HIS  32           HN       HIS  32  73.704  12.318   1.615
  277    HA   HIS  32           HA       HIS  32  73.371  13.025  -1.044
  278   1HB   HIS  32           HB2      HIS  32  73.273  15.202  -0.050
  279   2HB   HIS  32           HB1      HIS  32  72.797  14.065   1.196
  280    HD1  HIS  32           HD1      HIS  32  75.502  12.977   2.137
  281    HD2  HIS  32           HD2      HIS  32  74.800  17.024   1.425
  282    HE1  HIS  32           HE1      HIS  32  77.228  14.252   3.478
  283    HA   PRO  33           HA       PRO  33  77.196  14.112  -2.878
  284   1HB   PRO  33           HB2      PRO  33  77.905  16.751  -2.613
  285   2HB   PRO  33           HB1      PRO  33  76.660  16.168  -3.736
  286   1HG   PRO  33           HG2      PRO  33  76.355  17.402  -1.050
  287   2HG   PRO  33           HG1      PRO  33  75.391  17.633  -2.515
  288   1HD   PRO  33           HD2      PRO  33  74.605  16.117  -0.460
  289   2HD   PRO  33           HD1      PRO  33  74.121  15.769  -2.130
  290    H    ASP  34           HN       ASP  34  77.573  12.940  -0.533
  291    HA   ASP  34           HA       ASP  34  79.960  14.253   0.720
  292   1HB   ASP  34           HB2      ASP  34  78.886  13.685   2.657
  293   2HB   ASP  34           HB1      ASP  34  77.577  12.974   1.721
  294    H    ARG  35           HN       ARG  35  78.529  11.269  -0.509
  295    HA   ARG  35           HA       ARG  35  81.240  10.283  -1.281
  296   1HB   ARG  35           HB2      ARG  35  80.428   8.025  -0.619
  297   2HB   ARG  35           HB1      ARG  35  80.405   9.135   0.751
  298   1HG   ARG  35           HG2      ARG  35  78.293   8.086   0.862
  299   2HG   ARG  35           HG1      ARG  35  77.948   9.610   0.046
  300   1HD   ARG  35           HD2      ARG  35  77.073   8.420  -1.659
  301   2HD   ARG  35           HD1      ARG  35  78.697   7.786  -1.984
  302    HE   ARG  35           HE       ARG  35  76.583   6.298  -0.724
  303   1HH1  ARG  35          HH21      ARG  35  78.075   6.173   1.660
  304   2HH1  ARG  35          HH22      ARG  35  79.320   5.004   1.371
  305   1HH2  ARG  35          HH11      ARG  35  79.013   5.135  -2.080
  306   2HH2  ARG  35          HH12      ARG  35  79.851   4.416  -0.745
  307    H    ASN  36           HN       ASN  36  77.754  10.492  -1.863
  308    HA   ASN  36           HA       ASN  36  77.216   8.855  -3.987
  309   1HB   ASN  36           HB2      ASN  36  76.548  11.686  -3.273
  310   2HB   ASN  36           HB1      ASN  36  75.984  11.056  -4.820
  311   1HD2  ASN  36          HD22      ASN  36  73.406  10.274  -2.215
  312   2HD2  ASN  36          HD21      ASN  36  74.100  11.704  -2.805
  313    H    GLN  37           HN       GLN  37  79.352  11.654  -4.023
  314    HA   GLN  37           HA       GLN  37  79.599  12.104  -6.802
  315   1HB   GLN  37           HB2      GLN  37  81.866  12.102  -4.789
  316   2HB   GLN  37           HB1      GLN  37  81.678  13.151  -6.194
  317   1HG   GLN  37           HG2      GLN  37  79.342  13.591  -4.762
  318   2HG   GLN  37           HG1      GLN  37  80.565  13.435  -3.500
  319   1HE2  GLN  37          HE22      GLN  37  80.953  16.943  -4.234
  320   2HE2  GLN  37          HE21      GLN  37  80.101  15.868  -3.235
  321    H    GLY  38           HN       GLY  38  80.734   9.487  -4.799
  322   1HA   GLY  38           HA2      GLY  38  82.000   8.249  -7.212
  323   2HA   GLY  38           HA1      GLY  38  82.680   8.054  -5.593
  324    H    ASP  39           HN       ASP  39  79.234   8.094  -6.277
  325    HA   ASP  39           HA       ASP  39  78.844   5.577  -4.869
  326   1HB   ASP  39           HB2      ASP  39  77.340   7.827  -5.859
  327   2HB   ASP  39           HB1      ASP  39  76.541   6.330  -6.342
  328    H    LYS  40           HN       LYS  40  80.565   4.933  -6.944
  329    HA   LYS  40           HA       LYS  40  79.005   3.890  -9.222
  330   1HB   LYS  40           HB2      LYS  40  81.690   4.627  -8.573
  331   2HB   LYS  40           HB1      LYS  40  81.688   2.956  -9.133
  332   1HG   LYS  40           HG2      LYS  40  79.929   4.488 -10.804
  333   2HG   LYS  40           HG1      LYS  40  81.483   5.317 -10.709
  334   1HD   LYS  40           HD2      LYS  40  82.362   2.787 -11.031
  335   2HD   LYS  40           HD1      LYS  40  80.822   2.665 -11.882
  336   1HE   LYS  40           HE2      LYS  40  81.446   4.204 -13.516
  337   2HE   LYS  40           HE1      LYS  40  82.605   5.019 -12.448
  338   1HZ   LYS  40           HZ1      LYS  40  83.925   2.951 -12.446
  339   2HZ   LYS  40           HZ3      LYS  40  82.869   2.291 -13.597
  340   3HZ   LYS  40           HZ2      LYS  40  83.810   3.649 -13.991
  341    H    GLU  41           HN       GLU  41  78.409   2.838  -6.563
  342    HA   GLU  41           HA       GLU  41  78.459  -0.002  -7.116
  343   1HB   GLU  41           HB2      GLU  41  79.903  -0.234  -4.844
  344   2HB   GLU  41           HB1      GLU  41  80.669  -0.164  -6.429
  345   1HG   GLU  41           HG2      GLU  41  81.139   2.181  -6.198
  346   2HG   GLU  41           HG1      GLU  41  80.121   2.305  -4.763
  347    H    ALA  42           HN       ALA  42  78.288   2.554  -4.663
  348    HA   ALA  42           HA       ALA  42  76.345   1.100  -3.014
  349   1HB   ALA  42           HB1      ALA  42  78.160   3.198  -2.706
  350   2HB   ALA  42           HB3      ALA  42  76.591   4.002  -2.669
  351   3HB   ALA  42           HB2      ALA  42  76.948   2.714  -1.520
  352    H    GLU  43           HN       GLU  43  76.354   3.094  -5.828
  353    HA   GLU  43           HA       GLU  43  74.016   4.591  -5.819
  354   1HB   GLU  43           HB2      GLU  43  75.646   4.009  -7.724
  355   2HB   GLU  43           HB1      GLU  43  74.640   2.587  -7.989
  356   1HG   GLU  43           HG2      GLU  43  73.257   3.857  -9.216
  357   2HG   GLU  43           HG1      GLU  43  72.852   4.748  -7.748
  358    H    ALA  44           HN       ALA  44  74.252   1.086  -6.363
  359    HA   ALA  44           HA       ALA  44  71.554   0.622  -6.882
  360   1HB   ALA  44           HB2      ALA  44  73.641  -0.911  -7.002
  361   2HB   ALA  44           HB1      ALA  44  73.306  -1.270  -5.308
  362   3HB   ALA  44           HB3      ALA  44  72.115  -1.668  -6.548
  363    H    LYS  45           HN       LYS  45  73.163   0.123  -3.709
  364    HA   LYS  45           HA       LYS  45  70.906  -0.395  -2.155
  365   1HB   LYS  45           HB2      LYS  45  73.142  -0.414  -1.234
  366   2HB   LYS  45           HB1      LYS  45  73.359   1.303  -1.600
  367   1HG   LYS  45           HG2      LYS  45  71.704   1.943   0.021
  368   2HG   LYS  45           HG1      LYS  45  71.194   0.270   0.249
  369   1HD   LYS  45           HD2      LYS  45  74.068   0.653   0.688
  370   2HD   LYS  45           HD1      LYS  45  73.073   1.595   1.799
  371   1HE   LYS  45           HE2      LYS  45  71.717  -0.657   2.048
  372   2HE   LYS  45           HE1      LYS  45  73.227  -1.390   1.470
  373   1HZ   LYS  45           HZ2      LYS  45  74.278   0.272   3.155
  374   2HZ   LYS  45           HZ1      LYS  45  72.748   0.205   3.892
  375   3HZ   LYS  45           HZ3      LYS  45  73.659  -1.212   3.704
  376    H    PHE  46           HN       PHE  46  71.963   2.618  -3.603
  377    HA   PHE  46           HA       PHE  46  70.257   4.412  -2.153
  378   1HB   PHE  46           HB2      PHE  46  72.175   4.449  -4.249
  379   2HB   PHE  46           HB1      PHE  46  70.726   5.254  -4.859
  380    HD1  PHE  46           HD1      PHE  46  72.559   5.027  -1.598
  381    HD2  PHE  46           HD2      PHE  46  70.668   7.539  -4.520
  382    HE1  PHE  46           HE1      PHE  46  73.076   7.023  -0.213
  383    HE2  PHE  46           HE2      PHE  46  71.186   9.539  -3.139
  384    HZ   PHE  46           HZ       PHE  46  72.390   9.278  -0.985
  385    H    LYS  47           HN       LYS  47  69.829   2.875  -5.391
  386    HA   LYS  47           HA       LYS  47  67.023   3.824  -5.377
  387   1HB   LYS  47           HB2      LYS  47  67.206   3.529  -7.643
  388   2HB   LYS  47           HB1      LYS  47  68.931   3.425  -7.310
  389   1HG   LYS  47           HG2      LYS  47  67.099   1.020  -7.314
  390   2HG   LYS  47           HG1      LYS  47  68.004   1.551  -8.729
  391   1HD   LYS  47           HD2      LYS  47  69.934   1.533  -6.757
  392   2HD   LYS  47           HD1      LYS  47  68.943   0.133  -6.345
  393   1HE   LYS  47           HE2      LYS  47  70.283   0.681  -9.015
  394   2HE   LYS  47           HE1      LYS  47  70.606  -0.663  -7.903
  395   1HZ   LYS  47           HZ2      LYS  47  67.911  -0.750  -8.240
  396   2HZ   LYS  47           HZ1      LYS  47  68.466  -0.346  -9.795
  397   3HZ   LYS  47           HZ3      LYS  47  69.032  -1.751  -9.033
  398    H    GLU  48           HN       GLU  48  68.877   1.014  -4.604
  399    HA   GLU  48           HA       GLU  48  67.023  -1.108  -4.791
  400   1HB   GLU  48           HB2      GLU  48  69.193  -0.283  -2.853
  401   2HB   GLU  48           HB1      GLU  48  68.275  -1.757  -2.575
  402   1HG   GLU  48           HG2      GLU  48  69.547  -1.232  -5.250
  403   2HG   GLU  48           HG1      GLU  48  70.495  -1.910  -3.927
  404    H    ILE  49           HN       ILE  49  67.442   1.535  -2.594
  405    HA   ILE  49           HA       ILE  49  65.404   0.833  -0.657
  406    HB   ILE  49           HB       ILE  49  66.723   3.419  -1.500
  407   1HG1  ILE  49          HG12      ILE  49  67.317   1.898   1.011
  408   2HG1  ILE  49          HG11      ILE  49  68.028   1.363  -0.511
  409   1HG2  ILE  49          HG23      ILE  49  64.607   3.823  -0.311
  410   2HG2  ILE  49          HG22      ILE  49  65.152   2.786   1.006
  411   3HG2  ILE  49          HG21      ILE  49  65.993   4.300   0.670
  412   1HD1  ILE  49          HD11      ILE  49  68.621   3.939  -0.750
  413   2HD1  ILE  49          HD13      ILE  49  68.493   3.899   1.008
  414   3HD1  ILE  49          HD12      ILE  49  69.655   2.858   0.185
  415    H    LYS  50           HN       LYS  50  65.599   3.150  -3.331
  416    HA   LYS  50           HA       LYS  50  62.990   4.209  -3.269
  417   1HB   LYS  50           HB2      LYS  50  64.948   4.892  -4.696
  418   2HB   LYS  50           HB1      LYS  50  64.652   3.475  -5.706
  419   1HG   LYS  50           HG2      LYS  50  63.105   4.625  -6.860
  420   2HG   LYS  50           HG1      LYS  50  62.167   4.833  -5.381
  421   1HD   LYS  50           HD2      LYS  50  63.210   6.895  -4.871
  422   2HD   LYS  50           HD1      LYS  50  64.537   6.596  -5.994
  423   1HE   LYS  50           HE2      LYS  50  62.281   6.467  -7.625
  424   2HE   LYS  50           HE1      LYS  50  61.928   7.808  -6.517
  425   1HZ   LYS  50           HZ3      LYS  50  64.348   8.464  -6.919
  426   2HZ   LYS  50           HZ2      LYS  50  64.276   7.445  -8.278
  427   3HZ   LYS  50           HZ1      LYS  50  63.238   8.785  -8.161
  428    H    GLU  51           HN       GLU  51  64.181   1.298  -4.983
  429    HA   GLU  51           HA       GLU  51  61.879   0.432  -6.302
  430   1HB   GLU  51           HB2      GLU  51  64.005  -0.699  -6.473
  431   2HB   GLU  51           HB1      GLU  51  64.006  -1.065  -4.747
  432   1HG   GLU  51           HG2      GLU  51  62.915  -2.988  -5.153
  433   2HG   GLU  51           HG1      GLU  51  61.572  -2.075  -5.846
  434    H    ALA  52           HN       ALA  52  62.778  -0.157  -2.898
  435    HA   ALA  52           HA       ALA  52  60.787  -1.764  -1.895
  436   1HB   ALA  52           HB1      ALA  52  62.627  -0.555  -0.683
  437   2HB   ALA  52           HB3      ALA  52  61.648   0.910  -0.747
  438   3HB   ALA  52           HB2      ALA  52  61.081  -0.490   0.164
  439    H    TYR  53           HN       TYR  53  60.435   1.561  -3.012
  440    HA   TYR  53           HA       TYR  53  57.853   2.141  -1.991
  441   1HB   TYR  53           HB2      TYR  53  59.217   2.954  -4.577
  442   2HB   TYR  53           HB1      TYR  53  57.851   3.797  -3.851
  443    HD1  TYR  53           HD2      TYR  53  59.667   2.557  -1.150
  444    HD2  TYR  53           HD1      TYR  53  59.895   5.593  -4.182
  445    HE1  TYR  53           HE2      TYR  53  61.236   3.829   0.250
  446    HE2  TYR  53           HE1      TYR  53  61.456   6.879  -2.757
  447    HH   TYR  53           HH       TYR  53  62.467   7.011  -0.785
  448    H    GLU  54           HN       GLU  54  58.823   0.491  -4.996
  449    HA   GLU  54           HA       GLU  54  56.237   0.224  -6.165
  450   1HB   GLU  54           HB2      GLU  54  58.413  -1.881  -6.187
  451   2HB   GLU  54           HB1      GLU  54  57.277  -1.485  -7.477
  452   1HG   GLU  54           HG2      GLU  54  58.493   0.924  -7.055
  453   2HG   GLU  54           HG1      GLU  54  59.816  -0.200  -6.749
  454    H    VAL  55           HN       VAL  55  57.670  -1.158  -3.360
  455    HA   VAL  55           HA       VAL  55  55.713  -3.334  -3.298
  456    HB   VAL  55           HB       VAL  55  58.391  -2.950  -2.485
  457   1HG1  VAL  55          HG11      VAL  55  56.497  -3.222  -0.152
  458   2HG1  VAL  55          HG13      VAL  55  58.112  -3.922  -0.097
  459   3HG1  VAL  55          HG12      VAL  55  57.915  -2.185  -0.305
  460   1HG2  VAL  55          HG21      VAL  55  57.303  -4.994  -3.406
  461   2HG2  VAL  55          HG23      VAL  55  58.288  -5.316  -1.979
  462   3HG2  VAL  55          HG22      VAL  55  56.534  -5.237  -1.839
  463    H    LEU  56           HN       LEU  56  56.863  -0.871  -0.984
  464    HA   LEU  56           HA       LEU  56  54.437  -1.135   0.620
  465   1HB   LEU  56           HB2      LEU  56  55.585   0.699   1.919
  466   2HB   LEU  56           HB1      LEU  56  56.558  -0.756   1.669
  467    HG   LEU  56           HG       LEU  56  56.982   0.875  -0.596
  468   1HD1  LEU  56          HD13      LEU  56  56.014   2.664   0.940
  469   2HD1  LEU  56          HD12      LEU  56  57.451   2.439   1.935
  470   3HD1  LEU  56          HD11      LEU  56  57.611   2.990   0.268
  471   1HD2  LEU  56          HD22      LEU  56  58.588   0.135   1.855
  472   2HD2  LEU  56          HD21      LEU  56  58.674  -0.579   0.251
  473   3HD2  LEU  56          HD23      LEU  56  59.290   1.050   0.520
  474    H    THR  57           HN       THR  57  55.509   1.149  -1.876
  475    HA   THR  57           HA       THR  57  53.324   3.010  -1.146
  476    HB   THR  57           HB       THR  57  54.316   4.472  -2.744
  477    HG1  THR  57           HG1      THR  57  56.041   3.488  -4.122
  478   1HG2  THR  57          HG21      THR  57  56.310   2.804  -1.237
  479   2HG2  THR  57          HG23      THR  57  56.873   4.083  -2.308
  480   3HG2  THR  57          HG22      THR  57  55.813   4.471  -0.957
  481    H    ASP  58           HN       ASP  58  52.806   0.220  -2.080
  482    HA   ASP  58           HA       ASP  58  50.766   0.867  -4.113
  483   1HB   ASP  58           HB2      ASP  58  53.310  -0.345  -4.674
  484   2HB   ASP  58           HB1      ASP  58  52.052  -1.563  -4.903
  485    H    SER  59           HN       SER  59  49.007   0.138  -3.166
  486    HA   SER  59           HA       SER  59  48.702  -1.426  -0.998
  487   1HB   SER  59           HB2      SER  59  47.066  -1.235  -3.517
  488   2HB   SER  59           HB1      SER  59  46.481  -2.120  -2.111
  489    HG   SER  59           HG       SER  59  45.769  -0.106  -1.761
  490    H    GLN  60           HN       GLN  60  49.010  -2.731  -4.299
  491    HA   GLN  60           HA       GLN  60  48.548  -5.429  -3.944
  492   1HB   GLN  60           HB2      GLN  60  49.687  -3.794  -5.830
  493   2HB   GLN  60           HB1      GLN  60  51.056  -4.806  -5.367
  494   1HG   GLN  60           HG2      GLN  60  48.932  -6.601  -5.558
  495   2HG   GLN  60           HG1      GLN  60  48.690  -5.504  -6.920
  496   1HE2  GLN  60          HE22      GLN  60  51.687  -8.201  -7.058
  497   2HE2  GLN  60          HE21      GLN  60  50.544  -8.182  -5.803
  498    H    LYS  61           HN       LYS  61  51.799  -3.971  -3.490
  499    HA   LYS  61           HA       LYS  61  52.848  -6.356  -2.184
  500   1HB   LYS  61           HB2      LYS  61  53.722  -3.732  -3.142
  501   2HB   LYS  61           HB1      LYS  61  54.578  -4.282  -1.703
  502   1HG   LYS  61           HG2      LYS  61  55.548  -4.981  -3.982
  503   2HG   LYS  61           HG1      LYS  61  55.353  -6.238  -2.764
  504   1HD   LYS  61           HD2      LYS  61  53.589  -7.240  -3.876
  505   2HD   LYS  61           HD1      LYS  61  53.067  -5.729  -4.622
  506   1HE   LYS  61           HE2      LYS  61  54.366  -6.075  -6.458
  507   2HE   LYS  61           HE1      LYS  61  55.758  -6.566  -5.472
  508   1HZ   LYS  61           HZ1      LYS  61  53.389  -8.307  -5.638
  509   2HZ   LYS  61           HZ3      LYS  61  54.532  -8.338  -6.890
  510   3HZ   LYS  61           HZ2      LYS  61  55.003  -8.722  -5.304
  511    H    ARG  62           HN       ARG  62  52.447  -3.005  -0.957
  512    HA   ARG  62           HA       ARG  62  53.108  -3.522   1.689
  513   1HB   ARG  62           HB2      ARG  62  51.752  -1.516   2.180
  514   2HB   ARG  62           HB1      ARG  62  52.620  -1.305   0.660
  515   1HG   ARG  62           HG2      ARG  62  50.583  -2.082  -0.558
  516   2HG   ARG  62           HG1      ARG  62  49.724  -2.124   0.978
  517   1HD   ARG  62           HD2      ARG  62  51.115   0.421   0.565
  518   2HD   ARG  62           HD1      ARG  62  49.898   0.093  -0.685
  519    HE   ARG  62           HE       ARG  62  48.315  -0.410   1.257
  520   1HH1  ARG  62          HH21      ARG  62  50.302   2.273   0.990
  521   2HH1  ARG  62          HH22      ARG  62  50.046   2.848   2.604
  522   1HH2  ARG  62          HH11      ARG  62  48.321   0.014   3.621
  523   2HH2  ARG  62          HH12      ARG  62  48.926   1.565   4.095
  524    H    ALA  63           HN       ALA  63  50.200  -4.391  -0.007
  525    HA   ALA  63           HA       ALA  63  48.764  -5.142   2.466
  526   1HB   ALA  63           HB2      ALA  63  47.711  -4.127   0.389
  527   2HB   ALA  63           HB1      ALA  63  48.085  -5.630  -0.456
  528   3HB   ALA  63           HB3      ALA  63  46.966  -5.639   0.908
  529    H    ALA  64           HN       ALA  64  50.828  -6.491   0.044
  530    HA   ALA  64           HA       ALA  64  50.130  -9.293   0.689
  531   1HB   ALA  64           HB1      ALA  64  50.664  -8.347  -1.619
  532   2HB   ALA  64           HB3      ALA  64  52.334  -8.190  -1.074
  533   3HB   ALA  64           HB2      ALA  64  51.581  -9.784  -1.165
  534    H    TYR  65           HN       TYR  65  53.006  -7.144   0.921
  535    HA   TYR  65           HA       TYR  65  54.613  -9.092   2.313
  536   1HB   TYR  65           HB2      TYR  65  54.655  -6.205   1.603
  537   2HB   TYR  65           HB1      TYR  65  55.715  -6.704   2.933
  538    HD1  TYR  65           HD1      TYR  65  56.765  -9.226   2.368
  539    HD2  TYR  65           HD2      TYR  65  55.746  -6.154  -0.452
  540    HE1  TYR  65           HE1      TYR  65  58.353 -10.202   0.734
  541    HE2  TYR  65           HE2      TYR  65  57.339  -7.132  -2.087
  542    HH   TYR  65           HH       TYR  65  59.110 -10.127  -1.364
  543    H    ASP  66           HN       ASP  66  52.163  -6.819   3.369
  544    HA   ASP  66           HA       ASP  66  52.822  -6.387   6.060
  545   1HB   ASP  66           HB2      ASP  66  50.327  -6.325   6.364
  546   2HB   ASP  66           HB1      ASP  66  50.869  -5.425   4.946
  547    H    GLN  67           HN       GLN  67  51.536  -9.306   4.508
  548    HA   GLN  67           HA       GLN  67  51.665 -10.725   7.151
  549   1HB   GLN  67           HB2      GLN  67  50.266 -11.485   4.565
  550   2HB   GLN  67           HB1      GLN  67  50.062 -12.260   6.136
  551   1HG   GLN  67           HG2      GLN  67  49.602  -9.523   6.594
  552   2HG   GLN  67           HG1      GLN  67  48.756  -9.894   5.092
  553   1HE2  GLN  67          HE22      GLN  67  46.441 -12.145   6.650
  554   2HE2  GLN  67          HE21      GLN  67  47.185 -11.761   5.174
  555    H    TYR  68           HN       TYR  68  53.516 -10.207   4.464
  556    HA   TYR  68           HA       TYR  68  55.340 -11.372   3.516
  557   1HB   TYR  68           HB2      TYR  68  54.945 -12.256   6.287
  558   2HB   TYR  68           HB1      TYR  68  55.786 -13.455   5.297
  559    HD1  TYR  68           HD1      TYR  68  55.767  -9.715   5.708
  560    HD2  TYR  68           HD2      TYR  68  58.103 -13.292   5.262
  561    HE1  TYR  68           HE1      TYR  68  57.850  -8.374   5.843
  562    HE2  TYR  68           HE2      TYR  68  60.184 -11.951   5.398
  563    HH   TYR  68           HH       TYR  68  60.759  -9.561   6.519
  564    H    GLY  69           HN       GLY  69  52.474 -12.233   2.993
  565   1HA   GLY  69           HA2      GLY  69  52.039 -13.882   1.192
  566   2HA   GLY  69           HA1      GLY  69  53.121 -14.990   2.036
  567    H    HIS  70           HN       HIS  70  50.764 -16.072   1.511
  568    HA   HIS  70           HA       HIS  70  48.767 -15.561   3.594
  569   1HB   HIS  70           HB2      HIS  70  47.722 -17.588   2.484
  570   2HB   HIS  70           HB1      HIS  70  48.090 -16.262   1.375
  571    HD1  HIS  70           HD1      HIS  70  50.008 -19.287   2.726
  572    HD2  HIS  70           HD2      HIS  70  49.405 -17.219  -0.843
  573    HE1  HIS  70           HE1      HIS  70  51.356 -20.500   0.959
  574    H    ALA  71           HN       ALA  71  51.729 -16.876   3.844
  575    HA   ALA  71           HA       ALA  71  51.214 -19.410   5.162
  576   1HB   ALA  71           HB1      ALA  71  53.402 -17.795   4.276
  577   2HB   ALA  71           HB3      ALA  71  53.677 -18.192   5.972
  578   3HB   ALA  71           HB2      ALA  71  53.440 -19.481   4.791
  579    H    ALA  72           HN       ALA  72  51.700 -16.062   6.263
  580    HA   ALA  72           HA       ALA  72  51.934 -16.464   9.043
  581   1HB   ALA  72           HB1      ALA  72  52.078 -14.338   7.636
  582   2HB   ALA  72           HB3      ALA  72  50.316 -14.295   7.679
  583   3HB   ALA  72           HB2      ALA  72  51.237 -14.167   9.177
  584    H    PHE  73           HN       PHE  73  49.213 -17.011   6.963
  585    HA   PHE  73           HA       PHE  73  47.506 -17.542   9.373
  586   1HB   PHE  73           HB2      PHE  73  47.167 -15.756   7.084
  587   2HB   PHE  73           HB1      PHE  73  45.810 -16.877   7.255
  588    HD1  PHE  73           HD1      PHE  73  45.328 -17.296   9.982
  589    HD2  PHE  73           HD2      PHE  73  46.770 -13.708   8.112
  590    HE1  PHE  73           HE1      PHE  73  44.458 -15.957  11.880
  591    HE2  PHE  73           HE2      PHE  73  45.900 -12.370  10.010
  592    HZ   PHE  73           HZ       PHE  73  44.744 -13.495  11.894
  593    H    GLU  74           HN       GLU  74  49.214 -19.254   7.471
  594    HA   GLU  74           HA       GLU  74  49.017 -21.375   6.447
  595   1HB   GLU  74           HB2      GLU  74  46.419 -21.218   8.012
  596   2HB   GLU  74           HB1      GLU  74  47.102 -22.701   7.343
  597   1HG   GLU  74           HG2      GLU  74  48.772 -20.963   9.142
  598   2HG   GLU  74           HG1      GLU  74  47.602 -22.083   9.840
  599    H    GLN  75           HN       GLN  75  47.849 -22.499   4.699
  600    HA   GLN  75           HA       GLN  75  46.801 -20.808   2.682
  601   1HB   GLN  75           HB2      GLN  75  47.118 -23.679   3.258
  602   2HB   GLN  75           HB1      GLN  75  45.795 -23.321   2.149
  603   1HG   GLN  75           HG2      GLN  75  47.239 -22.882   0.479
  604   2HG   GLN  75           HG1      GLN  75  48.105 -21.718   1.482
  605   1HE2  GLN  75          HE22      GLN  75  50.331 -24.671   0.604
  606   2HE2  GLN  75          HE21      GLN  75  49.361 -23.657  -0.352
  607    H    GLY  76           HN       GLY  76  44.937 -23.233   4.562
  608   1HA   GLY  76           HA2      GLY  76  42.595 -21.380   4.387
  609   2HA   GLY  76           HA1      GLY  76  42.418 -23.116   4.128
  610    H    GLY  77           HN       GLY  77  43.790 -24.291   6.109
  611   1HA   GLY  77           HA2      GLY  77  42.402 -23.288   8.550
  612   2HA   GLY  77           HA1      GLY  77  42.944 -24.951   8.304
   
  No H/Q in entry =         612
  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1  70.412 -11.840  -1.825
    2   2H    ALA   1           HT3      ALA   1  71.224 -11.415  -3.252
    3   3H    ALA   1           HT2      ALA   1  70.108 -10.337  -2.558
    4    HA   ALA   1           HA       ALA   1  68.985 -11.328  -4.379
    5   1HB   ALA   1           HB2      ALA   1  70.856 -13.174  -4.234
    6   2HB   ALA   1           HB1      ALA   1  69.661 -14.040  -3.269
    7   3HB   ALA   1           HB3      ALA   1  69.290 -13.586  -4.932
    8    H    LYS   2           HN       LYS   2  68.755 -11.128  -1.167
    9    HA   LYS   2           HA       LYS   2  65.895 -11.772  -1.136
   10   1HB   LYS   2           HB2      LYS   2  66.912 -13.981  -0.843
   11   2HB   LYS   2           HB1      LYS   2  67.918 -13.366   0.470
   12   1HG   LYS   2           HG2      LYS   2  66.109 -13.159   1.938
   13   2HG   LYS   2           HG1      LYS   2  64.929 -13.094   0.628
   14   1HD   LYS   2           HD2      LYS   2  66.446 -15.583   0.596
   15   2HD   LYS   2           HD1      LYS   2  65.593 -15.353   2.123
   16   1HE   LYS   2           HE2      LYS   2  63.539 -14.738   0.666
   17   2HE   LYS   2           HE1      LYS   2  64.438 -15.492  -0.666
   18   1HZ   LYS   2           HZ1      LYS   2  64.441 -16.935   1.857
   19   2HZ   LYS   2           HZ3      LYS   2  62.949 -16.882   1.052
   20   3HZ   LYS   2           HZ2      LYS   2  64.313 -17.525   0.270
   21    H    GLN   3           HN       GLN   3  66.304  -9.355  -0.653
   22    HA   GLN   3           HA       GLN   3  67.049  -8.909   2.212
   23   1HB   GLN   3           HB2      GLN   3  67.557  -6.672   1.507
   24   2HB   GLN   3           HB1      GLN   3  68.195  -7.730   0.247
   25   1HG   GLN   3           HG2      GLN   3  65.761  -7.397  -0.776
   26   2HG   GLN   3           HG1      GLN   3  65.818  -5.914   0.177
   27   1HE2  GLN   3          HE22      GLN   3  68.929  -4.935  -1.681
   28   2HE2  GLN   3          HE21      GLN   3  68.582  -5.284  -0.057
   29    H    ASP   4           HN       ASP   4  65.680  -6.359   2.320
   30    HA   ASP   4           HA       ASP   4  62.821  -6.926   1.840
   31   1HB   ASP   4           HB2      ASP   4  62.954  -6.131   4.564
   32   2HB   ASP   4           HB1      ASP   4  62.430  -7.692   3.938
   33    H    TYR   5           HN       TYR   5  62.581  -5.163   0.685
   34    HA   TYR   5           HA       TYR   5  63.676  -2.638   0.938
   35   1HB   TYR   5           HB2      TYR   5  60.908  -2.276   0.338
   36   2HB   TYR   5           HB1      TYR   5  62.283  -2.287  -0.753
   37    HD1  TYR   5           HD1      TYR   5  59.837  -4.492   0.934
   38    HD2  TYR   5           HD2      TYR   5  62.686  -4.039  -2.240
   39    HE1  TYR   5           HE1      TYR   5  59.057  -6.635  -0.064
   40    HE2  TYR   5           HE2      TYR   5  61.909  -6.179  -3.248
   41    HH   TYR   5           HH       TYR   5  60.325  -8.452  -1.725
   42    H    TYR   6           HN       TYR   6  60.657  -3.726   2.541
   43    HA   TYR   6           HA       TYR   6  60.069  -1.460   4.069
   44   1HB   TYR   6           HB2      TYR   6  59.899  -4.420   4.501
   45   2HB   TYR   6           HB1      TYR   6  59.430  -3.327   5.805
   46    HD1  TYR   6           HD2      TYR   6  57.718  -1.493   5.301
   47    HD2  TYR   6           HD1      TYR   6  58.450  -4.811   2.673
   48    HE1  TYR   6           HE2      TYR   6  55.522  -1.116   4.205
   49    HE2  TYR   6           HE1      TYR   6  56.246  -4.440   1.589
   50    HH   TYR   6           HH       TYR   6  53.993  -2.012   2.833
   51    H    GLU   7           HN       GLU   7  62.626  -3.810   4.415
   52    HA   GLU   7           HA       GLU   7  63.627  -2.626   6.934
   53   1HB   GLU   7           HB2      GLU   7  63.578  -5.133   6.141
   54   2HB   GLU   7           HB1      GLU   7  65.006  -4.683   5.208
   55   1HG   GLU   7           HG2      GLU   7  66.249  -4.945   7.063
   56   2HG   GLU   7           HG1      GLU   7  65.376  -3.599   7.797
   57    H    ILE   8           HN       ILE   8  64.275  -2.698   3.464
   58    HA   ILE   8           HA       ILE   8  66.855  -1.648   3.318
   59    HB   ILE   8           HB       ILE   8  64.383  -1.233   1.673
   60   1HG1  ILE   8          HG12      ILE   8  66.947  -2.846   1.361
   61   2HG1  ILE   8          HG11      ILE   8  65.330  -3.492   1.647
   62   1HG2  ILE   8          HG23      ILE   8  67.116  -0.035   1.395
   63   2HG2  ILE   8          HG22      ILE   8  66.245  -0.504  -0.064
   64   3HG2  ILE   8          HG21      ILE   8  65.542   0.678   1.039
   65   1HD1  ILE   8          HD13      ILE   8  64.908  -1.974  -0.592
   66   2HD1  ILE   8          HD12      ILE   8  66.558  -2.538  -0.862
   67   3HD1  ILE   8          HD11      ILE   8  65.257  -3.703  -0.617
   68    H    LEU   9           HN       LEU   9  63.766   0.059   3.674
   69    HA   LEU   9           HA       LEU   9  65.088   2.691   3.981
   70   1HB   LEU   9           HB2      LEU   9  62.188   1.951   4.409
   71   2HB   LEU   9           HB1      LEU   9  62.847   3.501   3.883
   72    HG   LEU   9           HG       LEU   9  63.783   1.590   2.036
   73   1HD1  LEU   9          HD11      LEU   9  61.459   0.584   3.239
   74   2HD1  LEU   9          HD13      LEU   9  60.911   1.286   1.716
   75   3HD1  LEU   9          HD12      LEU   9  62.168   0.049   1.715
   76   1HD2  LEU   9          HD22      LEU   9  63.132   3.992   1.674
   77   2HD2  LEU   9          HD21      LEU   9  62.465   2.896   0.462
   78   3HD2  LEU   9          HD23      LEU   9  61.443   3.495   1.767
   79    H    GLY  10           HN       GLY  10  65.017   0.157   5.943
   80   1HA   GLY  10           HA2      GLY  10  65.346  -0.028   8.255
   81   2HA   GLY  10           HA1      GLY  10  65.263   1.730   8.352
   82    H    VAL  11           HN       VAL  11  62.538   0.290   6.776
   83    HA   VAL  11           HA       VAL  11  60.947   0.883   9.243
   84    HB   VAL  11           HB       VAL  11  59.275   0.216   7.052
   85   1HG1  VAL  11          HG13      VAL  11  60.000   2.721   8.539
   86   2HG1  VAL  11          HG12      VAL  11  58.846   2.764   7.206
   87   3HG1  VAL  11          HG11      VAL  11  58.517   1.770   8.626
   88   1HG2  VAL  11          HG21      VAL  11  61.533   2.059   6.283
   89   2HG2  VAL  11          HG23      VAL  11  60.992   0.602   5.448
   90   3HG2  VAL  11          HG22      VAL  11  59.971   2.036   5.470
   91    H    SER  12           HN       SER  12  58.876  -0.575   9.317
   92    HA   SER  12           HA       SER  12  59.797  -3.367   9.494
   93   1HB   SER  12           HB2      SER  12  58.595  -2.830  11.391
   94   2HB   SER  12           HB1      SER  12  57.596  -1.657  10.535
   95    HG   SER  12           HG       SER  12  57.443  -4.466  10.144
   96    H    LYS  13           HN       LYS  13  58.722  -5.104   8.386
   97    HA   LYS  13           HA       LYS  13  57.984  -4.680   5.711
   98   1HB   LYS  13           HB2      LYS  13  57.073  -6.937   5.858
   99   2HB   LYS  13           HB1      LYS  13  58.596  -6.820   6.741
  100   1HG   LYS  13           HG2      LYS  13  56.643  -6.099   8.616
  101   2HG   LYS  13           HG1      LYS  13  55.936  -7.461   7.748
  102   1HD   LYS  13           HD2      LYS  13  57.272  -8.883   8.866
  103   2HD   LYS  13           HD1      LYS  13  58.696  -8.049   8.244
  104   1HE   LYS  13           HE2      LYS  13  57.488  -6.443  10.320
  105   2HE   LYS  13           HE1      LYS  13  57.791  -8.083  10.927
  106   1HZ   LYS  13           HZ1      LYS  13  60.006  -7.833   9.661
  107   2HZ   LYS  13           HZ3      LYS  13  59.700  -6.168   9.749
  108   3HZ   LYS  13           HZ2      LYS  13  59.846  -7.081  11.175
  109    H    THR  14           HN       THR  14  56.230  -4.114   8.604
  110    HA   THR  14           HA       THR  14  53.650  -3.851   7.145
  111    HB   THR  14           HB       THR  14  52.672  -4.117   9.279
  112    HG1  THR  14           HG1      THR  14  54.055  -3.840  11.180
  113   1HG2  THR  14          HG23      THR  14  54.599  -5.921   8.462
  114   2HG2  THR  14          HG22      THR  14  55.053  -5.605  10.137
  115   3HG2  THR  14          HG21      THR  14  53.435  -6.198   9.757
  116    H    ALA  15           HN       ALA  15  56.265  -1.964   7.535
  117    HA   ALA  15           HA       ALA  15  55.536   0.422   8.814
  118   1HB   ALA  15           HB1      ALA  15  57.719  -0.241   7.873
  119   2HB   ALA  15           HB3      ALA  15  57.070  -0.017   6.250
  120   3HB   ALA  15           HB2      ALA  15  57.226   1.361   7.333
  121    H    GLU  16           HN       GLU  16  55.842   2.153   6.454
  122    HA   GLU  16           HA       GLU  16  53.397   1.832   4.849
  123   1HB   GLU  16           HB2      GLU  16  53.767   4.036   6.911
  124   2HB   GLU  16           HB1      GLU  16  52.500   4.038   5.679
  125   1HG   GLU  16           HG2      GLU  16  51.953   1.655   6.622
  126   2HG   GLU  16           HG1      GLU  16  52.817   2.225   8.051
  127    H    GLU  17           HN       GLU  17  53.596   4.941   4.578
  128    HA   GLU  17           HA       GLU  17  55.600   4.885   2.413
  129   1HB   GLU  17           HB2      GLU  17  53.345   5.757   2.053
  130   2HB   GLU  17           HB1      GLU  17  53.572   6.931   3.349
  131   1HG   GLU  17           HG2      GLU  17  54.785   8.323   2.032
  132   2HG   GLU  17           HG1      GLU  17  55.695   6.993   1.314
  133    H    ARG  18           HN       ARG  18  54.850   7.612   4.505
  134    HA   ARG  18           HA       ARG  18  57.148   9.046   4.484
  135   1HB   ARG  18           HB2      ARG  18  56.542   9.372   7.071
  136   2HB   ARG  18           HB1      ARG  18  55.508   9.990   5.784
  137   1HG   ARG  18           HG2      ARG  18  53.920   8.313   6.069
  138   2HG   ARG  18           HG1      ARG  18  55.081   7.183   6.761
  139   1HD   ARG  18           HD2      ARG  18  54.317   9.734   8.208
  140   2HD   ARG  18           HD1      ARG  18  53.398   8.230   8.412
  141    HE   ARG  18           HE       ARG  18  56.286   7.862   8.676
  142   1HH1  ARG  18          HH11      ARG  18  54.980   6.000  10.246
  143   2HH1  ARG  18          HH12      ARG  18  54.791   6.710  11.813
  144   1HH2  ARG  18          HH21      ARG  18  55.343   9.948  10.706
  145   2HH2  ARG  18          HH22      ARG  18  54.996   8.944  12.074
  146    H    GLU  19           HN       GLU  19  56.720   6.366   6.837
  147    HA   GLU  19           HA       GLU  19  59.344   6.608   7.936
  148   1HB   GLU  19           HB2      GLU  19  58.740   4.252   8.724
  149   2HB   GLU  19           HB1      GLU  19  57.611   5.518   9.169
  150   1HG   GLU  19           HG2      GLU  19  56.874   4.522   6.590
  151   2HG   GLU  19           HG1      GLU  19  57.087   3.151   7.677
  152    H    ILE  20           HN       ILE  20  58.063   5.178   5.061
  153    HA   ILE  20           HA       ILE  20  60.469   3.529   4.572
  154    HB   ILE  20           HB       ILE  20  57.747   3.551   3.821
  155   1HG1  ILE  20          HG12      ILE  20  58.996   1.578   2.306
  156   2HG1  ILE  20          HG11      ILE  20  60.092   1.839   3.659
  157   1HG2  ILE  20          HG21      ILE  20  59.561   4.200   1.522
  158   2HG2  ILE  20          HG23      ILE  20  58.142   3.193   1.275
  159   3HG2  ILE  20          HG22      ILE  20  57.962   4.839   1.878
  160   1HD1  ILE  20          HD12      ILE  20  57.425   1.851   4.682
  161   2HD1  ILE  20          HD11      ILE  20  57.606   0.429   3.655
  162   3HD1  ILE  20          HD13      ILE  20  58.708   0.686   5.007
  163    H    ARG  21           HN       ARG  21  58.874   6.455   3.266
  164    HA   ARG  21           HA       ARG  21  61.044   6.983   1.385
  165   1HB   ARG  21           HB2      ARG  21  59.859   9.043   1.001
  166   2HB   ARG  21           HB1      ARG  21  58.617   7.836   1.322
  167   1HG   ARG  21           HG2      ARG  21  57.968   9.657   2.665
  168   2HG   ARG  21           HG1      ARG  21  58.815   8.601   3.789
  169   1HD   ARG  21           HD2      ARG  21  60.196  10.331   4.279
  170   2HD   ARG  21           HD1      ARG  21  60.797  10.264   2.611
  171    HE   ARG  21           HE       ARG  21  58.996  12.258   3.624
  172   1HH1  ARG  21          HH11      ARG  21  60.528  11.229   0.868
  173   2HH1  ARG  21          HH12      ARG  21  59.329  11.799  -0.245
  174   1HH2  ARG  21          HH21      ARG  21  57.011  12.544   2.224
  175   2HH2  ARG  21          HH22      ARG  21  57.336  12.541   0.523
  176    H    LYS  22           HN       LYS  22  60.233   7.818   4.690
  177    HA   LYS  22           HA       LYS  22  61.985   9.829   5.381
  178   1HB   LYS  22           HB2      LYS  22  60.602   9.078   7.088
  179   2HB   LYS  22           HB1      LYS  22  60.866   7.383   6.689
  180   1HG   LYS  22           HG2      LYS  22  61.938   8.073   8.851
  181   2HG   LYS  22           HG1      LYS  22  63.090   7.443   7.673
  182   1HD   LYS  22           HD2      LYS  22  64.186   9.380   8.342
  183   2HD   LYS  22           HD1      LYS  22  63.266   9.993   6.967
  184   1HE   LYS  22           HE2      LYS  22  61.878  11.238   8.289
  185   2HE   LYS  22           HE1      LYS  22  61.830  10.004   9.563
  186   1HZ   LYS  22           HZ1      LYS  22  64.389  10.669   9.658
  187   2HZ   LYS  22           HZ3      LYS  22  63.756  12.153   9.138
  188   3HZ   LYS  22           HZ2      LYS  22  63.209  11.459  10.589
  189    H    ALA  23           HN       ALA  23  62.769   6.344   5.152
  190    HA   ALA  23           HA       ALA  23  65.494   6.573   5.970
  191   1HB   ALA  23           HB3      ALA  23  63.688   4.607   5.233
  192   2HB   ALA  23           HB2      ALA  23  64.896   4.534   3.950
  193   3HB   ALA  23           HB1      ALA  23  65.384   4.332   5.633
  194    H    TYR  24           HN       TYR  24  64.107   6.477   2.663
  195    HA   TYR  24           HA       TYR  24  66.628   6.831   1.327
  196   1HB   TYR  24           HB2      TYR  24  64.443   5.865   0.443
  197   2HB   TYR  24           HB1      TYR  24  63.825   7.514   0.381
  198    HD1  TYR  24           HD1      TYR  24  67.284   6.319  -0.348
  199    HD2  TYR  24           HD2      TYR  24  63.639   7.946  -1.936
  200    HE1  TYR  24           HE1      TYR  24  68.389   6.659  -2.543
  201    HE2  TYR  24           HE2      TYR  24  64.744   8.285  -4.128
  202    HH   TYR  24           HH       TYR  24  67.295   8.628  -4.864
  203    H    LYS  25           HN       LYS  25  64.345   8.931   2.876
  204    HA   LYS  25           HA       LYS  25  65.433  11.335   1.582
  205   1HB   LYS  25           HB2      LYS  25  63.176  11.558   1.844
  206   2HB   LYS  25           HB1      LYS  25  63.134  10.410   3.174
  207   1HG   LYS  25           HG2      LYS  25  64.511  12.927   3.835
  208   2HG   LYS  25           HG1      LYS  25  62.794  13.113   3.463
  209   1HD   LYS  25           HD2      LYS  25  62.146  11.556   5.106
  210   2HD   LYS  25           HD1      LYS  25  63.786  10.929   5.281
  211   1HE   LYS  25           HE2      LYS  25  63.837  12.332   7.112
  212   2HE   LYS  25           HE1      LYS  25  64.168  13.580   5.894
  213   1HZ   LYS  25           HZ2      LYS  25  61.383  12.787   6.287
  214   2HZ   LYS  25           HZ1      LYS  25  62.090  13.735   7.508
  215   3HZ   LYS  25           HZ3      LYS  25  62.032  14.312   5.914
  216    H    ARG  26           HN       ARG  26  65.379   9.729   4.746
  217    HA   ARG  26           HA       ARG  26  67.087  11.807   5.945
  218   1HB   ARG  26           HB2      ARG  26  66.549  10.722   7.980
  219   2HB   ARG  26           HB1      ARG  26  65.097  10.572   6.998
  220   1HG   ARG  26           HG2      ARG  26  65.191   8.340   7.178
  221   2HG   ARG  26           HG1      ARG  26  66.792   8.327   6.458
  222   1HD   ARG  26           HD2      ARG  26  67.684   8.992   8.768
  223   2HD   ARG  26           HD1      ARG  26  66.074   8.565   9.380
  224    HE   ARG  26           HE       ARG  26  67.152   6.506   7.636
  225   1HH1  ARG  26          HH21      ARG  26  67.836   7.905  10.681
  226   2HH1  ARG  26          HH22      ARG  26  67.988   6.389  11.506
  227   1HH2  ARG  26          HH11      ARG  26  67.056   4.496   8.756
  228   2HH2  ARG  26          HH12      ARG  26  67.544   4.461  10.417
  229    H    LEU  27           HN       LEU  27  67.425   8.480   4.731
  230    HA   LEU  27           HA       LEU  27  70.151   8.199   5.773
  231   1HB   LEU  27           HB2      LEU  27  69.930   6.019   5.041
  232   2HB   LEU  27           HB1      LEU  27  68.222   6.442   5.157
  233    HG   LEU  27           HG       LEU  27  68.519   7.204   2.670
  234   1HD1  LEU  27          HD11      LEU  27  71.066   5.829   3.291
  235   2HD1  LEU  27          HD13      LEU  27  70.288   5.329   1.790
  236   3HD1  LEU  27          HD12      LEU  27  70.706   7.023   2.043
  237   1HD2  LEU  27          HD23      LEU  27  67.550   4.940   3.868
  238   2HD2  LEU  27          HD22      LEU  27  67.442   5.270   2.139
  239   3HD2  LEU  27          HD21      LEU  27  68.749   4.264   2.765
  240    H    ALA  28           HN       ALA  28  68.580   9.030   2.732
  241    HA   ALA  28           HA       ALA  28  71.019   9.014   1.167
  242   1HB   ALA  28           HB1      ALA  28  68.558   8.685   0.501
  243   2HB   ALA  28           HB3      ALA  28  68.419  10.440   0.603
  244   3HB   ALA  28           HB2      ALA  28  69.529   9.709  -0.557
  245    H    MET  29           HN       MET  29  69.055  11.552   2.748
  246    HA   MET  29           HA       MET  29  70.578  13.786   1.851
  247   1HB   MET  29           HB2      MET  29  69.585  14.897   3.774
  248   2HB   MET  29           HB1      MET  29  68.392  13.749   3.163
  249   1HG   MET  29           HG2      MET  29  68.939  12.151   4.877
  250   2HG   MET  29           HG1      MET  29  70.336  13.097   5.392
  251   1HE   MET  29           HE1      MET  29  70.355  15.264   5.909
  252   2HE   MET  29           HE3      MET  29  69.003  16.367   6.202
  253   3HE   MET  29           HE2      MET  29  69.687  15.433   7.529
  254    H    LYS  30           HN       LYS  30  71.140  11.275   4.206
  255    HA   LYS  30           HA       LYS  30  73.567  12.565   5.309
  256   1HB   LYS  30           HB2      LYS  30  71.697  10.401   5.949
  257   2HB   LYS  30           HB1      LYS  30  73.377   9.936   6.212
  258   1HG   LYS  30           HG2      LYS  30  73.499  11.205   8.065
  259   2HG   LYS  30           HG1      LYS  30  72.923  12.621   7.184
  260   1HD   LYS  30           HD2      LYS  30  70.684  12.193   7.689
  261   2HD   LYS  30           HD1      LYS  30  70.975  10.477   7.975
  262   1HE   LYS  30           HE2      LYS  30  72.080  12.672   9.760
  263   2HE   LYS  30           HE1      LYS  30  70.578  11.789  10.095
  264   1HZ   LYS  30           HZ2      LYS  30  72.003   9.720   9.653
  265   2HZ   LYS  30           HZ1      LYS  30  73.333  10.743   9.923
  266   3HZ   LYS  30           HZ3      LYS  30  72.183  10.506  11.149
  267    H    TYR  31           HN       TYR  31  72.661  10.428   2.759
  268    HA   TYR  31           HA       TYR  31  75.456   9.401   2.513
  269   1HB   TYR  31           HB2      TYR  31  72.735   8.377   2.010
  270   2HB   TYR  31           HB1      TYR  31  73.914   7.977   0.754
  271    HD1  TYR  31           HD2      TYR  31  74.299   8.445   4.442
  272    HD2  TYR  31           HD1      TYR  31  74.589   5.755   1.110
  273    HE1  TYR  31           HE2      TYR  31  75.291   6.729   5.919
  274    HE2  TYR  31           HE1      TYR  31  75.584   4.034   2.585
  275    HH   TYR  31           HH       TYR  31  75.487   4.214   5.944
  276    H    HIS  32           HN       HIS  32  73.872  11.931   1.488
  277    HA   HIS  32           HA       HIS  32  73.884  12.023  -1.329
  278   1HB   HIS  32           HB2      HIS  32  73.801  14.399  -0.840
  279   2HB   HIS  32           HB1      HIS  32  73.005  13.564   0.479
  280    HD1  HIS  32           HD1      HIS  32  73.950  13.785   2.779
  281    HD2  HIS  32           HD2      HIS  32  76.646  15.099  -0.112
  282    HE1  HIS  32           HE1      HIS  32  75.874  14.860   4.024
  283    HA   PRO  33           HA       PRO  33  78.077  12.529  -2.508
  284   1HB   PRO  33           HB2      PRO  33  78.850  15.140  -2.849
  285   2HB   PRO  33           HB1      PRO  33  77.837  14.250  -4.004
  286   1HG   PRO  33           HG2      PRO  33  77.052  16.221  -1.926
  287   2HG   PRO  33           HG1      PRO  33  76.406  15.978  -3.556
  288   1HD   PRO  33           HD2      PRO  33  75.189  15.129  -1.303
  289   2HD   PRO  33           HD1      PRO  33  74.971  14.337  -2.879
  290    H    ASP  34           HN       ASP  34  77.707  12.260   0.244
  291    HA   ASP  34           HA       ASP  34  79.767  13.919   1.592
  292   1HB   ASP  34           HB2      ASP  34  78.292  13.555   3.316
  293   2HB   ASP  34           HB1      ASP  34  77.320  12.526   2.271
  294    H    ARG  35           HN       ARG  35  78.877  10.623   0.747
  295    HA   ARG  35           HA       ARG  35  81.748   9.818   0.731
  296   1HB   ARG  35           HB2      ARG  35  80.992   7.693   1.790
  297   2HB   ARG  35           HB1      ARG  35  80.631   9.083   2.815
  298   1HG   ARG  35           HG2      ARG  35  78.616   7.846   2.823
  299   2HG   ARG  35           HG1      ARG  35  78.327   9.104   1.622
  300   1HD   ARG  35           HD2      ARG  35  77.961   7.529   0.067
  301   2HD   ARG  35           HD1      ARG  35  79.598   6.895   0.316
  302    HE   ARG  35           HE       ARG  35  77.245   6.061   1.977
  303   1HH1  ARG  35          HH11      ARG  35  79.989   5.488   3.064
  304   2HH1  ARG  35          HH12      ARG  35  80.275   3.881   2.483
  305   1HH2  ARG  35          HH21      ARG  35  77.745   3.999   0.117
  306   2HH2  ARG  35          HH22      ARG  35  79.006   3.039   0.813
  307    H    ASN  36           HN       ASN  36  78.447   9.539  -0.540
  308    HA   ASN  36           HA       ASN  36  78.599   7.332  -2.236
  309   1HB   ASN  36           HB2      ASN  36  77.300  10.025  -2.241
  310   2HB   ASN  36           HB1      ASN  36  77.200   9.071  -3.719
  311   1HD2  ASN  36          HD22      ASN  36  74.265   7.957  -1.854
  312   2HD2  ASN  36          HD21      ASN  36  74.766   9.274  -2.800
  313    H    GLN  37           HN       GLN  37  80.290  10.382  -2.477
  314    HA   GLN  37           HA       GLN  37  81.034  10.066  -5.286
  315   1HB   GLN  37           HB2      GLN  37  82.295  11.810  -3.154
  316   2HB   GLN  37           HB1      GLN  37  82.234  12.109  -4.891
  317   1HG   GLN  37           HG2      GLN  37  79.558  11.729  -3.903
  318   2HG   GLN  37           HG1      GLN  37  80.371  12.958  -2.933
  319   1HE2  GLN  37          HE22      GLN  37  80.850  15.173  -5.754
  320   2HE2  GLN  37          HE21      GLN  37  81.611  14.669  -4.323
  321    H    GLY  38           HN       GLY  38  81.904   8.306  -2.655
  322   1HA   GLY  38           HA2      GLY  38  84.739   8.030  -3.583
  323   2HA   GLY  38           HA1      GLY  38  84.209   7.676  -1.939
  324    H    ASP  39           HN       ASP  39  81.687   6.518  -3.453
  325    HA   ASP  39           HA       ASP  39  82.820   4.042  -4.601
  326   1HB   ASP  39           HB2      ASP  39  81.174   4.022  -2.048
  327   2HB   ASP  39           HB1      ASP  39  81.864   2.617  -2.861
  328    H    LYS  40           HN       LYS  40  81.479   3.758  -6.353
  329    HA   LYS  40           HA       LYS  40  78.696   4.708  -6.241
  330   1HB   LYS  40           HB2      LYS  40  80.726   4.020  -8.256
  331   2HB   LYS  40           HB1      LYS  40  79.100   3.493  -8.692
  332   1HG   LYS  40           HG2      LYS  40  79.671   5.830  -9.462
  333   2HG   LYS  40           HG1      LYS  40  78.232   5.731  -8.448
  334   1HD   LYS  40           HD2      LYS  40  79.528   7.577  -7.617
  335   2HD   LYS  40           HD1      LYS  40  79.727   6.258  -6.462
  336   1HE   LYS  40           HE2      LYS  40  81.911   5.731  -7.280
  337   2HE   LYS  40           HE1      LYS  40  81.684   6.729  -8.731
  338   1HZ   LYS  40           HZ1      LYS  40  81.571   7.789  -5.959
  339   2HZ   LYS  40           HZ3      LYS  40  82.959   7.854  -6.931
  340   3HZ   LYS  40           HZ2      LYS  40  81.554   8.686  -7.401
  341    H    GLU  41           HN       GLU  41  80.503   1.790  -6.116
  342    HA   GLU  41           HA       GLU  41  78.789  -0.273  -6.780
  343   1HB   GLU  41           HB2      GLU  41  79.861  -1.342  -4.689
  344   2HB   GLU  41           HB1      GLU  41  80.982  -0.651  -5.866
  345   1HG   GLU  41           HG2      GLU  41  81.265   1.350  -4.569
  346   2HG   GLU  41           HG1      GLU  41  79.911   0.934  -3.520
  347    H    ALA  42           HN       ALA  42  78.543   1.989  -4.089
  348    HA   ALA  42           HA       ALA  42  76.321   0.522  -2.798
  349   1HB   ALA  42           HB2      ALA  42  78.209   1.809  -1.657
  350   2HB   ALA  42           HB1      ALA  42  77.424   3.285  -2.222
  351   3HB   ALA  42           HB3      ALA  42  76.582   2.210  -1.105
  352    H    GLU  43           HN       GLU  43  76.749   2.929  -5.201
  353    HA   GLU  43           HA       GLU  43  74.681   4.730  -5.117
  354   1HB   GLU  43           HB2      GLU  43  76.221   4.283  -7.030
  355   2HB   GLU  43           HB1      GLU  43  75.254   2.859  -7.424
  356   1HG   GLU  43           HG2      GLU  43  73.768   4.123  -8.526
  357   2HG   GLU  43           HG1      GLU  43  73.504   5.107  -7.087
  358    H    ALA  44           HN       ALA  44  74.347   1.406  -6.290
  359    HA   ALA  44           HA       ALA  44  71.637   1.469  -6.846
  360   1HB   ALA  44           HB2      ALA  44  73.461  -0.293  -7.299
  361   2HB   ALA  44           HB1      ALA  44  73.070  -0.931  -5.702
  362   3HB   ALA  44           HB3      ALA  44  71.840  -0.903  -6.966
  363    H    LYS  45           HN       LYS  45  73.095   0.222  -3.803
  364    HA   LYS  45           HA       LYS  45  70.763  -0.383  -2.410
  365   1HB   LYS  45           HB2      LYS  45  72.959  -0.744  -1.463
  366   2HB   LYS  45           HB1      LYS  45  73.298   0.994  -1.470
  367   1HG   LYS  45           HG2      LYS  45  71.570   1.402   0.178
  368   2HG   LYS  45           HG1      LYS  45  71.014  -0.269   0.079
  369   1HD   LYS  45           HD2      LYS  45  72.373  -0.134   2.050
  370   2HD   LYS  45           HD1      LYS  45  73.347  -0.963   0.835
  371   1HE   LYS  45           HE2      LYS  45  74.880   0.624   1.613
  372   2HE   LYS  45           HE1      LYS  45  74.142   1.521   0.273
  373   1HZ   LYS  45           HZ2      LYS  45  72.439   1.800   2.446
  374   2HZ   LYS  45           HZ1      LYS  45  74.005   2.069   3.050
  375   3HZ   LYS  45           HZ3      LYS  45  73.426   2.997   1.755
  376    H    PHE  46           HN       PHE  46  71.959   2.780  -3.342
  377    HA   PHE  46           HA       PHE  46  70.300   4.305  -1.510
  378   1HB   PHE  46           HB2      PHE  46  71.495   5.096  -4.182
  379   2HB   PHE  46           HB1      PHE  46  71.047   6.178  -2.865
  380    HD1  PHE  46           HD2      PHE  46  72.078   3.870  -0.814
  381    HD2  PHE  46           HD1      PHE  46  73.796   6.122  -4.041
  382    HE1  PHE  46           HE2      PHE  46  74.331   3.581   0.185
  383    HE2  PHE  46           HE1      PHE  46  76.047   5.833  -3.045
  384    HZ   PHE  46           HZ       PHE  46  76.315   4.562  -0.934
  385    H    LYS  47           HN       LYS  47  69.980   3.436  -4.994
  386    HA   LYS  47           HA       LYS  47  67.234   4.549  -4.986
  387   1HB   LYS  47           HB2      LYS  47  67.582   4.633  -7.247
  388   2HB   LYS  47           HB1      LYS  47  69.259   4.269  -6.857
  389   1HG   LYS  47           HG2      LYS  47  67.182   2.120  -7.341
  390   2HG   LYS  47           HG1      LYS  47  68.210   2.771  -8.617
  391   1HD   LYS  47           HD2      LYS  47  69.978   2.209  -6.533
  392   2HD   LYS  47           HD1      LYS  47  68.862   0.842  -6.538
  393   1HE   LYS  47           HE2      LYS  47  70.455   1.872  -8.914
  394   2HE   LYS  47           HE1      LYS  47  70.651   0.309  -8.095
  395   1HZ   LYS  47           HZ2      LYS  47  68.067   0.226  -8.561
  396   2HZ   LYS  47           HZ1      LYS  47  68.512   1.222  -9.865
  397   3HZ   LYS  47           HZ3      LYS  47  69.198  -0.321  -9.706
  398    H    GLU  48           HN       GLU  48  68.902   1.534  -4.621
  399    HA   GLU  48           HA       GLU  48  66.967  -0.417  -5.225
  400   1HB   GLU  48           HB2      GLU  48  69.081  -0.014  -3.114
  401   2HB   GLU  48           HB1      GLU  48  68.067  -1.451  -3.056
  402   1HG   GLU  48           HG2      GLU  48  69.549  -0.611  -5.551
  403   2HG   GLU  48           HG1      GLU  48  70.263  -1.681  -4.343
  404    H    ILE  49           HN       ILE  49  67.341   1.808  -2.594
  405    HA   ILE  49           HA       ILE  49  65.254   0.899  -0.849
  406    HB   ILE  49           HB       ILE  49  66.462   3.625  -1.396
  407   1HG1  ILE  49          HG12      ILE  49  67.173   1.872   0.915
  408   2HG1  ILE  49          HG11      ILE  49  67.831   1.475  -0.669
  409   1HG2  ILE  49          HG23      ILE  49  64.259   3.535  -0.095
  410   2HG2  ILE  49          HG22      ILE  49  65.162   2.685   1.159
  411   3HG2  ILE  49          HG21      ILE  49  65.614   4.329   0.708
  412   1HD1  ILE  49          HD11      ILE  49  68.573   3.917  -0.817
  413   2HD1  ILE  49          HD13      ILE  49  68.194   4.031   0.902
  414   3HD1  ILE  49          HD12      ILE  49  69.441   2.914   0.344
  415    H    LYS  50           HN       LYS  50  65.414   3.282  -3.453
  416    HA   LYS  50           HA       LYS  50  62.791   4.334  -3.370
  417   1HB   LYS  50           HB2      LYS  50  64.932   4.787  -4.852
  418   2HB   LYS  50           HB1      LYS  50  64.165   3.649  -5.960
  419   1HG   LYS  50           HG2      LYS  50  62.031   5.141  -5.551
  420   2HG   LYS  50           HG1      LYS  50  63.219   6.355  -5.074
  421   1HD   LYS  50           HD2      LYS  50  63.924   6.668  -7.206
  422   2HD   LYS  50           HD1      LYS  50  63.916   4.939  -7.554
  423   1HE   LYS  50           HE2      LYS  50  62.059   5.325  -8.804
  424   2HE   LYS  50           HE1      LYS  50  61.203   5.617  -7.276
  425   1HZ   LYS  50           HZ2      LYS  50  62.266   7.919  -7.394
  426   2HZ   LYS  50           HZ1      LYS  50  62.548   7.576  -9.034
  427   3HZ   LYS  50           HZ3      LYS  50  60.961   7.609  -8.438
  428    H    GLU  51           HN       GLU  51  64.005   1.296  -4.723
  429    HA   GLU  51           HA       GLU  51  61.691   0.464  -6.166
  430   1HB   GLU  51           HB2      GLU  51  64.127  -0.466  -5.956
  431   2HB   GLU  51           HB1      GLU  51  63.480  -1.382  -4.594
  432   1HG   GLU  51           HG2      GLU  51  61.805  -2.419  -6.013
  433   2HG   GLU  51           HG1      GLU  51  62.282  -1.409  -7.379
  434    H    ALA  52           HN       ALA  52  62.575   0.162  -2.737
  435    HA   ALA  52           HA       ALA  52  60.703  -1.599  -1.707
  436   1HB   ALA  52           HB1      ALA  52  62.464  -0.072  -0.589
  437   2HB   ALA  52           HB3      ALA  52  61.194   1.152  -0.547
  438   3HB   ALA  52           HB2      ALA  52  60.982  -0.369   0.320
  439    H    TYR  53           HN       TYR  53  60.133   1.639  -2.981
  440    HA   TYR  53           HA       TYR  53  57.459   2.028  -2.061
  441   1HB   TYR  53           HB2      TYR  53  58.797   2.891  -4.652
  442   2HB   TYR  53           HB1      TYR  53  57.401   3.664  -3.908
  443    HD1  TYR  53           HD2      TYR  53  59.180   2.675  -1.149
  444    HD2  TYR  53           HD1      TYR  53  59.491   5.475  -4.397
  445    HE1  TYR  53           HE2      TYR  53  60.704   4.069   0.197
  446    HE2  TYR  53           HE1      TYR  53  61.005   6.875  -3.027
  447    HH   TYR  53           HH       TYR  53  61.589   7.268  -0.739
  448    H    GLU  54           HN       GLU  54  58.785   0.248  -4.819
  449    HA   GLU  54           HA       GLU  54  56.308  -0.289  -6.163
  450   1HB   GLU  54           HB2      GLU  54  58.606  -2.240  -5.910
  451   2HB   GLU  54           HB1      GLU  54  57.576  -1.943  -7.311
  452   1HG   GLU  54           HG2      GLU  54  58.720   0.535  -6.763
  453   2HG   GLU  54           HG1      GLU  54  60.032  -0.615  -6.514
  454    H    VAL  55           HN       VAL  55  57.629  -1.281  -3.153
  455    HA   VAL  55           HA       VAL  55  55.836  -3.615  -3.025
  456    HB   VAL  55           HB       VAL  55  58.468  -2.987  -2.160
  457   1HG1  VAL  55          HG13      VAL  55  56.493  -3.444   0.077
  458   2HG1  VAL  55          HG12      VAL  55  58.184  -3.906   0.229
  459   3HG1  VAL  55          HG11      VAL  55  57.754  -2.216  -0.031
  460   1HG2  VAL  55          HG21      VAL  55  56.759  -5.234  -2.649
  461   2HG2  VAL  55          HG23      VAL  55  58.522  -5.185  -2.606
  462   3HG2  VAL  55          HG22      VAL  55  57.611  -5.494  -1.128
  463    H    LEU  56           HN       LEU  56  56.778  -0.865  -0.856
  464    HA   LEU  56           HA       LEU  56  54.262  -1.313   0.600
  465   1HB   LEU  56           HB2      LEU  56  55.211  -0.080   2.319
  466   2HB   LEU  56           HB1      LEU  56  56.590  -0.879   1.596
  467    HG   LEU  56           HG       LEU  56  57.185   1.384   2.078
  468   1HD1  LEU  56          HD12      LEU  56  56.603   0.945  -0.836
  469   2HD1  LEU  56          HD11      LEU  56  57.579   2.281  -0.233
  470   3HD1  LEU  56          HD13      LEU  56  58.106   0.620   0.026
  471   1HD2  LEU  56          HD22      LEU  56  54.581   2.016   1.874
  472   2HD2  LEU  56          HD21      LEU  56  55.864   3.219   1.782
  473   3HD2  LEU  56          HD23      LEU  56  55.136   2.598   0.305
  474    H    THR  57           HN       THR  57  55.161   0.882  -1.948
  475    HA   THR  57           HA       THR  57  53.048   2.784  -1.076
  476    HB   THR  57           HB       THR  57  53.847   4.171  -2.883
  477    HG1  THR  57           HG1      THR  57  55.801   2.761  -3.928
  478   1HG2  THR  57          HG23      THR  57  55.987   2.764  -1.302
  479   2HG2  THR  57          HG22      THR  57  56.396   4.067  -2.414
  480   3HG2  THR  57          HG21      THR  57  55.316   4.374  -1.055
  481    H    ASP  58           HN       ASP  58  52.327   0.033  -1.790
  482    HA   ASP  58           HA       ASP  58  50.269   0.650  -3.827
  483   1HB   ASP  58           HB2      ASP  58  52.717  -0.744  -4.363
  484   2HB   ASP  58           HB1      ASP  58  51.386  -1.899  -4.465
  485    H    SER  59           HN       SER  59  48.475   0.086  -2.879
  486    HA   SER  59           HA       SER  59  48.037  -1.277  -0.597
  487   1HB   SER  59           HB2      SER  59  46.512  -1.054  -3.160
  488   2HB   SER  59           HB1      SER  59  45.839  -2.023  -1.852
  489    HG   SER  59           HG       SER  59  46.080   0.690  -2.101
  490    H    GLN  60           HN       GLN  60  48.230  -2.871  -3.790
  491    HA   GLN  60           HA       GLN  60  47.898  -5.546  -2.731
  492   1HB   GLN  60           HB2      GLN  60  48.330  -6.187  -4.988
  493   2HB   GLN  60           HB1      GLN  60  47.555  -4.607  -5.110
  494   1HG   GLN  60           HG2      GLN  60  49.894  -3.599  -5.141
  495   2HG   GLN  60           HG1      GLN  60  50.505  -5.241  -5.348
  496   1HE2  GLN  60          HE22      GLN  60  49.045  -5.576  -8.654
  497   2HE2  GLN  60          HE21      GLN  60  49.333  -6.482  -7.247
  498    H    LYS  61           HN       LYS  61  50.662  -3.464  -3.375
  499    HA   LYS  61           HA       LYS  61  52.692  -5.510  -2.918
  500   1HB   LYS  61           HB2      LYS  61  52.738  -2.487  -3.024
  501   2HB   LYS  61           HB1      LYS  61  54.151  -3.527  -3.090
  502   1HG   LYS  61           HG2      LYS  61  51.884  -3.557  -5.082
  503   2HG   LYS  61           HG1      LYS  61  53.469  -2.831  -5.347
  504   1HD   LYS  61           HD2      LYS  61  54.424  -5.158  -4.768
  505   2HD   LYS  61           HD1      LYS  61  52.780  -5.750  -5.011
  506   1HE   LYS  61           HE2      LYS  61  52.759  -4.931  -7.303
  507   2HE   LYS  61           HE1      LYS  61  54.337  -4.151  -7.074
  508   1HZ   LYS  61           HZ1      LYS  61  53.897  -7.040  -6.583
  509   2HZ   LYS  61           HZ3      LYS  61  54.392  -6.444  -8.092
  510   3HZ   LYS  61           HZ2      LYS  61  55.377  -6.218  -6.727
  511    H    ARG  62           HN       ARG  62  51.244  -2.915  -0.961
  512    HA   ARG  62           HA       ARG  62  53.003  -3.495   1.309
  513   1HB   ARG  62           HB2      ARG  62  51.653  -1.742   2.370
  514   2HB   ARG  62           HB1      ARG  62  52.056  -1.248   0.723
  515   1HG   ARG  62           HG2      ARG  62  49.895  -1.782  -0.087
  516   2HG   ARG  62           HG1      ARG  62  49.503  -2.737   1.340
  517   1HD   ARG  62           HD2      ARG  62  50.116   0.205   1.618
  518   2HD   ARG  62           HD1      ARG  62  48.488  -0.339   1.169
  519    HE   ARG  62           HE       ARG  62  49.852  -0.915   3.738
  520   1HH1  ARG  62          HH21      ARG  62  48.621  -3.411   3.391
  521   2HH1  ARG  62          HH22      ARG  62  46.953  -3.177   3.796
  522   1HH2  ARG  62          HH11      ARG  62  47.090   0.273   3.490
  523   2HH2  ARG  62          HH12      ARG  62  46.086  -1.091   3.854
  524    H    ALA  63           HN       ALA  63  50.048  -4.696   0.065
  525    HA   ALA  63           HA       ALA  63  49.057  -5.714   2.660
  526   1HB   ALA  63           HB2      ALA  63  48.161  -5.817  -0.232
  527   2HB   ALA  63           HB1      ALA  63  47.330  -6.731   1.027
  528   3HB   ALA  63           HB3      ALA  63  47.395  -4.971   1.113
  529    H    ALA  64           HN       ALA  64  50.993  -6.709  -0.022
  530    HA   ALA  64           HA       ALA  64  50.718  -9.581   0.338
  531   1HB   ALA  64           HB1      ALA  64  52.562  -7.662  -1.087
  532   2HB   ALA  64           HB3      ALA  64  52.897  -9.393  -1.086
  533   3HB   ALA  64           HB2      ALA  64  51.398  -8.786  -1.789
  534    H    TYR  65           HN       TYR  65  52.954  -7.056   1.440
  535    HA   TYR  65           HA       TYR  65  54.744  -8.926   2.797
  536   1HB   TYR  65           HB2      TYR  65  54.593  -6.186   1.968
  537   2HB   TYR  65           HB1      TYR  65  54.988  -6.228   3.695
  538    HD1  TYR  65           HD1      TYR  65  55.849  -8.311   0.685
  539    HD2  TYR  65           HD2      TYR  65  57.270  -6.198   4.145
  540    HE1  TYR  65           HE1      TYR  65  58.169  -9.011   0.159
  541    HE2  TYR  65           HE2      TYR  65  59.590  -6.896   3.616
  542    HH   TYR  65           HH       TYR  65  60.410  -9.315   1.803
  543    H    ASP  66           HN       ASP  66  52.338  -6.497   3.865
  544    HA   ASP  66           HA       ASP  66  52.575  -6.866   6.652
  545   1HB   ASP  66           HB2      ASP  66  50.604  -5.599   6.723
  546   2HB   ASP  66           HB1      ASP  66  51.227  -5.208   5.122
  547    H    GLN  67           HN       GLN  67  51.361  -9.069   4.291
  548    HA   GLN  67           HA       GLN  67  49.808 -10.601   6.316
  549   1HB   GLN  67           HB2      GLN  67  50.103 -10.609   3.309
  550   2HB   GLN  67           HB1      GLN  67  49.297 -11.935   4.149
  551   1HG   GLN  67           HG2      GLN  67  48.148  -9.706   5.312
  552   2HG   GLN  67           HG1      GLN  67  48.351  -9.202   3.633
  553   1HE2  GLN  67          HE22      GLN  67  46.414 -12.269   2.605
  554   2HE2  GLN  67          HE21      GLN  67  48.023 -11.776   2.378
  555    H    TYR  68           HN       TYR  68  52.961 -10.364   5.363
  556    HA   TYR  68           HA       TYR  68  54.812 -11.829   5.525
  557   1HB   TYR  68           HB2      TYR  68  52.643 -12.999   7.261
  558   2HB   TYR  68           HB1      TYR  68  54.232 -13.768   7.162
  559    HD1  TYR  68           HD1      TYR  68  52.503 -10.551   7.931
  560    HD2  TYR  68           HD2      TYR  68  56.085 -12.883   8.359
  561    HE1  TYR  68           HE1      TYR  68  53.389  -8.893   9.546
  562    HE2  TYR  68           HE2      TYR  68  56.971 -11.224   9.975
  563    HH   TYR  68           HH       TYR  68  56.182  -9.506  11.464
  564    H    GLY  69           HN       GLY  69  52.853 -12.213   3.294
  565   1HA   GLY  69           HA2      GLY  69  53.160 -13.787   1.468
  566   2HA   GLY  69           HA1      GLY  69  53.587 -15.026   2.653
  567    H    HIS  70           HN       HIS  70  51.647 -15.625   0.769
  568    HA   HIS  70           HA       HIS  70  48.977 -15.057   1.789
  569   1HB   HIS  70           HB2      HIS  70  48.342 -16.642  -0.012
  570   2HB   HIS  70           HB1      HIS  70  49.517 -15.458  -0.594
  571    HD1  HIS  70           HD1      HIS  70  51.706 -16.344  -1.480
  572    HD2  HIS  70           HD2      HIS  70  49.570 -19.249   0.614
  573    HE1  HIS  70           HE1      HIS  70  52.955 -18.523  -1.803
  574    H    ALA  71           HN       ALA  71  51.365 -16.915   3.071
  575    HA   ALA  71           HA       ALA  71  50.033 -19.414   3.634
  576   1HB   ALA  71           HB3      ALA  71  52.374 -17.847   4.697
  577   2HB   ALA  71           HB2      ALA  71  51.844 -19.301   5.543
  578   3HB   ALA  71           HB1      ALA  71  52.371 -19.400   3.861
  579    H    ALA  72           HN       ALA  72  50.298 -16.312   5.371
  580    HA   ALA  72           HA       ALA  72  49.135 -16.979   7.835
  581   1HB   ALA  72           HB2      ALA  72  49.800 -14.687   6.320
  582   2HB   ALA  72           HB1      ALA  72  48.118 -14.470   6.805
  583   3HB   ALA  72           HB3      ALA  72  49.361 -14.736   8.027
  584    H    PHE  73           HN       PHE  73  47.667 -16.893   4.682
  585    HA   PHE  73           HA       PHE  73  44.985 -17.364   5.948
  586   1HB   PHE  73           HB2      PHE  73  45.956 -15.507   3.884
  587   2HB   PHE  73           HB1      PHE  73  44.514 -16.405   3.397
  588    HD1  PHE  73           HD1      PHE  73  42.491 -16.404   4.939
  589    HD2  PHE  73           HD2      PHE  73  45.828 -13.752   5.475
  590    HE1  PHE  73           HE1      PHE  73  41.097 -14.940   6.375
  591    HE2  PHE  73           HE2      PHE  73  44.433 -12.288   6.912
  592    HZ   PHE  73           HZ       PHE  73  42.068 -12.882   7.362
  593    H    GLU  74           HN       GLU  74  47.325 -19.102   4.729
  594    HA   GLU  74           HA       GLU  74  47.440 -21.128   3.517
  595   1HB   GLU  74           HB2      GLU  74  44.423 -20.971   3.793
  596   2HB   GLU  74           HB1      GLU  74  45.398 -22.431   3.627
  597   1HG   GLU  74           HG2      GLU  74  45.497 -20.489   5.954
  598   2HG   GLU  74           HG1      GLU  74  44.763 -22.092   5.978
  599    H    GLN  75           HN       GLN  75  45.584 -22.154   1.610
  600    HA   GLN  75           HA       GLN  75  45.997 -20.195  -0.600
  601   1HB   GLN  75           HB2      GLN  75  45.516 -23.177  -0.405
  602   2HB   GLN  75           HB1      GLN  75  45.492 -22.323  -1.948
  603   1HG   GLN  75           HG2      GLN  75  47.820 -21.745  -0.209
  604   2HG   GLN  75           HG1      GLN  75  47.747 -23.381  -0.866
  605   1HE2  GLN  75          HE22      GLN  75  49.463 -21.654  -3.552
  606   2HE2  GLN  75          HE21      GLN  75  49.770 -22.422  -2.070
  607    H    GLY  76           HN       GLY  76  43.737 -20.056   1.399
  608   1HA   GLY  76           HA2      GLY  76  41.530 -19.198   1.047
  609   2HA   GLY  76           HA1      GLY  76  41.566 -19.848  -0.593
  610    H    GLY  77           HN       GLY  77  39.667 -20.183   1.824
  611   1HA   GLY  77           HA2      GLY  77  38.164 -22.202   1.706
  612   2HA   GLY  77           HA1      GLY  77  39.635 -23.175   1.762
   
  No H/Q in entry =         612
  Start of MODEL   10
    1   1H    ALA   1           HT1      ALA   1  72.636 -11.761   5.334
    2   2H    ALA   1           HT3      ALA   1  72.214 -12.704   6.679
    3   3H    ALA   1           HT2      ALA   1  71.486 -13.001   5.173
    4    HA   ALA   1           HA       ALA   1  69.945 -11.813   6.611
    5   1HB   ALA   1           HB3      ALA   1  72.479 -10.428   7.105
    6   2HB   ALA   1           HB2      ALA   1  71.139  -9.310   6.854
    7   3HB   ALA   1           HB1      ALA   1  71.044 -10.527   8.126
    8    H    LYS   2           HN       LYS   2  68.444 -11.233   5.092
    9    HA   LYS   2           HA       LYS   2  69.344  -9.705   2.683
   10   1HB   LYS   2           HB2      LYS   2  67.817 -12.009   3.075
   11   2HB   LYS   2           HB1      LYS   2  66.616 -10.766   2.726
   12   1HG   LYS   2           HG2      LYS   2  68.937 -10.557   0.970
   13   2HG   LYS   2           HG1      LYS   2  68.153 -12.132   0.843
   14   1HD   LYS   2           HD2      LYS   2  65.984 -11.044   0.457
   15   2HD   LYS   2           HD1      LYS   2  66.739  -9.458   0.622
   16   1HE   LYS   2           HE2      LYS   2  67.851  -9.623  -1.425
   17   2HE   LYS   2           HE1      LYS   2  67.835 -11.397  -1.405
   18   1HZ   LYS   2           HZ1      LYS   2  65.189 -10.444  -1.245
   19   2HZ   LYS   2           HZ3      LYS   2  65.949  -9.691  -2.561
   20   3HZ   LYS   2           HZ2      LYS   2  65.899 -11.386  -2.466
   21    H    GLN   3           HN       GLN   3  69.249  -7.557   3.540
   22    HA   GLN   3           HA       GLN   3  67.258  -6.445   5.192
   23   1HB   GLN   3           HB2      GLN   3  69.517  -5.616   3.895
   24   2HB   GLN   3           HB1      GLN   3  68.273  -4.755   2.987
   25   1HG   GLN   3           HG2      GLN   3  67.390  -3.768   5.021
   26   2HG   GLN   3           HG1      GLN   3  68.486  -4.735   6.010
   27   1HE2  GLN   3          HE22      GLN   3  70.857  -2.384   3.761
   28   2HE2  GLN   3          HE21      GLN   3  70.020  -3.708   3.113
   29    H    ASP   4           HN       ASP   4  65.105  -6.869   4.732
   30    HA   ASP   4           HA       ASP   4  64.037  -6.775   2.012
   31   1HB   ASP   4           HB2      ASP   4  62.517  -8.087   3.049
   32   2HB   ASP   4           HB1      ASP   4  63.367  -7.817   4.569
   33    H    TYR   5           HN       TYR   5  62.838  -5.225   1.108
   34    HA   TYR   5           HA       TYR   5  63.229  -2.575   1.259
   35   1HB   TYR   5           HB2      TYR   5  60.430  -2.715   1.017
   36   2HB   TYR   5           HB1      TYR   5  61.629  -2.737  -0.273
   37    HD1  TYR   5           HD1      TYR   5  59.645  -4.896   1.994
   38    HD2  TYR   5           HD2      TYR   5  62.191  -4.693  -1.451
   39    HE1  TYR   5           HE1      TYR   5  59.116  -7.263   1.470
   40    HE2  TYR   5           HE2      TYR   5  61.658  -7.056  -1.993
   41    HH   TYR   5           HH       TYR   5  60.698  -8.943  -1.233
   42    H    TYR   6           HN       TYR   6  60.572  -3.969   3.277
   43    HA   TYR   6           HA       TYR   6  60.102  -1.590   4.751
   44   1HB   TYR   6           HB2      TYR   6  59.768  -4.533   5.284
   45   2HB   TYR   6           HB1      TYR   6  59.308  -3.334   6.500
   46    HD1  TYR   6           HD2      TYR   6  58.332  -1.089   4.976
   47    HD2  TYR   6           HD1      TYR   6  57.787  -5.288   4.244
   48    HE1  TYR   6           HE2      TYR   6  56.256  -0.598   3.722
   49    HE2  TYR   6           HE1      TYR   6  55.706  -4.790   2.987
   50    HH   TYR   6           HH       TYR   6  54.855  -2.633   1.660
   51    H    GLU   7           HN       GLU   7  62.612  -3.986   4.924
   52    HA   GLU   7           HA       GLU   7  63.754  -2.871   7.435
   53   1HB   GLU   7           HB2      GLU   7  63.630  -5.364   6.590
   54   2HB   GLU   7           HB1      GLU   7  65.003  -4.904   5.584
   55   1HG   GLU   7           HG2      GLU   7  66.325  -4.323   7.502
   56   2HG   GLU   7           HG1      GLU   7  64.930  -4.451   8.576
   57    H    ILE   8           HN       ILE   8  64.032  -2.759   3.960
   58    HA   ILE   8           HA       ILE   8  66.639  -1.780   3.578
   59    HB   ILE   8           HB       ILE   8  64.034  -1.322   2.143
   60   1HG1  ILE   8          HG12      ILE   8  65.181  -3.635   2.299
   61   2HG1  ILE   8          HG11      ILE   8  64.831  -3.054   0.674
   62   1HG2  ILE   8          HG21      ILE   8  66.816  -0.358   1.545
   63   2HG2  ILE   8          HG23      ILE   8  65.676  -0.686   0.239
   64   3HG2  ILE   8          HG22      ILE   8  65.291   0.524   1.464
   65   1HD1  ILE   8          HD12      ILE   8  67.493  -2.673   2.053
   66   2HD1  ILE   8          HD11      ILE   8  67.138  -4.008   0.956
   67   3HD1  ILE   8          HD13      ILE   8  67.108  -2.347   0.363
   68    H    LEU   9           HN       LEU   9  63.600  -0.067   4.161
   69    HA   LEU   9           HA       LEU   9  64.893   2.590   4.317
   70   1HB   LEU   9           HB2      LEU   9  62.091   1.617   4.927
   71   2HB   LEU   9           HB1      LEU   9  62.567   3.281   4.586
   72    HG   LEU   9           HG       LEU   9  63.490   1.459   2.531
   73   1HD1  LEU   9          HD12      LEU   9  60.903   0.881   3.593
   74   2HD1  LEU   9          HD11      LEU   9  60.688   1.623   2.007
   75   3HD1  LEU   9          HD13      LEU   9  61.681   0.176   2.176
   76   1HD2  LEU   9          HD23      LEU   9  61.676   3.882   2.619
   77   2HD2  LEU   9          HD22      LEU   9  63.384   3.850   2.193
   78   3HD2  LEU   9          HD21      LEU   9  62.194   3.113   1.120
   79    H    GLY  10           HN       GLY  10  64.865  -0.003   6.343
   80   1HA   GLY  10           HA2      GLY  10  65.456  -0.161   8.613
   81   2HA   GLY  10           HA1      GLY  10  65.462   1.601   8.691
   82    H    VAL  11           HN       VAL  11  62.598   0.146   7.394
   83    HA   VAL  11           HA       VAL  11  61.176   0.910   9.921
   84    HB   VAL  11           HB       VAL  11  59.452   0.257   7.709
   85   1HG1  VAL  11          HG12      VAL  11  60.110   2.730   9.291
   86   2HG1  VAL  11          HG11      VAL  11  58.894   2.728   8.013
   87   3HG1  VAL  11          HG13      VAL  11  58.693   1.688   9.423
   88   1HG2  VAL  11          HG21      VAL  11  61.837   1.924   7.058
   89   2HG2  VAL  11          HG23      VAL  11  60.910   0.824   6.039
   90   3HG2  VAL  11          HG22      VAL  11  60.270   2.420   6.430
   91    H    SER  12           HN       SER  12  59.022  -0.408  10.099
   92    HA   SER  12           HA       SER  12  59.742  -3.256  10.300
   93   1HB   SER  12           HB2      SER  12  57.247  -1.732  11.085
   94   2HB   SER  12           HB1      SER  12  57.685  -3.352  11.621
   95    HG   SER  12           HG       SER  12  59.253  -2.530  12.862
   96    H    LYS  13           HN       LYS  13  58.509  -4.919   9.217
   97    HA   LYS  13           HA       LYS  13  57.732  -4.408   6.563
   98   1HB   LYS  13           HB2      LYS  13  56.519  -6.594   6.812
   99   2HB   LYS  13           HB1      LYS  13  58.194  -6.621   7.364
  100   1HG   LYS  13           HG2      LYS  13  56.484  -5.784   9.529
  101   2HG   LYS  13           HG1      LYS  13  55.887  -7.304   8.860
  102   1HD   LYS  13           HD2      LYS  13  58.825  -7.137   9.204
  103   2HD   LYS  13           HD1      LYS  13  57.887  -7.164  10.698
  104   1HE   LYS  13           HE2      LYS  13  57.034  -9.118   8.627
  105   2HE   LYS  13           HE1      LYS  13  58.607  -9.431   9.389
  106   1HZ   LYS  13           HZ2      LYS  13  56.154  -8.736  10.910
  107   2HZ   LYS  13           HZ1      LYS  13  56.662 -10.334  10.643
  108   3HZ   LYS  13           HZ3      LYS  13  57.638  -9.272  11.538
  109    H    THR  14           HN       THR  14  56.114  -3.751   9.513
  110    HA   THR  14           HA       THR  14  53.502  -3.298   8.162
  111    HB   THR  14           HB       THR  14  52.603  -3.547  10.303
  112    HG1  THR  14           HG1      THR  14  53.390  -2.436  11.885
  113   1HG2  THR  14          HG23      THR  14  54.058  -5.545   9.655
  114   2HG2  THR  14          HG22      THR  14  55.264  -4.907  10.771
  115   3HG2  THR  14          HG21      THR  14  53.679  -5.396  11.371
  116    H    ALA  15           HN       ALA  15  56.266  -1.623   8.377
  117    HA   ALA  15           HA       ALA  15  55.845   0.830   9.651
  118   1HB   ALA  15           HB2      ALA  15  57.208   0.003   7.092
  119   2HB   ALA  15           HB1      ALA  15  57.427   1.585   7.832
  120   3HB   ALA  15           HB3      ALA  15  57.918   0.138   8.701
  121    H    GLU  16           HN       GLU  16  56.185   2.341   6.990
  122    HA   GLU  16           HA       GLU  16  53.658   2.367   5.617
  123   1HB   GLU  16           HB2      GLU  16  53.983   3.787   8.178
  124   2HB   GLU  16           HB1      GLU  16  53.364   4.809   6.875
  125   1HG   GLU  16           HG2      GLU  16  51.862   2.600   6.469
  126   2HG   GLU  16           HG1      GLU  16  52.106   2.475   8.213
  127    H    GLU  17           HN       GLU  17  54.054   3.421   3.723
  128    HA   GLU  17           HA       GLU  17  56.386   4.359   2.704
  129   1HB   GLU  17           HB2      GLU  17  54.930   5.869   1.284
  130   2HB   GLU  17           HB1      GLU  17  54.355   4.209   1.411
  131   1HG   GLU  17           HG2      GLU  17  52.609   4.779   2.856
  132   2HG   GLU  17           HG1      GLU  17  53.393   6.273   3.371
  133    H    ARG  18           HN       ARG  18  54.371   6.216   4.950
  134    HA   ARG  18           HA       ARG  18  55.512   8.781   4.558
  135   1HB   ARG  18           HB2      ARG  18  54.655   9.148   6.894
  136   2HB   ARG  18           HB1      ARG  18  53.481   8.365   5.833
  137   1HG   ARG  18           HG2      ARG  18  54.648   6.157   6.769
  138   2HG   ARG  18           HG1      ARG  18  55.027   7.221   8.122
  139   1HD   ARG  18           HD2      ARG  18  52.244   6.741   6.992
  140   2HD   ARG  18           HD1      ARG  18  52.867   6.101   8.527
  141    HE   ARG  18           HE       ARG  18  53.355   8.823   8.704
  142   1HH1  ARG  18          HH11      ARG  18  50.722   6.637   8.612
  143   2HH1  ARG  18          HH12      ARG  18  49.534   7.822   9.040
  144   1HH2  ARG  18          HH21      ARG  18  51.781  10.464   9.026
  145   2HH2  ARG  18          HH22      ARG  18  50.134   9.989   9.276
  146    H    GLU  19           HN       GLU  19  56.546   6.243   6.818
  147    HA   GLU  19           HA       GLU  19  58.887   7.816   7.619
  148   1HB   GLU  19           HB2      GLU  19  59.186   5.676   9.042
  149   2HB   GLU  19           HB1      GLU  19  57.800   6.687   9.412
  150   1HG   GLU  19           HG2      GLU  19  56.304   5.205   8.308
  151   2HG   GLU  19           HG1      GLU  19  57.622   4.353   7.500
  152    H    ILE  20           HN       ILE  20  57.919   5.491   5.317
  153    HA   ILE  20           HA       ILE  20  60.568   4.258   4.952
  154    HB   ILE  20           HB       ILE  20  57.798   3.941   4.046
  155   1HG1  ILE  20          HG12      ILE  20  59.103   1.638   3.419
  156   2HG1  ILE  20          HG11      ILE  20  60.214   2.327   4.598
  157   1HG2  ILE  20          HG22      ILE  20  59.960   4.107   1.984
  158   2HG2  ILE  20          HG21      ILE  20  58.773   2.823   1.833
  159   3HG2  ILE  20          HG23      ILE  20  58.247   4.501   1.848
  160   1HD1  ILE  20          HD11      ILE  20  58.255   2.656   6.143
  161   2HD1  ILE  20          HD13      ILE  20  57.263   1.766   4.986
  162   3HD1  ILE  20          HD12      ILE  20  58.612   0.964   5.792
  163    H    ARG  21           HN       ARG  21  58.429   6.517   3.206
  164    HA   ARG  21           HA       ARG  21  60.262   7.296   1.161
  165   1HB   ARG  21           HB2      ARG  21  58.784   9.285   1.047
  166   2HB   ARG  21           HB1      ARG  21  57.810   7.840   1.310
  167   1HG   ARG  21           HG2      ARG  21  56.933   9.306   2.903
  168   2HG   ARG  21           HG1      ARG  21  58.120   8.409   3.843
  169   1HD   ARG  21           HD2      ARG  21  58.959  10.455   4.415
  170   2HD   ARG  21           HD1      ARG  21  59.613  10.502   2.768
  171    HE   ARG  21           HE       ARG  21  57.539  11.653   2.055
  172   1HH1  ARG  21          HH21      ARG  21  57.323  10.791   5.327
  173   2HH1  ARG  21          HH22      ARG  21  56.614  12.285   5.840
  174   1HH2  ARG  21          HH11      ARG  21  56.971  13.820   2.748
  175   2HH2  ARG  21          HH12      ARG  21  56.414  14.002   4.378
  176    H    LYS  22           HN       LYS  22  59.811   8.140   4.490
  177    HA   LYS  22           HA       LYS  22  61.693  10.342   4.619
  178   1HB   LYS  22           HB2      LYS  22  59.586   9.621   6.045
  179   2HB   LYS  22           HB1      LYS  22  60.755   8.635   6.924
  180   1HG   LYS  22           HG2      LYS  22  61.131  11.601   6.410
  181   2HG   LYS  22           HG1      LYS  22  60.404  10.955   7.882
  182   1HD   LYS  22           HD2      LYS  22  63.141  10.139   6.882
  183   2HD   LYS  22           HD1      LYS  22  62.881  11.418   8.056
  184   1HE   LYS  22           HE2      LYS  22  62.554   9.928   9.737
  185   2HE   LYS  22           HE1      LYS  22  61.417   8.983   8.757
  186   1HZ   LYS  22           HZ3      LYS  22  63.696   8.495   7.478
  187   2HZ   LYS  22           HZ2      LYS  22  64.293   8.679   9.057
  188   3HZ   LYS  22           HZ1      LYS  22  63.107   7.510   8.726
  189    H    ALA  23           HN       ALA  23  61.709   6.943   5.707
  190    HA   ALA  23           HA       ALA  23  64.183   6.708   6.923
  191   1HB   ALA  23           HB1      ALA  23  62.347   5.015   5.347
  192   2HB   ALA  23           HB3      ALA  23  63.999   4.404   5.452
  193   3HB   ALA  23           HB2      ALA  23  63.076   4.714   6.923
  194    H    TYR  24           HN       TYR  24  63.539   6.468   3.420
  195    HA   TYR  24           HA       TYR  24  66.326   6.232   2.674
  196   1HB   TYR  24           HB2      TYR  24  64.224   5.526   1.409
  197   2HB   TYR  24           HB1      TYR  24  63.938   7.229   1.069
  198    HD1  TYR  24           HD1      TYR  24  67.186   5.371   1.195
  199    HD2  TYR  24           HD2      TYR  24  64.337   7.481  -1.231
  200    HE1  TYR  24           HE1      TYR  24  68.756   5.290  -0.724
  201    HE2  TYR  24           HE2      TYR  24  65.906   7.398  -3.149
  202    HH   TYR  24           HH       TYR  24  68.833   7.094  -3.114
  203    H    LYS  25           HN       LYS  25  63.925   8.797   2.834
  204    HA   LYS  25           HA       LYS  25  65.325  11.025   1.860
  205   1HB   LYS  25           HB2      LYS  25  63.013  10.316   3.352
  206   2HB   LYS  25           HB1      LYS  25  63.797  11.635   4.213
  207   1HG   LYS  25           HG2      LYS  25  62.901  13.061   2.716
  208   2HG   LYS  25           HG1      LYS  25  63.917  12.320   1.477
  209   1HD   LYS  25           HD2      LYS  25  62.195  10.631   1.040
  210   2HD   LYS  25           HD1      LYS  25  61.184  11.312   2.316
  211   1HE   LYS  25           HE2      LYS  25  60.264  12.454   0.528
  212   2HE   LYS  25           HE1      LYS  25  61.630  13.548   0.831
  213   1HZ   LYS  25           HZ2      LYS  25  62.117  11.146  -0.768
  214   2HZ   LYS  25           HZ1      LYS  25  61.286  12.426  -1.513
  215   3HZ   LYS  25           HZ3      LYS  25  62.838  12.680  -0.876
  216    H    ARG  26           HN       ARG  26  65.592   9.361   4.961
  217    HA   ARG  26           HA       ARG  26  67.185  11.450   6.230
  218   1HB   ARG  26           HB2      ARG  26  66.055   8.774   6.824
  219   2HB   ARG  26           HB1      ARG  26  67.487   9.224   7.750
  220   1HG   ARG  26           HG2      ARG  26  65.864  11.524   7.711
  221   2HG   ARG  26           HG1      ARG  26  64.771  10.177   8.031
  222   1HD   ARG  26           HD2      ARG  26  65.816  11.174  10.118
  223   2HD   ARG  26           HD1      ARG  26  66.145   9.442   9.911
  224    HE   ARG  26           HE       ARG  26  68.100  11.375   8.779
  225   1HH1  ARG  26          HH11      ARG  26  68.750   8.483   8.960
  226   2HH1  ARG  26          HH12      ARG  26  69.688   8.396  10.413
  227   1HH2  ARG  26          HH21      ARG  26  68.650  11.488  11.589
  228   2HH2  ARG  26          HH22      ARG  26  69.626  10.093  11.904
  229    H    LEU  27           HN       LEU  27  67.879   8.136   5.065
  230    HA   LEU  27           HA       LEU  27  70.757   8.425   5.464
  231   1HB   LEU  27           HB2      LEU  27  70.780   6.150   4.834
  232   2HB   LEU  27           HB1      LEU  27  69.198   6.347   5.587
  233    HG   LEU  27           HG       LEU  27  68.518   6.957   3.076
  234   1HD1  LEU  27          HD13      LEU  27  71.049   6.489   2.525
  235   2HD1  LEU  27          HD12      LEU  27  70.544   4.799   2.572
  236   3HD1  LEU  27          HD11      LEU  27  69.795   5.913   1.426
  237   1HD2  LEU  27          HD22      LEU  27  67.698   5.099   4.633
  238   2HD2  LEU  27          HD21      LEU  27  67.629   4.744   2.907
  239   3HD2  LEU  27          HD23      LEU  27  68.927   4.074   3.893
  240    H    ALA  28           HN       ALA  28  68.481   8.730   2.813
  241    HA   ALA  28           HA       ALA  28  70.449   8.696   0.702
  242   1HB   ALA  28           HB1      ALA  28  67.965   8.174   0.639
  243   2HB   ALA  28           HB3      ALA  28  67.675   9.909   0.770
  244   3HB   ALA  28           HB2      ALA  28  68.520   9.259  -0.636
  245    H    MET  29           HN       MET  29  68.883  11.257   2.614
  246    HA   MET  29           HA       MET  29  70.016  13.437   1.095
  247   1HB   MET  29           HB2      MET  29  69.362  14.753   3.058
  248   2HB   MET  29           HB1      MET  29  68.104  13.560   2.732
  249   1HG   MET  29           HG2      MET  29  68.764  12.193   4.533
  250   2HG   MET  29           HG1      MET  29  70.353  12.947   4.642
  251   1HE   MET  29           HE1      MET  29  70.899  15.057   5.234
  252   2HE   MET  29           HE3      MET  29  69.693  16.233   4.693
  253   3HE   MET  29           HE2      MET  29  70.082  16.090   6.405
  254    H    LYS  30           HN       LYS  30  71.165  11.284   3.590
  255    HA   LYS  30           HA       LYS  30  73.628  12.855   4.057
  256   1HB   LYS  30           HB2      LYS  30  72.138  10.604   5.256
  257   2HB   LYS  30           HB1      LYS  30  73.893  10.456   5.360
  258   1HG   LYS  30           HG2      LYS  30  74.019  12.079   6.924
  259   2HG   LYS  30           HG1      LYS  30  73.022  13.168   5.961
  260   1HD   LYS  30           HD2      LYS  30  71.456  12.869   7.572
  261   2HD   LYS  30           HD1      LYS  30  71.184  11.302   6.812
  262   1HE   LYS  30           HE2      LYS  30  73.358  11.624   8.882
  263   2HE   LYS  30           HE1      LYS  30  71.677  11.320   9.366
  264   1HZ   LYS  30           HZ2      LYS  30  71.624   9.439   7.831
  265   2HZ   LYS  30           HZ1      LYS  30  73.258   9.698   7.442
  266   3HZ   LYS  30           HZ3      LYS  30  72.827   9.231   9.014
  267    H    TYR  31           HN       TYR  31  72.512  10.347   1.955
  268    HA   TYR  31           HA       TYR  31  75.318   9.482   1.415
  269   1HB   TYR  31           HB2      TYR  31  72.646   8.243   1.349
  270   2HB   TYR  31           HB1      TYR  31  73.661   7.833  -0.037
  271    HD1  TYR  31           HD2      TYR  31  75.158   8.760   3.180
  272    HD2  TYR  31           HD1      TYR  31  73.914   5.488   0.692
  273    HE1  TYR  31           HE2      TYR  31  76.455   7.195   4.593
  274    HE2  TYR  31           HE1      TYR  31  75.213   3.922   2.103
  275    HH   TYR  31           HH       TYR  31  76.150   3.758   4.283
  276    H    HIS  32           HN       HIS  32  73.261  11.729   0.388
  277    HA   HIS  32           HA       HIS  32  73.160  11.623  -2.437
  278   1HB   HIS  32           HB2      HIS  32  72.682  14.014  -2.067
  279   2HB   HIS  32           HB1      HIS  32  71.945  13.049  -0.807
  280    HD1  HIS  32           HD1      HIS  32  73.040  16.083  -0.535
  281    HD2  HIS  32           HD2      HIS  32  74.832  12.627   0.955
  282    HE1  HIS  32           HE1      HIS  32  74.525  16.821   1.378
  283    HA   PRO  33           HA       PRO  33  77.110  12.938  -3.824
  284   1HB   PRO  33           HB2      PRO  33  77.536  15.644  -3.988
  285   2HB   PRO  33           HB1      PRO  33  76.559  14.725  -5.151
  286   1HG   PRO  33           HG2      PRO  33  75.688  16.417  -2.876
  287   2HG   PRO  33           HG1      PRO  33  74.959  16.206  -4.474
  288   1HD   PRO  33           HD2      PRO  33  74.038  15.061  -2.216
  289   2HD   PRO  33           HD1      PRO  33  73.785  14.375  -3.834
  290    H    ASP  34           HN       ASP  34  77.105  12.296  -1.211
  291    HA   ASP  34           HA       ASP  34  79.092  14.106   0.112
  292   1HB   ASP  34           HB2      ASP  34  77.738  13.775   1.917
  293   2HB   ASP  34           HB1      ASP  34  76.693  12.753   0.940
  294    H    ARG  35           HN       ARG  35  78.265  10.755  -0.673
  295    HA   ARG  35           HA       ARG  35  81.157  10.064  -0.817
  296   1HB   ARG  35           HB2      ARG  35  80.631   8.036   0.545
  297   2HB   ARG  35           HB1      ARG  35  80.340   9.530   1.441
  298   1HG   ARG  35           HG2      ARG  35  78.386   8.266   1.841
  299   2HG   ARG  35           HG1      ARG  35  77.915   9.355   0.537
  300   1HD   ARG  35           HD2      ARG  35  77.416   7.582  -0.753
  301   2HD   ARG  35           HD1      ARG  35  79.096   7.024  -0.634
  302    HE   ARG  35           HE       ARG  35  76.889   6.225   1.205
  303   1HH1  ARG  35          HH11      ARG  35  80.077   6.671   1.746
  304   2HH1  ARG  35          HH12      ARG  35  80.501   5.006   1.967
  305   1HH2  ARG  35          HH21      ARG  35  77.461   3.803   0.812
  306   2HH2  ARG  35          HH22      ARG  35  79.021   3.382   1.434
  307    H    ASN  36           HN       ASN  36  77.777   9.435  -1.677
  308    HA   ASN  36           HA       ASN  36  77.919   7.036  -3.082
  309   1HB   ASN  36           HB2      ASN  36  76.402   9.599  -3.260
  310   2HB   ASN  36           HB1      ASN  36  76.240   8.473  -4.606
  311   1HD2  ASN  36          HD22      ASN  36  73.614   7.407  -2.273
  312   2HD2  ASN  36          HD21      ASN  36  73.903   8.670  -3.369
  313    H    GLN  37           HN       GLN  37  79.426  10.069  -3.861
  314    HA   GLN  37           HA       GLN  37  79.844   9.475  -6.697
  315   1HB   GLN  37           HB2      GLN  37  81.188  11.472  -4.846
  316   2HB   GLN  37           HB1      GLN  37  81.102  11.561  -6.605
  317   1HG   GLN  37           HG2      GLN  37  78.564  11.394  -5.005
  318   2HG   GLN  37           HG1      GLN  37  79.397  12.941  -5.161
  319   1HE2  GLN  37          HE22      GLN  37  78.086  13.482  -8.371
  320   2HE2  GLN  37          HE21      GLN  37  78.694  14.135  -6.926
  321    H    GLY  38           HN       GLY  38  81.044   8.011  -4.015
  322   1HA   GLY  38           HA2      GLY  38  83.690   7.532  -5.333
  323   2HA   GLY  38           HA1      GLY  38  83.566   7.732  -3.587
  324    H    ASP  39           HN       ASP  39  80.966   6.051  -5.144
  325    HA   ASP  39           HA       ASP  39  82.064   3.387  -5.063
  326   1HB   ASP  39           HB2      ASP  39  81.538   4.619  -2.574
  327   2HB   ASP  39           HB1      ASP  39  80.241   3.449  -2.816
  328    H    LYS  40           HN       LYS  40  80.770   2.634  -6.715
  329    HA   LYS  40           HA       LYS  40  77.938   3.414  -6.866
  330   1HB   LYS  40           HB2      LYS  40  79.702   1.639  -8.584
  331   2HB   LYS  40           HB1      LYS  40  78.080   2.172  -9.022
  332   1HG   LYS  40           HG2      LYS  40  79.308   4.549  -8.375
  333   2HG   LYS  40           HG1      LYS  40  80.625   3.643  -9.122
  334   1HD   LYS  40           HD2      LYS  40  78.138   3.315 -10.597
  335   2HD   LYS  40           HD1      LYS  40  78.591   5.015 -10.467
  336   1HE   LYS  40           HE2      LYS  40  80.428   4.752 -11.808
  337   2HE   LYS  40           HE1      LYS  40  80.821   3.166 -11.114
  338   1HZ   LYS  40           HZ2      LYS  40  78.572   2.515 -12.237
  339   2HZ   LYS  40           HZ1      LYS  40  78.916   3.837 -13.247
  340   3HZ   LYS  40           HZ3      LYS  40  80.005   2.540 -13.149
  341    H    GLU  41           HN       GLU  41  79.915   0.742  -5.987
  342    HA   GLU  41           HA       GLU  41  78.339  -1.521  -5.999
  343   1HB   GLU  41           HB2      GLU  41  79.503  -1.893  -3.728
  344   2HB   GLU  41           HB1      GLU  41  80.562  -1.478  -5.081
  345   1HG   GLU  41           HG2      GLU  41  80.689   0.823  -4.394
  346   2HG   GLU  41           HG1      GLU  41  79.396   0.607  -3.217
  347    H    ALA  42           HN       ALA  42  77.951   1.378  -4.026
  348    HA   ALA  42           HA       ALA  42  75.855   0.171  -2.325
  349   1HB   ALA  42           HB1      ALA  42  77.619   1.815  -1.571
  350   2HB   ALA  42           HB3      ALA  42  76.827   3.034  -2.569
  351   3HB   ALA  42           HB2      ALA  42  75.970   2.321  -1.204
  352    H    GLU  43           HN       GLU  43  76.084   1.870  -5.308
  353    HA   GLU  43           HA       GLU  43  73.869   3.468  -5.630
  354   1HB   GLU  43           HB2      GLU  43  75.481   2.569  -7.379
  355   2HB   GLU  43           HB1      GLU  43  74.471   1.123  -7.439
  356   1HG   GLU  43           HG2      GLU  43  73.063   2.164  -8.838
  357   2HG   GLU  43           HG1      GLU  43  72.739   3.376  -7.598
  358    H    ALA  44           HN       ALA  44  73.829  -0.085  -5.683
  359    HA   ALA  44           HA       ALA  44  71.109  -0.372  -6.235
  360   1HB   ALA  44           HB2      ALA  44  73.321  -1.977  -5.116
  361   2HB   ALA  44           HB1      ALA  44  71.711  -2.566  -4.705
  362   3HB   ALA  44           HB3      ALA  44  72.180  -2.388  -6.396
  363    H    LYS  45           HN       LYS  45  72.605  -0.657  -2.975
  364    HA   LYS  45           HA       LYS  45  70.278  -0.830  -1.453
  365   1HB   LYS  45           HB2      LYS  45  72.481  -0.930  -0.461
  366   2HB   LYS  45           HB1      LYS  45  72.838   0.726  -0.970
  367   1HG   LYS  45           HG2      LYS  45  71.026   1.570   0.479
  368   2HG   LYS  45           HG1      LYS  45  70.644  -0.079   0.975
  369   1HD   LYS  45           HD2      LYS  45  73.451   0.944   1.306
  370   2HD   LYS  45           HD1      LYS  45  72.219   1.397   2.485
  371   1HE   LYS  45           HE2      LYS  45  72.487  -0.616   3.488
  372   2HE   LYS  45           HE1      LYS  45  71.950  -1.409   1.994
  373   1HZ   LYS  45           HZ2      LYS  45  74.332  -0.787   1.201
  374   2HZ   LYS  45           HZ1      LYS  45  74.681  -0.747   2.863
  375   3HZ   LYS  45           HZ3      LYS  45  74.099  -2.174   2.155
  376    H    PHE  46           HN       PHE  46  71.597   1.985  -3.123
  377    HA   PHE  46           HA       PHE  46  69.950   3.976  -1.860
  378   1HB   PHE  46           HB2      PHE  46  71.088   3.928  -4.671
  379   2HB   PHE  46           HB1      PHE  46  70.673   5.354  -3.727
  380    HD1  PHE  46           HD2      PHE  46  71.811   3.465  -1.203
  381    HD2  PHE  46           HD1      PHE  46  73.346   5.230  -4.808
  382    HE1  PHE  46           HE2      PHE  46  74.090   3.490  -0.222
  383    HE2  PHE  46           HE1      PHE  46  75.622   5.255  -3.824
  384    HZ   PHE  46           HZ       PHE  46  75.993   4.384  -1.533
  385    H    LYS  47           HN       LYS  47  69.525   2.113  -4.927
  386    HA   LYS  47           HA       LYS  47  66.798   3.254  -5.149
  387   1HB   LYS  47           HB2      LYS  47  67.047   2.692  -7.355
  388   2HB   LYS  47           HB1      LYS  47  68.739   2.445  -6.941
  389   1HG   LYS  47           HG2      LYS  47  66.669   0.246  -6.721
  390   2HG   LYS  47           HG1      LYS  47  67.618   0.528  -8.180
  391   1HD   LYS  47           HD2      LYS  47  69.520   0.557  -6.161
  392   2HD   LYS  47           HD1      LYS  47  68.419  -0.730  -5.671
  393   1HE   LYS  47           HE2      LYS  47  70.091  -1.728  -7.125
  394   2HE   LYS  47           HE1      LYS  47  68.581  -1.635  -8.050
  395   1HZ   LYS  47           HZ2      LYS  47  70.522   0.594  -8.047
  396   2HZ   LYS  47           HZ1      LYS  47  70.680  -0.699  -9.137
  397   3HZ   LYS  47           HZ3      LYS  47  69.287   0.268  -9.166
  398    H    GLU  48           HN       GLU  48  68.415   0.345  -4.082
  399    HA   GLU  48           HA       GLU  48  66.362  -1.582  -4.044
  400   1HB   GLU  48           HB2      GLU  48  68.582  -0.753  -2.169
  401   2HB   GLU  48           HB1      GLU  48  67.509  -2.076  -1.724
  402   1HG   GLU  48           HG2      GLU  48  68.951  -1.981  -4.376
  403   2HG   GLU  48           HG1      GLU  48  69.654  -2.735  -2.944
  404    H    ILE  49           HN       ILE  49  67.009   1.233  -2.130
  405    HA   ILE  49           HA       ILE  49  64.785   0.936  -0.259
  406    HB   ILE  49           HB       ILE  49  66.580   3.216  -1.080
  407   1HG1  ILE  49          HG12      ILE  49  66.732   1.692   1.501
  408   2HG1  ILE  49          HG11      ILE  49  67.481   1.031   0.047
  409   1HG2  ILE  49          HG23      ILE  49  64.467   2.943   1.012
  410   2HG2  ILE  49          HG22      ILE  49  65.845   4.008   1.292
  411   3HG2  ILE  49          HG21      ILE  49  64.777   4.285  -0.084
  412   1HD1  ILE  49          HD12      ILE  49  68.490   3.470  -0.151
  413   2HD1  ILE  49          HD11      ILE  49  68.186   3.504   1.585
  414   3HD1  ILE  49          HD13      ILE  49  69.247   2.273   0.901
  415    H    LYS  50           HN       LYS  50  65.566   3.031  -3.010
  416    HA   LYS  50           HA       LYS  50  63.077   4.425  -3.156
  417   1HB   LYS  50           HB2      LYS  50  65.277   4.951  -4.292
  418   2HB   LYS  50           HB1      LYS  50  64.953   3.630  -5.413
  419   1HG   LYS  50           HG2      LYS  50  63.106   4.727  -6.370
  420   2HG   LYS  50           HG1      LYS  50  62.917   5.811  -4.992
  421   1HD   LYS  50           HD2      LYS  50  64.610   7.216  -5.685
  422   2HD   LYS  50           HD1      LYS  50  65.494   5.922  -6.496
  423   1HE   LYS  50           HE2      LYS  50  63.709   5.868  -8.261
  424   2HE   LYS  50           HE1      LYS  50  62.962   7.280  -7.486
  425   1HZ   LYS  50           HZ2      LYS  50  65.547   8.000  -7.588
  426   2HZ   LYS  50           HZ1      LYS  50  65.407   7.106  -9.027
  427   3HZ   LYS  50           HZ3      LYS  50  64.392   8.437  -8.756
  428    H    GLU  51           HN       GLU  51  63.896   1.167  -3.819
  429    HA   GLU  51           HA       GLU  51  61.787   0.636  -5.794
  430   1HB   GLU  51           HB2      GLU  51  64.092  -0.477  -5.458
  431   2HB   GLU  51           HB1      GLU  51  63.353  -1.300  -4.085
  432   1HG   GLU  51           HG2      GLU  51  63.064  -2.805  -5.899
  433   2HG   GLU  51           HG1      GLU  51  61.499  -2.007  -5.735
  434    H    ALA  52           HN       ALA  52  62.411   0.064  -2.341
  435    HA   ALA  52           HA       ALA  52  60.325  -1.499  -1.457
  436   1HB   ALA  52           HB2      ALA  52  62.176   0.000  -0.300
  437   2HB   ALA  52           HB1      ALA  52  60.848   1.148  -0.135
  438   3HB   ALA  52           HB3      ALA  52  60.726  -0.453   0.595
  439    H    TYR  53           HN       TYR  53  60.107   1.891  -2.519
  440    HA   TYR  53           HA       TYR  53  57.395   2.355  -1.764
  441   1HB   TYR  53           HB2      TYR  53  59.024   3.478  -4.063
  442   2HB   TYR  53           HB1      TYR  53  57.597   4.231  -3.342
  443    HD1  TYR  53           HD1      TYR  53  57.640   4.919  -0.933
  444    HD2  TYR  53           HD2      TYR  53  61.140   3.621  -3.015
  445    HE1  TYR  53           HE1      TYR  53  59.050   5.867   0.851
  446    HE2  TYR  53           HE2      TYR  53  62.569   4.568  -1.250
  447    HH   TYR  53           HH       TYR  53  62.425   6.294   0.506
  448    H    GLU  54           HN       GLU  54  58.838   0.871  -4.640
  449    HA   GLU  54           HA       GLU  54  56.607   0.759  -6.355
  450   1HB   GLU  54           HB2      GLU  54  58.419  -1.596  -5.747
  451   2HB   GLU  54           HB1      GLU  54  57.680  -1.174  -7.293
  452   1HG   GLU  54           HG2      GLU  54  59.176   1.072  -6.431
  453   2HG   GLU  54           HG1      GLU  54  60.204  -0.348  -6.245
  454    H    VAL  55           HN       VAL  55  57.162  -0.697  -3.240
  455    HA   VAL  55           HA       VAL  55  54.650  -2.197  -3.611
  456    HB   VAL  55           HB       VAL  55  56.172  -3.879  -3.200
  457   1HG1  VAL  55          HG11      VAL  55  58.056  -2.219  -2.942
  458   2HG1  VAL  55          HG13      VAL  55  57.707  -2.244  -1.216
  459   3HG1  VAL  55          HG12      VAL  55  58.195  -3.718  -2.035
  460   1HG2  VAL  55          HG23      VAL  55  54.808  -3.065  -0.772
  461   2HG2  VAL  55          HG22      VAL  55  55.165  -4.678  -1.358
  462   3HG2  VAL  55          HG21      VAL  55  56.357  -3.807  -0.398
  463    H    LEU  56           HN       LEU  56  56.338  -1.343  -0.583
  464    HA   LEU  56           HA       LEU  56  54.242  -0.990   1.094
  465   1HB   LEU  56           HB2      LEU  56  55.628   0.636   2.294
  466   2HB   LEU  56           HB1      LEU  56  56.628  -0.660   1.628
  467    HG   LEU  56           HG       LEU  56  56.533   1.198  -0.429
  468   1HD1  LEU  56          HD11      LEU  56  56.713   2.572   2.266
  469   2HD1  LEU  56          HD13      LEU  56  57.235   3.310   0.752
  470   3HD1  LEU  56          HD12      LEU  56  55.542   2.886   0.987
  471   1HD2  LEU  56          HD22      LEU  56  58.464  -0.152   0.429
  472   2HD2  LEU  56          HD21      LEU  56  58.884   1.535   0.129
  473   3HD2  LEU  56          HD23      LEU  56  58.603   0.972   1.775
  474    H    THR  57           HN       THR  57  54.986   1.291  -1.520
  475    HA   THR  57           HA       THR  57  52.892   3.141  -0.519
  476    HB   THR  57           HB       THR  57  53.700   4.615  -2.217
  477    HG1  THR  57           HG1      THR  57  55.431   3.332  -3.621
  478   1HG2  THR  57          HG22      THR  57  55.875   2.942  -0.979
  479   2HG2  THR  57          HG21      THR  57  56.275   4.293  -2.034
  480   3HG2  THR  57          HG23      THR  57  55.363   4.571  -0.551
  481    H    ASP  58           HN       ASP  58  52.106   0.444  -1.237
  482    HA   ASP  58           HA       ASP  58  50.028   1.055  -3.252
  483   1HB   ASP  58           HB2      ASP  58  52.452  -0.395  -3.768
  484   2HB   ASP  58           HB1      ASP  58  51.099  -1.524  -3.845
  485    H    SER  59           HN       SER  59  48.218   0.456  -2.331
  486    HA   SER  59           HA       SER  59  47.848  -0.862   0.010
  487   1HB   SER  59           HB2      SER  59  46.137   0.267  -1.426
  488   2HB   SER  59           HB1      SER  59  46.114  -1.163  -2.453
  489    HG   SER  59           HG       SER  59  44.484  -1.039  -0.728
  490    H    GLN  60           HN       GLN  60  48.023  -2.465  -3.173
  491    HA   GLN  60           HA       GLN  60  47.622  -5.141  -2.223
  492   1HB   GLN  60           HB2      GLN  60  47.393  -4.867  -4.523
  493   2HB   GLN  60           HB1      GLN  60  48.756  -3.755  -4.626
  494   1HG   GLN  60           HG2      GLN  60  49.239  -5.964  -5.680
  495   2HG   GLN  60           HG1      GLN  60  50.331  -5.597  -4.345
  496   1HE2  GLN  60          HE22      GLN  60  49.500  -8.875  -3.231
  497   2HE2  GLN  60          HE21      GLN  60  50.692  -7.918  -3.972
  498    H    LYS  61           HN       LYS  61  50.683  -3.674  -3.317
  499    HA   LYS  61           HA       LYS  61  52.473  -5.594  -2.228
  500   1HB   LYS  61           HB2      LYS  61  52.438  -3.027  -3.499
  501   2HB   LYS  61           HB1      LYS  61  53.625  -3.047  -2.204
  502   1HG   LYS  61           HG2      LYS  61  54.535  -3.838  -4.416
  503   2HG   LYS  61           HG1      LYS  61  54.699  -5.013  -3.113
  504   1HD   LYS  61           HD2      LYS  61  53.117  -6.431  -4.000
  505   2HD   LYS  61           HD1      LYS  61  52.199  -5.116  -4.737
  506   1HE   LYS  61           HE2      LYS  61  53.203  -6.221  -6.591
  507   2HE   LYS  61           HE1      LYS  61  54.283  -4.844  -6.295
  508   1HZ   LYS  61           HZ1      LYS  61  54.798  -7.193  -4.679
  509   2HZ   LYS  61           HZ3      LYS  61  55.106  -7.394  -6.335
  510   3HZ   LYS  61           HZ2      LYS  61  55.889  -6.159  -5.470
  511    H    ARG  62           HN       ARG  62  51.487  -2.434  -0.792
  512    HA   ARG  62           HA       ARG  62  52.989  -2.704   1.572
  513   1HB   ARG  62           HB2      ARG  62  51.570  -0.984   2.413
  514   2HB   ARG  62           HB1      ARG  62  51.563  -0.753   0.665
  515   1HG   ARG  62           HG2      ARG  62  49.431  -1.816   0.442
  516   2HG   ARG  62           HG1      ARG  62  49.478  -2.407   2.099
  517   1HD   ARG  62           HD2      ARG  62  48.010  -0.374   1.804
  518   2HD   ARG  62           HD1      ARG  62  49.332  -0.116   2.960
  519    HE   ARG  62           HE       ARG  62  49.723   0.620   0.094
  520   1HH1  ARG  62          HH21      ARG  62  51.494   1.063   2.673
  521   2HH1  ARG  62          HH22      ARG  62  51.324   2.780   2.832
  522   1HH2  ARG  62          HH11      ARG  62  48.656   2.987   0.627
  523   2HH2  ARG  62          HH12      ARG  62  49.718   3.870   1.672
  524    H    ALA  63           HN       ALA  63  50.013  -4.189   0.603
  525    HA   ALA  63           HA       ALA  63  49.564  -5.418   3.263
  526   1HB   ALA  63           HB3      ALA  63  47.689  -4.518   1.900
  527   2HB   ALA  63           HB2      ALA  63  48.106  -5.640   0.604
  528   3HB   ALA  63           HB1      ALA  63  47.517  -6.255   2.149
  529    H    ALA  64           HN       ALA  64  50.993  -6.043   0.191
  530    HA   ALA  64           HA       ALA  64  51.000  -8.981   0.509
  531   1HB   ALA  64           HB3      ALA  64  50.759  -7.508  -1.642
  532   2HB   ALA  64           HB2      ALA  64  52.515  -7.370  -1.538
  533   3HB   ALA  64           HB1      ALA  64  51.765  -8.955  -1.720
  534    H    TYR  65           HN       TYR  65  53.470  -6.379   0.221
  535    HA   TYR  65           HA       TYR  65  55.671  -8.097   0.905
  536   1HB   TYR  65           HB2      TYR  65  55.037  -5.232   0.514
  537   2HB   TYR  65           HB1      TYR  65  56.485  -5.570   1.479
  538    HD1  TYR  65           HD2      TYR  65  55.140  -7.794  -1.157
  539    HD2  TYR  65           HD1      TYR  65  58.157  -4.911  -0.143
  540    HE1  TYR  65           HE2      TYR  65  56.395  -8.390  -3.209
  541    HE2  TYR  65           HE1      TYR  65  59.414  -5.508  -2.195
  542    HH   TYR  65           HH       TYR  65  58.533  -6.637  -4.630
  543    H    ASP  66           HN       ASP  66  53.235  -6.562   2.856
  544    HA   ASP  66           HA       ASP  66  54.735  -6.267   5.295
  545   1HB   ASP  66           HB2      ASP  66  52.521  -6.079   6.294
  546   2HB   ASP  66           HB1      ASP  66  52.502  -5.265   4.732
  547    H    GLN  67           HN       GLN  67  53.592  -9.036   3.595
  548    HA   GLN  67           HA       GLN  67  54.262 -10.755   5.958
  549   1HB   GLN  67           HB2      GLN  67  51.882 -10.752   4.105
  550   2HB   GLN  67           HB1      GLN  67  52.365 -12.234   4.931
  551   1HG   GLN  67           HG2      GLN  67  52.289  -9.898   6.706
  552   2HG   GLN  67           HG1      GLN  67  50.722 -10.283   5.997
  553   1HE2  GLN  67          HE22      GLN  67  52.503 -13.283   8.191
  554   2HE2  GLN  67          HE21      GLN  67  53.475 -12.299   7.207
  555    H    TYR  68           HN       TYR  68  55.416  -9.854   3.131
  556    HA   TYR  68           HA       TYR  68  56.771 -10.868   1.482
  557   1HB   TYR  68           HB2      TYR  68  56.739 -12.907   3.723
  558   2HB   TYR  68           HB1      TYR  68  57.790 -13.049   2.310
  559    HD1  TYR  68           HD2      TYR  68  59.316 -11.036   1.758
  560    HD2  TYR  68           HD1      TYR  68  57.387 -11.581   5.557
  561    HE1  TYR  68           HE2      TYR  68  60.944  -9.486   2.806
  562    HE2  TYR  68           HE1      TYR  68  59.016 -10.032   6.606
  563    HH   TYR  68           HH       TYR  68  61.784  -9.292   5.563
  564    H    GLY  69           HN       GLY  69  53.763 -11.401   1.576
  565   1HA   GLY  69           HA2      GLY  69  52.548 -12.487  -0.227
  566   2HA   GLY  69           HA1      GLY  69  53.814 -13.717  -0.293
  567    H    HIS  70           HN       HIS  70  51.126 -14.484  -0.094
  568    HA   HIS  70           HA       HIS  70  50.319 -14.922   2.646
  569   1HB   HIS  70           HB2      HIS  70  48.529 -16.109   1.636
  570   2HB   HIS  70           HB1      HIS  70  48.971 -14.898   0.429
  571    HD1  HIS  70           HD1      HIS  70  49.280 -15.832  -1.859
  572    HD2  HIS  70           HD2      HIS  70  50.080 -18.688   1.071
  573    HE1  HIS  70           HE1      HIS  70  49.827 -17.981  -3.084
  574    H    ALA  71           HN       ALA  71  52.792 -16.288   0.800
  575    HA   ALA  71           HA       ALA  71  52.736 -19.047   1.483
  576   1HB   ALA  71           HB3      ALA  71  55.061 -17.123   1.133
  577   2HB   ALA  71           HB2      ALA  71  55.172 -18.880   1.028
  578   3HB   ALA  71           HB1      ALA  71  54.234 -17.983  -0.167
  579    H    ALA  72           HN       ALA  72  54.061 -16.244   3.252
  580    HA   ALA  72           HA       ALA  72  55.307 -17.640   5.390
  581   1HB   ALA  72           HB3      ALA  72  55.229 -15.124   4.670
  582   2HB   ALA  72           HB2      ALA  72  53.817 -15.041   5.722
  583   3HB   ALA  72           HB1      ALA  72  55.384 -15.506   6.384
  584    H    PHE  73           HN       PHE  73  51.971 -17.329   4.596
  585    HA   PHE  73           HA       PHE  73  51.212 -18.270   7.346
  586   1HB   PHE  73           HB2      PHE  73  50.257 -16.158   5.586
  587   2HB   PHE  73           HB1      PHE  73  48.948 -17.259   6.031
  588    HD1  PHE  73           HD2      PHE  73  51.980 -15.891   7.781
  589    HD2  PHE  73           HD1      PHE  73  47.731 -16.511   7.865
  590    HE1  PHE  73           HE2      PHE  73  51.876 -14.862  10.034
  591    HE2  PHE  73           HE1      PHE  73  47.626 -15.481  10.119
  592    HZ   PHE  73           HZ       PHE  73  49.699 -14.658  11.204
  593    H    GLU  74           HN       GLU  74  51.919 -19.638   4.588
  594    HA   GLU  74           HA       GLU  74  51.143 -21.513   3.377
  595   1HB   GLU  74           HB2      GLU  74  49.776 -21.839   6.068
  596   2HB   GLU  74           HB1      GLU  74  49.951 -23.126   4.872
  597   1HG   GLU  74           HG2      GLU  74  52.525 -22.105   5.105
  598   2HG   GLU  74           HG1      GLU  74  51.917 -22.072   6.760
  599    H    GLN  75           HN       GLN  75  48.142 -21.787   5.061
  600    HA   GLN  75           HA       GLN  75  46.711 -20.861   2.616
  601   1HB   GLN  75           HB2      GLN  75  46.238 -22.775   4.874
  602   2HB   GLN  75           HB1      GLN  75  44.836 -22.099   4.043
  603   1HG   GLN  75           HG2      GLN  75  45.148 -23.488   2.302
  604   2HG   GLN  75           HG1      GLN  75  46.798 -22.901   2.095
  605   1HE2  GLN  75          HE22      GLN  75  48.251 -25.776   3.517
  606   2HE2  GLN  75          HE21      GLN  75  48.483 -24.307   2.699
  607    H    GLY  76           HN       GLY  76  46.858 -20.377   6.133
  608   1HA   GLY  76           HA2      GLY  76  46.408 -17.788   6.499
  609   2HA   GLY  76           HA1      GLY  76  44.798 -18.249   5.946
  610    H    GLY  77           HN       GLY  77  44.245 -17.439   8.201
  611   1HA   GLY  77           HA2      GLY  77  44.862 -19.463  10.302
  612   2HA   GLY  77           HA1      GLY  77  44.259 -17.835  10.612
   
  No H/Q in entry =         612
  Start of MODEL   11
    1   1H    ALA   1           HT2      ALA   1  66.550 -16.144  -1.999
    2   2H    ALA   1           HT1      ALA   1  67.838 -15.768  -0.956
    3   3H    ALA   1           HT3      ALA   1  66.982 -17.219  -0.757
    4    HA   ALA   1           HA       ALA   1  65.222 -16.229   0.274
    5   1HB   ALA   1           HB1      ALA   1  67.802 -15.474   0.992
    6   2HB   ALA   1           HB3      ALA   1  66.917 -13.948   0.984
    7   3HB   ALA   1           HB2      ALA   1  66.362 -15.285   1.993
    8    H    LYS   2           HN       LYS   2  64.035 -14.059   0.715
    9    HA   LYS   2           HA       LYS   2  63.422 -12.814  -1.868
   10   1HB   LYS   2           HB2      LYS   2  62.396 -12.780   0.953
   11   2HB   LYS   2           HB1      LYS   2  61.903 -11.484  -0.138
   12   1HG   LYS   2           HG2      LYS   2  60.249 -12.995  -0.649
   13   2HG   LYS   2           HG1      LYS   2  61.480 -13.572  -1.773
   14   1HD   LYS   2           HD2      LYS   2  62.137 -14.863   0.592
   15   2HD   LYS   2           HD1      LYS   2  60.373 -14.878   0.604
   16   1HE   LYS   2           HE2      LYS   2  60.920 -16.838  -0.610
   17   2HE   LYS   2           HE1      LYS   2  60.617 -15.650  -1.894
   18   1HZ   LYS   2           HZ2      LYS   2  63.296 -15.958  -0.683
   19   2HZ   LYS   2           HZ1      LYS   2  62.807 -16.935  -1.985
   20   3HZ   LYS   2           HZ3      LYS   2  62.881 -15.251  -2.172
   21    H    GLN   3           HN       GLN   3  62.903 -10.198  -1.260
   22    HA   GLN   3           HA       GLN   3  65.630  -9.109  -0.680
   23   1HB   GLN   3           HB2      GLN   3  63.259  -7.922  -2.161
   24   2HB   GLN   3           HB1      GLN   3  64.885  -7.239  -2.087
   25   1HG   GLN   3           HG2      GLN   3  65.254  -9.892  -2.924
   26   2HG   GLN   3           HG1      GLN   3  63.853  -9.319  -3.832
   27   1HE2  GLN   3          HE22      GLN   3  65.898  -6.465  -5.115
   28   2HE2  GLN   3          HE21      GLN   3  64.478  -6.606  -4.198
   29    H    ASP   4           HN       ASP   4  65.086  -6.524  -0.061
   30    HA   ASP   4           HA       ASP   4  63.199  -6.653   2.265
   31   1HB   ASP   4           HB2      ASP   4  65.363  -4.828   2.758
   32   2HB   ASP   4           HB1      ASP   4  64.935  -6.283   3.658
   33    H    TYR   5           HN       TYR   5  62.376  -4.617   2.958
   34    HA   TYR   5           HA       TYR   5  62.688  -2.250   1.269
   35   1HB   TYR   5           HB2      TYR   5  59.874  -2.881   1.247
   36   2HB   TYR   5           HB1      TYR   5  60.954  -2.674  -0.126
   37    HD1  TYR   5           HD1      TYR   5  59.793  -5.189   2.387
   38    HD2  TYR   5           HD2      TYR   5  61.665  -4.511  -1.419
   39    HE1  TYR   5           HE1      TYR   5  59.714  -7.623   1.914
   40    HE2  TYR   5           HE2      TYR   5  61.579  -6.944  -1.895
   41    HH   TYR   5           HH       TYR   5  61.500  -9.101  -0.410
   42    H    TYR   6           HN       TYR   6  60.245  -3.765   3.441
   43    HA   TYR   6           HA       TYR   6  59.726  -1.327   4.880
   44   1HB   TYR   6           HB2      TYR   6  59.321  -4.268   5.401
   45   2HB   TYR   6           HB1      TYR   6  58.804  -3.031   6.555
   46    HD1  TYR   6           HD2      TYR   6  57.245  -1.209   5.812
   47    HD2  TYR   6           HD1      TYR   6  58.086  -4.647   3.375
   48    HE1  TYR   6           HE2      TYR   6  55.244  -0.720   4.429
   49    HE2  TYR   6           HE1      TYR   6  56.086  -4.149   1.988
   50    HH   TYR   6           HH       TYR   6  54.568  -2.525   1.496
   51    H    GLU   7           HN       GLU   7  62.184  -3.748   4.887
   52    HA   GLU   7           HA       GLU   7  63.392  -2.869   7.444
   53   1HB   GLU   7           HB2      GLU   7  63.893  -4.976   5.333
   54   2HB   GLU   7           HB1      GLU   7  65.136  -4.606   6.527
   55   1HG   GLU   7           HG2      GLU   7  63.949  -5.536   8.250
   56   2HG   GLU   7           HG1      GLU   7  62.394  -5.033   7.586
   57    H    ILE   8           HN       ILE   8  63.645  -2.534   3.959
   58    HA   ILE   8           HA       ILE   8  66.199  -1.476   3.553
   59    HB   ILE   8           HB       ILE   8  63.512  -1.222   2.362
   60   1HG1  ILE   8          HG12      ILE   8  66.298  -1.917   1.448
   61   2HG1  ILE   8          HG11      ILE   8  64.889  -2.969   1.542
   62   1HG2  ILE   8          HG23      ILE   8  64.283   1.154   2.435
   63   2HG2  ILE   8          HG22      ILE   8  65.696   0.681   1.501
   64   3HG2  ILE   8          HG21      ILE   8  64.084   0.533   0.802
   65   1HD1  ILE   8          HD12      ILE   8  64.272  -0.752  -0.185
   66   2HD1  ILE   8          HD11      ILE   8  65.794  -1.472  -0.699
   67   3HD1  ILE   8          HD13      ILE   8  64.344  -2.465  -0.583
   68    H    LEU   9           HN       LEU   9  63.232   0.160   4.443
   69    HA   LEU   9           HA       LEU   9  64.536   2.748   5.001
   70   1HB   LEU   9           HB2      LEU   9  61.762   1.553   5.046
   71   2HB   LEU   9           HB1      LEU   9  62.058   3.216   5.540
   72    HG   LEU   9           HG       LEU   9  61.587   3.560   3.335
   73   1HD1  LEU   9          HD12      LEU   9  64.498   2.785   3.191
   74   2HD1  LEU   9          HD11      LEU   9  63.642   3.661   1.926
   75   3HD1  LEU   9          HD13      LEU   9  63.848   4.389   3.516
   76   1HD2  LEU   9          HD22      LEU   9  62.539   0.759   2.914
   77   2HD2  LEU   9          HD21      LEU   9  60.961   1.458   2.568
   78   3HD2  LEU   9          HD23      LEU   9  62.339   1.839   1.537
   79    H    GLY  10           HN       GLY  10  63.993  -0.140   6.687
   80   1HA   GLY  10           HA2      GLY  10  64.397  -0.628   8.961
   81   2HA   GLY  10           HA1      GLY  10  64.694   1.091   9.235
   82    H    VAL  11           HN       VAL  11  61.802   0.491   7.534
   83    HA   VAL  11           HA       VAL  11  60.241   1.321   9.918
   84    HB   VAL  11           HB       VAL  11  58.669   0.710   7.567
   85   1HG1  VAL  11          HG12      VAL  11  59.370   3.204   9.098
   86   2HG1  VAL  11          HG11      VAL  11  58.240   3.196   7.743
   87   3HG1  VAL  11          HG13      VAL  11  57.887   2.251   9.189
   88   1HG2  VAL  11          HG22      VAL  11  61.218   2.192   7.115
   89   2HG2  VAL  11          HG21      VAL  11  60.333   1.106   6.043
   90   3HG2  VAL  11          HG23      VAL  11  59.758   2.750   6.304
   91    H    SER  12           HN       SER  12  57.875   0.169   9.745
   92    HA   SER  12           HA       SER  12  58.372  -2.649  10.412
   93   1HB   SER  12           HB2      SER  12  56.691  -0.631  11.290
   94   2HB   SER  12           HB1      SER  12  55.614  -1.663  10.353
   95    HG   SER  12           HG       SER  12  56.015  -2.181  12.680
   96    H    LYS  13           HN       LYS  13  57.477  -4.424   9.263
   97    HA   LYS  13           HA       LYS  13  57.308  -4.288   6.473
   98   1HB   LYS  13           HB2      LYS  13  56.244  -6.460   6.651
   99   2HB   LYS  13           HB1      LYS  13  57.512  -6.313   7.867
  100   1HG   LYS  13           HG2      LYS  13  55.064  -5.287   8.964
  101   2HG   LYS  13           HG1      LYS  13  54.755  -6.889   8.294
  102   1HD   LYS  13           HD2      LYS  13  56.984  -7.534   9.519
  103   2HD   LYS  13           HD1      LYS  13  56.659  -6.089  10.478
  104   1HE   LYS  13           HE2      LYS  13  55.431  -7.570  11.748
  105   2HE   LYS  13           HE1      LYS  13  54.194  -7.260  10.515
  106   1HZ   LYS  13           HZ3      LYS  13  55.844  -9.084   9.344
  107   2HZ   LYS  13           HZ2      LYS  13  55.768  -9.621  10.953
  108   3HZ   LYS  13           HZ1      LYS  13  54.341  -9.429  10.053
  109    H    THR  14           HN       THR  14  55.036  -3.321   8.864
  110    HA   THR  14           HA       THR  14  52.950  -2.863   6.768
  111    HB   THR  14           HB       THR  14  51.364  -3.182   8.506
  112    HG1  THR  14           HG1      THR  14  52.403  -3.358  10.748
  113   1HG2  THR  14          HG21      THR  14  53.164  -5.144   7.972
  114   2HG2  THR  14          HG23      THR  14  53.368  -5.003   9.717
  115   3HG2  THR  14          HG22      THR  14  51.779  -5.365   9.041
  116    H    ALA  15           HN       ALA  15  55.424  -1.255   7.655
  117    HA   ALA  15           HA       ALA  15  54.939   1.017   9.157
  118   1HB   ALA  15           HB2      ALA  15  57.012   0.233   8.108
  119   2HB   ALA  15           HB1      ALA  15  56.387   0.704   6.529
  120   3HB   ALA  15           HB3      ALA  15  56.706   1.928   7.751
  121    H    GLU  16           HN       GLU  16  55.503   2.870   6.825
  122    HA   GLU  16           HA       GLU  16  52.924   3.198   5.456
  123   1HB   GLU  16           HB2      GLU  16  53.877   4.765   7.822
  124   2HB   GLU  16           HB1      GLU  16  53.048   5.652   6.539
  125   1HG   GLU  16           HG2      GLU  16  51.059   4.870   7.230
  126   2HG   GLU  16           HG1      GLU  16  51.629   3.207   7.092
  127    H    GLU  17           HN       GLU  17  53.478   3.916   3.452
  128    HA   GLU  17           HA       GLU  17  55.914   4.391   2.346
  129   1HB   GLU  17           HB2      GLU  17  54.735   5.663   0.651
  130   2HB   GLU  17           HB1      GLU  17  53.650   4.411   1.257
  131   1HG   GLU  17           HG2      GLU  17  52.707   6.118   2.858
  132   2HG   GLU  17           HG1      GLU  17  53.662   7.342   2.019
  133    H    ARG  18           HN       ARG  18  54.271   6.674   4.493
  134    HA   ARG  18           HA       ARG  18  55.953   8.939   3.779
  135   1HB   ARG  18           HB2      ARG  18  54.859   9.904   5.824
  136   2HB   ARG  18           HB1      ARG  18  53.711   9.216   4.675
  137   1HG   ARG  18           HG2      ARG  18  52.915   7.959   6.368
  138   2HG   ARG  18           HG1      ARG  18  54.438   7.070   6.321
  139   1HD   ARG  18           HD2      ARG  18  55.190   8.042   8.243
  140   2HD   ARG  18           HD1      ARG  18  54.596   9.644   7.762
  141    HE   ARG  18           HE       ARG  18  52.479   7.718   8.409
  142   1HH1  ARG  18          HH11      ARG  18  51.466  10.207   8.889
  143   2HH1  ARG  18          HH12      ARG  18  51.876  10.631  10.518
  144   1HH2  ARG  18          HH21      ARG  18  54.376   8.243  10.790
  145   2HH2  ARG  18          HH22      ARG  18  53.521   9.516  11.596
  146    H    GLU  19           HN       GLU  19  56.326   6.256   5.934
  147    HA   GLU  19           HA       GLU  19  58.592   7.591   7.317
  148   1HB   GLU  19           HB2      GLU  19  58.311   5.056   8.406
  149   2HB   GLU  19           HB1      GLU  19  57.611   6.522   9.074
  150   1HG   GLU  19           HG2      GLU  19  55.577   6.078   7.620
  151   2HG   GLU  19           HG1      GLU  19  56.284   4.505   7.253
  152    H    ILE  20           HN       ILE  20  57.777   5.401   4.816
  153    HA   ILE  20           HA       ILE  20  60.377   3.990   4.832
  154    HB   ILE  20           HB       ILE  20  57.749   3.854   3.457
  155   1HG1  ILE  20          HG12      ILE  20  58.687   1.376   3.353
  156   2HG1  ILE  20          HG11      ILE  20  59.867   2.006   4.495
  157   1HG2  ILE  20          HG21      ILE  20  60.337   3.408   1.976
  158   2HG2  ILE  20          HG23      ILE  20  58.888   2.501   1.554
  159   3HG2  ILE  20          HG22      ILE  20  58.896   4.260   1.429
  160   1HD1  ILE  20          HD13      ILE  20  57.894   2.903   5.845
  161   2HD1  ILE  20          HD12      ILE  20  56.859   1.930   4.800
  162   3HD1  ILE  20          HD11      ILE  20  58.066   1.148   5.818
  163    H    ARG  21           HN       ARG  21  58.587   6.206   2.659
  164    HA   ARG  21           HA       ARG  21  60.726   6.892   0.926
  165   1HB   ARG  21           HB2      ARG  21  59.321   8.830   0.446
  166   2HB   ARG  21           HB1      ARG  21  58.256   7.457   0.753
  167   1HG   ARG  21           HG2      ARG  21  57.288   9.108   2.092
  168   2HG   ARG  21           HG1      ARG  21  58.351   8.293   3.240
  169   1HD   ARG  21           HD2      ARG  21  59.660  10.138   3.492
  170   2HD   ARG  21           HD1      ARG  21  59.700  10.437   1.742
  171    HE   ARG  21           HE       ARG  21  57.977  11.800   3.536
  172   1HH1  ARG  21          HH11      ARG  21  58.412  11.015   0.302
  173   2HH1  ARG  21          HH12      ARG  21  56.793  11.384  -0.188
  174   1HH2  ARG  21          HH21      ARG  21  55.635  11.840   3.050
  175   2HH2  ARG  21          HH22      ARG  21  55.218  11.843   1.369
  176    H    LYS  22           HN       LYS  22  59.967   7.716   4.192
  177    HA   LYS  22           HA       LYS  22  61.694  10.040   4.454
  178   1HB   LYS  22           HB2      LYS  22  59.762   9.835   5.851
  179   2HB   LYS  22           HB1      LYS  22  60.163   8.173   6.283
  180   1HG   LYS  22           HG2      LYS  22  60.674   9.993   8.040
  181   2HG   LYS  22           HG1      LYS  22  61.959   8.844   7.679
  182   1HD   LYS  22           HD2      LYS  22  63.003  10.987   7.672
  183   2HD   LYS  22           HD1      LYS  22  62.817  10.561   5.975
  184   1HE   LYS  22           HE2      LYS  22  60.816  11.950   5.790
  185   2HE   LYS  22           HE1      LYS  22  60.870  12.302   7.528
  186   1HZ   LYS  22           HZ2      LYS  22  63.365  12.887   6.843
  187   2HZ   LYS  22           HZ1      LYS  22  62.582  13.288   5.389
  188   3HZ   LYS  22           HZ3      LYS  22  62.116  14.039   6.836
  189    H    ALA  23           HN       ALA  23  61.873   6.677   5.691
  190    HA   ALA  23           HA       ALA  23  64.318   6.722   7.014
  191   1HB   ALA  23           HB2      ALA  23  63.092   4.643   5.188
  192   2HB   ALA  23           HB1      ALA  23  64.420   4.308   6.296
  193   3HB   ALA  23           HB3      ALA  23  62.845   4.792   6.928
  194    H    TYR  24           HN       TYR  24  63.732   6.515   3.530
  195    HA   TYR  24           HA       TYR  24  66.557   6.219   2.841
  196   1HB   TYR  24           HB2      TYR  24  64.565   5.370   1.535
  197   2HB   TYR  24           HB1      TYR  24  64.142   7.044   1.189
  198    HD1  TYR  24           HD1      TYR  24  67.615   5.725   1.404
  199    HD2  TYR  24           HD2      TYR  24  64.451   7.038  -1.191
  200    HE1  TYR  24           HE1      TYR  24  69.195   5.760  -0.506
  201    HE2  TYR  24           HE2      TYR  24  66.032   7.072  -3.099
  202    HH   TYR  24           HH       TYR  24  68.520   7.295  -3.420
  203    H    LYS  25           HN       LYS  25  64.069   8.723   2.754
  204    HA   LYS  25           HA       LYS  25  65.501  10.906   1.720
  205   1HB   LYS  25           HB2      LYS  25  63.125  10.263   3.223
  206   2HB   LYS  25           HB1      LYS  25  63.838  11.744   3.862
  207   1HG   LYS  25           HG2      LYS  25  63.141  12.915   2.063
  208   2HG   LYS  25           HG1      LYS  25  63.916  11.767   0.969
  209   1HD   LYS  25           HD2      LYS  25  62.007  10.424   0.810
  210   2HD   LYS  25           HD1      LYS  25  61.337  11.034   2.323
  211   1HE   LYS  25           HE2      LYS  25  61.709  12.847  -0.075
  212   2HE   LYS  25           HE1      LYS  25  60.231  11.893   0.155
  213   1HZ   LYS  25           HZ2      LYS  25  60.594  12.859   2.610
  214   2HZ   LYS  25           HZ1      LYS  25  61.235  14.142   1.697
  215   3HZ   LYS  25           HZ3      LYS  25  59.637  13.633   1.439
  216    H    ARG  26           HN       ARG  26  65.664   9.348   4.864
  217    HA   ARG  26           HA       ARG  26  67.171  11.505   6.151
  218   1HB   ARG  26           HB2      ARG  26  66.462   8.648   6.877
  219   2HB   ARG  26           HB1      ARG  26  67.288   9.758   7.973
  220   1HG   ARG  26           HG2      ARG  26  64.967  11.043   6.822
  221   2HG   ARG  26           HG1      ARG  26  64.505   9.519   7.580
  222   1HD   ARG  26           HD2      ARG  26  66.393  11.287   9.087
  223   2HD   ARG  26           HD1      ARG  26  64.683  11.758   9.026
  224    HE   ARG  26           HE       ARG  26  65.716   9.194  10.140
  225   1HH1  ARG  26          HH21      ARG  26  63.444   7.992   9.629
  226   2HH1  ARG  26          HH22      ARG  26  62.179   8.695  10.581
  227   1HH2  ARG  26          HH11      ARG  26  63.965  11.580  11.304
  228   2HH2  ARG  26          HH12      ARG  26  62.475  10.726  11.533
  229    H    LEU  27           HN       LEU  27  67.917   8.171   5.044
  230    HA   LEU  27           HA       LEU  27  70.775   8.489   5.579
  231   1HB   LEU  27           HB2      LEU  27  70.875   6.215   4.905
  232   2HB   LEU  27           HB1      LEU  27  69.283   6.373   5.645
  233    HG   LEU  27           HG       LEU  27  68.477   6.906   3.227
  234   1HD1  LEU  27          HD11      LEU  27  71.268   6.406   2.809
  235   2HD1  LEU  27          HD13      LEU  27  70.349   5.122   2.021
  236   3HD1  LEU  27          HD12      LEU  27  70.039   6.809   1.608
  237   1HD2  LEU  27          HD23      LEU  27  69.351   4.179   4.203
  238   2HD2  LEU  27          HD22      LEU  27  67.753   4.911   4.342
  239   3HD2  LEU  27          HD21      LEU  27  68.356   4.405   2.765
  240    H    ALA  28           HN       ALA  28  68.608   8.628   2.824
  241    HA   ALA  28           HA       ALA  28  70.611   8.778   0.774
  242   1HB   ALA  28           HB2      ALA  28  68.086   8.206   0.749
  243   2HB   ALA  28           HB1      ALA  28  67.829   9.951   0.739
  244   3HB   ALA  28           HB3      ALA  28  68.701   9.181  -0.587
  245    H    MET  29           HN       MET  29  68.713  11.273   2.523
  246    HA   MET  29           HA       MET  29  69.935  13.501   1.168
  247   1HB   MET  29           HB2      MET  29  68.946  14.794   2.956
  248   2HB   MET  29           HB1      MET  29  67.841  13.455   2.641
  249   1HG   MET  29           HG2      MET  29  68.944  12.186   4.496
  250   2HG   MET  29           HG1      MET  29  69.892  13.627   4.864
  251   1HE   MET  29           HE1      MET  29  69.603  14.441   6.599
  252   2HE   MET  29           HE3      MET  29  68.431  15.763   6.702
  253   3HE   MET  29           HE2      MET  29  68.232  14.322   7.698
  254    H    LYS  30           HN       LYS  30  70.912  11.318   3.674
  255    HA   LYS  30           HA       LYS  30  73.237  12.940   4.518
  256   1HB   LYS  30           HB2      LYS  30  71.670  10.645   5.414
  257   2HB   LYS  30           HB1      LYS  30  73.401  10.325   5.523
  258   1HG   LYS  30           HG2      LYS  30  73.581  11.658   7.325
  259   2HG   LYS  30           HG1      LYS  30  72.854  13.002   6.444
  260   1HD   LYS  30           HD2      LYS  30  70.684  12.459   7.141
  261   2HD   LYS  30           HD1      LYS  30  71.117  10.788   7.505
  262   1HE   LYS  30           HE2      LYS  30  72.212  11.385   9.521
  263   2HE   LYS  30           HE1      LYS  30  72.329  13.092   9.049
  264   1HZ   LYS  30           HZ3      LYS  30  69.709  12.698   8.836
  265   2HZ   LYS  30           HZ2      LYS  30  70.053  11.614  10.097
  266   3HZ   LYS  30           HZ1      LYS  30  70.445  13.259  10.257
  267    H    TYR  31           HN       TYR  31  72.384  10.478   2.230
  268    HA   TYR  31           HA       TYR  31  75.253   9.836   1.702
  269   1HB   TYR  31           HB2      TYR  31  72.634   8.477   1.455
  270   2HB   TYR  31           HB1      TYR  31  73.760   8.176   0.128
  271    HD1  TYR  31           HD1      TYR  31  74.433   8.854   3.734
  272    HD2  TYR  31           HD2      TYR  31  74.635   6.010   0.522
  273    HE1  TYR  31           HE1      TYR  31  75.720   7.315   5.184
  274    HE2  TYR  31           HE2      TYR  31  75.925   4.467   1.974
  275    HH   TYR  31           HH       TYR  31  76.523   4.042   4.133
  276    H    HIS  32           HN       HIS  32  73.151  12.057   0.827
  277    HA   HIS  32           HA       HIS  32  72.898  12.161  -1.967
  278   1HB   HIS  32           HB2      HIS  32  72.457  14.500  -1.410
  279   2HB   HIS  32           HB1      HIS  32  71.877  13.485  -0.105
  280    HD1  HIS  32           HD1      HIS  32  73.249  16.536  -0.054
  281    HD2  HIS  32           HD2      HIS  32  74.741  12.948   1.452
  282    HE1  HIS  32           HE1      HIS  32  74.928  17.160   1.737
  283    HA   PRO  33           HA       PRO  33  76.742  13.511  -3.585
  284   1HB   PRO  33           HB2      PRO  33  77.116  16.226  -3.712
  285   2HB   PRO  33           HB1      PRO  33  76.069  15.318  -4.821
  286   1HG   PRO  33           HG2      PRO  33  75.345  16.943  -2.448
  287   2HG   PRO  33           HG1      PRO  33  74.504  16.761  -3.993
  288   1HD   PRO  33           HD2      PRO  33  73.767  15.546  -1.703
  289   2HD   PRO  33           HD1      PRO  33  73.403  14.893  -3.314
  290    H    ASP  34           HN       ASP  34  76.887  12.852  -0.937
  291    HA   ASP  34           HA       ASP  34  78.937  14.655   0.273
  292   1HB   ASP  34           HB2      ASP  34  77.765  14.127   2.165
  293   2HB   ASP  34           HB1      ASP  34  76.704  13.092   1.215
  294    H    ARG  35           HN       ARG  35  78.184  11.339  -0.682
  295    HA   ARG  35           HA       ARG  35  81.071  10.808  -1.158
  296   1HB   ARG  35           HB2      ARG  35  80.743   8.617  -0.006
  297   2HB   ARG  35           HB1      ARG  35  80.472   9.979   1.083
  298   1HG   ARG  35           HG2      ARG  35  78.612   8.591   1.489
  299   2HG   ARG  35           HG1      ARG  35  77.985   9.784   0.350
  300   1HD   ARG  35           HD2      ARG  35  77.419   8.089  -1.026
  301   2HD   ARG  35           HD1      ARG  35  79.143   7.710  -1.205
  302    HE   ARG  35           HE       ARG  35  77.349   6.105   0.277
  303   1HH1  ARG  35          HH21      ARG  35  78.113   6.751   2.805
  304   2HH1  ARG  35          HH22      ARG  35  79.704   6.114   3.058
  305   1HH2  ARG  35          HH11      ARG  35  80.366   5.711  -0.323
  306   2HH2  ARG  35          HH12      ARG  35  80.979   5.525   1.287
  307    H    ASN  36           HN       ASN  36  77.641  10.094  -1.781
  308    HA   ASN  36           HA       ASN  36  77.674   7.913  -3.476
  309   1HB   ASN  36           HB2      ASN  36  76.095  10.256  -2.973
  310   2HB   ASN  36           HB1      ASN  36  76.134   9.967  -4.708
  311   1HD2  ASN  36          HD22      ASN  36  73.814   7.629  -2.447
  312   2HD2  ASN  36          HD21      ASN  36  74.483   9.091  -1.905
  313    H    GLN  37           HN       GLN  37  78.867  11.164  -4.144
  314    HA   GLN  37           HA       GLN  37  79.199  10.909  -6.961
  315   1HB   GLN  37           HB2      GLN  37  80.880  12.475  -4.982
  316   2HB   GLN  37           HB1      GLN  37  80.602  12.871  -6.678
  317   1HG   GLN  37           HG2      GLN  37  78.097  12.518  -5.235
  318   2HG   GLN  37           HG1      GLN  37  79.096  13.776  -4.506
  319   1HE2  GLN  37          HE22      GLN  37  78.189  16.069  -7.003
  320   2HE2  GLN  37          HE21      GLN  37  78.600  15.782  -5.381
  321    H    GLY  38           HN       GLY  38  80.772   9.306  -4.407
  322   1HA   GLY  38           HA2      GLY  38  82.948   8.454  -6.272
  323   2HA   GLY  38           HA1      GLY  38  83.295   8.805  -4.577
  324    H    ASP  39           HN       ASP  39  80.223   7.405  -5.224
  325    HA   ASP  39           HA       ASP  39  81.251   4.731  -4.320
  326   1HB   ASP  39           HB2      ASP  39  80.083   5.977  -2.551
  327   2HB   ASP  39           HB1      ASP  39  78.693   6.205  -3.613
  328    H    LYS  40           HN       LYS  40  81.071   3.438  -6.123
  329    HA   LYS  40           HA       LYS  40  78.820   3.776  -8.013
  330   1HB   LYS  40           HB2      LYS  40  81.218   1.909  -7.909
  331   2HB   LYS  40           HB1      LYS  40  80.127   2.081  -9.284
  332   1HG   LYS  40           HG2      LYS  40  81.071   4.679  -8.444
  333   2HG   LYS  40           HG1      LYS  40  82.440   3.607  -8.745
  334   1HD   LYS  40           HD2      LYS  40  80.863   2.994 -10.874
  335   2HD   LYS  40           HD1      LYS  40  80.437   4.690 -10.641
  336   1HE   LYS  40           HE2      LYS  40  82.359   4.523 -12.172
  337   2HE   LYS  40           HE1      LYS  40  82.890   5.251 -10.643
  338   1HZ   LYS  40           HZ2      LYS  40  82.883   2.348 -10.733
  339   2HZ   LYS  40           HZ1      LYS  40  84.050   3.102 -11.712
  340   3HZ   LYS  40           HZ3      LYS  40  84.017   3.410 -10.044
  341    H    GLU  41           HN       GLU  41  79.336   0.683  -8.304
  342    HA   GLU  41           HA       GLU  41  77.557  -0.971  -7.795
  343   1HB   GLU  41           HB2      GLU  41  78.897  -1.933  -5.647
  344   2HB   GLU  41           HB1      GLU  41  79.520  -2.041  -7.292
  345   1HG   GLU  41           HG2      GLU  41  80.996  -0.245  -6.993
  346   2HG   GLU  41           HG1      GLU  41  80.080   0.417  -5.645
  347    H    ALA  42           HN       ALA  42  78.620   0.334  -4.624
  348    HA   ALA  42           HA       ALA  42  76.401  -0.375  -3.086
  349   1HB   ALA  42           HB1      ALA  42  78.520   1.670  -3.091
  350   2HB   ALA  42           HB3      ALA  42  77.089   2.149  -2.178
  351   3HB   ALA  42           HB2      ALA  42  77.942   0.662  -1.764
  352    H    GLU  43           HN       GLU  43  76.638   2.062  -5.585
  353    HA   GLU  43           HA       GLU  43  74.620   3.898  -5.113
  354   1HB   GLU  43           HB2      GLU  43  75.870   3.721  -7.218
  355   2HB   GLU  43           HB1      GLU  43  75.047   2.204  -7.587
  356   1HG   GLU  43           HG2      GLU  43  73.330   3.322  -8.493
  357   2HG   GLU  43           HG1      GLU  43  73.065   4.171  -6.971
  358    H    ALA  44           HN       ALA  44  74.196   0.571  -6.264
  359    HA   ALA  44           HA       ALA  44  71.446   0.695  -6.659
  360   1HB   ALA  44           HB1      ALA  44  73.208  -1.124  -7.205
  361   2HB   ALA  44           HB3      ALA  44  72.891  -1.731  -5.580
  362   3HB   ALA  44           HB2      ALA  44  71.592  -1.682  -6.772
  363    H    LYS  45           HN       LYS  45  72.997  -0.815  -3.791
  364    HA   LYS  45           HA       LYS  45  70.732  -1.117  -2.211
  365   1HB   LYS  45           HB2      LYS  45  72.944  -1.834  -1.508
  366   2HB   LYS  45           HB1      LYS  45  73.499  -0.154  -1.418
  367   1HG   LYS  45           HG2      LYS  45  71.908   0.325   0.364
  368   2HG   LYS  45           HG1      LYS  45  71.197  -1.282   0.210
  369   1HD   LYS  45           HD2      LYS  45  72.650  -1.856   1.866
  370   2HD   LYS  45           HD1      LYS  45  73.850  -1.892   0.576
  371   1HE   LYS  45           HE2      LYS  45  74.930  -0.095   1.437
  372   2HE   LYS  45           HE1      LYS  45  73.417   0.825   1.561
  373   1HZ   LYS  45           HZ3      LYS  45  72.851  -0.585   3.507
  374   2HZ   LYS  45           HZ2      LYS  45  74.416  -1.242   3.446
  375   3HZ   LYS  45           HZ1      LYS  45  74.198   0.412   3.765
  376    H    PHE  46           HN       PHE  46  72.316   1.884  -3.111
  377    HA   PHE  46           HA       PHE  46  70.978   3.506  -1.093
  378   1HB   PHE  46           HB2      PHE  46  72.414   4.156  -3.688
  379   2HB   PHE  46           HB1      PHE  46  71.889   5.365  -2.522
  380    HD1  PHE  46           HD2      PHE  46  72.654   2.557  -0.615
  381    HD2  PHE  46           HD1      PHE  46  74.592   5.641  -2.897
  382    HE1  PHE  46           HE2      PHE  46  74.735   2.213   0.687
  383    HE2  PHE  46           HE1      PHE  46  76.672   5.295  -1.592
  384    HZ   PHE  46           HZ       PHE  46  76.743   3.582   0.198
  385    H    LYS  47           HN       LYS  47  70.443   2.888  -4.599
  386    HA   LYS  47           HA       LYS  47  67.888   4.393  -4.394
  387   1HB   LYS  47           HB2      LYS  47  67.770   3.798  -6.873
  388   2HB   LYS  47           HB1      LYS  47  69.155   4.777  -6.410
  389   1HG   LYS  47           HG2      LYS  47  69.890   3.020  -7.916
  390   2HG   LYS  47           HG1      LYS  47  70.539   2.690  -6.318
  391   1HD   LYS  47           HD2      LYS  47  69.375   0.765  -6.133
  392   2HD   LYS  47           HD1      LYS  47  67.899   1.502  -6.747
  393   1HE   LYS  47           HE2      LYS  47  70.232   0.518  -8.427
  394   2HE   LYS  47           HE1      LYS  47  68.627  -0.228  -8.318
  395   1HZ   LYS  47           HZ1      LYS  47  68.271   2.499  -8.811
  396   2HZ   LYS  47           HZ3      LYS  47  69.425   1.942  -9.922
  397   3HZ   LYS  47           HZ2      LYS  47  67.901   1.198  -9.837
  398    H    GLU  48           HN       GLU  48  69.124   1.181  -4.334
  399    HA   GLU  48           HA       GLU  48  66.956  -0.457  -5.041
  400   1HB   GLU  48           HB2      GLU  48  69.121  -0.484  -2.941
  401   2HB   GLU  48           HB1      GLU  48  67.940  -1.788  -2.979
  402   1HG   GLU  48           HG2      GLU  48  69.418  -0.963  -5.470
  403   2HG   GLU  48           HG1      GLU  48  70.136  -2.094  -4.324
  404    H    ILE  49           HN       ILE  49  67.643   1.403  -2.154
  405    HA   ILE  49           HA       ILE  49  65.524   0.596  -0.460
  406    HB   ILE  49           HB       ILE  49  66.840   3.269  -0.929
  407   1HG1  ILE  49          HG12      ILE  49  67.568   1.400   1.273
  408   2HG1  ILE  49          HG11      ILE  49  68.111   1.007  -0.357
  409   1HG2  ILE  49          HG21      ILE  49  64.660   2.713   0.681
  410   2HG2  ILE  49          HG23      ILE  49  66.028   2.635   1.791
  411   3HG2  ILE  49          HG22      ILE  49  65.741   4.096   0.844
  412   1HD1  ILE  49          HD11      ILE  49  68.566   3.696   0.953
  413   2HD1  ILE  49          HD13      ILE  49  69.751   2.389   0.962
  414   3HD1  ILE  49          HD12      ILE  49  69.252   3.115  -0.562
  415    H    LYS  50           HN       LYS  50  65.736   2.978  -3.050
  416    HA   LYS  50           HA       LYS  50  63.143   4.168  -2.779
  417   1HB   LYS  50           HB2      LYS  50  65.255   4.789  -4.185
  418   2HB   LYS  50           HB1      LYS  50  64.568   3.711  -5.402
  419   1HG   LYS  50           HG2      LYS  50  62.853   5.839  -4.146
  420   2HG   LYS  50           HG1      LYS  50  63.950   6.257  -5.464
  421   1HD   LYS  50           HD2      LYS  50  62.398   3.815  -5.971
  422   2HD   LYS  50           HD1      LYS  50  61.398   5.255  -5.786
  423   1HE   LYS  50           HE2      LYS  50  62.228   6.241  -7.696
  424   2HE   LYS  50           HE1      LYS  50  63.839   5.527  -7.484
  425   1HZ   LYS  50           HZ2      LYS  50  61.581   3.715  -7.908
  426   2HZ   LYS  50           HZ1      LYS  50  62.153   4.578  -9.256
  427   3HZ   LYS  50           HZ3      LYS  50  63.200   3.558  -8.398
  428    H    GLU  51           HN       GLU  51  64.282   1.314  -4.570
  429    HA   GLU  51           HA       GLU  51  61.952   0.674  -6.034
  430   1HB   GLU  51           HB2      GLU  51  64.139  -0.426  -6.240
  431   2HB   GLU  51           HB1      GLU  51  63.969  -1.093  -4.616
  432   1HG   GLU  51           HG2      GLU  51  62.607  -2.763  -5.326
  433   2HG   GLU  51           HG1      GLU  51  61.671  -1.674  -6.350
  434    H    ALA  52           HN       ALA  52  62.845  -0.170  -2.683
  435    HA   ALA  52           HA       ALA  52  60.786  -1.843  -1.875
  436   1HB   ALA  52           HB1      ALA  52  62.084   0.550  -0.553
  437   2HB   ALA  52           HB3      ALA  52  61.009  -0.538   0.319
  438   3HB   ALA  52           HB2      ALA  52  62.512  -1.148  -0.366
  439    H    TYR  53           HN       TYR  53  60.573   1.526  -2.804
  440    HA   TYR  53           HA       TYR  53  58.068   2.180  -1.631
  441   1HB   TYR  53           HB2      TYR  53  59.418   3.070  -4.192
  442   2HB   TYR  53           HB1      TYR  53  58.044   3.894  -3.460
  443    HD1  TYR  53           HD1      TYR  53  59.952   2.501  -0.847
  444    HD2  TYR  53           HD2      TYR  53  59.954   5.753  -3.652
  445    HE1  TYR  53           HE1      TYR  53  61.504   3.743   0.604
  446    HE2  TYR  53           HE2      TYR  53  61.500   7.003  -2.190
  447    HH   TYR  53           HH       TYR  53  62.380   5.827   1.013
  448    H    GLU  54           HN       GLU  54  58.875   0.827  -4.823
  449    HA   GLU  54           HA       GLU  54  56.301   0.648  -5.950
  450   1HB   GLU  54           HB2      GLU  54  58.325  -1.601  -6.049
  451   2HB   GLU  54           HB1      GLU  54  57.242  -1.056  -7.329
  452   1HG   GLU  54           HG2      GLU  54  58.761   1.194  -6.632
  453   2HG   GLU  54           HG1      GLU  54  59.905  -0.147  -6.686
  454    H    VAL  55           HN       VAL  55  57.752  -1.010  -3.274
  455    HA   VAL  55           HA       VAL  55  55.569  -2.976  -3.189
  456    HB   VAL  55           HB       VAL  55  58.318  -2.950  -2.601
  457   1HG1  VAL  55          HG11      VAL  55  56.631  -3.300  -0.107
  458   2HG1  VAL  55          HG13      VAL  55  58.325  -3.771  -0.243
  459   3HG1  VAL  55          HG12      VAL  55  57.867  -2.072  -0.369
  460   1HG2  VAL  55          HG22      VAL  55  56.219  -4.762  -3.024
  461   2HG2  VAL  55          HG21      VAL  55  57.940  -5.137  -2.929
  462   3HG2  VAL  55          HG23      VAL  55  56.936  -5.229  -1.481
  463    H    LEU  56           HN       LEU  56  57.019  -0.442  -1.063
  464    HA   LEU  56           HA       LEU  56  54.756  -0.825   0.784
  465   1HB   LEU  56           HB2      LEU  56  56.369  -0.262   2.241
  466   2HB   LEU  56           HB1      LEU  56  57.467   0.054   0.902
  467    HG   LEU  56           HG       LEU  56  57.293   2.016   2.351
  468   1HD1  LEU  56          HD11      LEU  56  56.804   1.949  -0.428
  469   2HD1  LEU  56          HD13      LEU  56  55.770   3.203   0.240
  470   3HD1  LEU  56          HD12      LEU  56  57.512   3.266   0.501
  471   1HD2  LEU  56          HD23      LEU  56  54.531   1.256   2.371
  472   2HD2  LEU  56          HD22      LEU  56  55.339   2.480   3.351
  473   3HD2  LEU  56          HD21      LEU  56  54.658   2.913   1.782
  474    H    THR  57           HN       THR  57  55.587   1.394  -1.813
  475    HA   THR  57           HA       THR  57  53.578   3.379  -0.911
  476    HB   THR  57           HB       THR  57  54.263   4.590  -2.949
  477    HG1  THR  57           HG1      THR  57  56.248   3.183  -3.864
  478   1HG2  THR  57          HG22      THR  57  55.742   4.610  -0.864
  479   2HG2  THR  57          HG21      THR  57  56.778   3.462  -1.712
  480   3HG2  THR  57          HG23      THR  57  56.523   5.073  -2.372
  481    H    ASP  58           HN       ASP  58  52.677   0.623  -1.504
  482    HA   ASP  58           HA       ASP  58  50.552   1.301  -3.447
  483   1HB   ASP  58           HB2      ASP  58  52.892  -0.229  -4.068
  484   2HB   ASP  58           HB1      ASP  58  51.500  -1.315  -4.084
  485    H    SER  59           HN       SER  59  48.757   0.791  -2.480
  486    HA   SER  59           HA       SER  59  48.425  -0.577  -0.129
  487   1HB   SER  59           HB2      SER  59  46.820   0.797  -1.632
  488   2HB   SER  59           HB1      SER  59  46.420  -0.753  -2.366
  489    HG   SER  59           HG       SER  59  45.924  -1.493  -0.228
  490    H    GLN  60           HN       GLN  60  48.210  -2.000  -3.402
  491    HA   GLN  60           HA       GLN  60  47.548  -4.666  -2.599
  492   1HB   GLN  60           HB2      GLN  60  47.357  -3.790  -4.883
  493   2HB   GLN  60           HB1      GLN  60  49.104  -3.571  -4.965
  494   1HG   GLN  60           HG2      GLN  60  49.510  -5.909  -4.953
  495   2HG   GLN  60           HG1      GLN  60  47.870  -6.272  -4.415
  496   1HE2  GLN  60          HE22      GLN  60  48.600  -6.137  -8.340
  497   2HE2  GLN  60          HE21      GLN  60  49.814  -6.241  -7.158
  498    H    LYS  61           HN       LYS  61  50.628  -2.991  -2.915
  499    HA   LYS  61           HA       LYS  61  52.328  -5.324  -2.502
  500   1HB   LYS  61           HB2      LYS  61  52.790  -2.354  -2.285
  501   2HB   LYS  61           HB1      LYS  61  54.037  -3.588  -2.482
  502   1HG   LYS  61           HG2      LYS  61  51.783  -3.120  -4.445
  503   2HG   LYS  61           HG1      LYS  61  53.396  -2.437  -4.623
  504   1HD   LYS  61           HD2      LYS  61  54.326  -4.441  -5.212
  505   2HD   LYS  61           HD1      LYS  61  53.291  -5.357  -4.116
  506   1HE   LYS  61           HE2      LYS  61  51.395  -4.581  -5.841
  507   2HE   LYS  61           HE1      LYS  61  52.783  -4.537  -6.945
  508   1HZ   LYS  61           HZ1      LYS  61  53.304  -6.778  -5.653
  509   2HZ   LYS  61           HZ3      LYS  61  51.613  -6.804  -5.527
  510   3HZ   LYS  61           HZ2      LYS  61  52.351  -6.745  -7.058
  511    H    ARG  62           HN       ARG  62  51.706  -2.454  -0.462
  512    HA   ARG  62           HA       ARG  62  53.022  -3.465   1.833
  513   1HB   ARG  62           HB2      ARG  62  51.697  -1.707   2.978
  514   2HB   ARG  62           HB1      ARG  62  52.318  -1.121   1.432
  515   1HG   ARG  62           HG2      ARG  62  50.237  -1.266   0.387
  516   2HG   ARG  62           HG1      ARG  62  49.625  -2.442   1.545
  517   1HD   ARG  62           HD2      ARG  62  50.381   0.236   2.631
  518   2HD   ARG  62           HD1      ARG  62  48.896   0.142   1.663
  519    HE   ARG  62           HE       ARG  62  48.456  -1.957   3.226
  520   1HH1  ARG  62          HH11      ARG  62  50.847  -0.838   4.883
  521   2HH1  ARG  62          HH12      ARG  62  49.983  -0.062   6.167
  522   1HH2  ARG  62          HH21      ARG  62  46.932  -0.146   4.522
  523   2HH2  ARG  62          HH22      ARG  62  47.766   0.329   5.963
  524    H    ALA  63           HN       ALA  63  49.891  -4.227   0.511
  525    HA   ALA  63           HA       ALA  63  48.858  -5.388   3.007
  526   1HB   ALA  63           HB2      ALA  63  47.472  -4.317   1.195
  527   2HB   ALA  63           HB1      ALA  63  47.914  -5.652   0.130
  528   3HB   ALA  63           HB3      ALA  63  46.958  -5.959   1.580
  529    H    ALA  64           HN       ALA  64  50.686  -6.341   0.228
  530    HA   ALA  64           HA       ALA  64  50.357  -9.237   0.716
  531   1HB   ALA  64           HB2      ALA  64  50.882  -7.541  -1.448
  532   2HB   ALA  64           HB1      ALA  64  52.419  -8.354  -1.155
  533   3HB   ALA  64           HB3      ALA  64  50.966  -9.302  -1.473
  534    H    TYR  65           HN       TYR  65  52.980  -6.810   0.731
  535    HA   TYR  65           HA       TYR  65  54.979  -8.613   1.755
  536   1HB   TYR  65           HB2      TYR  65  54.629  -5.631   1.455
  537   2HB   TYR  65           HB1      TYR  65  56.082  -6.302   2.215
  538    HD1  TYR  65           HD2      TYR  65  53.964  -6.547  -0.860
  539    HD2  TYR  65           HD1      TYR  65  57.835  -7.170   0.888
  540    HE1  TYR  65           HE2      TYR  65  54.877  -7.117  -3.093
  541    HE2  TYR  65           HE1      TYR  65  58.750  -7.745  -1.347
  542    HH   TYR  65           HH       TYR  65  58.191  -8.284  -3.479
  543    H    ASP  66           HN       ASP  66  52.398  -6.845   3.283
  544    HA   ASP  66           HA       ASP  66  53.425  -6.411   5.887
  545   1HB   ASP  66           HB2      ASP  66  51.051  -6.587   6.556
  546   2HB   ASP  66           HB1      ASP  66  51.193  -5.709   5.036
  547    H    GLN  67           HN       GLN  67  52.332  -9.368   4.289
  548    HA   GLN  67           HA       GLN  67  53.096 -10.925   6.743
  549   1HB   GLN  67           HB2      GLN  67  51.275 -11.762   4.468
  550   2HB   GLN  67           HB1      GLN  67  51.418 -12.509   6.059
  551   1HG   GLN  67           HG2      GLN  67  50.823  -9.781   6.516
  552   2HG   GLN  67           HG1      GLN  67  49.726 -10.323   5.245
  553   1HE2  GLN  67          HE22      GLN  67  47.674 -11.778   7.708
  554   2HE2  GLN  67          HE21      GLN  67  47.790 -10.765   6.351
  555    H    TYR  68           HN       TYR  68  54.570  -9.934   4.138
  556    HA   TYR  68           HA       TYR  68  56.181 -10.815   2.646
  557   1HB   TYR  68           HB2      TYR  68  56.248 -12.308   5.222
  558   2HB   TYR  68           HB1      TYR  68  57.176 -13.003   3.888
  559    HD1  TYR  68           HD2      TYR  68  56.471  -9.555   5.219
  560    HD2  TYR  68           HD1      TYR  68  59.408 -12.363   3.826
  561    HE1  TYR  68           HE2      TYR  68  58.253  -7.868   5.576
  562    HE2  TYR  68           HE1      TYR  68  61.191 -10.675   4.186
  563    HH   TYR  68           HH       TYR  68  60.443  -7.353   4.962
  564    H    GLY  69           HN       GLY  69  53.299 -11.859   2.535
  565   1HA   GLY  69           HA2      GLY  69  52.486 -13.232   0.693
  566   2HA   GLY  69           HA1      GLY  69  53.924 -14.242   0.864
  567    H    HIS  70           HN       HIS  70  51.700 -15.691   0.833
  568    HA   HIS  70           HA       HIS  70  50.555 -15.975   3.526
  569   1HB   HIS  70           HB2      HIS  70  49.183 -17.669   2.424
  570   2HB   HIS  70           HB1      HIS  70  49.289 -16.249   1.378
  571    HD1  HIS  70           HD1      HIS  70  52.474 -17.401   0.867
  572    HD2  HIS  70           HD2      HIS  70  48.791 -19.038  -0.197
  573    HE1  HIS  70           HE1      HIS  70  52.925 -18.989  -1.053
  574    H    ALA  71           HN       ALA  71  53.508 -16.703   2.508
  575    HA   ALA  71           HA       ALA  71  53.718 -19.540   3.198
  576   1HB   ALA  71           HB1      ALA  71  55.539 -17.262   2.471
  577   2HB   ALA  71           HB3      ALA  71  56.236 -18.736   3.143
  578   3HB   ALA  71           HB2      ALA  71  55.305 -18.803   1.646
  579    H    ALA  72           HN       ALA  72  54.294 -16.431   4.811
  580    HA   ALA  72           HA       ALA  72  55.709 -17.248   7.098
  581   1HB   ALA  72           HB3      ALA  72  54.291 -15.006   6.137
  582   2HB   ALA  72           HB2      ALA  72  53.589 -15.363   7.715
  583   3HB   ALA  72           HB1      ALA  72  55.321 -15.067   7.568
  584    H    PHE  73           HN       PHE  73  52.436 -17.954   6.165
  585    HA   PHE  73           HA       PHE  73  51.825 -19.006   8.901
  586   1HB   PHE  73           HB2      PHE  73  50.395 -17.567   6.843
  587   2HB   PHE  73           HB1      PHE  73  49.569 -19.090   7.189
  588    HD1  PHE  73           HD1      PHE  73  50.814 -15.925   8.663
  589    HD2  PHE  73           HD2      PHE  73  48.520 -19.496   9.318
  590    HE1  PHE  73           HE1      PHE  73  49.925 -14.966  10.770
  591    HE2  PHE  73           HE2      PHE  73  47.631 -18.539  11.426
  592    HZ   PHE  73           HZ       PHE  73  48.334 -16.273  12.153
  593    H    GLU  74           HN       GLU  74  52.783 -19.985   5.790
  594    HA   GLU  74           HA       GLU  74  52.883 -22.105   4.748
  595   1HB   GLU  74           HB2      GLU  74  52.416 -23.097   7.570
  596   2HB   GLU  74           HB1      GLU  74  53.374 -23.861   6.301
  597   1HG   GLU  74           HG2      GLU  74  54.719 -21.588   6.381
  598   2HG   GLU  74           HG1      GLU  74  54.038 -21.485   8.004
  599    H    GLN  75           HN       GLN  75  50.575 -21.342   3.989
  600    HA   GLN  75           HA       GLN  75  48.364 -21.989   3.464
  601   1HB   GLN  75           HB2      GLN  75  49.979 -24.314   4.017
  602   2HB   GLN  75           HB1      GLN  75  48.323 -24.611   4.545
  603   1HG   GLN  75           HG2      GLN  75  47.477 -23.936   2.341
  604   2HG   GLN  75           HG1      GLN  75  49.121 -23.585   1.804
  605   1HE2  GLN  75          HE22      GLN  75  48.598 -26.974   0.554
  606   2HE2  GLN  75          HE21      GLN  75  48.198 -25.372   0.155
  607    H    GLY  76           HN       GLY  76  48.386 -20.451   5.690
  608   1HA   GLY  76           HA2      GLY  76  47.199 -21.846   7.978
  609   2HA   GLY  76           HA1      GLY  76  47.442 -20.104   7.837
  610    H    GLY  77           HN       GLY  77  45.027 -21.219   8.804
  611   1HA   GLY  77           HA2      GLY  77  43.037 -19.768   7.580
  612   2HA   GLY  77           HA1      GLY  77  43.061 -21.263   6.644
   
  No H/Q in entry =         612
  Start of MODEL   12
    1   1H    ALA   1           HT2      ALA   1  71.422 -12.371  -2.081
    2   2H    ALA   1           HT1      ALA   1  71.531 -12.424  -0.387
    3   3H    ALA   1           HT3      ALA   1  71.915 -13.798  -1.304
    4    HA   ALA   1           HA       ALA   1  69.632 -14.058  -1.994
    5   1HB   ALA   1           HB3      ALA   1  70.611 -14.874   0.228
    6   2HB   ALA   1           HB2      ALA   1  69.784 -13.511   0.980
    7   3HB   ALA   1           HB1      ALA   1  68.852 -14.764   0.160
    8    H    LYS   2           HN       LYS   2  67.391 -13.286  -1.748
    9    HA   LYS   2           HA       LYS   2  66.940 -10.584  -2.296
   10   1HB   LYS   2           HB2      LYS   2  65.429 -12.724  -2.325
   11   2HB   LYS   2           HB1      LYS   2  64.998 -12.232  -0.686
   12   1HG   LYS   2           HG2      LYS   2  63.384 -11.262  -2.216
   13   2HG   LYS   2           HG1      LYS   2  64.405  -9.964  -1.594
   14   1HD   LYS   2           HD2      LYS   2  65.521 -11.203  -3.996
   15   2HD   LYS   2           HD1      LYS   2  63.927 -10.503  -4.279
   16   1HE   LYS   2           HE2      LYS   2  65.111  -8.537  -2.767
   17   2HE   LYS   2           HE1      LYS   2  66.485  -9.144  -3.712
   18   1HZ   LYS   2           HZ1      LYS   2  63.851  -8.648  -4.961
   19   2HZ   LYS   2           HZ3      LYS   2  64.993  -7.404  -4.807
   20   3HZ   LYS   2           HZ2      LYS   2  65.369  -8.792  -5.712
   21    H    GLN   3           HN       GLN   3  66.719  -8.734  -1.046
   22    HA   GLN   3           HA       GLN   3  67.441  -8.937   1.822
   23   1HB   GLN   3           HB2      GLN   3  66.931  -6.500   0.092
   24   2HB   GLN   3           HB1      GLN   3  67.870  -6.573   1.583
   25   1HG   GLN   3           HG2      GLN   3  69.505  -8.061   0.487
   26   2HG   GLN   3           HG1      GLN   3  68.567  -7.993  -1.006
   27   1HE2  GLN   3          HE22      GLN   3  70.252  -4.420   0.153
   28   2HE2  GLN   3          HE21      GLN   3  69.505  -5.398   1.321
   29    H    ASP   4           HN       ASP   4  66.119  -6.684   2.819
   30    HA   ASP   4           HA       ASP   4  63.234  -7.485   2.597
   31   1HB   ASP   4           HB2      ASP   4  63.383  -6.411   5.062
   32   2HB   ASP   4           HB1      ASP   4  63.723  -8.111   4.761
   33    H    TYR   5           HN       TYR   5  62.758  -5.861   1.065
   34    HA   TYR   5           HA       TYR   5  63.474  -3.166   1.057
   35   1HB   TYR   5           HB2      TYR   5  61.003  -2.956   0.115
   36   2HB   TYR   5           HB1      TYR   5  62.251  -3.825  -0.781
   37    HD1  TYR   5           HD2      TYR   5  59.605  -4.363   1.803
   38    HD2  TYR   5           HD1      TYR   5  61.937  -6.023  -1.388
   39    HE1  TYR   5           HE2      TYR   5  58.251  -6.449   1.902
   40    HE2  TYR   5           HE1      TYR   5  60.594  -8.114  -1.295
   41    HH   TYR   5           HH       TYR   5  58.545  -8.857   1.288
   42    H    TYR   6           HN       TYR   6  60.972  -4.723   3.104
   43    HA   TYR   6           HA       TYR   6  59.955  -2.211   4.106
   44   1HB   TYR   6           HB2      TYR   6  59.907  -5.089   4.988
   45   2HB   TYR   6           HB1      TYR   6  59.340  -3.833   6.096
   46    HD1  TYR   6           HD2      TYR   6  58.052  -1.862   4.603
   47    HD2  TYR   6           HD1      TYR   6  58.121  -6.087   3.829
   48    HE1  TYR   6           HE2      TYR   6  55.924  -1.661   3.353
   49    HE2  TYR   6           HE1      TYR   6  55.993  -5.886   2.572
   50    HH   TYR   6           HH       TYR   6  54.548  -2.746   1.887
   51    H    GLU   7           HN       GLU   7  62.685  -4.272   4.784
   52    HA   GLU   7           HA       GLU   7  63.535  -2.702   7.137
   53   1HB   GLU   7           HB2      GLU   7  63.797  -5.296   6.478
   54   2HB   GLU   7           HB1      GLU   7  65.276  -4.684   5.736
   55   1HG   GLU   7           HG2      GLU   7  65.050  -3.474   8.303
   56   2HG   GLU   7           HG1      GLU   7  64.768  -5.204   8.506
   57    H    ILE   8           HN       ILE   8  63.957  -2.828   3.680
   58    HA   ILE   8           HA       ILE   8  66.463  -1.699   3.223
   59    HB   ILE   8           HB       ILE   8  63.799  -1.663   1.972
   60   1HG1  ILE   8          HG12      ILE   8  66.635  -1.939   0.953
   61   2HG1  ILE   8          HG11      ILE   8  65.511  -3.254   1.297
   62   1HG2  ILE   8          HG22      ILE   8  64.397   0.799   2.024
   63   2HG2  ILE   8          HG21      ILE   8  65.795   0.401   1.037
   64   3HG2  ILE   8          HG23      ILE   8  64.168   0.126   0.418
   65   1HD1  ILE   8          HD11      ILE   8  64.010  -1.778  -0.417
   66   2HD1  ILE   8          HD13      ILE   8  65.625  -1.428  -1.033
   67   3HD1  ILE   8          HD12      ILE   8  65.060  -3.096  -0.937
   68    H    LEU   9           HN       LEU   9  63.430  -0.207   4.130
   69    HA   LEU   9           HA       LEU   9  64.610   2.483   4.581
   70   1HB   LEU   9           HB2      LEU   9  61.874   1.185   4.773
   71   2HB   LEU   9           HB1      LEU   9  62.153   2.886   5.137
   72    HG   LEU   9           HG       LEU   9  61.549   3.035   2.928
   73   1HD1  LEU   9          HD13      LEU   9  64.506   2.457   2.761
   74   2HD1  LEU   9          HD12      LEU   9  63.566   3.210   1.476
   75   3HD1  LEU   9          HD11      LEU   9  63.751   4.026   3.028
   76   1HD2  LEU   9          HD22      LEU   9  62.734   0.302   2.615
   77   2HD2  LEU   9          HD21      LEU   9  61.078   0.825   2.341
   78   3HD2  LEU   9          HD23      LEU   9  62.348   1.288   1.214
   79    H    GLY  10           HN       GLY  10  63.645  -0.389   6.259
   80   1HA   GLY  10           HA2      GLY  10  64.431  -0.890   8.509
   81   2HA   GLY  10           HA1      GLY  10  64.399   0.846   8.858
   82    H    VAL  11           HN       VAL  11  61.765  -0.161   6.963
   83    HA   VAL  11           HA       VAL  11  59.972   0.087   9.336
   84    HB   VAL  11           HB       VAL  11  58.511  -0.076   6.907
   85   1HG1  VAL  11          HG11      VAL  11  59.256   2.179   8.754
   86   2HG1  VAL  11          HG13      VAL  11  58.081   2.344   7.450
   87   3HG1  VAL  11          HG12      VAL  11  57.784   1.207   8.766
   88   1HG2  VAL  11          HG21      VAL  11  61.040   1.527   6.646
   89   2HG2  VAL  11          HG23      VAL  11  60.249   0.491   5.457
   90   3HG2  VAL  11          HG22      VAL  11  59.562   2.065   5.858
   91    H    SER  12           HN       SER  12  58.088  -1.352   9.429
   92    HA   SER  12           HA       SER  12  58.792  -4.113   8.670
   93   1HB   SER  12           HB2      SER  12  56.252  -3.357  10.032
   94   2HB   SER  12           HB1      SER  12  57.350  -4.688  10.389
   95    HG   SER  12           HG       SER  12  57.395  -2.031  11.219
   96    H    LYS  13           HN       LYS  13  57.142  -5.447   7.503
   97    HA   LYS  13           HA       LYS  13  56.117  -4.178   5.164
   98   1HB   LYS  13           HB2      LYS  13  54.719  -6.315   5.077
   99   2HB   LYS  13           HB1      LYS  13  56.464  -6.547   5.207
  100   1HG   LYS  13           HG2      LYS  13  55.161  -6.269   7.817
  101   2HG   LYS  13           HG1      LYS  13  54.571  -7.654   6.901
  102   1HD   LYS  13           HD2      LYS  13  56.521  -8.780   7.137
  103   2HD   LYS  13           HD1      LYS  13  57.483  -7.350   6.757
  104   1HE   LYS  13           HE2      LYS  13  57.831  -6.878   8.957
  105   2HE   LYS  13           HE1      LYS  13  56.133  -7.187   9.372
  106   1HZ   LYS  13           HZ3      LYS  13  57.807  -9.447   8.547
  107   2HZ   LYS  13           HZ2      LYS  13  58.010  -8.839  10.120
  108   3HZ   LYS  13           HZ1      LYS  13  56.493  -9.416   9.618
  109    H    THR  14           HN       THR  14  55.108  -4.069   8.376
  110    HA   THR  14           HA       THR  14  52.289  -3.464   7.817
  111    HB   THR  14           HB       THR  14  52.051  -3.845  10.079
  112    HG1  THR  14           HG1      THR  14  53.828  -3.122  11.524
  113   1HG2  THR  14          HG21      THR  14  53.796  -5.577   9.070
  114   2HG2  THR  14          HG23      THR  14  54.896  -4.790  10.201
  115   3HG2  THR  14          HG22      THR  14  53.433  -5.575  10.795
  116    H    ALA  15           HN       ALA  15  55.288  -1.866   7.690
  117    HA   ALA  15           HA       ALA  15  54.876   0.668   8.848
  118   1HB   ALA  15           HB3      ALA  15  56.240  -0.187   6.291
  119   2HB   ALA  15           HB2      ALA  15  56.539   1.323   7.146
  120   3HB   ALA  15           HB1      ALA  15  56.948  -0.213   7.906
  121    H    GLU  16           HN       GLU  16  55.271   1.914   6.035
  122    HA   GLU  16           HA       GLU  16  52.833   1.865   4.583
  123   1HB   GLU  16           HB2      GLU  16  52.939   3.354   7.097
  124   2HB   GLU  16           HB1      GLU  16  52.565   4.415   5.735
  125   1HG   GLU  16           HG2      GLU  16  51.106   1.922   5.516
  126   2HG   GLU  16           HG1      GLU  16  50.783   2.698   7.067
  127    H    GLU  17           HN       GLU  17  52.902   4.702   3.939
  128    HA   GLU  17           HA       GLU  17  55.445   4.743   2.423
  129   1HB   GLU  17           HB2      GLU  17  54.289   6.700   1.304
  130   2HB   GLU  17           HB1      GLU  17  53.378   5.192   1.224
  131   1HG   GLU  17           HG2      GLU  17  51.798   5.900   2.771
  132   2HG   GLU  17           HG1      GLU  17  52.910   7.033   3.542
  133    H    ARG  18           HN       ARG  18  54.802   5.507   5.432
  134    HA   ARG  18           HA       ARG  18  55.874   8.259   5.523
  135   1HB   ARG  18           HB2      ARG  18  55.603   7.719   8.060
  136   2HB   ARG  18           HB1      ARG  18  54.142   7.817   7.079
  137   1HG   ARG  18           HG2      ARG  18  53.856   5.487   7.036
  138   2HG   ARG  18           HG1      ARG  18  55.549   5.174   7.422
  139   1HD   ARG  18           HD2      ARG  18  54.773   4.849   9.553
  140   2HD   ARG  18           HD1      ARG  18  54.707   6.621   9.629
  141    HE   ARG  18           HE       ARG  18  52.392   4.883   8.869
  142   1HH1  ARG  18          HH11      ARG  18  52.100   7.597   7.774
  143   2HH1  ARG  18          HH12      ARG  18  51.328   8.460   9.061
  144   1HH2  ARG  18          HH21      ARG  18  52.114   6.102  11.475
  145   2HH2  ARG  18          HH22      ARG  18  51.329   7.611  11.152
  146    H    GLU  19           HN       GLU  19  56.929   6.217   8.055
  147    HA   GLU  19           HA       GLU  19  59.596   6.809   8.085
  148   1HB   GLU  19           HB2      GLU  19  59.589   4.121   8.755
  149   2HB   GLU  19           HB1      GLU  19  59.250   5.434   9.866
  150   1HG   GLU  19           HG2      GLU  19  56.864   5.188   9.509
  151   2HG   GLU  19           HG1      GLU  19  57.133   4.020   8.212
  152    H    ILE  20           HN       ILE  20  57.885   4.752   5.855
  153    HA   ILE  20           HA       ILE  20  60.146   3.374   4.712
  154    HB   ILE  20           HB       ILE  20  57.339   3.532   4.600
  155   1HG1  ILE  20          HG12      ILE  20  58.048   1.578   2.778
  156   2HG1  ILE  20          HG11      ILE  20  59.478   1.721   3.801
  157   1HG2  ILE  20          HG21      ILE  20  58.608   4.163   1.946
  158   2HG2  ILE  20          HG23      ILE  20  57.046   3.352   2.055
  159   3HG2  ILE  20          HG22      ILE  20  57.252   4.967   2.733
  160   1HD1  ILE  20          HD11      ILE  20  57.665   1.751   5.734
  161   2HD1  ILE  20          HD13      ILE  20  56.695   0.906   4.529
  162   3HD1  ILE  20          HD12      ILE  20  58.236   0.228   5.056
  163    H    ARG  21           HN       ARG  21  58.505   6.449   4.107
  164    HA   ARG  21           HA       ARG  21  60.234   7.040   1.765
  165   1HB   ARG  21           HB2      ARG  21  58.722   8.812   1.421
  166   2HB   ARG  21           HB1      ARG  21  57.704   7.618   2.219
  167   1HG   ARG  21           HG2      ARG  21  57.225   9.573   3.420
  168   2HG   ARG  21           HG1      ARG  21  58.462   8.814   4.418
  169   1HD   ARG  21           HD2      ARG  21  59.623  10.754   4.246
  170   2HD   ARG  21           HD1      ARG  21  59.903  10.321   2.547
  171    HE   ARG  21           HE       ARG  21  57.621  11.442   2.118
  172   1HH1  ARG  21          HH21      ARG  21  58.149  11.948   5.307
  173   2HH1  ARG  21          HH22      ARG  21  58.216  13.678   5.245
  174   1HH2  ARG  21          HH11      ARG  21  58.365  13.812   1.784
  175   2HH2  ARG  21          HH12      ARG  21  58.337  14.733   3.250
  176    H    LYS  22           HN       LYS  22  59.928   7.758   5.149
  177    HA   LYS  22           HA       LYS  22  61.803   9.975   5.226
  178   1HB   LYS  22           HB2      LYS  22  60.117   9.845   6.902
  179   2HB   LYS  22           HB1      LYS  22  60.437   8.138   7.196
  180   1HG   LYS  22           HG2      LYS  22  61.354   9.770   8.944
  181   2HG   LYS  22           HG1      LYS  22  62.500   8.600   8.290
  182   1HD   LYS  22           HD2      LYS  22  63.669  10.651   8.199
  183   2HD   LYS  22           HD1      LYS  22  63.084  10.431   6.554
  184   1HE   LYS  22           HE2      LYS  22  61.721  12.252   6.683
  185   2HE   LYS  22           HE1      LYS  22  61.159  11.815   8.309
  186   1HZ   LYS  22           HZ2      LYS  22  63.908  12.791   7.802
  187   2HZ   LYS  22           HZ1      LYS  22  62.629  13.858   8.141
  188   3HZ   LYS  22           HZ3      LYS  22  63.086  12.691   9.285
  189    H    ALA  23           HN       ALA  23  61.951   6.528   6.114
  190    HA   ALA  23           HA       ALA  23  64.476   6.257   7.213
  191   1HB   ALA  23           HB2      ALA  23  62.715   4.627   5.434
  192   2HB   ALA  23           HB1      ALA  23  64.350   4.034   5.728
  193   3HB   ALA  23           HB3      ALA  23  63.251   4.297   7.082
  194    H    TYR  24           HN       TYR  24  63.678   6.429   3.754
  195    HA   TYR  24           HA       TYR  24  66.446   6.206   2.879
  196   1HB   TYR  24           HB2      TYR  24  64.315   5.555   1.646
  197   2HB   TYR  24           HB1      TYR  24  63.995   7.272   1.432
  198    HD1  TYR  24           HD2      TYR  24  67.288   5.517   1.361
  199    HD2  TYR  24           HD1      TYR  24  64.293   7.624  -0.885
  200    HE1  TYR  24           HE2      TYR  24  68.807   5.590  -0.597
  201    HE2  TYR  24           HE1      TYR  24  65.812   7.698  -2.842
  202    HH   TYR  24           HH       TYR  24  68.248   7.585  -3.282
  203    H    LYS  25           HN       LYS  25  64.053   8.755   3.314
  204    HA   LYS  25           HA       LYS  25  65.371  11.028   2.371
  205   1HB   LYS  25           HB2      LYS  25  63.227  10.227   4.073
  206   2HB   LYS  25           HB1      LYS  25  64.095  11.529   4.884
  207   1HG   LYS  25           HG2      LYS  25  63.168  13.034   3.489
  208   2HG   LYS  25           HG1      LYS  25  63.845  12.178   2.100
  209   1HD   LYS  25           HD2      LYS  25  61.948  10.687   2.008
  210   2HD   LYS  25           HD1      LYS  25  61.310  11.336   3.519
  211   1HE   LYS  25           HE2      LYS  25  60.053  12.437   1.807
  212   2HE   LYS  25           HE1      LYS  25  61.279  13.626   2.287
  213   1HZ   LYS  25           HZ2      LYS  25  61.901  11.633   0.211
  214   2HZ   LYS  25           HZ1      LYS  25  61.021  13.025  -0.207
  215   3HZ   LYS  25           HZ3      LYS  25  62.576  13.174   0.453
  216    H    ARG  26           HN       ARG  26  65.840   9.271   5.416
  217    HA   ARG  26           HA       ARG  26  67.614  11.223   6.614
  218   1HB   ARG  26           HB2      ARG  26  67.170   8.269   7.148
  219   2HB   ARG  26           HB1      ARG  26  67.914   9.415   8.264
  220   1HG   ARG  26           HG2      ARG  26  65.227  10.119   7.174
  221   2HG   ARG  26           HG1      ARG  26  65.301   8.832   8.380
  222   1HD   ARG  26           HD2      ARG  26  66.950  11.178   9.068
  223   2HD   ARG  26           HD1      ARG  26  65.209  11.513   8.996
  224    HE   ARG  26           HE       ARG  26  65.840   9.015  10.373
  225   1HH1  ARG  26          HH11      ARG  26  63.713  11.331  10.762
  226   2HH1  ARG  26          HH12      ARG  26  64.111  11.795  12.382
  227   1HH2  ARG  26          HH21      ARG  26  67.120  10.074  12.421
  228   2HH2  ARG  26          HH22      ARG  26  66.039  11.084  13.322
  229    H    LEU  27           HN       LEU  27  68.201   8.010   5.119
  230    HA   LEU  27           HA       LEU  27  71.099   8.341   5.246
  231   1HB   LEU  27           HB2      LEU  27  71.114   6.125   4.439
  232   2HB   LEU  27           HB1      LEU  27  69.608   6.209   5.352
  233    HG   LEU  27           HG       LEU  27  68.565   6.905   3.061
  234   1HD1  LEU  27          HD11      LEU  27  71.311   6.033   2.365
  235   2HD1  LEU  27          HD13      LEU  27  70.023   5.364   1.364
  236   3HD1  LEU  27          HD12      LEU  27  70.221   7.111   1.495
  237   1HD2  LEU  27          HD23      LEU  27  69.126   4.358   4.329
  238   2HD2  LEU  27          HD22      LEU  27  67.671   4.876   3.478
  239   3HD2  LEU  27          HD21      LEU  27  69.015   4.170   2.579
  240    H    ALA  28           HN       ALA  28  68.566   8.661   2.831
  241    HA   ALA  28           HA       ALA  28  70.276   8.948   0.548
  242   1HB   ALA  28           HB3      ALA  28  67.777   8.378   0.793
  243   2HB   ALA  28           HB2      ALA  28  67.523  10.113   0.977
  244   3HB   ALA  28           HB1      ALA  28  68.208   9.475  -0.519
  245    H    MET  29           HN       MET  29  68.757  11.292   2.776
  246    HA   MET  29           HA       MET  29  69.776  13.620   1.387
  247   1HB   MET  29           HB2      MET  29  68.990  14.783   3.335
  248   2HB   MET  29           HB1      MET  29  67.889  13.421   3.130
  249   1HG   MET  29           HG2      MET  29  68.369  13.043   5.330
  250   2HG   MET  29           HG1      MET  29  69.807  12.266   4.668
  251   1HE   MET  29           HE1      MET  29  68.228  15.474   5.051
  252   2HE   MET  29           HE3      MET  29  68.930  16.133   6.535
  253   3HE   MET  29           HE2      MET  29  69.570  16.614   4.965
  254    H    LYS  30           HN       LYS  30  71.059  11.294   3.623
  255    HA   LYS  30           HA       LYS  30  73.448  12.911   4.281
  256   1HB   LYS  30           HB2      LYS  30  71.986  10.650   5.308
  257   2HB   LYS  30           HB1      LYS  30  73.675  10.190   5.081
  258   1HG   LYS  30           HG2      LYS  30  74.349  11.470   6.813
  259   2HG   LYS  30           HG1      LYS  30  73.425  12.856   6.233
  260   1HD   LYS  30           HD2      LYS  30  71.592  12.347   7.514
  261   2HD   LYS  30           HD1      LYS  30  71.863  10.608   7.397
  262   1HE   LYS  30           HE2      LYS  30  74.085  11.456   8.814
  263   2HE   LYS  30           HE1      LYS  30  72.791  12.491   9.451
  264   1HZ   LYS  30           HZ2      LYS  30  72.465   9.573   9.038
  265   2HZ   LYS  30           HZ1      LYS  30  72.977  10.235  10.517
  266   3HZ   LYS  30           HZ3      LYS  30  71.444  10.622   9.901
  267    H    TYR  31           HN       TYR  31  72.416  10.601   1.914
  268    HA   TYR  31           HA       TYR  31  75.260  10.089   1.136
  269   1HB   TYR  31           HB2      TYR  31  72.743   8.534   1.146
  270   2HB   TYR  31           HB1      TYR  31  73.757   8.310  -0.282
  271    HD1  TYR  31           HD1      TYR  31  75.186   9.282   2.955
  272    HD2  TYR  31           HD2      TYR  31  74.363   5.998   0.314
  273    HE1  TYR  31           HE1      TYR  31  76.728   7.854   4.261
  274    HE2  TYR  31           HE2      TYR  31  75.905   4.565   1.622
  275    HH   TYR  31           HH       TYR  31  76.762   4.603   4.142
  276    H    HIS  32           HN       HIS  32  72.893  12.132   0.434
  277    HA   HIS  32           HA       HIS  32  72.470  12.149  -2.352
  278   1HB   HIS  32           HB2      HIS  32  71.839  14.453  -1.803
  279   2HB   HIS  32           HB1      HIS  32  71.396  13.395  -0.481
  280    HD1  HIS  32           HD1      HIS  32  72.481  16.557  -0.495
  281    HD2  HIS  32           HD2      HIS  32  74.343  13.145   1.008
  282    HE1  HIS  32           HE1      HIS  32  74.130  17.355   1.253
  283    HA   PRO  33           HA       PRO  33  76.091  13.841  -4.162
  284   1HB   PRO  33           HB2      PRO  33  76.231  16.579  -4.289
  285   2HB   PRO  33           HB1      PRO  33  75.216  15.589  -5.355
  286   1HG   PRO  33           HG2      PRO  33  74.464  17.141  -2.943
  287   2HG   PRO  33           HG1      PRO  33  73.573  16.890  -4.448
  288   1HD   PRO  33           HD2      PRO  33  73.044  15.615  -2.135
  289   2HD   PRO  33           HD1      PRO  33  72.666  14.935  -3.731
  290    H    ASP  34           HN       ASP  34  76.466  13.149  -1.591
  291    HA   ASP  34           HA       ASP  34  78.422  15.110  -0.450
  292   1HB   ASP  34           HB2      ASP  34  77.328  14.603   1.489
  293   2HB   ASP  34           HB1      ASP  34  76.276  13.507   0.603
  294    H    ARG  35           HN       ARG  35  77.806  11.716  -1.237
  295    HA   ARG  35           HA       ARG  35  80.711  11.287  -1.731
  296   1HB   ARG  35           HB2      ARG  35  80.488   9.163  -0.437
  297   2HB   ARG  35           HB1      ARG  35  80.166  10.579   0.565
  298   1HG   ARG  35           HG2      ARG  35  78.362   9.146   1.073
  299   2HG   ARG  35           HG1      ARG  35  77.682  10.230  -0.140
  300   1HD   ARG  35           HD2      ARG  35  77.235   8.464  -1.452
  301   2HD   ARG  35           HD1      ARG  35  78.965   8.075  -1.507
  302    HE   ARG  35           HE       ARG  35  76.993   6.877   0.329
  303   1HH1  ARG  35          HH21      ARG  35  79.974   8.034   1.050
  304   2HH1  ARG  35          HH22      ARG  35  80.733   6.505   1.336
  305   1HH2  ARG  35          HH11      ARG  35  78.096   4.654   0.064
  306   2HH2  ARG  35          HH12      ARG  35  79.672   4.594   0.780
  307    H    ASN  36           HN       ASN  36  77.317  10.411  -2.273
  308    HA   ASN  36           HA       ASN  36  77.467   8.118  -3.830
  309   1HB   ASN  36           HB2      ASN  36  75.803  10.599  -3.763
  310   2HB   ASN  36           HB1      ASN  36  75.579   9.504  -5.126
  311   1HD2  ASN  36          HD22      ASN  36  73.239   8.210  -2.626
  312   2HD2  ASN  36          HD21      ASN  36  73.356   9.504  -3.717
  313    H    GLN  37           HN       GLN  37  78.596  11.338  -4.625
  314    HA   GLN  37           HA       GLN  37  78.758  11.061  -7.474
  315   1HB   GLN  37           HB2      GLN  37  80.540  12.612  -5.565
  316   2HB   GLN  37           HB1      GLN  37  80.259  12.977  -7.268
  317   1HG   GLN  37           HG2      GLN  37  77.699  12.803  -6.106
  318   2HG   GLN  37           HG1      GLN  37  78.676  13.729  -4.966
  319   1HE2  GLN  37          HE22      GLN  37  77.773  16.468  -7.085
  320   2HE2  GLN  37          HE21      GLN  37  77.396  15.678  -5.631
  321    H    GLY  38           HN       GLY  38  80.419   9.446  -4.971
  322   1HA   GLY  38           HA2      GLY  38  82.554   8.628  -6.906
  323   2HA   GLY  38           HA1      GLY  38  82.880   8.829  -5.183
  324    H    ASP  39           HN       ASP  39  79.913   7.418  -6.445
  325    HA   ASP  39           HA       ASP  39  80.804   4.760  -5.371
  326   1HB   ASP  39           HB2      ASP  39  78.249   6.345  -5.086
  327   2HB   ASP  39           HB1      ASP  39  78.271   4.601  -4.818
  328    H    LYS  40           HN       LYS  40  81.380   4.355  -7.703
  329    HA   LYS  40           HA       LYS  40  79.153   4.172  -9.631
  330   1HB   LYS  40           HB2      LYS  40  81.422   4.950 -10.233
  331   2HB   LYS  40           HB1      LYS  40  82.070   3.380  -9.759
  332   1HG   LYS  40           HG2      LYS  40  79.877   2.961 -11.560
  333   2HG   LYS  40           HG1      LYS  40  80.991   4.122 -12.284
  334   1HD   LYS  40           HD2      LYS  40  82.783   2.624 -12.256
  335   2HD   LYS  40           HD1      LYS  40  82.064   1.636 -10.984
  336   1HE   LYS  40           HE2      LYS  40  81.089   1.833 -13.859
  337   2HE   LYS  40           HE1      LYS  40  81.871   0.429 -13.103
  338   1HZ   LYS  40           HZ1      LYS  40  79.975   0.937 -11.322
  339   2HZ   LYS  40           HZ3      LYS  40  79.181   1.482 -12.718
  340   3HZ   LYS  40           HZ2      LYS  40  79.741  -0.120 -12.633
  341    H    GLU  41           HN       GLU  41  78.699   2.595  -7.411
  342    HA   GLU  41           HA       GLU  41  78.224  -0.010  -8.517
  343   1HB   GLU  41           HB2      GLU  41  79.900  -1.028  -6.694
  344   2HB   GLU  41           HB1      GLU  41  80.476  -0.592  -8.301
  345   1HG   GLU  41           HG2      GLU  41  81.385   1.473  -7.528
  346   2HG   GLU  41           HG1      GLU  41  80.529   1.361  -5.992
  347    H    ALA  42           HN       ALA  42  78.827   1.964  -5.654
  348    HA   ALA  42           HA       ALA  42  76.859   0.469  -4.026
  349   1HB   ALA  42           HB2      ALA  42  79.008   2.464  -3.688
  350   2HB   ALA  42           HB1      ALA  42  77.606   2.747  -2.656
  351   3HB   ALA  42           HB3      ALA  42  78.464   1.208  -2.576
  352    H    GLU  43           HN       GLU  43  77.036   3.188  -6.169
  353    HA   GLU  43           HA       GLU  43  75.120   5.017  -5.329
  354   1HB   GLU  43           HB2      GLU  43  76.289   5.037  -7.512
  355   2HB   GLU  43           HB1      GLU  43  75.296   3.676  -8.038
  356   1HG   GLU  43           HG2      GLU  43  73.523   4.995  -8.478
  357   2HG   GLU  43           HG1      GLU  43  73.702   5.879  -6.963
  358    H    ALA  44           HN       ALA  44  74.496   1.976  -7.022
  359    HA   ALA  44           HA       ALA  44  71.746   2.164  -7.202
  360   1HB   ALA  44           HB2      ALA  44  73.680  -0.129  -6.957
  361   2HB   ALA  44           HB1      ALA  44  71.956  -0.431  -7.175
  362   3HB   ALA  44           HB3      ALA  44  72.858   0.462  -8.401
  363    H    LYS  45           HN       LYS  45  73.536   0.440  -4.591
  364    HA   LYS  45           HA       LYS  45  71.392  -0.382  -3.031
  365   1HB   LYS  45           HB2      LYS  45  73.641  -0.870  -2.362
  366   2HB   LYS  45           HB1      LYS  45  74.045   0.849  -2.232
  367   1HG   LYS  45           HG2      LYS  45  72.512   1.123  -0.365
  368   2HG   LYS  45           HG1      LYS  45  71.917  -0.527  -0.557
  369   1HD   LYS  45           HD2      LYS  45  73.612  -1.352   0.680
  370   2HD   LYS  45           HD1      LYS  45  74.809  -0.509  -0.303
  371   1HE   LYS  45           HE2      LYS  45  75.125   1.018   1.339
  372   2HE   LYS  45           HE1      LYS  45  73.391   1.394   1.360
  373   1HZ   LYS  45           HZ3      LYS  45  74.153  -1.185   2.458
  374   2HZ   LYS  45           HZ2      LYS  45  74.633   0.165   3.369
  375   3HZ   LYS  45           HZ1      LYS  45  72.991  -0.077   3.004
  376    H    PHE  46           HN       PHE  46  72.455   2.896  -3.638
  377    HA   PHE  46           HA       PHE  46  71.009   4.109  -1.423
  378   1HB   PHE  46           HB2      PHE  46  71.969   5.309  -4.039
  379   2HB   PHE  46           HB1      PHE  46  71.673   6.169  -2.527
  380    HD1  PHE  46           HD1      PHE  46  72.811   3.623  -0.922
  381    HD2  PHE  46           HD2      PHE  46  74.318   6.196  -4.012
  382    HE1  PHE  46           HE1      PHE  46  75.131   3.134  -0.194
  383    HE2  PHE  46           HE2      PHE  46  76.639   5.706  -3.284
  384    HZ   PHE  46           HZ       PHE  46  77.043   4.175  -1.379
  385    H    LYS  47           HN       LYS  47  70.374   3.861  -4.963
  386    HA   LYS  47           HA       LYS  47  67.611   4.834  -4.485
  387   1HB   LYS  47           HB2      LYS  47  67.769   5.435  -6.685
  388   2HB   LYS  47           HB1      LYS  47  69.474   5.025  -6.547
  389   1HG   LYS  47           HG2      LYS  47  67.284   3.105  -7.394
  390   2HG   LYS  47           HG1      LYS  47  68.411   3.906  -8.488
  391   1HD   LYS  47           HD2      LYS  47  70.100   2.796  -6.609
  392   2HD   LYS  47           HD1      LYS  47  68.831   1.578  -6.750
  393   1HE   LYS  47           HE2      LYS  47  70.687   1.234  -8.416
  394   2HE   LYS  47           HE1      LYS  47  69.117   1.513  -9.194
  395   1HZ   LYS  47           HZ3      LYS  47  70.613   3.897  -8.493
  396   2HZ   LYS  47           HZ2      LYS  47  71.297   2.957  -9.733
  397   3HZ   LYS  47           HZ1      LYS  47  69.714   3.555  -9.889
  398    H    GLU  48           HN       GLU  48  69.314   1.928  -4.461
  399    HA   GLU  48           HA       GLU  48  67.416   0.041  -5.491
  400   1HB   GLU  48           HB2      GLU  48  69.709   0.114  -3.547
  401   2HB   GLU  48           HB1      GLU  48  68.731  -1.345  -3.647
  402   1HG   GLU  48           HG2      GLU  48  69.915  -0.034  -6.096
  403   2HG   GLU  48           HG1      GLU  48  70.797  -1.246  -5.165
  404    H    ILE  49           HN       ILE  49  67.916   1.747  -2.519
  405    HA   ILE  49           HA       ILE  49  66.095   0.385  -0.787
  406    HB   ILE  49           HB       ILE  49  66.963   3.268  -1.027
  407   1HG1  ILE  49          HG12      ILE  49  68.022   1.474   1.076
  408   2HG1  ILE  49          HG11      ILE  49  68.526   1.106  -0.573
  409   1HG2  ILE  49          HG23      ILE  49  64.902   2.317   0.517
  410   2HG2  ILE  49          HG22      ILE  49  66.271   2.272   1.628
  411   3HG2  ILE  49          HG21      ILE  49  65.826   3.784   0.837
  412   1HD1  ILE  49          HD11      ILE  49  68.699   3.890   0.591
  413   2HD1  ILE  49          HD13      ILE  49  70.025   2.732   0.698
  414   3HD1  ILE  49          HD12      ILE  49  69.457   3.280  -0.877
  415    H    LYS  50           HN       LYS  50  65.763   3.264  -2.825
  416    HA   LYS  50           HA       LYS  50  63.124   4.031  -2.395
  417   1HB   LYS  50           HB2      LYS  50  64.788   3.835  -4.920
  418   2HB   LYS  50           HB1      LYS  50  63.211   4.619  -4.902
  419   1HG   LYS  50           HG2      LYS  50  64.318   5.825  -2.759
  420   2HG   LYS  50           HG1      LYS  50  65.779   5.506  -3.697
  421   1HD   LYS  50           HD2      LYS  50  65.294   7.291  -4.977
  422   2HD   LYS  50           HD1      LYS  50  63.851   6.449  -5.539
  423   1HE   LYS  50           HE2      LYS  50  62.784   7.291  -3.297
  424   2HE   LYS  50           HE1      LYS  50  64.105   8.476  -3.326
  425   1HZ   LYS  50           HZ1      LYS  50  63.443   8.735  -5.786
  426   2HZ   LYS  50           HZ3      LYS  50  61.968   8.044  -5.314
  427   3HZ   LYS  50           HZ2      LYS  50  62.489   9.498  -4.606
  428    H    GLU  51           HN       GLU  51  64.185   1.613  -4.819
  429    HA   GLU  51           HA       GLU  51  61.967   0.653  -6.016
  430   1HB   GLU  51           HB2      GLU  51  64.045  -0.461  -6.271
  431   2HB   GLU  51           HB1      GLU  51  64.167  -0.786  -4.545
  432   1HG   GLU  51           HG2      GLU  51  62.694  -2.569  -4.626
  433   2HG   GLU  51           HG1      GLU  51  61.830  -1.923  -6.019
  434    H    ALA  52           HN       ALA  52  62.764   0.068  -2.617
  435    HA   ALA  52           HA       ALA  52  60.895  -1.711  -1.690
  436   1HB   ALA  52           HB2      ALA  52  61.592   1.037  -0.603
  437   2HB   ALA  52           HB1      ALA  52  60.892  -0.269   0.351
  438   3HB   ALA  52           HB3      ALA  52  62.506  -0.446  -0.334
  439    H    TYR  53           HN       TYR  53  60.225   1.549  -2.878
  440    HA   TYR  53           HA       TYR  53  57.586   1.920  -2.004
  441   1HB   TYR  53           HB2      TYR  53  58.951   2.631  -4.616
  442   2HB   TYR  53           HB1      TYR  53  57.438   3.357  -4.048
  443    HD1  TYR  53           HD1      TYR  53  57.740   3.600  -1.239
  444    HD2  TYR  53           HD2      TYR  53  60.687   4.212  -4.287
  445    HE1  TYR  53           HE1      TYR  53  59.021   5.028   0.313
  446    HE2  TYR  53           HE2      TYR  53  61.975   5.656  -2.744
  447    HH   TYR  53           HH       TYR  53  60.763   7.023  -0.049
  448    H    GLU  54           HN       GLU  54  58.797  -0.383  -4.319
  449    HA   GLU  54           HA       GLU  54  56.290  -0.893  -5.680
  450   1HB   GLU  54           HB2      GLU  54  58.408  -2.963  -5.085
  451   2HB   GLU  54           HB1      GLU  54  57.437  -2.779  -6.545
  452   1HG   GLU  54           HG2      GLU  54  58.887  -0.362  -6.180
  453   2HG   GLU  54           HG1      GLU  54  60.016  -1.698  -5.979
  454    H    VAL  55           HN       VAL  55  57.681  -1.627  -2.601
  455    HA   VAL  55           HA       VAL  55  55.548  -3.579  -1.975
  456    HB   VAL  55           HB       VAL  55  58.338  -3.276  -1.384
  457   1HG1  VAL  55          HG11      VAL  55  56.564  -2.778   0.935
  458   2HG1  VAL  55          HG13      VAL  55  57.829  -3.972   1.170
  459   3HG1  VAL  55          HG12      VAL  55  58.246  -2.338   0.682
  460   1HG2  VAL  55          HG23      VAL  55  56.760  -5.341  -1.813
  461   2HG2  VAL  55          HG22      VAL  55  58.226  -5.514  -0.861
  462   3HG2  VAL  55          HG21      VAL  55  56.666  -5.358  -0.059
  463    H    LEU  56           HN       LEU  56  56.956  -0.508  -0.963
  464    HA   LEU  56           HA       LEU  56  54.831  -0.159   1.066
  465   1HB   LEU  56           HB2      LEU  56  56.190   2.295   0.772
  466   2HB   LEU  56           HB1      LEU  56  56.439   1.091   2.031
  467    HG   LEU  56           HG       LEU  56  57.831   0.762  -0.601
  468   1HD1  LEU  56          HD13      LEU  56  58.079   3.140   0.494
  469   2HD1  LEU  56          HD12      LEU  56  59.187   2.281   1.563
  470   3HD1  LEU  56          HD11      LEU  56  59.471   2.298  -0.175
  471   1HD2  LEU  56          HD22      LEU  56  57.743  -0.732   1.674
  472   2HD2  LEU  56          HD21      LEU  56  59.114  -0.725   0.566
  473   3HD2  LEU  56          HD23      LEU  56  59.140   0.290   2.007
  474    H    THR  57           HN       THR  57  54.965   0.257  -2.245
  475    HA   THR  57           HA       THR  57  52.631   2.088  -2.136
  476    HB   THR  57           HB       THR  57  53.628   3.805  -3.372
  477    HG1  THR  57           HG1      THR  57  55.638   3.388  -4.514
  478   1HG2  THR  57          HG21      THR  57  55.886   2.574  -1.765
  479   2HG2  THR  57          HG23      THR  57  55.919   4.207  -2.429
  480   3HG2  THR  57          HG22      THR  57  54.727   3.776  -1.202
  481    H    ASP  58           HN       ASP  58  53.059  -0.777  -2.951
  482    HA   ASP  58           HA       ASP  58  51.744  -0.585  -5.596
  483   1HB   ASP  58           HB2      ASP  58  54.517  -1.134  -5.243
  484   2HB   ASP  58           HB1      ASP  58  53.739  -2.626  -5.777
  485    H    SER  59           HN       SER  59  50.023  -1.766  -5.428
  486    HA   SER  59           HA       SER  59  49.218  -3.414  -3.457
  487   1HB   SER  59           HB2      SER  59  48.790  -3.668  -6.434
  488   2HB   SER  59           HB1      SER  59  47.832  -4.555  -5.251
  489    HG   SER  59           HG       SER  59  46.691  -2.803  -5.126
  490    H    GLN  60           HN       GLN  60  51.154  -4.537  -6.246
  491    HA   GLN  60           HA       GLN  60  51.216  -7.300  -5.543
  492   1HB   GLN  60           HB2      GLN  60  51.935  -6.443  -7.704
  493   2HB   GLN  60           HB1      GLN  60  53.211  -5.492  -6.946
  494   1HG   GLN  60           HG2      GLN  60  53.730  -8.027  -5.994
  495   2HG   GLN  60           HG1      GLN  60  53.170  -8.349  -7.635
  496   1HE2  GLN  60          HE22      GLN  60  56.504  -7.674  -8.637
  497   2HE2  GLN  60          HE21      GLN  60  55.295  -8.854  -8.480
  498    H    LYS  61           HN       LYS  61  54.302  -5.682  -5.440
  499    HA   LYS  61           HA       LYS  61  55.454  -7.068  -3.320
  500   1HB   LYS  61           HB2      LYS  61  55.923  -4.799  -4.969
  501   2HB   LYS  61           HB1      LYS  61  56.329  -4.355  -3.323
  502   1HG   LYS  61           HG2      LYS  61  58.229  -5.384  -4.616
  503   2HG   LYS  61           HG1      LYS  61  57.849  -6.191  -3.095
  504   1HD   LYS  61           HD2      LYS  61  56.186  -7.348  -5.092
  505   2HD   LYS  61           HD1      LYS  61  57.822  -7.289  -5.748
  506   1HE   LYS  61           HE2      LYS  61  57.484  -8.220  -2.919
  507   2HE   LYS  61           HE1      LYS  61  57.064  -9.338  -4.232
  508   1HZ   LYS  61           HZ3      LYS  61  59.595  -7.790  -4.130
  509   2HZ   LYS  61           HZ2      LYS  61  59.455  -9.393  -3.586
  510   3HZ   LYS  61           HZ1      LYS  61  59.191  -9.022  -5.222
  511    H    ARG  62           HN       ARG  62  53.164  -4.342  -3.033
  512    HA   ARG  62           HA       ARG  62  53.740  -4.024  -0.180
  513   1HB   ARG  62           HB2      ARG  62  52.219  -2.272  -0.311
  514   2HB   ARG  62           HB1      ARG  62  52.680  -2.396  -2.005
  515   1HG   ARG  62           HG2      ARG  62  50.725  -3.831  -2.434
  516   2HG   ARG  62           HG1      ARG  62  50.274  -3.731  -0.737
  517   1HD   ARG  62           HD2      ARG  62  50.443  -1.093  -1.259
  518   2HD   ARG  62           HD1      ARG  62  50.004  -1.673  -2.878
  519    HE   ARG  62           HE       ARG  62  47.980  -2.647  -1.938
  520   1HH1  ARG  62          HH21      ARG  62  50.066  -1.570   0.543
  521   2HH1  ARG  62          HH22      ARG  62  48.789  -1.117   1.623
  522   1HH2  ARG  62          HH11      ARG  62  46.264  -1.773  -0.660
  523   2HH2  ARG  62          HH12      ARG  62  46.638  -1.234   0.943
  524    H    ALA  63           HN       ALA  63  51.766  -6.119  -2.091
  525    HA   ALA  63           HA       ALA  63  49.625  -6.829  -0.458
  526   1HB   ALA  63           HB3      ALA  63  50.631  -7.764  -2.729
  527   2HB   ALA  63           HB2      ALA  63  51.388  -8.948  -1.664
  528   3HB   ALA  63           HB1      ALA  63  49.630  -8.807  -1.719
  529    H    ALA  64           HN       ALA  64  53.023  -7.870  -0.211
  530    HA   ALA  64           HA       ALA  64  52.938  -9.655   1.934
  531   1HB   ALA  64           HB3      ALA  64  54.894  -8.754   0.551
  532   2HB   ALA  64           HB2      ALA  64  54.890  -7.353   1.624
  533   3HB   ALA  64           HB1      ALA  64  55.223  -8.959   2.271
  534    H    TYR  65           HN       TYR  65  52.512  -6.184   1.873
  535    HA   TYR  65           HA       TYR  65  52.708  -5.525   4.629
  536   1HB   TYR  65           HB2      TYR  65  52.508  -4.049   2.559
  537   2HB   TYR  65           HB1      TYR  65  50.790  -4.448   2.536
  538    HD1  TYR  65           HD2      TYR  65  49.615  -4.202   4.960
  539    HD2  TYR  65           HD1      TYR  65  53.081  -2.049   3.621
  540    HE1  TYR  65           HE2      TYR  65  49.139  -2.417   6.609
  541    HE2  TYR  65           HE1      TYR  65  52.602  -0.258   5.266
  542    HH   TYR  65           HH       TYR  65  50.841  -0.541   7.828
  543    H    ASP  66           HN       ASP  66  50.052  -6.826   2.703
  544    HA   ASP  66           HA       ASP  66  48.127  -6.738   4.914
  545   1HB   ASP  66           HB2      ASP  66  46.602  -7.409   3.243
  546   2HB   ASP  66           HB1      ASP  66  47.804  -6.505   2.324
  547    H    GLN  67           HN       GLN  67  50.586  -8.843   3.820
  548    HA   GLN  67           HA       GLN  67  49.385 -11.178   5.257
  549   1HB   GLN  67           HB2      GLN  67  51.494 -10.827   3.112
  550   2HB   GLN  67           HB1      GLN  67  51.266 -12.360   3.956
  551   1HG   GLN  67           HG2      GLN  67  48.682 -11.626   3.242
  552   2HG   GLN  67           HG1      GLN  67  49.646 -11.147   1.845
  553   1HE2  GLN  67          HE22      GLN  67  49.128 -15.100   2.685
  554   2HE2  GLN  67          HE21      GLN  67  48.533 -13.904   3.735
  555    H    TYR  68           HN       TYR  68  51.270  -8.613   5.942
  556    HA   TYR  68           HA       TYR  68  52.925  -8.186   7.567
  557   1HB   TYR  68           HB2      TYR  68  51.620 -10.782   8.333
  558   2HB   TYR  68           HB1      TYR  68  52.977 -10.174   9.289
  559    HD1  TYR  68           HD1      TYR  68  52.812  -8.050  10.506
  560    HD2  TYR  68           HD2      TYR  68  49.488  -9.609   8.277
  561    HE1  TYR  68           HE1      TYR  68  51.295  -6.465  11.662
  562    HE2  TYR  68           HE2      TYR  68  47.970  -8.023   9.435
  563    HH   TYR  68           HH       TYR  68  48.871  -6.310  12.207
  564    H    GLY  69           HN       GLY  69  53.775  -9.392   5.044
  565   1HA   GLY  69           HA2      GLY  69  56.070  -9.889   4.442
  566   2HA   GLY  69           HA1      GLY  69  56.281 -10.662   6.015
  567    H    HIS  70           HN       HIS  70  57.127 -12.190   4.014
  568    HA   HIS  70           HA       HIS  70  54.973 -13.839   2.905
  569   1HB   HIS  70           HB2      HIS  70  56.943 -15.096   1.982
  570   2HB   HIS  70           HB1      HIS  70  57.009 -13.365   1.638
  571    HD1  HIS  70           HD1      HIS  70  58.322 -15.808   4.262
  572    HD2  HIS  70           HD2      HIS  70  59.363 -12.185   2.481
  573    HE1  HIS  70           HE1      HIS  70  60.609 -15.197   5.165
  574    H    ALA  71           HN       ALA  71  55.983 -13.608   5.955
  575    HA   ALA  71           HA       ALA  71  56.591 -16.395   6.605
  576   1HB   ALA  71           HB1      ALA  71  57.278 -14.171   7.768
  577   2HB   ALA  71           HB3      ALA  71  55.675 -14.233   8.501
  578   3HB   ALA  71           HB2      ALA  71  56.831 -15.532   8.795
  579    H    ALA  72           HN       ALA  72  53.737 -14.291   6.659
  580    HA   ALA  72           HA       ALA  72  51.975 -15.905   8.187
  581   1HB   ALA  72           HB1      ALA  72  51.559 -14.056   5.818
  582   2HB   ALA  72           HB3      ALA  72  50.239 -14.682   6.806
  583   3HB   ALA  72           HB2      ALA  72  51.459 -13.632   7.528
  584    H    PHE  73           HN       PHE  73  53.254 -16.353   4.986
  585    HA   PHE  73           HA       PHE  73  51.406 -18.684   4.582
  586   1HB   PHE  73           HB2      PHE  73  51.954 -16.351   3.017
  587   2HB   PHE  73           HB1      PHE  73  52.576 -17.752   2.141
  588    HD1  PHE  73           HD2      PHE  73  49.585 -16.998   4.294
  589    HD2  PHE  73           HD1      PHE  73  51.077 -18.685   0.637
  590    HE1  PHE  73           HE2      PHE  73  47.274 -17.618   3.639
  591    HE2  PHE  73           HE1      PHE  73  48.767 -19.305  -0.019
  592    HZ   PHE  73           HZ       PHE  73  46.866 -18.770   1.482
  593    H    GLU  74           HN       GLU  74  54.430 -18.014   5.538
  594    HA   GLU  74           HA       GLU  74  56.539 -19.077   5.310
  595   1HB   GLU  74           HB2      GLU  74  54.588 -21.359   4.850
  596   2HB   GLU  74           HB1      GLU  74  56.250 -21.526   5.418
  597   1HG   GLU  74           HG2      GLU  74  55.230 -19.670   7.175
  598   2HG   GLU  74           HG1      GLU  74  53.840 -20.721   6.899
  599    H    GLN  75           HN       GLN  75  56.663 -21.621   3.597
  600    HA   GLN  75           HA       GLN  75  57.809 -20.532   1.248
  601   1HB   GLN  75           HB2      GLN  75  57.111 -23.094   2.401
  602   2HB   GLN  75           HB1      GLN  75  56.798 -23.107   0.665
  603   1HG   GLN  75           HG2      GLN  75  59.014 -22.830   0.120
  604   2HG   GLN  75           HG1      GLN  75  59.358 -21.876   1.564
  605   1HE2  GLN  75          HE22      GLN  75  60.142 -24.706   3.579
  606   2HE2  GLN  75          HE21      GLN  75  59.741 -23.057   3.597
  607    H    GLY  76           HN       GLY  76  56.726 -21.625  -0.980
  608   1HA   GLY  76           HA2      GLY  76  53.841 -21.179  -1.138
  609   2HA   GLY  76           HA1      GLY  76  54.790 -19.911  -1.916
  610    H    GLY  77           HN       GLY  77  53.000 -21.833  -3.218
  611   1HA   GLY  77           HA2      GLY  77  54.485 -23.931  -4.483
  612   2HA   GLY  77           HA1      GLY  77  52.988 -23.233  -5.102
   
  No H/Q in entry =         612
  Start of MODEL   13
    1   1H    ALA   1           HT3      ALA   1  69.648 -14.178  -0.084
    2   2H    ALA   1           HT2      ALA   1  71.139 -14.218  -0.895
    3   3H    ALA   1           HT1      ALA   1  71.065 -14.553   0.768
    4    HA   ALA   1           HA       ALA   1  71.862 -12.364   0.682
    5   1HB   ALA   1           HB3      ALA   1  70.316 -12.516  -1.776
    6   2HB   ALA   1           HB2      ALA   1  70.009 -10.998  -0.932
    7   3HB   ALA   1           HB1      ALA   1  71.657 -11.443  -1.373
    8    H    LYS   2           HN       LYS   2  71.197 -11.721   2.695
    9    HA   LYS   2           HA       LYS   2  68.373 -11.787   3.488
   10   1HB   LYS   2           HB2      LYS   2  70.702 -12.171   4.769
   11   2HB   LYS   2           HB1      LYS   2  70.505 -10.450   5.098
   12   1HG   LYS   2           HG2      LYS   2  68.009 -11.901   5.481
   13   2HG   LYS   2           HG1      LYS   2  69.297 -12.547   6.498
   14   1HD   LYS   2           HD2      LYS   2  69.106  -9.586   6.354
   15   2HD   LYS   2           HD1      LYS   2  67.803 -10.409   7.213
   16   1HE   LYS   2           HE2      LYS   2  69.327 -10.189   8.955
   17   2HE   LYS   2           HE1      LYS   2  69.891 -11.732   8.283
   18   1HZ   LYS   2           HZ3      LYS   2  70.847  -9.136   7.237
   19   2HZ   LYS   2           HZ2      LYS   2  71.614  -9.896   8.549
   20   3HZ   LYS   2           HZ1      LYS   2  71.541 -10.670   7.038
   21    H    GLN   3           HN       GLN   3  67.012 -10.113   2.998
   22    HA   GLN   3           HA       GLN   3  67.712  -7.351   3.542
   23   1HB   GLN   3           HB2      GLN   3  67.668  -6.639   1.141
   24   2HB   GLN   3           HB1      GLN   3  69.022  -7.709   1.505
   25   1HG   GLN   3           HG2      GLN   3  67.609  -9.641   0.711
   26   2HG   GLN   3           HG1      GLN   3  66.408  -8.466   0.175
   27   1HE2  GLN   3          HE22      GLN   3  69.257  -7.092  -2.014
   28   2HE2  GLN   3          HE21      GLN   3  68.634  -6.506  -0.549
   29    H    ASP   4           HN       ASP   4  65.840  -6.013   3.434
   30    HA   ASP   4           HA       ASP   4  63.360  -7.014   2.189
   31   1HB   ASP   4           HB2      ASP   4  62.686  -6.399   4.903
   32   2HB   ASP   4           HB1      ASP   4  62.495  -7.937   4.066
   33    H    TYR   5           HN       TYR   5  62.795  -5.281   1.166
   34    HA   TYR   5           HA       TYR   5  63.408  -2.640   1.461
   35   1HB   TYR   5           HB2      TYR   5  60.607  -2.715   0.921
   36   2HB   TYR   5           HB1      TYR   5  61.946  -2.495  -0.195
   37    HD1  TYR   5           HD1      TYR   5  59.897  -5.077   1.497
   38    HD2  TYR   5           HD2      TYR   5  62.651  -4.163  -1.658
   39    HE1  TYR   5           HE1      TYR   5  59.530  -7.333   0.525
   40    HE2  TYR   5           HE2      TYR   5  62.287  -6.411  -2.643
   41    HH   TYR   5           HH       TYR   5  60.416  -8.863  -0.957
   42    H    TYR   6           HN       TYR   6  60.414  -3.937   3.009
   43    HA   TYR   6           HA       TYR   6  59.816  -1.705   4.591
   44   1HB   TYR   6           HB2      TYR   6  59.528  -4.664   4.924
   45   2HB   TYR   6           HB1      TYR   6  59.041  -3.585   6.237
   46    HD1  TYR   6           HD2      TYR   6  57.467  -1.656   5.707
   47    HD2  TYR   6           HD1      TYR   6  58.136  -4.931   3.010
   48    HE1  TYR   6           HE2      TYR   6  55.375  -1.091   4.504
   49    HE2  TYR   6           HE1      TYR   6  56.040  -4.365   1.804
   50    HH   TYR   6           HH       TYR   6  54.147  -1.487   2.690
   51    H    GLU   7           HN       GLU   7  62.359  -4.065   4.912
   52    HA   GLU   7           HA       GLU   7  63.274  -2.981   7.519
   53   1HB   GLU   7           HB2      GLU   7  63.314  -5.450   6.380
   54   2HB   GLU   7           HB1      GLU   7  64.906  -4.867   5.889
   55   1HG   GLU   7           HG2      GLU   7  64.936  -4.090   8.472
   56   2HG   GLU   7           HG1      GLU   7  63.874  -5.493   8.606
   57    H    ILE   8           HN       ILE   8  64.006  -2.882   4.069
   58    HA   ILE   8           HA       ILE   8  66.572  -1.787   3.986
   59    HB   ILE   8           HB       ILE   8  64.091  -1.323   2.356
   60   1HG1  ILE   8          HG12      ILE   8  65.264  -3.600   2.448
   61   2HG1  ILE   8          HG11      ILE   8  65.103  -2.902   0.836
   62   1HG2  ILE   8          HG22      ILE   8  66.513   0.211   2.349
   63   2HG2  ILE   8          HG21      ILE   8  66.409  -0.709   0.847
   64   3HG2  ILE   8          HG23      ILE   8  65.099   0.378   1.307
   65   1HD1  ILE   8          HD12      ILE   8  67.528  -1.954   2.058
   66   2HD1  ILE   8          HD11      ILE   8  67.481  -3.716   2.119
   67   3HD1  ILE   8          HD13      ILE   8  67.327  -2.882   0.572
   68    H    LEU   9           HN       LEU   9  63.452  -0.189   4.402
   69    HA   LEU   9           HA       LEU   9  64.654   2.482   4.837
   70   1HB   LEU   9           HB2      LEU   9  61.846   1.338   4.960
   71   2HB   LEU   9           HB1      LEU   9  62.240   3.057   4.943
   72    HG   LEU   9           HG       LEU   9  63.132   1.124   2.802
   73   1HD1  LEU   9          HD12      LEU   9  60.638   2.785   3.049
   74   2HD1  LEU   9          HD11      LEU   9  61.280   2.341   1.468
   75   3HD1  LEU   9          HD13      LEU   9  60.779   1.085   2.602
   76   1HD2  LEU   9          HD23      LEU   9  63.317   4.061   3.297
   77   2HD2  LEU   9          HD22      LEU   9  64.471   2.981   2.515
   78   3HD2  LEU   9          HD21      LEU   9  63.053   3.544   1.632
   79    H    GLY  10           HN       GLY  10  64.706  -0.164   6.658
   80   1HA   GLY  10           HA2      GLY  10  64.894  -0.568   8.949
   81   2HA   GLY  10           HA1      GLY  10  64.979   1.181   9.160
   82    H    VAL  11           HN       VAL  11  62.217  -0.359   7.595
   83    HA   VAL  11           HA       VAL  11  60.597   0.468   9.988
   84    HB   VAL  11           HB       VAL  11  59.039   0.021   7.616
   85   1HG1  VAL  11          HG13      VAL  11  59.741   2.458   9.250
   86   2HG1  VAL  11          HG12      VAL  11  58.509   2.438   7.987
   87   3HG1  VAL  11          HG11      VAL  11  58.319   1.427   9.421
   88   1HG2  VAL  11          HG22      VAL  11  61.563   1.566   7.232
   89   2HG2  VAL  11          HG21      VAL  11  60.673   0.550   6.096
   90   3HG2  VAL  11          HG23      VAL  11  60.087   2.164   6.488
   91    H    SER  12           HN       SER  12  58.347  -0.768   9.807
   92    HA   SER  12           HA       SER  12  58.968  -3.628  10.072
   93   1HB   SER  12           HB2      SER  12  56.390  -2.099  10.460
   94   2HB   SER  12           HB1      SER  12  56.768  -3.696  11.098
   95    HG   SER  12           HG       SER  12  58.471  -2.690  12.289
   96    H    LYS  13           HN       LYS  13  57.937  -5.269   8.823
   97    HA   LYS  13           HA       LYS  13  57.557  -4.822   6.085
   98   1HB   LYS  13           HB2      LYS  13  56.362  -6.983   6.156
   99   2HB   LYS  13           HB1      LYS  13  57.854  -7.001   7.097
  100   1HG   LYS  13           HG2      LYS  13  56.746  -7.346   9.043
  101   2HG   LYS  13           HG1      LYS  13  55.552  -6.104   8.668
  102   1HD   LYS  13           HD2      LYS  13  54.366  -7.691   7.189
  103   2HD   LYS  13           HD1      LYS  13  55.552  -8.937   7.583
  104   1HE   LYS  13           HE2      LYS  13  54.813  -8.165  10.093
  105   2HE   LYS  13           HE1      LYS  13  53.294  -7.917   9.209
  106   1HZ   LYS  13           HZ1      LYS  13  54.891 -10.340   8.719
  107   2HZ   LYS  13           HZ3      LYS  13  53.881 -10.276  10.080
  108   3HZ   LYS  13           HZ2      LYS  13  53.222 -10.099   8.524
  109    H    THR  14           HN       THR  14  55.494  -4.120   8.742
  110    HA   THR  14           HA       THR  14  53.220  -3.509   6.904
  111    HB   THR  14           HB       THR  14  51.830  -3.938   8.763
  112    HG1  THR  14           HG1      THR  14  52.384  -3.412  10.731
  113   1HG2  THR  14          HG23      THR  14  53.728  -5.819   8.076
  114   2HG2  THR  14          HG22      THR  14  53.884  -5.746   9.830
  115   3HG2  THR  14          HG21      THR  14  52.325  -6.125   9.099
  116    H    ALA  15           HN       ALA  15  55.810  -1.932   7.704
  117    HA   ALA  15           HA       ALA  15  55.330   0.290   9.307
  118   1HB   ALA  15           HB1      ALA  15  56.760   0.014   6.664
  119   2HB   ALA  15           HB3      ALA  15  57.040   1.290   7.843
  120   3HB   ALA  15           HB2      ALA  15  57.414  -0.379   8.253
  121    H    GLU  16           HN       GLU  16  55.804   2.210   6.978
  122    HA   GLU  16           HA       GLU  16  53.240   2.478   5.607
  123   1HB   GLU  16           HB2      GLU  16  53.856   3.766   8.191
  124   2HB   GLU  16           HB1      GLU  16  53.281   4.886   6.952
  125   1HG   GLU  16           HG2      GLU  16  51.731   2.424   6.955
  126   2HG   GLU  16           HG1      GLU  16  51.698   3.204   8.537
  127    H    GLU  17           HN       GLU  17  53.722   3.483   3.713
  128    HA   GLU  17           HA       GLU  17  56.094   4.198   2.638
  129   1HB   GLU  17           HB2      GLU  17  54.775   5.902   1.309
  130   2HB   GLU  17           HB1      GLU  17  54.033   4.307   1.412
  131   1HG   GLU  17           HG2      GLU  17  52.959   5.460   3.619
  132   2HG   GLU  17           HG1      GLU  17  53.150   6.881   2.592
  133    H    ARG  18           HN       ARG  18  54.182   6.476   4.641
  134    HA   ARG  18           HA       ARG  18  55.792   8.764   4.413
  135   1HB   ARG  18           HB2      ARG  18  54.874   9.158   6.813
  136   2HB   ARG  18           HB1      ARG  18  53.707   8.921   5.513
  137   1HG   ARG  18           HG2      ARG  18  52.856   7.149   6.605
  138   2HG   ARG  18           HG1      ARG  18  54.418   6.339   6.507
  139   1HD   ARG  18           HD2      ARG  18  54.531   6.520   8.768
  140   2HD   ARG  18           HD1      ARG  18  54.729   8.269   8.536
  141    HE   ARG  18           HE       ARG  18  52.018   7.954   8.278
  142   1HH1  ARG  18          HH21      ARG  18  52.649   5.456  10.011
  143   2HH1  ARG  18          HH22      ARG  18  52.280   6.078  11.586
  144   1HH2  ARG  18          HH11      ARG  18  52.266   9.392  10.562
  145   2HH2  ARG  18          HH12      ARG  18  52.062   8.306  11.897
  146    H    GLU  19           HN       GLU  19  56.209   6.117   6.756
  147    HA   GLU  19           HA       GLU  19  58.644   7.296   7.850
  148   1HB   GLU  19           HB2      GLU  19  58.540   5.141   9.176
  149   2HB   GLU  19           HB1      GLU  19  57.100   6.132   9.325
  150   1HG   GLU  19           HG2      GLU  19  55.861   4.727   7.863
  151   2HG   GLU  19           HG1      GLU  19  57.316   3.924   7.273
  152    H    ILE  20           HN       ILE  20  57.616   5.193   5.343
  153    HA   ILE  20           HA       ILE  20  60.106   3.690   5.044
  154    HB   ILE  20           HB       ILE  20  57.416   3.915   3.885
  155   1HG1  ILE  20          HG12      ILE  20  57.823   1.490   3.460
  156   2HG1  ILE  20          HG11      ILE  20  59.483   1.702   4.001
  157   1HG2  ILE  20          HG23      ILE  20  59.711   4.035   2.036
  158   2HG2  ILE  20          HG22      ILE  20  58.629   2.696   1.733
  159   3HG2  ILE  20          HG21      ILE  20  58.003   4.337   1.732
  160   1HD1  ILE  20          HD13      ILE  20  58.346   2.752   6.125
  161   2HD1  ILE  20          HD12      ILE  20  56.943   1.836   5.577
  162   3HD1  ILE  20          HD11      ILE  20  58.447   1.000   5.957
  163    H    ARG  21           HN       ARG  21  58.459   6.346   3.316
  164    HA   ARG  21           HA       ARG  21  60.635   7.007   1.568
  165   1HB   ARG  21           HB2      ARG  21  59.390   9.174   1.395
  166   2HB   ARG  21           HB1      ARG  21  58.313   7.785   1.262
  167   1HG   ARG  21           HG2      ARG  21  57.155   9.069   2.806
  168   2HG   ARG  21           HG1      ARG  21  58.137   8.079   3.880
  169   1HD   ARG  21           HD2      ARG  21  58.745  10.105   4.768
  170   2HD   ARG  21           HD1      ARG  21  59.850  10.157   3.381
  171    HE   ARG  21           HE       ARG  21  58.463  11.812   2.434
  172   1HH1  ARG  21          HH11      ARG  21  57.242  11.322   5.440
  173   2HH1  ARG  21          HH12      ARG  21  55.583  11.634   5.052
  174   1HH2  ARG  21          HH21      ARG  21  56.109  11.621   1.625
  175   2HH2  ARG  21          HH22      ARG  21  54.943  11.803   2.891
  176    H    LYS  22           HN       LYS  22  59.722   7.949   4.809
  177    HA   LYS  22           HA       LYS  22  61.549  10.026   5.354
  178   1HB   LYS  22           HB2      LYS  22  59.761   9.545   6.857
  179   2HB   LYS  22           HB1      LYS  22  60.194   7.837   6.946
  180   1HG   LYS  22           HG2      LYS  22  60.854   9.273   8.969
  181   2HG   LYS  22           HG1      LYS  22  62.131   8.284   8.263
  182   1HD   LYS  22           HD2      LYS  22  63.077  10.465   8.617
  183   2HD   LYS  22           HD1      LYS  22  62.793  10.325   6.884
  184   1HE   LYS  22           HE2      LYS  22  61.274  12.017   6.900
  185   2HE   LYS  22           HE1      LYS  22  60.461  11.373   8.340
  186   1HZ   LYS  22           HZ2      LYS  22  63.077  12.785   8.345
  187   2HZ   LYS  22           HZ1      LYS  22  61.597  13.484   8.801
  188   3HZ   LYS  22           HZ3      LYS  22  62.245  12.208   9.710
  189    H    ALA  23           HN       ALA  23  61.916   6.526   6.020
  190    HA   ALA  23           HA       ALA  23  64.500   6.511   7.107
  191   1HB   ALA  23           HB3      ALA  23  63.128   4.574   5.233
  192   2HB   ALA  23           HB2      ALA  23  64.529   4.174   6.223
  193   3HB   ALA  23           HB1      ALA  23  62.994   4.586   6.990
  194    H    TYR  24           HN       TYR  24  63.562   6.356   3.672
  195    HA   TYR  24           HA       TYR  24  66.276   6.212   2.679
  196   1HB   TYR  24           HB2      TYR  24  64.110   5.483   1.547
  197   2HB   TYR  24           HB1      TYR  24  63.741   7.186   1.307
  198    HD1  TYR  24           HD2      TYR  24  67.070   5.505   1.129
  199    HD2  TYR  24           HD1      TYR  24  63.920   7.481  -1.019
  200    HE1  TYR  24           HE2      TYR  24  68.487   5.553  -0.906
  201    HE2  TYR  24           HE1      TYR  24  65.336   7.530  -3.053
  202    HH   TYR  24           HH       TYR  24  67.489   7.295  -3.799
  203    H    LYS  25           HN       LYS  25  63.813   8.732   3.002
  204    HA   LYS  25           HA       LYS  25  65.218  10.984   2.064
  205   1HB   LYS  25           HB2      LYS  25  62.924  10.248   3.640
  206   2HB   LYS  25           HB1      LYS  25  63.715  11.626   4.388
  207   1HG   LYS  25           HG2      LYS  25  62.757  12.958   2.839
  208   2HG   LYS  25           HG1      LYS  25  63.717  12.139   1.605
  209   1HD   LYS  25           HD2      LYS  25  61.928  10.334   1.571
  210   2HD   LYS  25           HD1      LYS  25  60.946  11.404   2.571
  211   1HE   LYS  25           HE2      LYS  25  60.431  11.648   0.129
  212   2HE   LYS  25           HE1      LYS  25  61.049  13.155   0.832
  213   1HZ   LYS  25           HZ3      LYS  25  62.962  11.186  -0.209
  214   2HZ   LYS  25           HZ2      LYS  25  62.132  12.168  -1.319
  215   3HZ   LYS  25           HZ1      LYS  25  63.100  12.874  -0.114
  216    H    ARG  26           HN       ARG  26  65.533   9.130   5.012
  217    HA   ARG  26           HA       ARG  26  67.085  11.098   6.482
  218   1HB   ARG  26           HB2      ARG  26  66.188   8.269   6.743
  219   2HB   ARG  26           HB1      ARG  26  67.513   8.814   7.776
  220   1HG   ARG  26           HG2      ARG  26  66.164  10.666   8.601
  221   2HG   ARG  26           HG1      ARG  26  64.852  10.235   7.502
  222   1HD   ARG  26           HD2      ARG  26  64.493   9.388   9.836
  223   2HD   ARG  26           HD1      ARG  26  64.575   8.082   8.636
  224    HE   ARG  26           HE       ARG  26  66.699   7.454   9.510
  225   1HH1  ARG  26          HH11      ARG  26  65.150   9.535  11.595
  226   2HH1  ARG  26          HH12      ARG  26  66.575  10.086  12.410
  227   1HH2  ARG  26          HH21      ARG  26  68.756   8.572  10.178
  228   2HH2  ARG  26          HH22      ARG  26  68.619   9.537  11.609
  229    H    LEU  27           HN       LEU  27  67.895   7.970   4.922
  230    HA   LEU  27           HA       LEU  27  70.771   8.406   5.233
  231   1HB   LEU  27           HB2      LEU  27  70.918   6.226   4.260
  232   2HB   LEU  27           HB1      LEU  27  69.451   6.206   5.235
  233    HG   LEU  27           HG       LEU  27  68.242   6.908   3.060
  234   1HD1  LEU  27          HD12      LEU  27  70.916   6.812   2.129
  235   2HD1  LEU  27          HD11      LEU  27  70.095   5.422   1.418
  236   3HD1  LEU  27          HD13      LEU  27  69.458   7.047   1.164
  237   1HD2  LEU  27          HD22      LEU  27  68.945   4.410   4.211
  238   2HD2  LEU  27          HD21      LEU  27  67.546   4.774   3.201
  239   3HD2  LEU  27          HD23      LEU  27  69.048   4.218   2.462
  240    H    ALA  28           HN       ALA  28  68.361   8.621   2.683
  241    HA   ALA  28           HA       ALA  28  70.081   9.032   0.466
  242   1HB   ALA  28           HB3      ALA  28  67.642   8.468   0.509
  243   2HB   ALA  28           HB2      ALA  28  67.306  10.108   1.060
  244   3HB   ALA  28           HB1      ALA  28  67.996   9.839  -0.541
  245    H    MET  29           HN       MET  29  68.558  11.342   2.735
  246    HA   MET  29           HA       MET  29  69.734  13.678   1.462
  247   1HB   MET  29           HB2      MET  29  68.820  14.821   3.369
  248   2HB   MET  29           HB1      MET  29  67.700  13.500   3.033
  249   1HG   MET  29           HG2      MET  29  67.975  13.030   5.246
  250   2HG   MET  29           HG1      MET  29  69.460  12.258   4.696
  251   1HE   MET  29           HE1      MET  29  67.596  14.963   6.012
  252   2HE   MET  29           HE3      MET  29  68.450  14.910   7.560
  253   3HE   MET  29           HE2      MET  29  68.664  16.284   6.478
  254    H    LYS  30           HN       LYS  30  70.747  11.271   3.765
  255    HA   LYS  30           HA       LYS  30  73.117  12.800   4.658
  256   1HB   LYS  30           HB2      LYS  30  71.570  10.421   5.408
  257   2HB   LYS  30           HB1      LYS  30  73.310  10.164   5.527
  258   1HG   LYS  30           HG2      LYS  30  73.523  11.588   7.284
  259   2HG   LYS  30           HG1      LYS  30  72.403  12.760   6.587
  260   1HD   LYS  30           HD2      LYS  30  70.517  11.674   7.463
  261   2HD   LYS  30           HD1      LYS  30  71.373  10.146   7.668
  262   1HE   LYS  30           HE2      LYS  30  71.882  10.714   9.799
  263   2HE   LYS  30           HE1      LYS  30  72.713  12.171   9.219
  264   1HZ   LYS  30           HZ3      LYS  30  69.795  12.169   9.129
  265   2HZ   LYS  30           HZ2      LYS  30  70.511  12.304  10.664
  266   3HZ   LYS  30           HZ1      LYS  30  70.865  13.444   9.456
  267    H    TYR  31           HN       TYR  31  72.236  10.635   2.122
  268    HA   TYR  31           HA       TYR  31  75.128  10.097   1.546
  269   1HB   TYR  31           HB2      TYR  31  72.621   8.485   1.389
  270   2HB   TYR  31           HB1      TYR  31  73.866   8.185   0.173
  271    HD1  TYR  31           HD1      TYR  31  76.372   8.520   1.506
  272    HD2  TYR  31           HD2      TYR  31  72.729   6.858   3.056
  273    HE1  TYR  31           HE1      TYR  31  77.671   7.237   3.179
  274    HE2  TYR  31           HE2      TYR  31  74.026   5.573   4.727
  275    HH   TYR  31           HH       TYR  31  76.696   4.691   4.704
  276    H    HIS  32           HN       HIS  32  72.817  12.086   0.678
  277    HA   HIS  32           HA       HIS  32  72.441  11.918  -2.116
  278   1HB   HIS  32           HB2      HIS  32  71.763  14.234  -1.727
  279   2HB   HIS  32           HB1      HIS  32  71.315  13.266  -0.340
  280    HD1  HIS  32           HD1      HIS  32  72.241  16.425  -0.450
  281    HD2  HIS  32           HD2      HIS  32  74.347  13.174   1.086
  282    HE1  HIS  32           HE1      HIS  32  73.896  17.374   1.215
  283    HA   PRO  33           HA       PRO  33  76.092  13.530  -3.911
  284   1HB   PRO  33           HB2      PRO  33  76.192  16.252  -4.245
  285   2HB   PRO  33           HB1      PRO  33  75.232  15.161  -5.264
  286   1HG   PRO  33           HG2      PRO  33  74.370  16.897  -3.023
  287   2HG   PRO  33           HG1      PRO  33  73.529  16.482  -4.522
  288   1HD   PRO  33           HD2      PRO  33  72.980  15.409  -2.099
  289   2HD   PRO  33           HD1      PRO  33  72.629  14.600  -3.639
  290    H    ASP  34           HN       ASP  34  76.315  13.113  -1.192
  291    HA   ASP  34           HA       ASP  34  78.177  15.196  -0.155
  292   1HB   ASP  34           HB2      ASP  34  77.133  14.602   1.792
  293   2HB   ASP  34           HB1      ASP  34  76.196  13.396   0.921
  294    H    ARG  35           HN       ARG  35  77.844  11.759  -0.909
  295    HA   ARG  35           HA       ARG  35  80.746  11.591  -1.526
  296   1HB   ARG  35           HB2      ARG  35  80.803   9.463  -0.231
  297   2HB   ARG  35           HB1      ARG  35  80.386  10.834   0.798
  298   1HG   ARG  35           HG2      ARG  35  78.778   9.213   1.385
  299   2HG   ARG  35           HG1      ARG  35  77.924  10.230   0.224
  300   1HD   ARG  35           HD2      ARG  35  77.576   8.419  -1.068
  301   2HD   ARG  35           HD1      ARG  35  79.332   8.245  -1.260
  302    HE   ARG  35           HE       ARG  35  77.735   6.960   0.917
  303   1HH1  ARG  35          HH21      ARG  35  79.969   6.505  -1.536
  304   2HH1  ARG  35          HH22      ARG  35  81.047   5.509  -0.618
  305   1HH2  ARG  35          HH11      ARG  35  79.404   6.040   2.390
  306   2HH2  ARG  35          HH12      ARG  35  80.727   5.245   1.604
  307    H    ASN  36           HN       ASN  36  77.411  10.385  -1.884
  308    HA   ASN  36           HA       ASN  36  77.723   8.135  -3.494
  309   1HB   ASN  36           HB2      ASN  36  75.771  10.217  -2.959
  310   2HB   ASN  36           HB1      ASN  36  75.675   9.688  -4.638
  311   1HD2  ASN  36          HD21      ASN  36  73.676   9.096  -2.554
  312   2HD2  ASN  36          HD22      ASN  36  73.633   7.408  -2.387
  313    H    GLN  37           HN       GLN  37  78.304  11.504  -4.295
  314    HA   GLN  37           HA       GLN  37  78.371  11.321  -7.133
  315   1HB   GLN  37           HB2      GLN  37  79.974  13.014  -5.185
  316   2HB   GLN  37           HB1      GLN  37  79.765  13.370  -6.900
  317   1HG   GLN  37           HG2      GLN  37  77.255  12.877  -5.417
  318   2HG   GLN  37           HG1      GLN  37  78.128  14.334  -4.941
  319   1HE2  GLN  37          HE22      GLN  37  76.198  14.234  -8.499
  320   2HE2  GLN  37          HE21      GLN  37  76.138  12.928  -7.416
  321    H    GLY  38           HN       GLY  38  80.416   9.915  -4.761
  322   1HA   GLY  38           HA2      GLY  38  82.438   9.313  -6.888
  323   2HA   GLY  38           HA1      GLY  38  82.920   9.638  -5.221
  324    H    ASP  39           HN       ASP  39  79.993   7.865  -5.900
  325    HA   ASP  39           HA       ASP  39  81.363   5.335  -5.042
  326   1HB   ASP  39           HB2      ASP  39  79.682   6.843  -3.530
  327   2HB   ASP  39           HB1      ASP  39  78.514   5.800  -4.342
  328    H    LYS  40           HN       LYS  40  81.196   3.859  -6.678
  329    HA   LYS  40           HA       LYS  40  79.083   4.103  -8.727
  330   1HB   LYS  40           HB2      LYS  40  81.680   3.552  -8.890
  331   2HB   LYS  40           HB1      LYS  40  81.120   1.909  -8.578
  332   1HG   LYS  40           HG2      LYS  40  80.297   1.699 -10.670
  333   2HG   LYS  40           HG1      LYS  40  79.475   3.257 -10.575
  334   1HD   LYS  40           HD2      LYS  40  81.662   4.388 -11.016
  335   2HD   LYS  40           HD1      LYS  40  82.398   2.800 -11.238
  336   1HE   LYS  40           HE2      LYS  40  81.739   2.858 -13.405
  337   2HE   LYS  40           HE1      LYS  40  80.051   2.852 -12.855
  338   1HZ   LYS  40           HZ1      LYS  40  81.709   5.306 -12.838
  339   2HZ   LYS  40           HZ3      LYS  40  80.785   4.862 -14.189
  340   3HZ   LYS  40           HZ2      LYS  40  80.021   5.179 -12.705
  341    H    GLU  41           HN       GLU  41  79.509   1.025  -8.884
  342    HA   GLU  41           HA       GLU  41  77.556  -0.491  -8.446
  343   1HB   GLU  41           HB2      GLU  41  78.909  -1.633  -6.380
  344   2HB   GLU  41           HB1      GLU  41  79.426  -1.745  -8.062
  345   1HG   GLU  41           HG2      GLU  41  80.855   0.243  -7.766
  346   2HG   GLU  41           HG1      GLU  41  80.339   0.376  -6.088
  347    H    ALA  42           HN       ALA  42  78.791   0.766  -5.295
  348    HA   ALA  42           HA       ALA  42  76.658   0.070  -3.642
  349   1HB   ALA  42           HB1      ALA  42  78.451   2.496  -3.825
  350   2HB   ALA  42           HB3      ALA  42  77.267   2.348  -2.528
  351   3HB   ALA  42           HB2      ALA  42  78.547   1.147  -2.694
  352    H    GLU  43           HN       GLU  43  76.740   2.433  -6.224
  353    HA   GLU  43           HA       GLU  43  74.672   4.217  -5.724
  354   1HB   GLU  43           HB2      GLU  43  75.865   4.034  -7.868
  355   2HB   GLU  43           HB1      GLU  43  75.085   2.481  -8.175
  356   1HG   GLU  43           HG2      GLU  43  72.970   3.446  -8.473
  357   2HG   GLU  43           HG1      GLU  43  73.429   4.941  -7.655
  358    H    ALA  44           HN       ALA  44  74.383   0.828  -6.700
  359    HA   ALA  44           HA       ALA  44  71.614   0.812  -7.050
  360   1HB   ALA  44           HB1      ALA  44  73.589  -1.319  -6.187
  361   2HB   ALA  44           HB3      ALA  44  71.921  -1.686  -6.628
  362   3HB   ALA  44           HB2      ALA  44  73.019  -0.994  -7.824
  363    H    LYS  45           HN       LYS  45  73.294  -0.562  -4.173
  364    HA   LYS  45           HA       LYS  45  71.063  -0.892  -2.543
  365   1HB   LYS  45           HB2      LYS  45  73.276  -1.527  -1.811
  366   2HB   LYS  45           HB1      LYS  45  73.821   0.159  -1.841
  367   1HG   LYS  45           HG2      LYS  45  72.207   0.741  -0.087
  368   2HG   LYS  45           HG1      LYS  45  71.578  -0.906  -0.089
  369   1HD   LYS  45           HD2      LYS  45  74.501  -0.348   0.434
  370   2HD   LYS  45           HD1      LYS  45  73.310  -0.309   1.735
  371   1HE   LYS  45           HE2      LYS  45  73.667  -2.557   1.887
  372   2HE   LYS  45           HE1      LYS  45  72.711  -2.677   0.397
  373   1HZ   LYS  45           HZ1      LYS  45  74.744  -2.270  -0.875
  374   2HZ   LYS  45           HZ3      LYS  45  75.648  -2.245   0.560
  375   3HZ   LYS  45           HZ2      LYS  45  74.877  -3.677   0.069
  376    H    PHE  46           HN       PHE  46  72.538   2.117  -3.567
  377    HA   PHE  46           HA       PHE  46  71.212   3.774  -1.578
  378   1HB   PHE  46           HB2      PHE  46  72.797   4.155  -4.100
  379   2HB   PHE  46           HB1      PHE  46  71.924   5.529  -3.424
  380    HD1  PHE  46           HD1      PHE  46  72.132   5.520  -0.663
  381    HD2  PHE  46           HD2      PHE  46  75.030   4.039  -3.466
  382    HE1  PHE  46           HE1      PHE  46  73.919   5.816   1.028
  383    HE2  PHE  46           HE2      PHE  46  76.819   4.338  -1.773
  384    HZ   PHE  46           HZ       PHE  46  76.262   5.227   0.474
  385    H    LYS  47           HN       LYS  47  70.590   3.067  -5.066
  386    HA   LYS  47           HA       LYS  47  67.989   4.479  -4.784
  387   1HB   LYS  47           HB2      LYS  47  67.794   3.835  -7.250
  388   2HB   LYS  47           HB1      LYS  47  69.145   4.889  -6.853
  389   1HG   LYS  47           HG2      LYS  47  69.878   3.131  -8.379
  390   2HG   LYS  47           HG1      LYS  47  70.648   2.906  -6.817
  391   1HD   LYS  47           HD2      LYS  47  69.588   0.937  -6.449
  392   2HD   LYS  47           HD1      LYS  47  68.063   1.533  -7.095
  393   1HE   LYS  47           HE2      LYS  47  68.600   0.931  -9.286
  394   2HE   LYS  47           HE1      LYS  47  70.347   1.015  -8.981
  395   1HZ   LYS  47           HZ3      LYS  47  68.572  -0.931  -7.621
  396   2HZ   LYS  47           HZ2      LYS  47  69.382  -1.292  -9.069
  397   3HZ   LYS  47           HZ1      LYS  47  70.267  -0.926  -7.667
  398    H    GLU  48           HN       GLU  48  69.337   1.325  -4.641
  399    HA   GLU  48           HA       GLU  48  67.195  -0.397  -5.265
  400   1HB   GLU  48           HB2      GLU  48  69.415  -0.309  -3.224
  401   2HB   GLU  48           HB1      GLU  48  68.257  -1.635  -3.184
  402   1HG   GLU  48           HG2      GLU  48  69.493  -0.924  -5.809
  403   2HG   GLU  48           HG1      GLU  48  70.479  -1.793  -4.632
  404    H    ILE  49           HN       ILE  49  67.897   1.602  -2.485
  405    HA   ILE  49           HA       ILE  49  65.799   0.797  -0.727
  406    HB   ILE  49           HB       ILE  49  67.123   3.463  -1.218
  407   1HG1  ILE  49          HG12      ILE  49  67.928   1.587   0.952
  408   2HG1  ILE  49          HG11      ILE  49  68.436   1.211  -0.694
  409   1HG2  ILE  49          HG23      ILE  49  65.423   2.393   0.996
  410   2HG2  ILE  49          HG22      ILE  49  66.664   3.597   1.344
  411   3HG2  ILE  49          HG21      ILE  49  65.367   3.971   0.210
  412   1HD1  ILE  49          HD11      ILE  49  68.898   3.883   0.655
  413   2HD1  ILE  49          HD13      ILE  49  70.104   2.600   0.560
  414   3HD1  ILE  49          HD12      ILE  49  69.518   3.370  -0.912
  415    H    LYS  50           HN       LYS  50  66.051   3.216  -3.289
  416    HA   LYS  50           HA       LYS  50  63.456   4.412  -3.007
  417   1HB   LYS  50           HB2      LYS  50  65.703   4.928  -4.400
  418   2HB   LYS  50           HB1      LYS  50  64.764   4.162  -5.682
  419   1HG   LYS  50           HG2      LYS  50  62.859   5.724  -5.076
  420   2HG   LYS  50           HG1      LYS  50  63.999   6.588  -4.043
  421   1HD   LYS  50           HD2      LYS  50  65.503   6.680  -6.162
  422   2HD   LYS  50           HD1      LYS  50  64.020   6.304  -7.041
  423   1HE   LYS  50           HE2      LYS  50  63.801   8.604  -7.028
  424   2HE   LYS  50           HE1      LYS  50  63.107   8.291  -5.426
  425   1HZ   LYS  50           HZ1      LYS  50  65.935   8.267  -5.283
  426   2HZ   LYS  50           HZ3      LYS  50  65.418   9.719  -5.995
  427   3HZ   LYS  50           HZ2      LYS  50  64.835   9.270  -4.464
  428    H    GLU  51           HN       GLU  51  64.349   1.291  -4.003
  429    HA   GLU  51           HA       GLU  51  62.143   0.869  -5.914
  430   1HB   GLU  51           HB2      GLU  51  64.569  -0.190  -5.657
  431   2HB   GLU  51           HB1      GLU  51  63.722  -1.290  -4.568
  432   1HG   GLU  51           HG2      GLU  51  63.046  -2.453  -6.378
  433   2HG   GLU  51           HG1      GLU  51  62.061  -1.060  -6.828
  434    H    ALA  52           HN       ALA  52  62.981   0.151  -2.559
  435    HA   ALA  52           HA       ALA  52  61.051  -1.620  -1.664
  436   1HB   ALA  52           HB1      ALA  52  62.138   0.968  -0.519
  437   2HB   ALA  52           HB3      ALA  52  61.196  -0.173   0.440
  438   3HB   ALA  52           HB2      ALA  52  62.747  -0.664  -0.242
  439    H    TYR  53           HN       TYR  53  60.552   1.640  -2.800
  440    HA   TYR  53           HA       TYR  53  57.935   2.066  -1.683
  441   1HB   TYR  53           HB2      TYR  53  59.365   3.193  -4.112
  442   2HB   TYR  53           HB1      TYR  53  57.922   3.899  -3.380
  443    HD1  TYR  53           HD2      TYR  53  61.484   3.129  -2.874
  444    HD2  TYR  53           HD1      TYR  53  58.041   5.089  -1.264
  445    HE1  TYR  53           HE2      TYR  53  62.921   4.246  -1.227
  446    HE2  TYR  53           HE1      TYR  53  59.467   6.215   0.402
  447    HH   TYR  53           HH       TYR  53  62.156   6.867   0.386
  448    H    GLU  54           HN       GLU  54  59.131   0.649  -4.698
  449    HA   GLU  54           HA       GLU  54  56.592   0.393  -6.029
  450   1HB   GLU  54           HB2      GLU  54  58.800  -1.649  -6.251
  451   2HB   GLU  54           HB1      GLU  54  57.784  -0.979  -7.528
  452   1HG   GLU  54           HG2      GLU  54  59.109   1.234  -6.480
  453   2HG   GLU  54           HG1      GLU  54  60.338  -0.031  -6.510
  454    H    VAL  55           HN       VAL  55  57.950  -1.094  -3.267
  455    HA   VAL  55           HA       VAL  55  56.203  -3.453  -3.496
  456    HB   VAL  55           HB       VAL  55  58.785  -2.875  -2.485
  457   1HG1  VAL  55          HG13      VAL  55  56.803  -3.628  -0.324
  458   2HG1  VAL  55          HG12      VAL  55  58.526  -3.983  -0.198
  459   3HG1  VAL  55          HG11      VAL  55  57.978  -2.313  -0.304
  460   1HG2  VAL  55          HG23      VAL  55  57.951  -4.921  -3.653
  461   2HG2  VAL  55          HG22      VAL  55  58.897  -5.273  -2.207
  462   3HG2  VAL  55          HG21      VAL  55  57.137  -5.386  -2.160
  463    H    LEU  56           HN       LEU  56  56.987  -0.957  -1.054
  464    HA   LEU  56           HA       LEU  56  54.534  -1.568   0.461
  465   1HB   LEU  56           HB2      LEU  56  55.505   0.099   1.999
  466   2HB   LEU  56           HB1      LEU  56  56.709  -1.098   1.506
  467    HG   LEU  56           HG       LEU  56  56.860   0.835  -0.475
  468   1HD1  LEU  56          HD13      LEU  56  55.439   2.300   0.961
  469   2HD1  LEU  56          HD12      LEU  56  56.656   2.191   2.231
  470   3HD1  LEU  56          HD11      LEU  56  57.049   2.967   0.696
  471   1HD2  LEU  56          HD22      LEU  56  58.680  -0.454   0.702
  472   2HD2  LEU  56          HD21      LEU  56  59.056   1.251   0.456
  473   3HD2  LEU  56          HD23      LEU  56  58.544   0.678   2.041
  474    H    THR  57           HN       THR  57  55.566   0.978  -1.811
  475    HA   THR  57           HA       THR  57  53.245   2.649  -1.040
  476    HB   THR  57           HB       THR  57  54.215   4.292  -2.449
  477    HG1  THR  57           HG1      THR  57  56.161   3.211  -3.743
  478   1HG2  THR  57          HG23      THR  57  56.287   2.578  -1.104
  479   2HG2  THR  57          HG22      THR  57  56.756   4.026  -1.982
  480   3HG2  THR  57          HG21      THR  57  55.661   4.148  -0.609
  481    H    ASP  58           HN       ASP  58  52.968  -0.090  -2.258
  482    HA   ASP  58           HA       ASP  58  51.104   0.675  -4.445
  483   1HB   ASP  58           HB2      ASP  58  53.609  -0.708  -4.671
  484   2HB   ASP  58           HB1      ASP  58  52.314  -1.863  -5.001
  485    H    SER  59           HN       SER  59  49.207   0.094  -3.749
  486    HA   SER  59           HA       SER  59  48.465  -1.343  -1.597
  487   1HB   SER  59           HB2      SER  59  47.216  -0.216  -3.703
  488   2HB   SER  59           HB1      SER  59  46.904  -1.914  -4.056
  489    HG   SER  59           HG       SER  59  46.320  -0.507  -1.657
  490    H    GLN  60           HN       GLN  60  49.767  -2.747  -4.525
  491    HA   GLN  60           HA       GLN  60  48.851  -5.453  -4.029
  492   1HB   GLN  60           HB2      GLN  60  51.020  -4.233  -5.759
  493   2HB   GLN  60           HB1      GLN  60  50.517  -5.921  -5.854
  494   1HG   GLN  60           HG2      GLN  60  48.580  -5.414  -6.931
  495   2HG   GLN  60           HG1      GLN  60  48.298  -3.978  -5.947
  496   1HE2  GLN  60          HE22      GLN  60  50.669  -3.594  -9.294
  497   2HE2  GLN  60          HE21      GLN  60  50.595  -5.096  -8.506
  498    H    LYS  61           HN       LYS  61  52.228  -4.244  -4.057
  499    HA   LYS  61           HA       LYS  61  53.074  -6.501  -2.386
  500   1HB   LYS  61           HB2      LYS  61  55.129  -4.539  -2.544
  501   2HB   LYS  61           HB1      LYS  61  55.049  -6.090  -3.360
  502   1HG   LYS  61           HG2      LYS  61  53.828  -3.515  -4.404
  503   2HG   LYS  61           HG1      LYS  61  55.352  -4.208  -4.948
  504   1HD   LYS  61           HD2      LYS  61  53.031  -6.056  -4.984
  505   2HD   LYS  61           HD1      LYS  61  52.979  -4.737  -6.154
  506   1HE   LYS  61           HE2      LYS  61  55.642  -5.844  -6.114
  507   2HE   LYS  61           HE1      LYS  61  54.461  -7.146  -6.368
  508   1HZ   LYS  61           HZ1      LYS  61  53.365  -5.338  -7.894
  509   2HZ   LYS  61           HZ3      LYS  61  54.952  -4.746  -7.982
  510   3HZ   LYS  61           HZ2      LYS  61  54.610  -6.333  -8.483
  511    H    ARG  62           HN       ARG  62  51.929  -3.351  -1.673
  512    HA   ARG  62           HA       ARG  62  53.419  -3.206   0.838
  513   1HB   ARG  62           HB2      ARG  62  52.372  -1.093   1.047
  514   2HB   ARG  62           HB1      ARG  62  52.499  -1.307  -0.698
  515   1HG   ARG  62           HG2      ARG  62  50.192  -2.019  -0.848
  516   2HG   ARG  62           HG1      ARG  62  50.041  -2.058   0.909
  517   1HD   ARG  62           HD2      ARG  62  50.822   0.496  -0.502
  518   2HD   ARG  62           HD1      ARG  62  49.117   0.041  -0.308
  519    HE   ARG  62           HE       ARG  62  51.016   0.575   1.923
  520   1HH1  ARG  62          HH21      ARG  62  49.004  -1.632   2.479
  521   2HH1  ARG  62          HH22      ARG  62  47.715  -0.738   3.216
  522   1HH2  ARG  62          HH11      ARG  62  48.869   2.342   2.121
  523   2HH2  ARG  62          HH12      ARG  62  47.638   1.511   3.011
  524    H    ALA  63           HN       ALA  63  50.315  -4.312  -0.279
  525    HA   ALA  63           HA       ALA  63  49.275  -4.736   2.463
  526   1HB   ALA  63           HB3      ALA  63  48.244  -5.159  -0.355
  527   2HB   ALA  63           HB2      ALA  63  47.328  -5.655   1.068
  528   3HB   ALA  63           HB1      ALA  63  47.714  -3.952   0.816
  529    H    ALA  64           HN       ALA  64  50.967  -6.406  -0.031
  530    HA   ALA  64           HA       ALA  64  50.230  -9.102   0.930
  531   1HB   ALA  64           HB1      ALA  64  51.754  -7.839  -1.306
  532   2HB   ALA  64           HB3      ALA  64  52.171  -9.499  -0.879
  533   3HB   ALA  64           HB2      ALA  64  50.523  -9.100  -1.363
  534    H    TYR  65           HN       TYR  65  53.067  -6.954   0.897
  535    HA   TYR  65           HA       TYR  65  54.788  -8.859   2.261
  536   1HB   TYR  65           HB2      TYR  65  54.837  -5.950   1.470
  537   2HB   TYR  65           HB1      TYR  65  56.150  -6.641   2.436
  538    HD1  TYR  65           HD2      TYR  65  54.478  -8.983   0.251
  539    HD2  TYR  65           HD1      TYR  65  57.612  -6.048   0.412
  540    HE1  TYR  65           HE2      TYR  65  55.479  -9.941  -1.802
  541    HE2  TYR  65           HE1      TYR  65  58.609  -7.010  -1.643
  542    HH   TYR  65           HH       TYR  65  57.572  -8.417  -3.704
  543    H    ASP  66           HN       ASP  66  52.609  -6.270   3.262
  544    HA   ASP  66           HA       ASP  66  53.611  -5.873   5.914
  545   1HB   ASP  66           HB2      ASP  66  51.558  -4.713   6.223
  546   2HB   ASP  66           HB1      ASP  66  51.884  -4.563   4.498
  547    H    GLN  67           HN       GLN  67  51.995  -8.528   4.453
  548    HA   GLN  67           HA       GLN  67  51.665  -9.814   7.136
  549   1HB   GLN  67           HB2      GLN  67  49.729  -9.715   4.801
  550   2HB   GLN  67           HB1      GLN  67  49.529 -10.781   6.192
  551   1HG   GLN  67           HG2      GLN  67  49.790  -7.769   6.399
  552   2HG   GLN  67           HG1      GLN  67  48.247  -8.623   6.376
  553   1HE2  GLN  67          HE22      GLN  67  48.755 -10.084   9.643
  554   2HE2  GLN  67          HE21      GLN  67  48.052 -10.414   8.134
  555    H    TYR  68           HN       TYR  68  53.418  -9.907   4.457
  556    HA   TYR  68           HA       TYR  68  54.496 -11.600   3.201
  557   1HB   TYR  68           HB2      TYR  68  53.937 -12.658   5.951
  558   2HB   TYR  68           HB1      TYR  68  54.627 -13.757   4.751
  559    HD1  TYR  68           HD2      TYR  68  56.656 -12.769   3.360
  560    HD2  TYR  68           HD1      TYR  68  55.381 -11.315   7.196
  561    HE1  TYR  68           HE2      TYR  68  58.891 -11.758   3.720
  562    HE2  TYR  68           HE1      TYR  68  57.615 -10.304   7.555
  563    HH   TYR  68           HH       TYR  68  59.846  -9.856   5.100
  564    H    GLY  69           HN       GLY  69  51.619 -11.307   2.756
  565   1HA   GLY  69           HA2      GLY  69  50.259 -12.563   1.209
  566   2HA   GLY  69           HA1      GLY  69  51.080 -14.038   1.728
  567    H    HIS  70           HN       HIS  70  48.227 -13.783   1.635
  568    HA   HIS  70           HA       HIS  70  47.129 -13.140   4.213
  569   1HB   HIS  70           HB2      HIS  70  45.150 -14.278   3.306
  570   2HB   HIS  70           HB1      HIS  70  45.896 -13.290   2.045
  571    HD1  HIS  70           HD1      HIS  70  44.841 -16.708   2.776
  572    HD2  HIS  70           HD2      HIS  70  47.639 -14.917   0.257
  573    HE1  HIS  70           HE1      HIS  70  45.471 -18.451   1.050
  574    H    ALA  71           HN       ALA  71  49.138 -15.685   3.243
  575    HA   ALA  71           HA       ALA  71  48.109 -17.920   4.688
  576   1HB   ALA  71           HB3      ALA  71  49.961 -17.881   2.997
  577   2HB   ALA  71           HB2      ALA  71  50.988 -17.094   4.195
  578   3HB   ALA  71           HB1      ALA  71  50.405 -18.735   4.474
  579    H    ALA  72           HN       ALA  72  50.223 -15.231   5.701
  580    HA   ALA  72           HA       ALA  72  50.865 -16.166   8.314
  581   1HB   ALA  72           HB3      ALA  72  50.459 -13.393   7.150
  582   2HB   ALA  72           HB2      ALA  72  51.197 -13.694   8.723
  583   3HB   ALA  72           HB1      ALA  72  51.978 -14.283   7.255
  584    H    PHE  73           HN       PHE  73  47.901 -14.952   6.986
  585    HA   PHE  73           HA       PHE  73  46.744 -14.603   9.725
  586   1HB   PHE  73           HB2      PHE  73  46.622 -13.175   7.243
  587   2HB   PHE  73           HB1      PHE  73  45.000 -13.768   7.620
  588    HD1  PHE  73           HD2      PHE  73  47.880 -12.525   9.690
  589    HD2  PHE  73           HD1      PHE  73  43.723 -12.140   8.680
  590    HE1  PHE  73           HE2      PHE  73  47.628 -10.753  11.404
  591    HE2  PHE  73           HE1      PHE  73  43.470 -10.366  10.396
  592    HZ   PHE  73           HZ       PHE  73  45.424  -9.674  11.759
  593    H    GLU  74           HN       GLU  74  46.894 -16.767   7.120
  594    HA   GLU  74           HA       GLU  74  44.577 -18.292   8.204
  595   1HB   GLU  74           HB2      GLU  74  44.957 -17.793   5.243
  596   2HB   GLU  74           HB1      GLU  74  43.530 -18.427   6.062
  597   1HG   GLU  74           HG2      GLU  74  43.172 -16.261   7.163
  598   2HG   GLU  74           HG1      GLU  74  44.627 -15.618   6.398
  599    H    GLN  75           HN       GLN  75  45.785 -20.088   8.839
  600    HA   GLN  75           HA       GLN  75  46.764 -21.914   6.841
  601   1HB   GLN  75           HB2      GLN  75  48.489 -19.772   7.657
  602   2HB   GLN  75           HB1      GLN  75  49.170 -21.292   8.243
  603   1HG   GLN  75           HG2      GLN  75  48.312 -21.910   5.669
  604   2HG   GLN  75           HG1      GLN  75  48.981 -20.286   5.507
  605   1HE2  GLN  75          HE22      GLN  75  51.485 -23.401   5.971
  606   2HE2  GLN  75          HE21      GLN  75  49.819 -23.599   5.710
  607    H    GLY  76           HN       GLY  76  47.763 -20.933  10.150
  608   1HA   GLY  76           HA2      GLY  76  46.463 -23.175  11.409
  609   2HA   GLY  76           HA1      GLY  76  48.183 -23.506  11.188
  610    H    GLY  77           HN       GLY  77  48.836 -23.354  13.338
  611   1HA   GLY  77           HA2      GLY  77  49.539 -20.872  14.425
  612   2HA   GLY  77           HA1      GLY  77  47.963 -21.257  15.117
   
  No H/Q in entry =         612
  Start of MODEL   14
    1   1H    ALA   1           HT2      ALA   1  68.752 -12.294   7.865
    2   2H    ALA   1           HT1      ALA   1  69.989 -12.982   6.927
    3   3H    ALA   1           HT3      ALA   1  70.355 -11.765   8.050
    4    HA   ALA   1           HA       ALA   1  70.311 -10.467   6.193
    5   1HB   ALA   1           HB2      ALA   1  68.811 -12.853   5.296
    6   2HB   ALA   1           HB1      ALA   1  68.381 -11.357   4.468
    7   3HB   ALA   1           HB3      ALA   1  70.050 -11.924   4.453
    8    H    LYS   2           HN       LYS   2  69.149  -8.546   6.072
    9    HA   LYS   2           HA       LYS   2  66.263  -8.548   6.810
   10   1HB   LYS   2           HB2      LYS   2  68.509  -7.772   8.479
   11   2HB   LYS   2           HB1      LYS   2  67.440  -6.397   8.201
   12   1HG   LYS   2           HG2      LYS   2  65.515  -7.681   8.964
   13   2HG   LYS   2           HG1      LYS   2  66.510  -9.127   9.135
   14   1HD   LYS   2           HD2      LYS   2  66.216  -8.086  11.325
   15   2HD   LYS   2           HD1      LYS   2  67.900  -7.930  10.824
   16   1HE   LYS   2           HE2      LYS   2  67.696  -5.695  11.159
   17   2HE   LYS   2           HE1      LYS   2  66.585  -5.655   9.775
   18   1HZ   LYS   2           HZ1      LYS   2  64.938  -6.622  11.540
   19   2HZ   LYS   2           HZ3      LYS   2  65.975  -5.854  12.640
   20   3HZ   LYS   2           HZ2      LYS   2  65.196  -4.947  11.432
   21    H    GLN   3           HN       GLN   3  67.052  -8.092   4.252
   22    HA   GLN   3           HA       GLN   3  67.060  -5.102   3.975
   23   1HB   GLN   3           HB2      GLN   3  68.633  -7.268   2.820
   24   2HB   GLN   3           HB1      GLN   3  67.889  -6.271   1.569
   25   1HG   GLN   3           HG2      GLN   3  68.740  -4.299   3.152
   26   2HG   GLN   3           HG1      GLN   3  69.915  -5.525   3.632
   27   1HE2  GLN   3          HE22      GLN   3  71.400  -5.704   0.338
   28   2HE2  GLN   3          HE21      GLN   3  71.019  -6.677   1.675
   29    H    ASP   4           HN       ASP   4  64.593  -6.358   4.343
   30    HA   ASP   4           HA       ASP   4  63.460  -6.752   1.623
   31   1HB   ASP   4           HB2      ASP   4  62.319  -8.358   2.752
   32   2HB   ASP   4           HB1      ASP   4  63.080  -7.829   4.250
   33    H    TYR   5           HN       TYR   5  63.408  -4.714   0.823
   34    HA   TYR   5           HA       TYR   5  62.968  -2.354   0.878
   35   1HB   TYR   5           HB2      TYR   5  60.150  -2.819   0.932
   36   2HB   TYR   5           HB1      TYR   5  61.191  -2.544  -0.453
   37    HD1  TYR   5           HD1      TYR   5  60.121  -5.257   1.899
   38    HD2  TYR   5           HD2      TYR   5  61.595  -4.230  -2.001
   39    HE1  TYR   5           HE1      TYR   5  59.866  -7.619   1.179
   40    HE2  TYR   5           HE2      TYR   5  61.339  -6.589  -2.722
   41    HH   TYR   5           HH       TYR   5  60.637  -9.130  -0.464
   42    H    TYR   6           HN       TYR   6  60.163  -3.483   2.809
   43    HA   TYR   6           HA       TYR   6  59.930  -1.266   4.485
   44   1HB   TYR   6           HB2      TYR   6  59.491  -4.216   4.859
   45   2HB   TYR   6           HB1      TYR   6  59.151  -3.083   6.170
   46    HD1  TYR   6           HD2      TYR   6  57.825  -0.912   5.433
   47    HD2  TYR   6           HD1      TYR   6  57.764  -4.653   3.320
   48    HE1  TYR   6           HE2      TYR   6  55.678  -0.281   4.366
   49    HE2  TYR   6           HE1      TYR   6  55.608  -4.014   2.250
   50    HH   TYR   6           HH       TYR   6  53.616  -2.180   3.146
   51    H    GLU   7           HN       GLU   7  62.294  -3.899   4.571
   52    HA   GLU   7           HA       GLU   7  63.522  -2.873   7.077
   53   1HB   GLU   7           HB2      GLU   7  63.372  -5.322   5.605
   54   2HB   GLU   7           HB1      GLU   7  65.069  -4.843   5.660
   55   1HG   GLU   7           HG2      GLU   7  64.416  -6.237   7.619
   56   2HG   GLU   7           HG1      GLU   7  64.965  -4.629   8.092
   57    H    ILE   8           HN       ILE   8  63.937  -2.946   3.605
   58    HA   ILE   8           HA       ILE   8  66.558  -2.064   3.204
   59    HB   ILE   8           HB       ILE   8  63.956  -1.441   1.873
   60   1HG1  ILE   8          HG12      ILE   8  64.879  -3.834   2.016
   61   2HG1  ILE   8          HG11      ILE   8  64.525  -3.244   0.391
   62   1HG2  ILE   8          HG22      ILE   8  66.679  -0.500   1.282
   63   2HG2  ILE   8          HG21      ILE   8  65.770  -1.126  -0.093
   64   3HG2  ILE   8          HG23      ILE   8  65.120   0.207   0.860
   65   1HD1  ILE   8          HD12      ILE   8  67.263  -3.048   1.668
   66   2HD1  ILE   8          HD11      ILE   8  66.770  -4.396   0.643
   67   3HD1  ILE   8          HD13      ILE   8  66.846  -2.764  -0.022
   68    H    LEU   9           HN       LEU   9  63.621  -0.132   3.578
   69    HA   LEU   9           HA       LEU   9  65.023   2.434   3.699
   70   1HB   LEU   9           HB2      LEU   9  62.172   1.719   4.449
   71   2HB   LEU   9           HB1      LEU   9  62.770   3.269   3.852
   72    HG   LEU   9           HG       LEU   9  63.519   1.209   2.004
   73   1HD1  LEU   9          HD12      LEU   9  61.106   0.595   3.312
   74   2HD1  LEU   9          HD11      LEU   9  60.641   1.281   1.756
   75   3HD1  LEU   9          HD13      LEU   9  61.715  -0.115   1.817
   76   1HD2  LEU   9          HD22      LEU   9  62.082   3.790   2.074
   77   2HD2  LEU   9          HD21      LEU   9  63.305   3.215   0.940
   78   3HD2  LEU   9          HD23      LEU   9  61.622   2.722   0.749
   79    H    GLY  10           HN       GLY  10  64.604  -0.065   5.919
   80   1HA   GLY  10           HA2      GLY  10  65.362  -0.066   8.173
   81   2HA   GLY  10           HA1      GLY  10  65.412   1.696   8.130
   82    H    VAL  11           HN       VAL  11  62.490   0.406   6.913
   83    HA   VAL  11           HA       VAL  11  61.127   1.261   9.438
   84    HB   VAL  11           HB       VAL  11  59.324   0.617   7.297
   85   1HG1  VAL  11          HG11      VAL  11  60.178   3.115   8.745
   86   2HG1  VAL  11          HG13      VAL  11  58.940   3.147   7.489
   87   3HG1  VAL  11          HG12      VAL  11  58.692   2.184   8.946
   88   1HG2  VAL  11          HG23      VAL  11  61.738   2.218   6.518
   89   2HG2  VAL  11          HG22      VAL  11  60.888   0.970   5.606
   90   3HG2  VAL  11          HG21      VAL  11  60.164   2.565   5.805
   91    H    SER  12           HN       SER  12  58.908  -0.015   9.636
   92    HA   SER  12           HA       SER  12  59.626  -2.848   9.973
   93   1HB   SER  12           HB2      SER  12  58.340  -1.157  11.557
   94   2HB   SER  12           HB1      SER  12  56.953  -1.662  10.594
   95    HG   SER  12           HG       SER  12  57.523  -2.933  12.557
   96    H    LYS  13           HN       LYS  13  58.443  -4.568   8.956
   97    HA   LYS  13           HA       LYS  13  57.669  -4.213   6.273
   98   1HB   LYS  13           HB2      LYS  13  56.612  -6.413   6.559
   99   2HB   LYS  13           HB1      LYS  13  58.184  -6.349   7.354
  100   1HG   LYS  13           HG2      LYS  13  56.735  -5.563   9.432
  101   2HG   LYS  13           HG1      LYS  13  55.448  -6.412   8.575
  102   1HD   LYS  13           HD2      LYS  13  56.429  -8.473   8.855
  103   2HD   LYS  13           HD1      LYS  13  58.065  -7.816   8.818
  104   1HE   LYS  13           HE2      LYS  13  58.081  -7.370  11.083
  105   2HE   LYS  13           HE1      LYS  13  56.339  -7.027  11.129
  106   1HZ   LYS  13           HZ1      LYS  13  57.041  -9.718  10.324
  107   2HZ   LYS  13           HZ3      LYS  13  57.427  -9.346  11.933
  108   3HZ   LYS  13           HZ2      LYS  13  55.826  -9.184  11.385
  109    H    THR  14           HN       THR  14  56.040  -3.432   9.191
  110    HA   THR  14           HA       THR  14  53.451  -3.037   7.777
  111    HB   THR  14           HB       THR  14  52.492  -3.217   9.921
  112    HG1  THR  14           HG1      THR  14  55.046  -2.610  10.993
  113   1HG2  THR  14          HG22      THR  14  53.625  -5.329   9.278
  114   2HG2  THR  14          HG21      THR  14  55.074  -4.798  10.133
  115   3HG2  THR  14          HG23      THR  14  53.589  -5.117  11.030
  116    H    ALA  15           HN       ALA  15  56.162  -1.328   7.965
  117    HA   ALA  15           HA       ALA  15  55.759   1.123   9.253
  118   1HB   ALA  15           HB1      ALA  15  57.768   0.337   8.110
  119   2HB   ALA  15           HB3      ALA  15  56.956   0.495   6.552
  120   3HB   ALA  15           HB2      ALA  15  57.301   1.931   7.516
  121    H    GLU  16           HN       GLU  16  55.906   2.530   6.453
  122    HA   GLU  16           HA       GLU  16  53.258   2.482   5.370
  123   1HB   GLU  16           HB2      GLU  16  53.756   3.932   7.807
  124   2HB   GLU  16           HB1      GLU  16  53.351   5.076   6.522
  125   1HG   GLU  16           HG2      GLU  16  51.392   3.575   5.955
  126   2HG   GLU  16           HG1      GLU  16  51.742   2.682   7.436
  127    H    GLU  17           HN       GLU  17  52.982   4.439   3.942
  128    HA   GLU  17           HA       GLU  17  55.193   4.750   2.181
  129   1HB   GLU  17           HB2      GLU  17  52.926   4.937   1.425
  130   2HB   GLU  17           HB1      GLU  17  52.585   6.231   2.574
  131   1HG   GLU  17           HG2      GLU  17  54.842   7.038   1.046
  132   2HG   GLU  17           HG1      GLU  17  53.628   6.446  -0.086
  133    H    ARG  18           HN       ARG  18  54.002   6.912   4.780
  134    HA   ARG  18           HA       ARG  18  55.887   9.016   3.986
  135   1HB   ARG  18           HB2      ARG  18  54.890  10.192   5.910
  136   2HB   ARG  18           HB1      ARG  18  53.638   9.473   4.899
  137   1HG   ARG  18           HG2      ARG  18  52.997   8.007   6.513
  138   2HG   ARG  18           HG1      ARG  18  54.655   7.710   7.037
  139   1HD   ARG  18           HD2      ARG  18  53.184   8.919   8.741
  140   2HD   ARG  18           HD1      ARG  18  54.687   9.767   8.325
  141    HE   ARG  18           HE       ARG  18  52.749  10.602   6.449
  142   1HH1  ARG  18          HH11      ARG  18  53.724  10.973   9.717
  143   2HH1  ARG  18          HH12      ARG  18  52.691  12.330  10.019
  144   1HH2  ARG  18          HH21      ARG  18  51.225  12.252   6.877
  145   2HH2  ARG  18          HH22      ARG  18  51.275  13.055   8.412
  146    H    GLU  19           HN       GLU  19  56.158   6.199   5.873
  147    HA   GLU  19           HA       GLU  19  58.414   7.359   7.451
  148   1HB   GLU  19           HB2      GLU  19  58.019   4.643   8.136
  149   2HB   GLU  19           HB1      GLU  19  57.553   6.045   9.091
  150   1HG   GLU  19           HG2      GLU  19  55.415   6.062   7.607
  151   2HG   GLU  19           HG1      GLU  19  55.875   4.409   7.198
  152    H    ILE  20           HN       ILE  20  57.517   5.375   4.807
  153    HA   ILE  20           HA       ILE  20  60.091   3.965   4.580
  154    HB   ILE  20           HB       ILE  20  57.587   4.247   2.894
  155   1HG1  ILE  20          HG12      ILE  20  57.732   2.947   5.173
  156   2HG1  ILE  20          HG11      ILE  20  56.939   2.183   3.804
  157   1HG2  ILE  20          HG22      ILE  20  60.239   3.191   2.256
  158   2HG2  ILE  20          HG21      ILE  20  58.954   2.016   1.997
  159   3HG2  ILE  20          HG23      ILE  20  58.899   3.580   1.180
  160   1HD1  ILE  20          HD12      ILE  20  59.879   1.771   4.112
  161   2HD1  ILE  20          HD11      ILE  20  58.809   0.916   5.222
  162   3HD1  ILE  20          HD13      ILE  20  58.654   0.671   3.483
  163    H    ARG  21           HN       ARG  21  58.238   6.272   2.546
  164    HA   ARG  21           HA       ARG  21  60.376   7.022   0.820
  165   1HB   ARG  21           HB2      ARG  21  58.929   8.943   0.364
  166   2HB   ARG  21           HB1      ARG  21  57.895   7.539   0.636
  167   1HG   ARG  21           HG2      ARG  21  56.878   9.136   1.996
  168   2HG   ARG  21           HG1      ARG  21  57.952   8.329   3.139
  169   1HD   ARG  21           HD2      ARG  21  58.986  10.301   3.542
  170   2HD   ARG  21           HD1      ARG  21  59.435  10.410   1.828
  171    HE   ARG  21           HE       ARG  21  57.675  11.954   1.570
  172   1HH1  ARG  21          HH11      ARG  21  57.636  11.488   4.774
  173   2HH1  ARG  21          HH12      ARG  21  55.918  11.516   4.995
  174   1HH2  ARG  21          HH21      ARG  21  55.212  11.281   1.609
  175   2HH2  ARG  21          HH22      ARG  21  54.546  11.400   3.204
  176    H    LYS  22           HN       LYS  22  59.506   7.836   4.067
  177    HA   LYS  22           HA       LYS  22  61.278  10.123   4.400
  178   1HB   LYS  22           HB2      LYS  22  59.342  10.049   5.756
  179   2HB   LYS  22           HB1      LYS  22  59.528   8.327   6.081
  180   1HG   LYS  22           HG2      LYS  22  60.120   9.874   8.017
  181   2HG   LYS  22           HG1      LYS  22  61.366   8.710   7.566
  182   1HD   LYS  22           HD2      LYS  22  62.531  10.753   7.786
  183   2HD   LYS  22           HD1      LYS  22  62.301  10.578   6.049
  184   1HE   LYS  22           HE2      LYS  22  60.575  12.193   5.990
  185   2HE   LYS  22           HE1      LYS  22  60.296  12.083   7.740
  186   1HZ   LYS  22           HZ1      LYS  22  62.908  12.903   6.610
  187   2HZ   LYS  22           HZ3      LYS  22  61.686  14.032   6.943
  188   3HZ   LYS  22           HZ2      LYS  22  62.341  13.098   8.200
  189    H    ALA  23           HN       ALA  23  61.297   6.688   5.335
  190    HA   ALA  23           HA       ALA  23  63.601   6.494   6.883
  191   1HB   ALA  23           HB1      ALA  23  61.920   4.819   5.239
  192   2HB   ALA  23           HB3      ALA  23  63.604   4.334   5.052
  193   3HB   ALA  23           HB2      ALA  23  62.871   4.365   6.656
  194    H    TYR  24           HN       TYR  24  63.438   6.244   3.319
  195    HA   TYR  24           HA       TYR  24  66.266   6.196   2.870
  196   1HB   TYR  24           HB2      TYR  24  64.300   5.603   1.326
  197   2HB   TYR  24           HB1      TYR  24  64.064   7.335   1.110
  198    HD1  TYR  24           HD2      TYR  24  67.293   5.501   1.476
  199    HD2  TYR  24           HD1      TYR  24  64.688   7.692  -1.146
  200    HE1  TYR  24           HE2      TYR  24  69.075   5.562  -0.247
  201    HE2  TYR  24           HE1      TYR  24  66.470   7.749  -2.870
  202    HH   TYR  24           HH       TYR  24  69.706   6.908  -2.192
  203    H    LYS  25           HN       LYS  25  63.824   8.733   2.605
  204    HA   LYS  25           HA       LYS  25  65.240  11.039   2.141
  205   1HB   LYS  25           HB2      LYS  25  62.810  10.122   3.333
  206   2HB   LYS  25           HB1      LYS  25  63.443  11.417   4.344
  207   1HG   LYS  25           HG2      LYS  25  62.795  12.959   2.830
  208   2HG   LYS  25           HG1      LYS  25  63.734  12.150   1.574
  209   1HD   LYS  25           HD2      LYS  25  61.918  10.691   1.024
  210   2HD   LYS  25           HD1      LYS  25  61.012  11.171   2.459
  211   1HE   LYS  25           HE2      LYS  25  60.034  12.365   0.600
  212   2HE   LYS  25           HE1      LYS  25  61.013  13.550   1.488
  213   1HZ   LYS  25           HZ1      LYS  25  62.893  12.918   0.004
  214   2HZ   LYS  25           HZ3      LYS  25  61.801  12.021  -0.933
  215   3HZ   LYS  25           HZ2      LYS  25  61.618  13.704  -0.796
  216    H    ARG  26           HN       ARG  26  65.232   9.089   5.081
  217    HA   ARG  26           HA       ARG  26  66.726  11.076   6.654
  218   1HB   ARG  26           HB2      ARG  26  65.864   8.200   7.097
  219   2HB   ARG  26           HB1      ARG  26  66.641   9.194   8.330
  220   1HG   ARG  26           HG2      ARG  26  64.475  10.677   7.164
  221   2HG   ARG  26           HG1      ARG  26  63.881   9.095   7.672
  222   1HD   ARG  26           HD2      ARG  26  63.701  10.667   9.551
  223   2HD   ARG  26           HD1      ARG  26  64.972   9.482   9.915
  224    HE   ARG  26           HE       ARG  26  65.897  11.891   8.505
  225   1HH1  ARG  26          HH11      ARG  26  68.003  10.761   9.904
  226   2HH1  ARG  26          HH12      ARG  26  67.996  11.484  11.478
  227   1HH2  ARG  26          HH21      ARG  26  64.730  12.622  11.228
  228   2HH2  ARG  26          HH22      ARG  26  66.141  12.533  12.230
  229    H    LEU  27           HN       LEU  27  67.371   7.832   5.279
  230    HA   LEU  27           HA       LEU  27  70.196   7.927   6.017
  231   1HB   LEU  27           HB2      LEU  27  70.217   5.726   5.121
  232   2HB   LEU  27           HB1      LEU  27  68.597   5.912   5.792
  233    HG   LEU  27           HG       LEU  27  67.997   6.747   3.382
  234   1HD1  LEU  27          HD12      LEU  27  70.731   6.094   3.070
  235   2HD1  LEU  27          HD11      LEU  27  69.824   4.830   2.239
  236   3HD1  LEU  27          HD13      LEU  27  69.585   6.521   1.799
  237   1HD2  LEU  27          HD21      LEU  27  68.432   3.940   4.362
  238   2HD2  LEU  27          HD23      LEU  27  66.916   4.809   4.128
  239   3HD2  LEU  27          HD22      LEU  27  67.815   4.214   2.733
  240    H    ALA  28           HN       ALA  28  68.241   8.479   3.142
  241    HA   ALA  28           HA       ALA  28  70.417   8.676   1.274
  242   1HB   ALA  28           HB3      ALA  28  67.519   9.512   1.426
  243   2HB   ALA  28           HB2      ALA  28  68.492   9.860  -0.001
  244   3HB   ALA  28           HB1      ALA  28  68.222   8.190   0.498
  245    H    MET  29           HN       MET  29  68.545  11.083   3.143
  246    HA   MET  29           HA       MET  29  69.916  13.385   2.109
  247   1HB   MET  29           HB2      MET  29  68.959  14.481   4.061
  248   2HB   MET  29           HB1      MET  29  67.786  13.289   3.500
  249   1HG   MET  29           HG2      MET  29  68.381  11.748   5.221
  250   2HG   MET  29           HG1      MET  29  69.833  12.657   5.636
  251   1HE   MET  29           HE1      MET  29  69.990  13.437   7.569
  252   2HE   MET  29           HE3      MET  29  68.836  14.275   8.616
  253   3HE   MET  29           HE2      MET  29  68.731  12.529   8.403
  254    H    LYS  30           HN       LYS  30  70.665  10.923   4.456
  255    HA   LYS  30           HA       LYS  30  73.057  12.328   5.484
  256   1HB   LYS  30           HB2      LYS  30  71.306  10.101   6.193
  257   2HB   LYS  30           HB1      LYS  30  73.008   9.670   6.363
  258   1HG   LYS  30           HG2      LYS  30  73.303  11.059   8.132
  259   2HG   LYS  30           HG1      LYS  30  72.362  12.352   7.386
  260   1HD   LYS  30           HD2      LYS  30  70.738  11.855   8.876
  261   2HD   LYS  30           HD1      LYS  30  70.465  10.389   7.934
  262   1HE   LYS  30           HE2      LYS  30  72.406  10.636  10.263
  263   2HE   LYS  30           HE1      LYS  30  70.833   9.816  10.311
  264   1HZ   LYS  30           HZ1      LYS  30  71.921   8.770   8.100
  265   2HZ   LYS  30           HZ3      LYS  30  73.308   8.979   9.054
  266   3HZ   LYS  30           HZ2      LYS  30  72.013   8.043   9.631
  267    H    TYR  31           HN       TYR  31  72.211  10.159   2.928
  268    HA   TYR  31           HA       TYR  31  75.099   9.442   2.563
  269   1HB   TYR  31           HB2      TYR  31  72.548   7.966   2.336
  270   2HB   TYR  31           HB1      TYR  31  73.708   7.666   1.045
  271    HD1  TYR  31           HD1      TYR  31  76.262   8.089   2.614
  272    HD2  TYR  31           HD2      TYR  31  72.675   5.922   3.561
  273    HE1  TYR  31           HE1      TYR  31  77.548   6.633   4.138
  274    HE2  TYR  31           HE2      TYR  31  73.967   4.460   5.086
  275    HH   TYR  31           HH       TYR  31  75.988   4.389   6.292
  276    H    HIS  32           HN       HIS  32  73.262  11.693   1.585
  277    HA   HIS  32           HA       HIS  32  72.819  11.598  -1.183
  278   1HB   HIS  32           HB2      HIS  32  72.699  13.997  -0.840
  279   2HB   HIS  32           HB1      HIS  32  72.128  13.196   0.607
  280    HD1  HIS  32           HD1      HIS  32  73.096  14.022   2.712
  281    HD2  HIS  32           HD2      HIS  32  75.761  14.534  -0.452
  282    HE1  HIS  32           HE1      HIS  32  75.142  15.165   3.672
  283    HA   PRO  33           HA       PRO  33  76.626  12.224  -3.235
  284   1HB   PRO  33           HB2      PRO  33  77.328  14.842  -3.675
  285   2HB   PRO  33           HB1      PRO  33  76.085  13.978  -4.604
  286   1HG   PRO  33           HG2      PRO  33  75.775  15.883  -2.344
  287   2HG   PRO  33           HG1      PRO  33  74.805  15.708  -3.813
  288   1HD   PRO  33           HD2      PRO  33  74.046  14.792  -1.411
  289   2HD   PRO  33           HD1      PRO  33  73.540  14.023  -2.931
  290    H    ASP  34           HN       ASP  34  76.986  11.738  -0.622
  291    HA   ASP  34           HA       ASP  34  79.368  13.349   0.226
  292   1HB   ASP  34           HB2      ASP  34  78.814  12.569   2.463
  293   2HB   ASP  34           HB1      ASP  34  77.319  13.153   1.734
  294    H    ARG  35           HN       ARG  35  78.003  10.107  -0.177
  295    HA   ARG  35           HA       ARG  35  80.744   9.026  -0.629
  296   1HB   ARG  35           HB2      ARG  35  80.068   7.066   0.749
  297   2HB   ARG  35           HB1      ARG  35  80.022   8.558   1.691
  298   1HG   ARG  35           HG2      ARG  35  77.974   7.483   2.210
  299   2HG   ARG  35           HG1      ARG  35  77.532   8.690   1.003
  300   1HD   ARG  35           HD2      ARG  35  76.707   7.056  -0.307
  301   2HD   ARG  35           HD1      ARG  35  78.314   6.311  -0.379
  302    HE   ARG  35           HE       ARG  35  76.215   5.644   1.622
  303   1HH1  ARG  35          HH21      ARG  35  77.711   4.620   3.375
  304   2HH1  ARG  35          HH22      ARG  35  78.688   3.342   2.741
  305   1HH2  ARG  35          HH11      ARG  35  78.168   4.223  -0.570
  306   2HH2  ARG  35          HH12      ARG  35  78.946   3.114   0.509
  307    H    ASN  36           HN       ASN  36  77.249   8.916  -1.186
  308    HA   ASN  36           HA       ASN  36  76.855   6.590  -2.619
  309   1HB   ASN  36           HB2      ASN  36  75.855   9.397  -2.712
  310   2HB   ASN  36           HB1      ASN  36  75.381   8.327  -4.031
  311   1HD2  ASN  36          HD22      ASN  36  72.818   7.840  -1.404
  312   2HD2  ASN  36          HD21      ASN  36  73.281   9.078  -2.469
  313    H    GLN  37           HN       GLN  37  78.828   9.312  -3.545
  314    HA   GLN  37           HA       GLN  37  78.931   8.999  -6.364
  315   1HB   GLN  37           HB2      GLN  37  81.212   9.705  -4.496
  316   2HB   GLN  37           HB1      GLN  37  80.971  10.269  -6.150
  317   1HG   GLN  37           HG2      GLN  37  78.607  11.003  -4.944
  318   2HG   GLN  37           HG1      GLN  37  79.778  11.251  -3.648
  319   1HE2  GLN  37          HE22      GLN  37  80.096  14.435  -5.305
  320   2HE2  GLN  37          HE21      GLN  37  79.237  13.642  -4.075
  321    H    GLY  38           HN       GLY  38  79.980   6.875  -3.875
  322   1HA   GLY  38           HA2      GLY  38  82.267   5.621  -4.744
  323   2HA   GLY  38           HA1      GLY  38  80.902   4.711  -4.095
  324    H    ASP  39           HN       ASP  39  78.992   5.017  -6.060
  325    HA   ASP  39           HA       ASP  39  78.378   4.342  -8.255
  326   1HB   ASP  39           HB2      ASP  39  80.897   5.571  -8.443
  327   2HB   ASP  39           HB1      ASP  39  81.058   4.056  -9.330
  328    H    LYS  40           HN       LYS  40  81.454   2.797  -7.263
  329    HA   LYS  40           HA       LYS  40  81.213   0.314  -8.505
  330   1HB   LYS  40           HB2      LYS  40  82.840   1.569  -6.660
  331   2HB   LYS  40           HB1      LYS  40  82.144   0.250  -5.720
  332   1HG   LYS  40           HG2      LYS  40  82.741  -1.136  -7.926
  333   2HG   LYS  40           HG1      LYS  40  83.951   0.139  -8.092
  334   1HD   LYS  40           HD2      LYS  40  84.097  -0.533  -5.403
  335   2HD   LYS  40           HD1      LYS  40  83.855  -2.088  -6.198
  336   1HE   LYS  40           HE2      LYS  40  85.885  -0.133  -7.282
  337   2HE   LYS  40           HE1      LYS  40  86.303  -1.229  -5.949
  338   1HZ   LYS  40           HZ2      LYS  40  84.970  -2.158  -8.430
  339   2HZ   LYS  40           HZ1      LYS  40  86.660  -2.144  -8.256
  340   3HZ   LYS  40           HZ3      LYS  40  85.710  -3.101  -7.227
  341    H    GLU  41           HN       GLU  41  78.995  -0.247  -8.512
  342    HA   GLU  41           HA       GLU  41  77.045  -1.312  -7.781
  343   1HB   GLU  41           HB2      GLU  41  77.454  -3.210  -6.404
  344   2HB   GLU  41           HB1      GLU  41  78.927  -2.945  -7.335
  345   1HG   GLU  41           HG2      GLU  41  80.115  -2.206  -5.515
  346   2HG   GLU  41           HG1      GLU  41  78.687  -1.591  -4.687
  347    H    ALA  42           HN       ALA  42  78.721   0.518  -5.199
  348    HA   ALA  42           HA       ALA  42  76.681   0.335  -3.215
  349   1HB   ALA  42           HB3      ALA  42  79.085   1.326  -3.183
  350   2HB   ALA  42           HB2      ALA  42  78.344   2.787  -3.837
  351   3HB   ALA  42           HB1      ALA  42  77.849   2.176  -2.258
  352    H    GLU  43           HN       GLU  43  76.755   1.741  -6.317
  353    HA   GLU  43           HA       GLU  43  75.013   3.994  -6.067
  354   1HB   GLU  43           HB2      GLU  43  76.339   3.190  -8.078
  355   2HB   GLU  43           HB1      GLU  43  75.091   1.964  -8.306
  356   1HG   GLU  43           HG2      GLU  43  73.841   3.463  -9.407
  357   2HG   GLU  43           HG1      GLU  43  73.744   4.429  -7.933
  358    H    ALA  44           HN       ALA  44  74.317   0.608  -6.823
  359    HA   ALA  44           HA       ALA  44  71.568   0.864  -7.170
  360   1HB   ALA  44           HB1      ALA  44  73.191  -1.077  -7.635
  361   2HB   ALA  44           HB3      ALA  44  72.932  -1.541  -5.953
  362   3HB   ALA  44           HB2      ALA  44  71.576  -1.520  -7.081
  363    H    LYS  45           HN       LYS  45  73.215  -0.236  -4.159
  364    HA   LYS  45           HA       LYS  45  71.011  -0.560  -2.512
  365   1HB   LYS  45           HB2      LYS  45  73.284  -0.901  -1.739
  366   2HB   LYS  45           HB1      LYS  45  73.646   0.823  -1.919
  367   1HG   LYS  45           HG2      LYS  45  72.249   1.430  -0.121
  368   2HG   LYS  45           HG1      LYS  45  71.361  -0.092  -0.179
  369   1HD   LYS  45           HD2      LYS  45  72.891  -1.180   1.105
  370   2HD   LYS  45           HD1      LYS  45  74.254  -0.401   0.303
  371   1HE   LYS  45           HE2      LYS  45  74.424   1.167   1.938
  372   2HE   LYS  45           HE1      LYS  45  72.679   1.486   1.905
  373   1HZ   LYS  45           HZ2      LYS  45  72.535  -0.857   2.952
  374   2HZ   LYS  45           HZ1      LYS  45  74.153  -0.588   3.392
  375   3HZ   LYS  45           HZ3      LYS  45  72.939   0.461   3.944
  376    H    PHE  46           HN       PHE  46  72.231   2.437  -3.856
  377    HA   PHE  46           HA       PHE  46  70.805   4.216  -2.066
  378   1HB   PHE  46           HB2      PHE  46  71.789   4.640  -4.906
  379   2HB   PHE  46           HB1      PHE  46  71.483   5.896  -3.706
  380    HD1  PHE  46           HD1      PHE  46  72.589   3.965  -1.402
  381    HD2  PHE  46           HD2      PHE  46  74.140   5.432  -5.130
  382    HE1  PHE  46           HE1      PHE  46  74.901   3.700  -0.545
  383    HE2  PHE  46           HE2      PHE  46  76.451   5.167  -4.272
  384    HZ   PHE  46           HZ       PHE  46  76.833   4.301  -1.981
  385    H    LYS  47           HN       LYS  47  70.136   3.110  -5.438
  386    HA   LYS  47           HA       LYS  47  67.411   4.262  -5.211
  387   1HB   LYS  47           HB2      LYS  47  67.499   4.229  -7.504
  388   2HB   LYS  47           HB1      LYS  47  69.219   3.939  -7.268
  389   1HG   LYS  47           HG2      LYS  47  67.179   1.708  -7.459
  390   2HG   LYS  47           HG1      LYS  47  68.067   2.329  -8.850
  391   1HD   LYS  47           HD2      LYS  47  70.048   1.923  -6.944
  392   2HD   LYS  47           HD1      LYS  47  68.972   0.542  -6.729
  393   1HE   LYS  47           HE2      LYS  47  70.360  -0.254  -8.445
  394   2HE   LYS  47           HE1      LYS  47  69.055   0.482  -9.396
  395   1HZ   LYS  47           HZ3      LYS  47  70.698   2.573  -8.748
  396   2HZ   LYS  47           HZ2      LYS  47  71.780   1.316  -9.121
  397   3HZ   LYS  47           HZ1      LYS  47  70.614   1.803 -10.257
  398    H    GLU  48           HN       GLU  48  69.086   1.280  -4.842
  399    HA   GLU  48           HA       GLU  48  67.126  -0.716  -5.179
  400   1HB   GLU  48           HB2      GLU  48  69.344  -0.173  -3.194
  401   2HB   GLU  48           HB1      GLU  48  68.395  -1.648  -3.089
  402   1HG   GLU  48           HG2      GLU  48  69.655  -0.839  -5.697
  403   2HG   GLU  48           HG1      GLU  48  70.610  -1.668  -4.470
  404    H    ILE  49           HN       ILE  49  67.734   1.645  -2.715
  405    HA   ILE  49           HA       ILE  49  65.716   0.826  -0.809
  406    HB   ILE  49           HB       ILE  49  67.158   3.415  -1.391
  407   1HG1  ILE  49          HG12      ILE  49  67.676   1.545   0.899
  408   2HG1  ILE  49          HG11      ILE  49  68.373   1.216  -0.686
  409   1HG2  ILE  49          HG21      ILE  49  65.140   2.674   0.648
  410   2HG2  ILE  49          HG23      ILE  49  66.535   3.590   1.219
  411   3HG2  ILE  49          HG22      ILE  49  65.509   4.249  -0.054
  412   1HD1  ILE  49          HD11      ILE  49  69.110   3.744  -0.553
  413   2HD1  ILE  49          HD13      ILE  49  68.917   3.500   1.183
  414   3HD1  ILE  49          HD12      ILE  49  70.056   2.508   0.273
  415    H    LYS  50           HN       LYS  50  65.938   3.374  -3.258
  416    HA   LYS  50           HA       LYS  50  63.324   4.477  -2.968
  417   1HB   LYS  50           HB2      LYS  50  65.184   5.495  -4.227
  418   2HB   LYS  50           HB1      LYS  50  65.127   4.176  -5.397
  419   1HG   LYS  50           HG2      LYS  50  63.049   4.866  -6.261
  420   2HG   LYS  50           HG1      LYS  50  62.680   5.843  -4.840
  421   1HD   LYS  50           HD2      LYS  50  63.335   7.531  -6.265
  422   2HD   LYS  50           HD1      LYS  50  64.915   7.105  -5.607
  423   1HE   LYS  50           HE2      LYS  50  65.226   7.130  -7.979
  424   2HE   LYS  50           HE1      LYS  50  65.059   5.411  -7.570
  425   1HZ   LYS  50           HZ2      LYS  50  62.638   5.659  -7.945
  426   2HZ   LYS  50           HZ1      LYS  50  62.915   7.232  -8.523
  427   3HZ   LYS  50           HZ3      LYS  50  63.558   5.901  -9.353
  428    H    GLU  51           HN       GLU  51  64.498   1.592  -4.563
  429    HA   GLU  51           HA       GLU  51  62.184   1.047  -6.206
  430   1HB   GLU  51           HB2      GLU  51  64.463   0.119  -6.505
  431   2HB   GLU  51           HB1      GLU  51  64.300  -0.752  -4.980
  432   1HG   GLU  51           HG2      GLU  51  63.577  -2.437  -6.352
  433   2HG   GLU  51           HG1      GLU  51  62.041  -1.577  -6.220
  434    H    ALA  52           HN       ALA  52  62.983   0.551  -2.840
  435    HA   ALA  52           HA       ALA  52  61.206  -1.532  -2.098
  436   1HB   ALA  52           HB2      ALA  52  63.001   0.126  -0.895
  437   2HB   ALA  52           HB1      ALA  52  61.490   0.825  -0.313
  438   3HB   ALA  52           HB3      ALA  52  61.858  -0.869   0.006
  439    H    TYR  53           HN       TYR  53  60.523   1.636  -3.263
  440    HA   TYR  53           HA       TYR  53  57.972   2.008  -1.993
  441   1HB   TYR  53           HB2      TYR  53  59.148   3.043  -4.586
  442   2HB   TYR  53           HB1      TYR  53  57.722   3.712  -3.794
  443    HD1  TYR  53           HD1      TYR  53  59.029   3.008  -0.939
  444    HD2  TYR  53           HD2      TYR  53  60.256   5.277  -4.372
  445    HE1  TYR  53           HE1      TYR  53  60.479   4.386   0.501
  446    HE2  TYR  53           HE2      TYR  53  61.712   6.659  -2.929
  447    HH   TYR  53           HH       TYR  53  61.964   6.032   0.577
  448    H    GLU  54           HN       GLU  54  59.011   0.524  -5.035
  449    HA   GLU  54           HA       GLU  54  56.485   0.038  -6.226
  450   1HB   GLU  54           HB2      GLU  54  58.698  -2.022  -6.144
  451   2HB   GLU  54           HB1      GLU  54  57.636  -1.610  -7.489
  452   1HG   GLU  54           HG2      GLU  54  58.933   0.778  -6.872
  453   2HG   GLU  54           HG1      GLU  54  60.189  -0.452  -6.739
  454    H    VAL  55           HN       VAL  55  58.018  -1.262  -3.411
  455    HA   VAL  55           HA       VAL  55  56.083  -3.467  -3.217
  456    HB   VAL  55           HB       VAL  55  58.780  -3.008  -2.511
  457   1HG1  VAL  55          HG11      VAL  55  56.972  -3.372  -0.109
  458   2HG1  VAL  55          HG13      VAL  55  58.693  -3.751  -0.094
  459   3HG1  VAL  55          HG12      VAL  55  58.159  -2.094  -0.367
  460   1HG2  VAL  55          HG22      VAL  55  56.893  -5.140  -2.786
  461   2HG2  VAL  55          HG21      VAL  55  58.654  -5.216  -2.863
  462   3HG2  VAL  55          HG23      VAL  55  57.831  -5.402  -1.314
  463    H    LEU  56           HN       LEU  56  57.192  -0.674  -1.234
  464    HA   LEU  56           HA       LEU  56  54.867  -1.106   0.533
  465   1HB   LEU  56           HB2      LEU  56  56.377  -0.354   2.008
  466   2HB   LEU  56           HB1      LEU  56  57.507  -0.049   0.698
  467    HG   LEU  56           HG       LEU  56  57.148   1.962   2.034
  468   1HD1  LEU  56          HD13      LEU  56  56.761   1.704  -0.766
  469   2HD1  LEU  56          HD12      LEU  56  55.747   3.019  -0.184
  470   3HD1  LEU  56          HD11      LEU  56  57.485   3.046   0.113
  471   1HD2  LEU  56          HD22      LEU  56  54.452   1.062   2.006
  472   2HD2  LEU  56          HD21      LEU  56  55.121   2.450   2.866
  473   3HD2  LEU  56          HD23      LEU  56  54.489   2.647   1.231
  474    H    THR  57           HN       THR  57  55.645   1.085  -2.152
  475    HA   THR  57           HA       THR  57  53.477   2.953  -1.374
  476    HB   THR  57           HB       THR  57  54.094   4.128  -3.446
  477    HG1  THR  57           HG1      THR  57  56.144   2.919  -4.365
  478   1HG2  THR  57          HG23      THR  57  55.528   4.364  -1.369
  479   2HG2  THR  57          HG22      THR  57  56.646   3.223  -2.113
  480   3HG2  THR  57          HG21      THR  57  56.328   4.767  -2.887
  481    H    ASP  58           HN       ASP  58  52.652   0.206  -1.793
  482    HA   ASP  58           HA       ASP  58  50.620   0.676  -3.892
  483   1HB   ASP  58           HB2      ASP  58  53.003  -0.880  -4.249
  484   2HB   ASP  58           HB1      ASP  58  51.615  -1.973  -4.238
  485    H    SER  59           HN       SER  59  48.796   0.280  -2.904
  486    HA   SER  59           HA       SER  59  48.329  -0.827  -0.482
  487   1HB   SER  59           HB2      SER  59  46.743  -0.914  -3.040
  488   2HB   SER  59           HB1      SER  59  46.061  -1.493  -1.524
  489    HG   SER  59           HG       SER  59  46.937   0.702  -0.767
  490    H    GLN  60           HN       GLN  60  48.473  -2.705  -3.519
  491    HA   GLN  60           HA       GLN  60  47.985  -5.261  -2.253
  492   1HB   GLN  60           HB2      GLN  60  47.584  -4.785  -4.627
  493   2HB   GLN  60           HB1      GLN  60  49.303  -4.465  -4.869
  494   1HG   GLN  60           HG2      GLN  60  49.141  -6.997  -3.620
  495   2HG   GLN  60           HG1      GLN  60  47.920  -6.996  -4.893
  496   1HE2  GLN  60          HE22      GLN  60  51.557  -7.725  -6.088
  497   2HE2  GLN  60          HE21      GLN  60  50.848  -8.161  -4.610
  498    H    LYS  61           HN       LYS  61  50.923  -3.471  -3.119
  499    HA   LYS  61           HA       LYS  61  52.777  -5.596  -2.388
  500   1HB   LYS  61           HB2      LYS  61  53.178  -2.623  -2.702
  501   2HB   LYS  61           HB1      LYS  61  54.409  -3.872  -2.830
  502   1HG   LYS  61           HG2      LYS  61  51.996  -3.715  -4.637
  503   2HG   LYS  61           HG1      LYS  61  53.564  -3.014  -5.039
  504   1HD   LYS  61           HD2      LYS  61  53.966  -5.712  -4.146
  505   2HD   LYS  61           HD1      LYS  61  52.718  -5.712  -5.392
  506   1HE   LYS  61           HE2      LYS  61  55.325  -4.210  -5.750
  507   2HE   LYS  61           HE1      LYS  61  55.129  -5.902  -6.247
  508   1HZ   LYS  61           HZ1      LYS  61  52.956  -5.024  -7.306
  509   2HZ   LYS  61           HZ3      LYS  61  53.714  -3.509  -7.229
  510   3HZ   LYS  61           HZ2      LYS  61  54.426  -4.769  -8.119
  511    H    ARG  62           HN       ARG  62  51.926  -2.499  -0.832
  512    HA   ARG  62           HA       ARG  62  53.520  -3.056   1.483
  513   1HB   ARG  62           HB2      ARG  62  52.383  -1.069   2.350
  514   2HB   ARG  62           HB1      ARG  62  52.672  -0.825   0.625
  515   1HG   ARG  62           HG2      ARG  62  50.362  -1.704   0.185
  516   2HG   ARG  62           HG1      ARG  62  50.092  -1.732   1.925
  517   1HD   ARG  62           HD2      ARG  62  51.149   0.832   0.870
  518   2HD   ARG  62           HD1      ARG  62  49.492   0.425   0.376
  519    HE   ARG  62           HE       ARG  62  49.994  -0.061   3.212
  520   1HH1  ARG  62          HH21      ARG  62  47.386   0.832   1.933
  521   2HH1  ARG  62          HH22      ARG  62  47.259   2.456   2.520
  522   1HH2  ARG  62          HH11      ARG  62  50.581   2.647   3.494
  523   2HH2  ARG  62          HH12      ARG  62  49.068   3.485   3.400
  524    H    ALA  63           HN       ALA  63  50.336  -4.020   0.501
  525    HA   ALA  63           HA       ALA  63  49.485  -4.777   3.234
  526   1HB   ALA  63           HB3      ALA  63  47.909  -3.850   1.559
  527   2HB   ALA  63           HB2      ALA  63  48.260  -5.205   0.485
  528   3HB   ALA  63           HB1      ALA  63  47.441  -5.486   2.023
  529    H    ALA  64           HN       ALA  64  51.069  -6.138   0.491
  530    HA   ALA  64           HA       ALA  64  50.530  -8.938   1.263
  531   1HB   ALA  64           HB3      ALA  64  51.832  -7.412  -0.959
  532   2HB   ALA  64           HB2      ALA  64  52.283  -9.102  -0.738
  533   3HB   ALA  64           HB1      ALA  64  50.601  -8.671  -1.045
  534    H    TYR  65           HN       TYR  65  53.221  -6.615   1.252
  535    HA   TYR  65           HA       TYR  65  55.145  -8.559   2.265
  536   1HB   TYR  65           HB2      TYR  65  55.009  -5.646   1.577
  537   2HB   TYR  65           HB1      TYR  65  56.385  -6.230   2.527
  538    HD1  TYR  65           HD2      TYR  65  57.639  -8.300   1.652
  539    HD2  TYR  65           HD1      TYR  65  54.962  -5.964  -0.759
  540    HE1  TYR  65           HE2      TYR  65  58.651  -9.261  -0.397
  541    HE2  TYR  65           HE1      TYR  65  55.971  -6.929  -2.813
  542    HH   TYR  65           HH       TYR  65  58.488  -8.021  -3.285
  543    H    ASP  66           HN       ASP  66  52.863  -6.336   3.723
  544    HA   ASP  66           HA       ASP  66  54.201  -6.015   6.259
  545   1HB   ASP  66           HB2      ASP  66  52.221  -4.927   6.857
  546   2HB   ASP  66           HB1      ASP  66  52.130  -4.828   5.101
  547    H    GLN  67           HN       GLN  67  52.504  -8.632   4.777
  548    HA   GLN  67           HA       GLN  67  52.553 -10.138   7.375
  549   1HB   GLN  67           HB2      GLN  67  50.561 -11.352   6.290
  550   2HB   GLN  67           HB1      GLN  67  50.271  -9.690   6.806
  551   1HG   GLN  67           HG2      GLN  67  50.425  -8.856   4.593
  552   2HG   GLN  67           HG1      GLN  67  51.184 -10.335   4.002
  553   1HE2  GLN  67          HE22      GLN  67  47.581 -10.452   3.029
  554   2HE2  GLN  67          HE21      GLN  67  48.888  -9.426   2.680
  555    H    TYR  68           HN       TYR  68  54.214  -9.852   4.629
  556    HA   TYR  68           HA       TYR  68  55.396 -11.345   3.208
  557   1HB   TYR  68           HB2      TYR  68  55.332 -12.351   6.005
  558   2HB   TYR  68           HB1      TYR  68  55.886 -13.504   4.786
  559    HD1  TYR  68           HD2      TYR  68  57.534 -12.404   2.960
  560    HD2  TYR  68           HD1      TYR  68  56.943 -10.975   6.967
  561    HE1  TYR  68           HE2      TYR  68  59.741 -11.275   2.882
  562    HE2  TYR  68           HE1      TYR  68  59.150  -9.846   6.890
  563    HH   TYR  68           HH       TYR  68  61.120  -9.739   5.740
  564    H    GLY  69           HN       GLY  69  52.483 -11.499   3.047
  565   1HA   GLY  69           HA2      GLY  69  51.159 -12.936   1.640
  566   2HA   GLY  69           HA1      GLY  69  52.260 -14.268   2.009
  567    H    HIS  70           HN       HIS  70  49.488 -14.642   2.270
  568    HA   HIS  70           HA       HIS  70  48.647 -14.165   5.014
  569   1HB   HIS  70           HB2      HIS  70  46.667 -15.301   4.306
  570   2HB   HIS  70           HB1      HIS  70  47.253 -14.472   2.860
  571    HD1  HIS  70           HD1      HIS  70  46.383 -17.786   4.136
  572    HD2  HIS  70           HD2      HIS  70  48.801 -16.289   1.088
  573    HE1  HIS  70           HE1      HIS  70  46.856 -19.727   2.579
  574    H    ALA  71           HN       ALA  71  50.972 -16.184   3.814
  575    HA   ALA  71           HA       ALA  71  50.382 -18.655   5.232
  576   1HB   ALA  71           HB3      ALA  71  52.334 -17.534   3.409
  577   2HB   ALA  71           HB2      ALA  71  53.152 -18.387   4.718
  578   3HB   ALA  71           HB1      ALA  71  51.966 -19.230   3.723
  579    H    ALA  72           HN       ALA  72  52.212 -15.700   5.909
  580    HA   ALA  72           HA       ALA  72  53.715 -16.439   8.154
  581   1HB   ALA  72           HB1      ALA  72  53.419 -14.195   6.872
  582   2HB   ALA  72           HB3      ALA  72  52.098 -13.891   8.001
  583   3HB   ALA  72           HB2      ALA  72  53.742 -14.110   8.604
  584    H    PHE  73           HN       PHE  73  50.261 -16.220   7.805
  585    HA   PHE  73           HA       PHE  73  49.798 -16.232  10.738
  586   1HB   PHE  73           HB2      PHE  73  48.222 -15.880   8.216
  587   2HB   PHE  73           HB1      PHE  73  47.361 -16.409   9.667
  588    HD1  PHE  73           HD1      PHE  73  49.982 -13.901   8.685
  589    HD2  PHE  73           HD2      PHE  73  46.512 -14.758  11.068
  590    HE1  PHE  73           HE1      PHE  73  49.999 -11.576   9.545
  591    HE2  PHE  73           HE2      PHE  73  46.529 -12.432  11.928
  592    HZ   PHE  73           HZ       PHE  73  48.272 -10.840  11.165
  593    H    GLU  74           HN       GLU  74  50.002 -18.425   8.056
  594    HA   GLU  74           HA       GLU  74  49.383 -20.698   9.869
  595   1HB   GLU  74           HB2      GLU  74  48.065 -20.271   7.167
  596   2HB   GLU  74           HB1      GLU  74  47.745 -21.588   8.295
  597   1HG   GLU  74           HG2      GLU  74  47.040 -19.851   9.989
  598   2HG   GLU  74           HG1      GLU  74  47.157 -18.645   8.707
  599    H    GLN  75           HN       GLN  75  51.320 -21.797   9.665
  600    HA   GLN  75           HA       GLN  75  52.543 -22.020   6.943
  601   1HB   GLN  75           HB2      GLN  75  53.496 -22.018   9.781
  602   2HB   GLN  75           HB1      GLN  75  54.451 -22.903   8.589
  603   1HG   GLN  75           HG2      GLN  75  54.929 -20.979   7.347
  604   2HG   GLN  75           HG1      GLN  75  53.540 -20.101   7.992
  605   1HE2  GLN  75          HE22      GLN  75  55.559 -18.566  10.421
  606   2HE2  GLN  75          HE21      GLN  75  54.269 -18.443   9.325
  607    H    GLY  76           HN       GLY  76  53.970 -24.269   7.059
  608   1HA   GLY  76           HA2      GLY  76  52.254 -26.462   8.086
  609   2HA   GLY  76           HA1      GLY  76  52.588 -26.425   6.353
  610    H    GLY  77           HN       GLY  77  53.496 -28.648   7.401
  611   1HA   GLY  77           HA2      GLY  77  56.162 -28.916   6.860
  612   2HA   GLY  77           HA1      GLY  77  56.185 -28.355   8.533
   
  No H/Q in entry =         612
  Start of MODEL   15
    1   1H    ALA   1           HT1      ALA   1  67.121 -12.469   3.021
    2   2H    ALA   1           HT3      ALA   1  68.358 -12.389   1.863
    3   3H    ALA   1           HT2      ALA   1  67.677 -13.889   2.273
    4    HA   ALA   1           HA       ALA   1  68.771 -14.013   4.288
    5   1HB   ALA   1           HB1      ALA   1  70.138 -13.198   1.911
    6   2HB   ALA   1           HB3      ALA   1  70.979 -12.490   3.289
    7   3HB   ALA   1           HB2      ALA   1  70.739 -14.235   3.205
    8    H    LYS   2           HN       LYS   2  67.478 -12.571   5.704
    9    HA   LYS   2           HA       LYS   2  67.197 -10.689   7.114
   10   1HB   LYS   2           HB2      LYS   2  70.214 -10.639   6.795
   11   2HB   LYS   2           HB1      LYS   2  69.282 -10.111   8.198
   12   1HG   LYS   2           HG2      LYS   2  68.380 -12.664   7.949
   13   2HG   LYS   2           HG1      LYS   2  70.030 -12.849   7.351
   14   1HD   LYS   2           HD2      LYS   2  70.862 -11.710   9.410
   15   2HD   LYS   2           HD1      LYS   2  69.206 -11.655  10.014
   16   1HE   LYS   2           HE2      LYS   2  69.350 -14.288   9.418
   17   2HE   LYS   2           HE1      LYS   2  71.056 -13.978   9.794
   18   1HZ   LYS   2           HZ2      LYS   2  69.447 -12.573  11.624
   19   2HZ   LYS   2           HZ1      LYS   2  68.926 -14.190  11.591
   20   3HZ   LYS   2           HZ3      LYS   2  70.546 -13.830  11.936
   21    H    GLN   3           HN       GLN   3  66.536  -9.833   4.654
   22    HA   GLN   3           HA       GLN   3  67.417  -7.051   4.622
   23   1HB   GLN   3           HB2      GLN   3  68.385  -7.261   2.292
   24   2HB   GLN   3           HB1      GLN   3  69.335  -8.068   3.539
   25   1HG   GLN   3           HG2      GLN   3  68.028 -10.189   2.964
   26   2HG   GLN   3           HG1      GLN   3  67.448  -9.326   1.538
   27   1HE2  GLN   3          HE22      GLN   3  71.108  -8.954   0.560
   28   2HE2  GLN   3          HE21      GLN   3  69.970  -7.828   1.124
   29    H    ASP   4           HN       ASP   4  65.825  -5.812   3.630
   30    HA   ASP   4           HA       ASP   4  64.123  -6.717   1.492
   31   1HB   ASP   4           HB2      ASP   4  62.574  -7.903   2.639
   32   2HB   ASP   4           HB1      ASP   4  63.585  -7.749   4.074
   33    H    TYR   5           HN       TYR   5  63.144  -5.061   0.601
   34    HA   TYR   5           HA       TYR   5  63.731  -2.438   0.926
   35   1HB   TYR   5           HB2      TYR   5  60.928  -2.474   0.426
   36   2HB   TYR   5           HB1      TYR   5  62.256  -2.279  -0.709
   37    HD1  TYR   5           HD2      TYR   5  60.493  -4.979   1.184
   38    HD2  TYR   5           HD1      TYR   5  62.592  -3.816  -2.371
   39    HE1  TYR   5           HE2      TYR   5  60.069  -7.218   0.205
   40    HE2  TYR   5           HE1      TYR   5  62.179  -6.057  -3.355
   41    HH   TYR   5           HH       TYR   5  61.476  -8.154  -2.915
   42    H    TYR   6           HN       TYR   6  60.779  -3.747   2.517
   43    HA   TYR   6           HA       TYR   6  60.200  -1.539   4.140
   44   1HB   TYR   6           HB2      TYR   6  59.933  -4.512   4.410
   45   2HB   TYR   6           HB1      TYR   6  59.473  -3.476   5.765
   46    HD1  TYR   6           HD1      TYR   6  57.699  -1.778   5.514
   47    HD2  TYR   6           HD2      TYR   6  58.660  -4.511   2.344
   48    HE1  TYR   6           HE1      TYR   6  55.567  -1.215   4.385
   49    HE2  TYR   6           HE2      TYR   6  56.526  -3.948   1.214
   50    HH   TYR   6           HH       TYR   6  54.058  -2.862   2.390
   51    H    GLU   7           HN       GLU   7  62.730  -3.940   4.408
   52    HA   GLU   7           HA       GLU   7  63.684  -2.861   7.005
   53   1HB   GLU   7           HB2      GLU   7  64.057  -5.224   5.279
   54   2HB   GLU   7           HB1      GLU   7  65.553  -4.646   6.014
   55   1HG   GLU   7           HG2      GLU   7  64.305  -4.596   8.231
   56   2HG   GLU   7           HG1      GLU   7  63.004  -5.470   7.422
   57    H    ILE   8           HN       ILE   8  64.343  -2.737   3.553
   58    HA   ILE   8           HA       ILE   8  66.941  -1.713   3.453
   59    HB   ILE   8           HB       ILE   8  64.463  -1.155   1.839
   60   1HG1  ILE   8          HG12      ILE   8  65.510  -3.488   1.920
   61   2HG1  ILE   8          HG11      ILE   8  65.426  -2.776   0.309
   62   1HG2  ILE   8          HG22      ILE   8  67.333  -0.319   1.368
   63   2HG2  ILE   8          HG21      ILE   8  66.108  -0.344   0.099
   64   3HG2  ILE   8          HG23      ILE   8  65.917   0.726   1.488
   65   1HD1  ILE   8          HD13      ILE   8  67.875  -2.218   1.899
   66   2HD1  ILE   8          HD12      ILE   8  67.682  -3.855   1.272
   67   3HD1  ILE   8          HD11      ILE   8  67.692  -2.482   0.165
   68    H    LEU   9           HN       LEU   9  63.861  -0.039   3.920
   69    HA   LEU   9           HA       LEU   9  65.130   2.600   4.340
   70   1HB   LEU   9           HB2      LEU   9  62.276   1.723   4.832
   71   2HB   LEU   9           HB1      LEU   9  62.854   3.337   4.420
   72    HG   LEU   9           HG       LEU   9  63.728   1.477   2.414
   73   1HD1  LEU   9          HD13      LEU   9  61.367   0.585   3.542
   74   2HD1  LEU   9          HD12      LEU   9  60.804   1.574   2.195
   75   3HD1  LEU   9          HD11      LEU   9  61.907   0.231   1.902
   76   1HD2  LEU   9          HD21      LEU   9  63.407   3.935   2.182
   77   2HD2  LEU   9          HD23      LEU   9  62.518   3.032   0.953
   78   3HD2  LEU   9          HD22      LEU   9  61.668   3.700   2.346
   79    H    GLY  10           HN       GLY  10  65.105  -0.096   6.149
   80   1HA   GLY  10           HA2      GLY  10  65.569  -0.415   8.427
   81   2HA   GLY  10           HA1      GLY  10  65.462   1.332   8.645
   82    H    VAL  11           HN       VAL  11  62.757  -0.249   7.091
   83    HA   VAL  11           HA       VAL  11  61.227   0.182   9.641
   84    HB   VAL  11           HB       VAL  11  59.504  -0.144   7.412
   85   1HG1  VAL  11          HG11      VAL  11  60.342   2.246   9.049
   86   2HG1  VAL  11          HG13      VAL  11  58.989   2.257   7.917
   87   3HG1  VAL  11          HG12      VAL  11  58.954   1.191   9.322
   88   1HG2  VAL  11          HG22      VAL  11  61.899   1.551   6.825
   89   2HG2  VAL  11          HG21      VAL  11  61.022   0.445   5.765
   90   3HG2  VAL  11          HG23      VAL  11  60.315   1.999   6.200
   91    H    SER  12           HN       SER  12  59.166  -1.247   9.651
   92    HA   SER  12           HA       SER  12  60.014  -4.053   9.370
   93   1HB   SER  12           HB2      SER  12  57.416  -3.963  10.331
   94   2HB   SER  12           HB1      SER  12  58.867  -3.980  11.328
   95    HG   SER  12           HG       SER  12  57.072  -2.032  11.007
   96    H    LYS  13           HN       LYS  13  58.811  -5.600   8.102
   97    HA   LYS  13           HA       LYS  13  57.955  -4.781   5.553
   98   1HB   LYS  13           HB2      LYS  13  57.210  -7.008   5.323
   99   2HB   LYS  13           HB1      LYS  13  58.527  -7.086   6.492
  100   1HG   LYS  13           HG2      LYS  13  56.476  -6.655   8.190
  101   2HG   LYS  13           HG1      LYS  13  55.604  -7.488   6.905
  102   1HD   LYS  13           HD2      LYS  13  56.594  -9.479   7.361
  103   2HD   LYS  13           HD1      LYS  13  58.177  -8.737   7.602
  104   1HE   LYS  13           HE2      LYS  13  56.747  -7.798   9.780
  105   2HE   LYS  13           HE1      LYS  13  56.147  -9.458   9.597
  106   1HZ   LYS  13           HZ2      LYS  13  59.023  -8.733   9.494
  107   2HZ   LYS  13           HZ1      LYS  13  58.247  -9.267  10.908
  108   3HZ   LYS  13           HZ3      LYS  13  58.356 -10.294   9.562
  109    H    THR  14           HN       THR  14  56.371  -4.603   8.589
  110    HA   THR  14           HA       THR  14  53.740  -4.009   7.320
  111    HB   THR  14           HB       THR  14  52.832  -4.632   9.408
  112    HG1  THR  14           HG1      THR  14  54.089  -3.214  10.652
  113   1HG2  THR  14          HG22      THR  14  54.480  -6.383   8.208
  114   2HG2  THR  14          HG21      THR  14  55.307  -6.253   9.759
  115   3HG2  THR  14          HG23      THR  14  53.623  -6.773   9.699
  116    H    ALA  15           HN       ALA  15  56.433  -2.344   7.825
  117    HA   ALA  15           HA       ALA  15  56.040  -0.208   9.572
  118   1HB   ALA  15           HB2      ALA  15  58.021  -0.795   8.258
  119   2HB   ALA  15           HB1      ALA  15  57.194  -0.277   6.788
  120   3HB   ALA  15           HB3      ALA  15  57.580   0.893   8.042
  121    H    GLU  16           HN       GLU  16  56.250   1.795   7.289
  122    HA   GLU  16           HA       GLU  16  53.628   2.069   6.091
  123   1HB   GLU  16           HB2      GLU  16  54.174   3.021   8.788
  124   2HB   GLU  16           HB1      GLU  16  53.745   4.363   7.722
  125   1HG   GLU  16           HG2      GLU  16  52.023   2.119   7.178
  126   2HG   GLU  16           HG1      GLU  16  51.993   2.479   8.906
  127    H    GLU  17           HN       GLU  17  53.955   3.326   4.312
  128    HA   GLU  17           HA       GLU  17  56.205   4.171   3.136
  129   1HB   GLU  17           HB2      GLU  17  53.772   4.495   2.457
  130   2HB   GLU  17           HB1      GLU  17  53.822   6.019   3.346
  131   1HG   GLU  17           HG2      GLU  17  56.118   6.151   1.824
  132   2HG   GLU  17           HG1      GLU  17  54.991   5.337   0.738
  133    H    ARG  18           HN       ARG  18  54.472   6.599   5.125
  134    HA   ARG  18           HA       ARG  18  56.193   8.684   5.219
  135   1HB   ARG  18           HB2      ARG  18  55.482   8.881   7.674
  136   2HB   ARG  18           HB1      ARG  18  54.185   8.697   6.493
  137   1HG   ARG  18           HG2      ARG  18  54.438   6.142   6.951
  138   2HG   ARG  18           HG1      ARG  18  55.286   6.651   8.412
  139   1HD   ARG  18           HD2      ARG  18  52.854   6.315   8.838
  140   2HD   ARG  18           HD1      ARG  18  53.316   8.014   9.070
  141    HE   ARG  18           HE       ARG  18  52.559   7.469   6.321
  142   1HH1  ARG  18          HH21      ARG  18  51.530   8.359   9.489
  143   2HH1  ARG  18          HH22      ARG  18  49.992   8.956   8.963
  144   1HH2  ARG  18          HH11      ARG  18  50.506   8.138   5.635
  145   2HH2  ARG  18          HH12      ARG  18  49.413   8.830   6.785
  146    H    GLU  19           HN       GLU  19  56.668   5.902   7.423
  147    HA   GLU  19           HA       GLU  19  59.231   6.904   8.349
  148   1HB   GLU  19           HB2      GLU  19  59.179   4.644   9.504
  149   2HB   GLU  19           HB1      GLU  19  57.803   5.676   9.858
  150   1HG   GLU  19           HG2      GLU  19  56.372   4.430   8.435
  151   2HG   GLU  19           HG1      GLU  19  57.728   3.639   7.629
  152    H    ILE  20           HN       ILE  20  58.054   5.052   5.739
  153    HA   ILE  20           HA       ILE  20  60.579   3.612   5.221
  154    HB   ILE  20           HB       ILE  20  57.808   3.429   4.575
  155   1HG1  ILE  20          HG12      ILE  20  59.061   1.420   3.166
  156   2HG1  ILE  20          HG11      ILE  20  60.261   1.836   4.385
  157   1HG2  ILE  20          HG23      ILE  20  59.556   3.783   2.131
  158   2HG2  ILE  20          HG22      ILE  20  57.954   3.061   2.110
  159   3HG2  ILE  20          HG21      ILE  20  58.146   4.745   2.571
  160   1HD1  ILE  20          HD12      ILE  20  58.201   1.792   6.019
  161   2HD1  ILE  20          HD11      ILE  20  57.464   0.808   4.756
  162   3HD1  ILE  20          HD13      ILE  20  58.955   0.275   5.532
  163    H    ARG  21           HN       ARG  21  58.582   6.143   3.723
  164    HA   ARG  21           HA       ARG  21  60.500   6.927   1.717
  165   1HB   ARG  21           HB2      ARG  21  59.033   8.958   1.639
  166   2HB   ARG  21           HB1      ARG  21  58.090   7.468   1.646
  167   1HG   ARG  21           HG2      ARG  21  56.964   8.586   3.312
  168   2HG   ARG  21           HG1      ARG  21  58.234   7.866   4.295
  169   1HD   ARG  21           HD2      ARG  21  59.023   9.914   4.848
  170   2HD   ARG  21           HD1      ARG  21  59.168  10.352   3.136
  171    HE   ARG  21           HE       ARG  21  56.695  10.696   4.772
  172   1HH1  ARG  21          HH11      ARG  21  56.168  10.198   1.857
  173   2HH1  ARG  21          HH12      ARG  21  56.144  11.807   1.217
  174   1HH2  ARG  21          HH21      ARG  21  57.707  13.214   3.975
  175   2HH2  ARG  21          HH22      ARG  21  57.019  13.513   2.414
  176    H    LYS  22           HN       LYS  22  59.920   7.710   5.063
  177    HA   LYS  22           HA       LYS  22  61.530  10.033   5.362
  178   1HB   LYS  22           HB2      LYS  22  59.962   9.408   7.050
  179   2HB   LYS  22           HB1      LYS  22  60.621   7.774   7.160
  180   1HG   LYS  22           HG2      LYS  22  61.300   9.400   9.033
  181   2HG   LYS  22           HG1      LYS  22  62.610   8.532   8.235
  182   1HD   LYS  22           HD2      LYS  22  63.307  10.825   8.374
  183   2HD   LYS  22           HD1      LYS  22  62.854  10.551   6.692
  184   1HE   LYS  22           HE2      LYS  22  60.955  11.864   6.846
  185   2HE   LYS  22           HE1      LYS  22  60.717  11.497   8.567
  186   1HZ   LYS  22           HZ1      LYS  22  63.178  12.873   7.796
  187   2HZ   LYS  22           HZ3      LYS  22  61.747  13.784   7.780
  188   3HZ   LYS  22           HZ2      LYS  22  62.252  13.022   9.213
  189    H    ALA  23           HN       ALA  23  62.365   6.622   6.151
  190    HA   ALA  23           HA       ALA  23  65.042   6.954   6.886
  191   1HB   ALA  23           HB2      ALA  23  63.268   4.882   6.231
  192   2HB   ALA  23           HB1      ALA  23  64.642   4.651   5.151
  193   3HB   ALA  23           HB3      ALA  23  64.891   4.697   6.895
  194    H    TYR  24           HN       TYR  24  63.758   6.471   3.597
  195    HA   TYR  24           HA       TYR  24  66.288   6.731   2.235
  196   1HB   TYR  24           HB2      TYR  24  64.048   5.736   1.450
  197   2HB   TYR  24           HB1      TYR  24  63.511   7.398   1.216
  198    HD1  TYR  24           HD1      TYR  24  66.924   5.985   0.661
  199    HD2  TYR  24           HD2      TYR  24  63.379   7.615  -1.135
  200    HE1  TYR  24           HE1      TYR  24  68.080   6.088  -1.529
  201    HE2  TYR  24           HE2      TYR  24  64.535   7.716  -3.327
  202    HH   TYR  24           HH       TYR  24  66.583   7.623  -4.328
  203    H    LYS  25           HN       LYS  25  64.035   8.862   3.684
  204    HA   LYS  25           HA       LYS  25  64.847  11.273   2.258
  205   1HB   LYS  25           HB2      LYS  25  62.800  10.249   3.979
  206   2HB   LYS  25           HB1      LYS  25  63.452  11.711   4.708
  207   1HG   LYS  25           HG2      LYS  25  62.047  12.810   3.295
  208   2HG   LYS  25           HG1      LYS  25  63.247  12.431   2.057
  209   1HD   LYS  25           HD2      LYS  25  62.081  10.387   1.472
  210   2HD   LYS  25           HD1      LYS  25  60.946  10.612   2.801
  211   1HE   LYS  25           HE2      LYS  25  59.620  11.733   1.330
  212   2HE   LYS  25           HE1      LYS  25  60.840  13.023   1.343
  213   1HZ   LYS  25           HZ1      LYS  25  62.101  11.673  -0.307
  214   2HZ   LYS  25           HZ3      LYS  25  60.757  10.647  -0.435
  215   3HZ   LYS  25           HZ2      LYS  25  60.627  12.278  -0.893
  216    H    ARG  26           HN       ARG  26  65.362   9.788   5.455
  217    HA   ARG  26           HA       ARG  26  67.107  11.992   6.315
  218   1HB   ARG  26           HB2      ARG  26  65.712   9.663   7.440
  219   2HB   ARG  26           HB1      ARG  26  67.288   9.974   8.173
  220   1HG   ARG  26           HG2      ARG  26  66.509  12.454   8.253
  221   2HG   ARG  26           HG1      ARG  26  64.890  11.791   8.028
  222   1HD   ARG  26           HD2      ARG  26  65.200  11.944  10.399
  223   2HD   ARG  26           HD1      ARG  26  65.444  10.230  10.009
  224    HE   ARG  26           HE       ARG  26  67.941  11.590   9.739
  225   1HH1  ARG  26          HH21      ARG  26  67.036   9.092  11.414
  226   2HH1  ARG  26          HH22      ARG  26  67.587   9.584  12.979
  227   1HH2  ARG  26          HH11      ARG  26  68.064  12.892  12.064
  228   2HH2  ARG  26          HH12      ARG  26  68.169  11.734  13.347
  229    H    LEU  27           HN       LEU  27  67.428   8.574   5.339
  230    HA   LEU  27           HA       LEU  27  70.299   8.512   5.845
  231   1HB   LEU  27           HB2      LEU  27  70.056   6.252   5.392
  232   2HB   LEU  27           HB1      LEU  27  68.397   6.653   5.835
  233    HG   LEU  27           HG       LEU  27  68.271   7.202   3.208
  234   1HD1  LEU  27          HD11      LEU  27  70.700   6.562   2.952
  235   2HD1  LEU  27          HD13      LEU  27  70.247   4.911   3.377
  236   3HD1  LEU  27          HD12      LEU  27  69.602   5.653   1.913
  237   1HD2  LEU  27          HD22      LEU  27  67.037   5.470   4.737
  238   2HD2  LEU  27          HD21      LEU  27  67.063   5.199   2.994
  239   3HD2  LEU  27          HD23      LEU  27  68.169   4.311   4.043
  240    H    ALA  28           HN       ALA  28  68.207   9.031   3.019
  241    HA   ALA  28           HA       ALA  28  70.504   8.890   1.205
  242   1HB   ALA  28           HB2      ALA  28  67.928   8.269   0.944
  243   2HB   ALA  28           HB1      ALA  28  67.827   9.950   0.418
  244   3HB   ALA  28           HB3      ALA  28  68.877   8.819  -0.436
  245    H    MET  29           HN       MET  29  68.524  11.406   2.737
  246    HA   MET  29           HA       MET  29  69.419  13.614   1.192
  247   1HB   MET  29           HB2      MET  29  68.862  14.916   3.207
  248   2HB   MET  29           HB1      MET  29  67.662  13.646   2.979
  249   1HG   MET  29           HG2      MET  29  68.109  12.965   5.081
  250   2HG   MET  29           HG1      MET  29  69.695  12.460   4.510
  251   1HE   MET  29           HE2      MET  29  67.678  15.455   4.875
  252   2HE   MET  29           HE1      MET  29  67.862  15.577   6.623
  253   3HE   MET  29           HE3      MET  29  68.696  16.719   5.561
  254    H    LYS  30           HN       LYS  30  70.980  11.588   3.556
  255    HA   LYS  30           HA       LYS  30  73.353  13.366   3.755
  256   1HB   LYS  30           HB2      LYS  30  72.335  10.836   5.026
  257   2HB   LYS  30           HB1      LYS  30  74.054  11.219   5.140
  258   1HG   LYS  30           HG2      LYS  30  73.703  12.965   6.563
  259   2HG   LYS  30           HG1      LYS  30  72.231  13.471   5.734
  260   1HD   LYS  30           HD2      LYS  30  71.163  12.629   7.556
  261   2HD   LYS  30           HD1      LYS  30  71.461  11.062   6.800
  262   1HE   LYS  30           HE2      LYS  30  73.487  12.357   8.645
  263   2HE   LYS  30           HE1      LYS  30  72.223  11.261   9.237
  264   1HZ   LYS  30           HZ3      LYS  30  73.064   9.895   7.142
  265   2HZ   LYS  30           HZ2      LYS  30  74.514  10.694   7.524
  266   3HZ   LYS  30           HZ1      LYS  30  73.753   9.706   8.679
  267    H    TYR  31           HN       TYR  31  72.151  10.661   1.987
  268    HA   TYR  31           HA       TYR  31  74.860  10.014   0.893
  269   1HB   TYR  31           HB2      TYR  31  72.415   8.561   1.612
  270   2HB   TYR  31           HB1      TYR  31  73.023   8.131   0.012
  271    HD1  TYR  31           HD1      TYR  31  75.354   9.372   2.549
  272    HD2  TYR  31           HD2      TYR  31  73.596   5.859   0.815
  273    HE1  TYR  31           HE1      TYR  31  77.112   7.980   3.593
  274    HE2  TYR  31           HE2      TYR  31  75.352   4.463   1.861
  275    HH   TYR  31           HH       TYR  31  76.921   4.529   3.671
  276    H    HIS  32           HN       HIS  32  72.751  12.160   0.201
  277    HA   HIS  32           HA       HIS  32  71.633  11.748  -2.351
  278   1HB   HIS  32           HB2      HIS  32  71.453  14.172  -2.211
  279   2HB   HIS  32           HB1      HIS  32  71.288  13.505  -0.602
  280    HD1  HIS  32           HD1      HIS  32  72.721  14.509   1.129
  281    HD2  HIS  32           HD2      HIS  32  74.456  14.882  -2.641
  282    HE1  HIS  32           HE1      HIS  32  74.860  15.825   1.448
  283    HA   PRO  33           HA       PRO  33  74.833  12.319  -5.279
  284   1HB   PRO  33           HB2      PRO  33  75.189  14.896  -6.154
  285   2HB   PRO  33           HB1      PRO  33  73.842  13.858  -6.664
  286   1HG   PRO  33           HG2      PRO  33  73.897  16.019  -4.628
  287   2HG   PRO  33           HG1      PRO  33  72.630  15.589  -5.786
  288   1HD   PRO  33           HD2      PRO  33  72.561  14.958  -3.170
  289   2HD   PRO  33           HD1      PRO  33  71.749  13.991  -4.419
  290    H    ASP  34           HN       ASP  34  75.773  12.200  -2.767
  291    HA   ASP  34           HA       ASP  34  78.105  14.068  -2.594
  292   1HB   ASP  34           HB2      ASP  34  78.100  13.458  -0.246
  293   2HB   ASP  34           HB1      ASP  34  76.418  13.765  -0.679
  294    H    ARG  35           HN       ARG  35  77.028  10.710  -2.521
  295    HA   ARG  35           HA       ARG  35  79.682   9.817  -3.516
  296   1HB   ARG  35           HB2      ARG  35  79.592   7.997  -1.821
  297   2HB   ARG  35           HB1      ARG  35  79.616   9.587  -1.055
  298   1HG   ARG  35           HG2      ARG  35  77.869   8.487   0.078
  299   2HG   ARG  35           HG1      ARG  35  77.018   9.418  -1.156
  300   1HD   ARG  35           HD2      ARG  35  76.121   7.492  -1.905
  301   2HD   ARG  35           HD1      ARG  35  77.750   6.964  -2.369
  302    HE   ARG  35           HE       ARG  35  76.315   6.046  -0.033
  303   1HH1  ARG  35          HH21      ARG  35  78.353   7.107   1.587
  304   2HH1  ARG  35          HH22      ARG  35  79.698   6.029   1.419
  305   1HH2  ARG  35          HH11      ARG  35  78.504   4.564  -1.488
  306   2HH2  ARG  35          HH12      ARG  35  79.783   4.587  -0.320
  307    H    ASN  36           HN       ASN  36  76.179   9.326  -3.122
  308    HA   ASN  36           HA       ASN  36  75.707   6.823  -4.188
  309   1HB   ASN  36           HB2      ASN  36  74.420   9.429  -4.057
  310   2HB   ASN  36           HB1      ASN  36  73.923   8.532  -5.488
  311   1HD2  ASN  36          HD22      ASN  36  73.058   6.940  -1.793
  312   2HD2  ASN  36          HD21      ASN  36  74.345   8.037  -1.940
  313    H    GLN  37           HN       GLN  37  77.026   9.619  -5.829
  314    HA   GLN  37           HA       GLN  37  76.683   8.437  -8.501
  315   1HB   GLN  37           HB2      GLN  37  78.368  10.844  -7.846
  316   2HB   GLN  37           HB1      GLN  37  77.351  10.559  -9.256
  317   1HG   GLN  37           HG2      GLN  37  75.470  10.487  -7.299
  318   2HG   GLN  37           HG1      GLN  37  76.620  11.614  -6.580
  319   1HE2  GLN  37          HE22      GLN  37  76.130  14.115  -9.117
  320   2HE2  GLN  37          HE21      GLN  37  77.276  13.511  -8.020
  321    H    GLY  38           HN       GLY  38  78.642   7.503  -6.134
  322   1HA   GLY  38           HA2      GLY  38  80.865   6.905  -8.025
  323   2HA   GLY  38           HA1      GLY  38  81.260   7.619  -6.463
  324    H    ASP  39           HN       ASP  39  78.710   5.237  -7.056
  325    HA   ASP  39           HA       ASP  39  80.313   3.241  -5.483
  326   1HB   ASP  39           HB2      ASP  39  77.901   2.643  -4.618
  327   2HB   ASP  39           HB1      ASP  39  78.746   4.028  -3.926
  328    H    LYS  40           HN       LYS  40  80.781   1.771  -7.090
  329    HA   LYS  40           HA       LYS  40  78.791   1.050  -9.142
  330   1HB   LYS  40           HB2      LYS  40  81.604   1.082  -8.752
  331   2HB   LYS  40           HB1      LYS  40  81.131  -0.583  -9.094
  332   1HG   LYS  40           HG2      LYS  40  80.501   1.861 -10.774
  333   2HG   LYS  40           HG1      LYS  40  81.577   0.531 -11.207
  334   1HD   LYS  40           HD2      LYS  40  79.363  -0.896 -10.694
  335   2HD   LYS  40           HD1      LYS  40  78.598   0.621 -11.169
  336   1HE   LYS  40           HE2      LYS  40  78.839  -0.265 -13.284
  337   2HE   LYS  40           HE1      LYS  40  80.481   0.390 -13.131
  338   1HZ   LYS  40           HZ2      LYS  40  79.845  -2.243 -11.979
  339   2HZ   LYS  40           HZ1      LYS  40  80.163  -2.121 -13.644
  340   3HZ   LYS  40           HZ3      LYS  40  81.340  -1.641 -12.519
  341    H    GLU  41           HN       GLU  41  77.880   0.366  -6.571
  342    HA   GLU  41           HA       GLU  41  77.165  -2.373  -6.835
  343   1HB   GLU  41           HB2      GLU  41  78.680  -3.065  -4.772
  344   2HB   GLU  41           HB1      GLU  41  79.357  -3.083  -6.400
  345   1HG   GLU  41           HG2      GLU  41  80.521  -1.060  -6.071
  346   2HG   GLU  41           HG1      GLU  41  79.526  -0.607  -4.689
  347    H    ALA  42           HN       ALA  42  77.942   0.281  -4.648
  348    HA   ALA  42           HA       ALA  42  75.869  -0.503  -2.701
  349   1HB   ALA  42           HB3      ALA  42  78.225   0.775  -2.480
  350   2HB   ALA  42           HB2      ALA  42  77.198   2.180  -2.765
  351   3HB   ALA  42           HB1      ALA  42  76.886   1.124  -1.387
  352    H    GLU  43           HN       GLU  43  76.212   1.300  -5.624
  353    HA   GLU  43           HA       GLU  43  74.349   3.389  -5.474
  354   1HB   GLU  43           HB2      GLU  43  75.689   2.546  -7.463
  355   2HB   GLU  43           HB1      GLU  43  74.455   1.299  -7.660
  356   1HG   GLU  43           HG2      GLU  43  72.916   2.755  -8.473
  357   2HG   GLU  43           HG1      GLU  43  73.403   4.044  -7.371
  358    H    ALA  44           HN       ALA  44  73.732  -0.076  -5.866
  359    HA   ALA  44           HA       ALA  44  70.974   0.169  -6.350
  360   1HB   ALA  44           HB2      ALA  44  72.951  -1.886  -5.785
  361   2HB   ALA  44           HB1      ALA  44  71.391  -2.288  -5.067
  362   3HB   ALA  44           HB3      ALA  44  71.513  -1.985  -6.800
  363    H    LYS  45           HN       LYS  45  72.456  -0.948  -3.265
  364    HA   LYS  45           HA       LYS  45  70.195  -0.927  -1.664
  365   1HB   LYS  45           HB2      LYS  45  72.346  -1.564  -0.789
  366   2HB   LYS  45           HB1      LYS  45  73.004   0.054  -1.079
  367   1HG   LYS  45           HG2      LYS  45  71.567   1.023   0.596
  368   2HG   LYS  45           HG1      LYS  45  70.647  -0.474   0.753
  369   1HD   LYS  45           HD2      LYS  45  72.064  -0.681   2.577
  370   2HD   LYS  45           HD1      LYS  45  73.034  -1.485   1.341
  371   1HE   LYS  45           HE2      LYS  45  74.652   0.097   1.480
  372   2HE   LYS  45           HE1      LYS  45  73.463   1.408   1.338
  373   1HZ   LYS  45           HZ1      LYS  45  73.628  -0.189   3.810
  374   2HZ   LYS  45           HZ3      LYS  45  74.702   1.100   3.567
  375   3HZ   LYS  45           HZ2      LYS  45  73.027   1.385   3.592
  376    H    PHE  46           HN       PHE  46  71.856   1.837  -3.040
  377    HA   PHE  46           HA       PHE  46  70.629   3.854  -1.361
  378   1HB   PHE  46           HB2      PHE  46  71.780   4.027  -4.165
  379   2HB   PHE  46           HB1      PHE  46  71.556   5.371  -3.050
  380    HD1  PHE  46           HD1      PHE  46  72.341   2.966  -0.822
  381    HD2  PHE  46           HD2      PHE  46  74.197   5.053  -4.084
  382    HE1  PHE  46           HE1      PHE  46  74.573   2.528   0.171
  383    HE2  PHE  46           HE2      PHE  46  76.429   4.616  -3.089
  384    HZ   PHE  46           HZ       PHE  46  76.617   3.354  -0.967
  385    H    LYS  47           HN       LYS  47  69.929   2.699  -4.705
  386    HA   LYS  47           HA       LYS  47  67.409   4.263  -4.657
  387   1HB   LYS  47           HB2      LYS  47  67.644   4.130  -6.924
  388   2HB   LYS  47           HB1      LYS  47  69.243   3.472  -6.595
  389   1HG   LYS  47           HG2      LYS  47  66.762   1.752  -6.794
  390   2HG   LYS  47           HG1      LYS  47  67.817   2.088  -8.166
  391   1HD   LYS  47           HD2      LYS  47  69.545   1.330  -6.090
  392   2HD   LYS  47           HD1      LYS  47  68.190   0.202  -5.998
  393   1HE   LYS  47           HE2      LYS  47  69.769  -0.750  -7.567
  394   2HE   LYS  47           HE1      LYS  47  68.434  -0.096  -8.536
  395   1HZ   LYS  47           HZ3      LYS  47  69.744   2.046  -8.556
  396   2HZ   LYS  47           HZ2      LYS  47  71.066   1.147  -7.983
  397   3HZ   LYS  47           HZ1      LYS  47  70.379   0.782  -9.492
  398    H    GLU  48           HN       GLU  48  68.597   1.068  -4.116
  399    HA   GLU  48           HA       GLU  48  66.372  -0.612  -4.430
  400   1HB   GLU  48           HB2      GLU  48  68.625  -0.332  -2.441
  401   2HB   GLU  48           HB1      GLU  48  67.437  -1.614  -2.236
  402   1HG   GLU  48           HG2      GLU  48  68.961  -1.153  -4.810
  403   2HG   GLU  48           HG1      GLU  48  69.496  -2.275  -3.557
  404    H    ILE  49           HN       ILE  49  67.241   1.709  -1.975
  405    HA   ILE  49           HA       ILE  49  65.120   1.288  -0.101
  406    HB   ILE  49           HB       ILE  49  66.636   3.760  -0.973
  407   1HG1  ILE  49          HG12      ILE  49  67.230   2.225   1.512
  408   2HG1  ILE  49          HG11      ILE  49  67.741   1.529  -0.024
  409   1HG2  ILE  49          HG23      ILE  49  64.929   3.174   1.442
  410   2HG2  ILE  49          HG22      ILE  49  66.117   4.477   1.417
  411   3HG2  ILE  49          HG21      ILE  49  64.761   4.498   0.289
  412   1HD1  ILE  49          HD13      ILE  49  68.878   3.694  -0.567
  413   2HD1  ILE  49          HD12      ILE  49  68.474   4.266   1.052
  414   3HD1  ILE  49          HD11      ILE  49  69.556   2.888   0.847
  415    H    LYS  50           HN       LYS  50  65.499   3.426  -2.886
  416    HA   LYS  50           HA       LYS  50  62.852   4.580  -2.815
  417   1HB   LYS  50           HB2      LYS  50  64.941   5.427  -3.985
  418   2HB   LYS  50           HB1      LYS  50  64.711   4.149  -5.179
  419   1HG   LYS  50           HG2      LYS  50  62.399   5.945  -4.554
  420   2HG   LYS  50           HG1      LYS  50  63.696   6.568  -5.576
  421   1HD   LYS  50           HD2      LYS  50  62.879   5.423  -7.330
  422   2HD   LYS  50           HD1      LYS  50  63.077   3.912  -6.441
  423   1HE   LYS  50           HE2      LYS  50  60.836   3.742  -6.174
  424   2HE   LYS  50           HE1      LYS  50  60.778   5.350  -5.424
  425   1HZ   LYS  50           HZ1      LYS  50  61.274   5.259  -8.292
  426   2HZ   LYS  50           HZ3      LYS  50  59.705   4.850  -7.794
  427   3HZ   LYS  50           HZ2      LYS  50  60.357   6.365  -7.384
  428    H    GLU  51           HN       GLU  51  64.291   1.743  -4.370
  429    HA   GLU  51           HA       GLU  51  62.101   0.981  -6.034
  430   1HB   GLU  51           HB2      GLU  51  64.514   0.116  -5.906
  431   2HB   GLU  51           HB1      GLU  51  63.989  -0.846  -4.525
  432   1HG   GLU  51           HG2      GLU  51  63.764  -2.289  -6.406
  433   2HG   GLU  51           HG1      GLU  51  62.128  -1.738  -6.048
  434    H    ALA  52           HN       ALA  52  62.883   0.279  -2.635
  435    HA   ALA  52           HA       ALA  52  60.971  -1.568  -1.857
  436   1HB   ALA  52           HB3      ALA  52  62.710  -0.255  -0.516
  437   2HB   ALA  52           HB2      ALA  52  61.521   1.045  -0.422
  438   3HB   ALA  52           HB1      ALA  52  61.171  -0.524   0.302
  439    H    TYR  53           HN       TYR  53  60.491   1.769  -2.834
  440    HA   TYR  53           HA       TYR  53  57.818   2.160  -1.926
  441   1HB   TYR  53           HB2      TYR  53  59.322   3.222  -4.339
  442   2HB   TYR  53           HB1      TYR  53  57.862   3.942  -3.666
  443    HD1  TYR  53           HD1      TYR  53  59.371   2.669  -0.867
  444    HD2  TYR  53           HD2      TYR  53  59.989   5.767  -3.778
  445    HE1  TYR  53           HE1      TYR  53  60.744   3.916   0.758
  446    HE2  TYR  53           HE2      TYR  53  61.365   7.017  -2.140
  447    HH   TYR  53           HH       TYR  53  62.210   5.632   0.997
  448    H    GLU  54           HN       GLU  54  59.084   0.883  -5.002
  449    HA   GLU  54           HA       GLU  54  56.614   0.512  -6.357
  450   1HB   GLU  54           HB2      GLU  54  58.872  -1.498  -6.422
  451   2HB   GLU  54           HB1      GLU  54  57.855  -0.952  -7.754
  452   1HG   GLU  54           HG2      GLU  54  59.063   1.374  -6.800
  453   2HG   GLU  54           HG1      GLU  54  60.345   0.162  -6.763
  454    H    VAL  55           HN       VAL  55  57.989  -1.031  -3.592
  455    HA   VAL  55           HA       VAL  55  56.171  -3.320  -3.803
  456    HB   VAL  55           HB       VAL  55  58.762  -2.855  -2.846
  457   1HG1  VAL  55          HG13      VAL  55  56.813  -3.342  -0.584
  458   2HG1  VAL  55          HG12      VAL  55  58.494  -3.859  -0.496
  459   3HG1  VAL  55          HG11      VAL  55  58.110  -2.150  -0.670
  460   1HG2  VAL  55          HG21      VAL  55  56.961  -5.019  -3.382
  461   2HG2  VAL  55          HG23      VAL  55  58.724  -5.027  -3.390
  462   3HG2  VAL  55          HG22      VAL  55  57.848  -5.365  -1.898
  463    H    LEU  56           HN       LEU  56  56.965  -0.874  -1.306
  464    HA   LEU  56           HA       LEU  56  54.475  -1.477   0.137
  465   1HB   LEU  56           HB2      LEU  56  55.437   0.014   1.778
  466   2HB   LEU  56           HB1      LEU  56  56.724  -1.022   1.142
  467    HG   LEU  56           HG       LEU  56  56.750   1.051  -0.644
  468   1HD1  LEU  56          HD11      LEU  56  55.109   2.302   0.704
  469   2HD1  LEU  56          HD13      LEU  56  56.173   2.189   2.107
  470   3HD1  LEU  56          HD12      LEU  56  56.672   3.123   0.694
  471   1HD2  LEU  56          HD22      LEU  56  58.280   0.414   1.860
  472   2HD2  LEU  56          HD21      LEU  56  58.797   0.290   0.182
  473   3HD2  LEU  56          HD23      LEU  56  58.681   1.870   0.949
  474    H    THR  57           HN       THR  57  55.539   1.057  -2.117
  475    HA   THR  57           HA       THR  57  53.291   2.797  -1.288
  476    HB   THR  57           HB       THR  57  54.257   4.377  -2.828
  477    HG1  THR  57           HG1      THR  57  56.092   3.562  -4.126
  478   1HG2  THR  57          HG21      THR  57  56.228   2.747  -1.251
  479   2HG2  THR  57          HG23      THR  57  56.772   4.134  -2.192
  480   3HG2  THR  57          HG22      THR  57  55.591   4.351  -0.903
  481    H    ASP  58           HN       ASP  58  52.652   0.162  -2.301
  482    HA   ASP  58           HA       ASP  58  50.783   0.929  -4.449
  483   1HB   ASP  58           HB2      ASP  58  53.275  -0.434  -4.874
  484   2HB   ASP  58           HB1      ASP  58  51.964  -1.579  -5.165
  485    H    SER  59           HN       SER  59  48.905   0.223  -3.765
  486    HA   SER  59           HA       SER  59  48.328  -1.243  -1.567
  487   1HB   SER  59           HB2      SER  59  46.729  -0.082  -3.058
  488   2HB   SER  59           HB1      SER  59  46.895  -1.388  -4.228
  489    HG   SER  59           HG       SER  59  45.149  -1.923  -3.026
  490    H    GLN  60           HN       GLN  60  49.584  -2.558  -4.546
  491    HA   GLN  60           HA       GLN  60  48.773  -5.303  -4.093
  492   1HB   GLN  60           HB2      GLN  60  50.222  -3.673  -6.007
  493   2HB   GLN  60           HB1      GLN  60  51.037  -5.216  -5.749
  494   1HG   GLN  60           HG2      GLN  60  48.844  -6.372  -6.118
  495   2HG   GLN  60           HG1      GLN  60  48.136  -4.809  -6.528
  496   1HE2  GLN  60          HE22      GLN  60  50.432  -4.568  -9.452
  497   2HE2  GLN  60          HE21      GLN  60  50.161  -3.642  -8.055
  498    H    LYS  61           HN       LYS  61  52.132  -4.096  -4.233
  499    HA   LYS  61           HA       LYS  61  53.027  -6.299  -2.532
  500   1HB   LYS  61           HB2      LYS  61  55.094  -4.368  -2.788
  501   2HB   LYS  61           HB1      LYS  61  54.956  -5.909  -3.608
  502   1HG   LYS  61           HG2      LYS  61  53.680  -3.342  -4.605
  503   2HG   LYS  61           HG1      LYS  61  55.226  -3.965  -5.164
  504   1HD   LYS  61           HD2      LYS  61  54.269  -5.833  -6.199
  505   2HD   LYS  61           HD1      LYS  61  52.788  -5.729  -5.252
  506   1HE   LYS  61           HE2      LYS  61  52.273  -4.929  -7.482
  507   2HE   LYS  61           HE1      LYS  61  52.337  -3.503  -6.428
  508   1HZ   LYS  61           HZ3      LYS  61  54.823  -4.467  -7.651
  509   2HZ   LYS  61           HZ2      LYS  61  53.742  -3.586  -8.621
  510   3HZ   LYS  61           HZ1      LYS  61  54.384  -2.891  -7.210
  511    H    ARG  62           HN       ARG  62  51.819  -3.195  -1.816
  512    HA   ARG  62           HA       ARG  62  53.408  -2.940   0.637
  513   1HB   ARG  62           HB2      ARG  62  52.286  -0.867   0.851
  514   2HB   ARG  62           HB1      ARG  62  52.356  -1.099  -0.896
  515   1HG   ARG  62           HG2      ARG  62  50.071  -2.007  -0.884
  516   2HG   ARG  62           HG1      ARG  62  50.000  -1.828   0.868
  517   1HD   ARG  62           HD2      ARG  62  50.788   0.703  -0.035
  518   2HD   ARG  62           HD1      ARG  62  49.538   0.186  -1.185
  519    HE   ARG  62           HE       ARG  62  48.447  -0.562   1.212
  520   1HH1  ARG  62          HH21      ARG  62  48.171   2.110  -0.568
  521   2HH1  ARG  62          HH22      ARG  62  48.008   3.248   0.727
  522   1HH2  ARG  62          HH11      ARG  62  48.988   1.002   3.179
  523   2HH2  ARG  62          HH12      ARG  62  48.469   2.621   2.849
  524    H    ALA  63           HN       ALA  63  50.281  -4.120  -0.369
  525    HA   ALA  63           HA       ALA  63  49.385  -4.603   2.414
  526   1HB   ALA  63           HB2      ALA  63  48.062  -3.846   0.231
  527   2HB   ALA  63           HB1      ALA  63  47.981  -5.586  -0.049
  528   3HB   ALA  63           HB3      ALA  63  47.295  -4.897   1.423
  529    H    ALA  64           HN       ALA  64  50.987  -6.208  -0.186
  530    HA   ALA  64           HA       ALA  64  50.338  -8.931   0.773
  531   1HB   ALA  64           HB2      ALA  64  51.755  -7.626  -1.516
  532   2HB   ALA  64           HB1      ALA  64  52.175  -9.297  -1.134
  533   3HB   ALA  64           HB3      ALA  64  50.511  -8.877  -1.538
  534    H    TYR  65           HN       TYR  65  53.114  -6.718   0.672
  535    HA   TYR  65           HA       TYR  65  54.984  -8.601   1.823
  536   1HB   TYR  65           HB2      TYR  65  54.841  -5.635   1.297
  537   2HB   TYR  65           HB1      TYR  65  56.231  -6.336   2.140
  538    HD1  TYR  65           HD1      TYR  65  54.095  -7.040  -0.874
  539    HD2  TYR  65           HD2      TYR  65  58.034  -7.044   0.840
  540    HE1  TYR  65           HE1      TYR  65  55.032  -7.802  -3.036
  541    HE2  TYR  65           HE2      TYR  65  58.969  -7.808  -1.327
  542    HH   TYR  65           HH       TYR  65  57.971  -7.520  -3.968
  543    H    ASP  66           HN       ASP  66  52.669  -6.298   3.154
  544    HA   ASP  66           HA       ASP  66  53.682  -5.874   5.739
  545   1HB   ASP  66           HB2      ASP  66  51.536  -5.119   6.144
  546   2HB   ASP  66           HB1      ASP  66  51.416  -5.275   4.394
  547    H    GLN  67           HN       GLN  67  52.087  -8.731   4.389
  548    HA   GLN  67           HA       GLN  67  52.694 -10.218   6.927
  549   1HB   GLN  67           HB2      GLN  67  50.801 -11.726   5.926
  550   2HB   GLN  67           HB1      GLN  67  50.347 -10.190   6.665
  551   1HG   GLN  67           HG2      GLN  67  50.251  -9.113   4.486
  552   2HG   GLN  67           HG1      GLN  67  50.850 -10.574   3.702
  553   1HE2  GLN  67          HE22      GLN  67  47.724 -12.305   3.955
  554   2HE2  GLN  67          HE21      GLN  67  49.401 -12.529   3.815
  555    H    TYR  68           HN       TYR  68  54.118  -9.709   4.150
  556    HA   TYR  68           HA       TYR  68  55.423 -10.973   2.636
  557   1HB   TYR  68           HB2      TYR  68  55.575 -12.079   5.364
  558   2HB   TYR  68           HB1      TYR  68  56.093 -13.204   4.102
  559    HD1  TYR  68           HD1      TYR  68  56.599  -9.753   5.422
  560    HD2  TYR  68           HD2      TYR  68  58.165 -12.923   2.981
  561    HE1  TYR  68           HE1      TYR  68  58.738  -8.522   5.197
  562    HE2  TYR  68           HE2      TYR  68  60.306 -11.691   2.758
  563    HH   TYR  68           HH       TYR  68  61.559  -9.923   4.119
  564    H    GLY  69           HN       GLY  69  52.436 -11.550   2.801
  565   1HA   GLY  69           HA2      GLY  69  51.216 -12.964   1.276
  566   2HA   GLY  69           HA1      GLY  69  52.561 -14.107   1.305
  567    H    HIS  70           HN       HIS  70  49.520 -14.199   2.026
  568    HA   HIS  70           HA       HIS  70  48.984 -14.669   4.692
  569   1HB   HIS  70           HB2      HIS  70  47.382 -16.362   3.836
  570   2HB   HIS  70           HB1      HIS  70  47.421 -14.940   2.789
  571    HD1  HIS  70           HD1      HIS  70  48.846 -15.172   0.540
  572    HD2  HIS  70           HD2      HIS  70  48.186 -18.741   2.593
  573    HE1  HIS  70           HE1      HIS  70  49.389 -17.042  -1.080
  574    H    ALA  71           HN       ALA  71  51.088 -16.544   2.612
  575    HA   ALA  71           HA       ALA  71  51.280 -19.017   3.911
  576   1HB   ALA  71           HB1      ALA  71  52.976 -17.235   2.267
  577   2HB   ALA  71           HB3      ALA  71  53.865 -18.435   3.208
  578   3HB   ALA  71           HB2      ALA  71  52.627 -18.952   2.064
  579    H    ALA  72           HN       ALA  72  52.571 -15.876   4.875
  580    HA   ALA  72           HA       ALA  72  54.336 -16.808   6.950
  581   1HB   ALA  72           HB3      ALA  72  52.882 -14.238   6.303
  582   2HB   ALA  72           HB2      ALA  72  53.922 -14.369   7.722
  583   3HB   ALA  72           HB1      ALA  72  54.597 -14.599   6.108
  584    H    PHE  73           HN       PHE  73  50.961 -16.925   6.692
  585    HA   PHE  73           HA       PHE  73  50.557 -16.753   9.652
  586   1HB   PHE  73           HB2      PHE  73  49.089 -16.062   7.259
  587   2HB   PHE  73           HB1      PHE  73  48.127 -17.147   8.269
  588    HD1  PHE  73           HD1      PHE  73  47.510 -16.519  10.566
  589    HD2  PHE  73           HD2      PHE  73  49.737 -13.854   8.038
  590    HE1  PHE  73           HE1      PHE  73  47.024 -14.645  12.115
  591    HE2  PHE  73           HE2      PHE  73  49.251 -11.980   9.586
  592    HZ   PHE  73           HZ       PHE  73  47.893 -12.375  11.624
  593    H    GLU  74           HN       GLU  74  51.000 -19.027   7.157
  594    HA   GLU  74           HA       GLU  74  50.098 -21.216   8.966
  595   1HB   GLU  74           HB2      GLU  74  49.362 -21.041   6.031
  596   2HB   GLU  74           HB1      GLU  74  48.753 -22.193   7.220
  597   1HG   GLU  74           HG2      GLU  74  47.944 -20.066   8.502
  598   2HG   GLU  74           HG1      GLU  74  48.124 -19.265   6.939
  599    H    GLN  75           HN       GLN  75  51.613 -20.421   5.824
  600    HA   GLN  75           HA       GLN  75  53.318 -22.848   6.016
  601   1HB   GLN  75           HB2      GLN  75  53.133 -20.713   3.867
  602   2HB   GLN  75           HB1      GLN  75  53.812 -22.333   3.698
  603   1HG   GLN  75           HG2      GLN  75  51.199 -22.696   4.702
  604   2HG   GLN  75           HG1      GLN  75  51.064 -21.488   3.423
  605   1HE2  GLN  75          HE22      GLN  75  50.850 -24.516   1.455
  606   2HE2  GLN  75          HE21      GLN  75  49.885 -23.433   2.335
  607    H    GLY  76           HN       GLY  76  55.639 -22.042   4.840
  608   1HA   GLY  76           HA2      GLY  76  56.873 -19.646   5.435
  609   2HA   GLY  76           HA1      GLY  76  56.934 -20.524   6.965
  610    H    GLY  77           HN       GLY  77  57.331 -21.533   3.555
  611   1HA   GLY  77           HA2      GLY  77  59.550 -22.115   2.657
  612   2HA   GLY  77           HA1      GLY  77  60.038 -22.556   4.294
   
  No H/Q in entry =         612
  Start of MODEL   16
    1   1H    ALA   1           HT2      ALA   1  71.589 -11.990   5.078
    2   2H    ALA   1           HT1      ALA   1  73.108 -11.947   5.838
    3   3H    ALA   1           HT3      ALA   1  71.872 -12.922   6.470
    4    HA   ALA   1           HA       ALA   1  71.703 -11.145   7.890
    5   1HB   ALA   1           HB2      ALA   1  72.603  -9.588   5.448
    6   2HB   ALA   1           HB1      ALA   1  72.215  -8.831   6.992
    7   3HB   ALA   1           HB3      ALA   1  73.561  -9.966   6.881
    8    H    LYS   2           HN       LYS   2  69.944  -9.526   8.201
    9    HA   LYS   2           HA       LYS   2  67.536 -10.258   6.739
   10   1HB   LYS   2           HB2      LYS   2  68.364  -8.849   9.140
   11   2HB   LYS   2           HB1      LYS   2  67.091  -7.961   8.303
   12   1HG   LYS   2           HG2      LYS   2  65.525  -9.562   8.718
   13   2HG   LYS   2           HG1      LYS   2  66.667 -10.882   8.466
   14   1HD   LYS   2           HD2      LYS   2  67.710  -9.960  10.727
   15   2HD   LYS   2           HD1      LYS   2  66.075  -9.341  10.961
   16   1HE   LYS   2           HE2      LYS   2  66.597 -12.228  10.202
   17   2HE   LYS   2           HE1      LYS   2  66.500 -11.690  11.891
   18   1HZ   LYS   2           HZ2      LYS   2  64.384 -10.487  11.080
   19   2HZ   LYS   2           HZ1      LYS   2  64.424 -11.603   9.800
   20   3HZ   LYS   2           HZ3      LYS   2  64.303 -12.154  11.400
   21    H    GLN   3           HN       GLN   3  67.140  -9.431   4.722
   22    HA   GLN   3           HA       GLN   3  67.754  -6.532   4.247
   23   1HB   GLN   3           HB2      GLN   3  69.157  -8.547   3.171
   24   2HB   GLN   3           HB1      GLN   3  67.822  -8.526   2.019
   25   1HG   GLN   3           HG2      GLN   3  68.243  -5.942   1.970
   26   2HG   GLN   3           HG1      GLN   3  69.823  -6.365   2.630
   27   1HE2  GLN   3          HE22      GLN   3  70.542  -8.424  -0.385
   28   2HE2  GLN   3          HE21      GLN   3  70.484  -8.697   1.289
   29    H    ASP   4           HN       ASP   4  65.602  -5.792   4.470
   30    HA   ASP   4           HA       ASP   4  63.704  -6.740   2.378
   31   1HB   ASP   4           HB2      ASP   4  62.473  -7.825   3.927
   32   2HB   ASP   4           HB1      ASP   4  63.644  -7.379   5.163
   33    H    TYR   5           HN       TYR   5  62.685  -5.182   1.426
   34    HA   TYR   5           HA       TYR   5  63.301  -2.513   1.510
   35   1HB   TYR   5           HB2      TYR   5  60.493  -2.667   1.022
   36   2HB   TYR   5           HB1      TYR   5  61.814  -2.469  -0.117
   37    HD1  TYR   5           HD2      TYR   5  62.809  -4.313  -1.280
   38    HD2  TYR   5           HD1      TYR   5  59.572  -4.887   1.472
   39    HE1  TYR   5           HE2      TYR   5  62.470  -6.606  -2.171
   40    HE2  TYR   5           HE1      TYR   5  59.228  -7.182   0.585
   41    HH   TYR   5           HH       TYR   5  61.296  -8.893  -0.940
   42    H    TYR   6           HN       TYR   6  60.401  -3.771   3.255
   43    HA   TYR   6           HA       TYR   6  59.820  -1.405   4.655
   44   1HB   TYR   6           HB2      TYR   6  59.593  -4.329   5.338
   45   2HB   TYR   6           HB1      TYR   6  59.013  -3.077   6.444
   46    HD1  TYR   6           HD1      TYR   6  57.284  -1.471   5.740
   47    HD2  TYR   6           HD2      TYR   6  58.442  -4.769   3.247
   48    HE1  TYR   6           HE1      TYR   6  55.237  -1.154   4.377
   49    HE2  TYR   6           HE2      TYR   6  56.392  -4.448   1.881
   50    HH   TYR   6           HH       TYR   6  54.739  -2.930   1.409
   51    H    GLU   7           HN       GLU   7  62.445  -3.658   4.984
   52    HA   GLU   7           HA       GLU   7  63.436  -2.436   7.507
   53   1HB   GLU   7           HB2      GLU   7  63.607  -4.927   6.238
   54   2HB   GLU   7           HB1      GLU   7  65.206  -4.226   6.003
   55   1HG   GLU   7           HG2      GLU   7  64.492  -3.640   8.670
   56   2HG   GLU   7           HG1      GLU   7  64.050  -5.328   8.410
   57    H    ILE   8           HN       ILE   8  64.003  -2.491   4.026
   58    HA   ILE   8           HA       ILE   8  66.493  -1.247   3.789
   59    HB   ILE   8           HB       ILE   8  63.960  -1.031   2.168
   60   1HG1  ILE   8          HG12      ILE   8  65.117  -3.288   2.487
   61   2HG1  ILE   8          HG11      ILE   8  64.984  -2.761   0.809
   62   1HG2  ILE   8          HG22      ILE   8  66.689   0.122   1.769
   63   2HG2  ILE   8          HG21      ILE   8  65.823  -0.493   0.360
   64   3HG2  ILE   8          HG23      ILE   8  65.114   0.790   1.341
   65   1HD1  ILE   8          HD13      ILE   8  67.413  -1.749   2.038
   66   2HD1  ILE   8          HD12      ILE   8  67.327  -3.507   2.136
   67   3HD1  ILE   8          HD11      ILE   8  67.217  -2.705   0.570
   68    H    LEU   9           HN       LEU   9  63.283   0.199   4.087
   69    HA   LEU   9           HA       LEU   9  64.340   2.961   4.312
   70   1HB   LEU   9           HB2      LEU   9  61.551   1.802   4.596
   71   2HB   LEU   9           HB1      LEU   9  61.962   3.482   4.240
   72    HG   LEU   9           HG       LEU   9  62.785   1.159   2.499
   73   1HD1  LEU   9          HD12      LEU   9  60.237   1.532   2.806
   74   2HD1  LEU   9          HD11      LEU   9  60.498   3.017   1.892
   75   3HD1  LEU   9          HD13      LEU   9  60.872   1.457   1.161
   76   1HD2  LEU   9          HD23      LEU   9  62.811   4.166   2.280
   77   2HD2  LEU   9          HD22      LEU   9  64.127   3.029   1.986
   78   3HD2  LEU   9          HD21      LEU   9  62.804   3.166   0.828
   79    H    GLY  10           HN       GLY  10  64.597   0.543   6.357
   80   1HA   GLY  10           HA2      GLY  10  64.580   0.265   8.682
   81   2HA   GLY  10           HA1      GLY  10  64.820   2.010   8.735
   82    H    VAL  11           HN       VAL  11  61.991   0.196   7.517
   83    HA   VAL  11           HA       VAL  11  60.379   1.613   9.633
   84    HB   VAL  11           HB       VAL  11  58.881   0.710   7.312
   85   1HG1  VAL  11          HG13      VAL  11  59.359   3.304   8.752
   86   2HG1  VAL  11          HG12      VAL  11  58.338   3.207   7.318
   87   3HG1  VAL  11          HG11      VAL  11  57.918   2.289   8.764
   88   1HG2  VAL  11          HG23      VAL  11  61.179   1.226   6.290
   89   2HG2  VAL  11          HG22      VAL  11  59.785   2.049   5.611
   90   3HG2  VAL  11          HG21      VAL  11  60.854   2.904   6.722
   91    H    SER  12           HN       SER  12  58.055   0.453   9.535
   92    HA   SER  12           HA       SER  12  58.511  -2.313  10.415
   93   1HB   SER  12           HB2      SER  12  55.785  -1.228  10.317
   94   2HB   SER  12           HB1      SER  12  56.665  -1.901  11.686
   95    HG   SER  12           HG       SER  12  56.144   0.469  11.640
   96    H    LYS  13           HN       LYS  13  57.697  -4.127   9.314
   97    HA   LYS  13           HA       LYS  13  57.472  -4.135   6.550
   98   1HB   LYS  13           HB2      LYS  13  56.104  -6.224   6.943
   99   2HB   LYS  13           HB1      LYS  13  57.649  -6.155   7.791
  100   1HG   LYS  13           HG2      LYS  13  55.757  -4.894   9.481
  101   2HG   LYS  13           HG1      LYS  13  54.998  -6.380   8.908
  102   1HD   LYS  13           HD2      LYS  13  56.898  -7.702   9.650
  103   2HD   LYS  13           HD1      LYS  13  57.785  -6.243  10.090
  104   1HE   LYS  13           HE2      LYS  13  55.107  -6.462  11.335
  105   2HE   LYS  13           HE1      LYS  13  56.285  -7.678  11.869
  106   1HZ   LYS  13           HZ1      LYS  13  57.898  -5.710  11.952
  107   2HZ   LYS  13           HZ3      LYS  13  56.512  -4.733  11.952
  108   3HZ   LYS  13           HZ2      LYS  13  56.759  -5.851  13.207
  109    H    THR  14           HN       THR  14  55.182  -2.997   8.875
  110    HA   THR  14           HA       THR  14  53.107  -2.688   6.750
  111    HB   THR  14           HB       THR  14  51.537  -2.883   8.503
  112    HG1  THR  14           HG1      THR  14  52.709  -2.819  10.753
  113   1HG2  THR  14          HG22      THR  14  53.234  -4.887   8.143
  114   2HG2  THR  14          HG21      THR  14  53.719  -4.489   9.791
  115   3HG2  THR  14          HG23      THR  14  52.050  -4.948   9.448
  116    H    ALA  15           HN       ALA  15  55.579  -0.954   7.527
  117    HA   ALA  15           HA       ALA  15  54.999   1.455   8.765
  118   1HB   ALA  15           HB1      ALA  15  56.578   0.770   6.285
  119   2HB   ALA  15           HB3      ALA  15  56.739   2.283   7.167
  120   3HB   ALA  15           HB2      ALA  15  57.156   0.766   7.950
  121    H    GLU  16           HN       GLU  16  55.508   3.224   6.461
  122    HA   GLU  16           HA       GLU  16  53.069   3.202   4.835
  123   1HB   GLU  16           HB2      GLU  16  53.330   4.612   7.336
  124   2HB   GLU  16           HB1      GLU  16  53.184   5.783   6.020
  125   1HG   GLU  16           HG2      GLU  16  51.292   3.982   5.273
  126   2HG   GLU  16           HG1      GLU  16  51.209   3.814   7.026
  127    H    GLU  17           HN       GLU  17  53.295   5.980   4.159
  128    HA   GLU  17           HA       GLU  17  55.656   5.841   2.395
  129   1HB   GLU  17           HB2      GLU  17  54.531   7.674   1.233
  130   2HB   GLU  17           HB1      GLU  17  53.379   6.387   1.581
  131   1HG   GLU  17           HG2      GLU  17  52.646   7.634   3.611
  132   2HG   GLU  17           HG1      GLU  17  53.742   8.943   3.170
  133    H    ARG  18           HN       ARG  18  54.365   8.206   4.783
  134    HA   ARG  18           HA       ARG  18  56.397  10.157   4.500
  135   1HB   ARG  18           HB2      ARG  18  55.662  10.708   6.895
  136   2HB   ARG  18           HB1      ARG  18  54.381  10.630   5.685
  137   1HG   ARG  18           HG2      ARG  18  53.425   8.809   6.645
  138   2HG   ARG  18           HG1      ARG  18  54.985   8.041   6.947
  139   1HD   ARG  18           HD2      ARG  18  55.292   9.186   8.993
  140   2HD   ARG  18           HD1      ARG  18  54.087  10.422   8.581
  141    HE   ARG  18           HE       ARG  18  53.336   7.559   9.049
  142   1HH1  ARG  18          HH21      ARG  18  51.066   8.937   8.050
  143   2HH1  ARG  18          HH22      ARG  18  50.341   9.682   9.436
  144   1HH2  ARG  18          HH11      ARG  18  53.180   9.394  11.405
  145   2HH2  ARG  18          HH12      ARG  18  51.538   9.941  11.335
  146    H    GLU  19           HN       GLU  19  56.638   7.052   5.959
  147    HA   GLU  19           HA       GLU  19  59.116   7.797   7.430
  148   1HB   GLU  19           HB2      GLU  19  58.619   5.038   7.719
  149   2HB   GLU  19           HB1      GLU  19  58.264   6.286   8.906
  150   1HG   GLU  19           HG2      GLU  19  56.037   6.606   7.661
  151   2HG   GLU  19           HG1      GLU  19  56.408   5.088   6.844
  152    H    ILE  20           HN       ILE  20  57.874   6.391   4.590
  153    HA   ILE  20           HA       ILE  20  60.230   4.821   3.840
  154    HB   ILE  20           HB       ILE  20  57.558   5.655   2.761
  155   1HG1  ILE  20          HG12      ILE  20  57.097   3.391   2.789
  156   2HG1  ILE  20          HG11      ILE  20  58.779   2.925   2.594
  157   1HG2  ILE  20          HG23      ILE  20  59.819   4.537   1.087
  158   2HG2  ILE  20          HG22      ILE  20  58.127   4.537   0.589
  159   3HG2  ILE  20          HG21      ILE  20  58.969   6.062   0.849
  160   1HD1  ILE  20          HD11      ILE  20  57.606   4.182   5.096
  161   2HD1  ILE  20          HD13      ILE  20  57.945   2.462   4.893
  162   3HD1  ILE  20          HD12      ILE  20  59.266   3.632   4.890
  163    H    ARG  21           HN       ARG  21  58.570   7.663   2.455
  164    HA   ARG  21           HA       ARG  21  60.679   8.548   0.782
  165   1HB   ARG  21           HB2      ARG  21  59.479  10.748   1.015
  166   2HB   ARG  21           HB1      ARG  21  58.356   9.413   0.760
  167   1HG   ARG  21           HG2      ARG  21  57.337  10.428   2.563
  168   2HG   ARG  21           HG1      ARG  21  58.415   9.328   3.421
  169   1HD   ARG  21           HD2      ARG  21  59.294  11.149   4.453
  170   2HD   ARG  21           HD1      ARG  21  59.959  11.636   2.881
  171    HE   ARG  21           HE       ARG  21  57.280  12.386   2.767
  172   1HH1  ARG  21          HH21      ARG  21  59.960  12.966   4.867
  173   2HH1  ARG  21          HH22      ARG  21  59.434  14.555   5.310
  174   1HH2  ARG  21          HH11      ARG  21  56.597  14.460   3.320
  175   2HH2  ARG  21          HH12      ARG  21  57.529  15.400   4.436
  176    H    LYS  22           HN       LYS  22  60.045   8.856   4.189
  177    HA   LYS  22           HA       LYS  22  62.129  10.773   4.821
  178   1HB   LYS  22           HB2      LYS  22  60.226  10.605   6.253
  179   2HB   LYS  22           HB1      LYS  22  60.324   8.844   6.300
  180   1HG   LYS  22           HG2      LYS  22  61.169  10.075   8.387
  181   2HG   LYS  22           HG1      LYS  22  62.262   8.882   7.687
  182   1HD   LYS  22           HD2      LYS  22  63.558  10.867   8.165
  183   2HD   LYS  22           HD1      LYS  22  63.374  10.761   6.417
  184   1HE   LYS  22           HE2      LYS  22  62.617  12.907   6.547
  185   2HE   LYS  22           HE1      LYS  22  61.122  12.197   7.188
  186   1HZ   LYS  22           HZ3      LYS  22  63.494  12.835   8.855
  187   2HZ   LYS  22           HZ2      LYS  22  62.160  13.873   8.684
  188   3HZ   LYS  22           HZ1      LYS  22  61.964  12.344   9.396
  189    H    ALA  23           HN       ALA  23  61.760   7.264   5.359
  190    HA   ALA  23           HA       ALA  23  64.137   6.603   6.604
  191   1HB   ALA  23           HB2      ALA  23  62.627   5.222   4.369
  192   2HB   ALA  23           HB1      ALA  23  63.863   4.436   5.352
  193   3HB   ALA  23           HB3      ALA  23  62.379   5.015   6.104
  194    H    TYR  24           HN       TYR  24  63.635   6.960   3.101
  195    HA   TYR  24           HA       TYR  24  66.419   6.478   2.438
  196   1HB   TYR  24           HB2      TYR  24  64.338   6.109   1.026
  197   2HB   TYR  24           HB1      TYR  24  64.229   7.855   0.847
  198    HD1  TYR  24           HD1      TYR  24  67.369   5.851   0.996
  199    HD2  TYR  24           HD2      TYR  24  64.684   8.124  -1.472
  200    HE1  TYR  24           HE1      TYR  24  69.024   5.803  -0.847
  201    HE2  TYR  24           HE2      TYR  24  66.341   8.073  -3.316
  202    HH   TYR  24           HH       TYR  24  68.382   6.318  -3.907
  203    H    LYS  25           HN       LYS  25  64.304   9.302   2.691
  204    HA   LYS  25           HA       LYS  25  65.998  11.400   1.982
  205   1HB   LYS  25           HB2      LYS  25  63.611  10.857   3.461
  206   2HB   LYS  25           HB1      LYS  25  64.557  12.029   4.364
  207   1HG   LYS  25           HG2      LYS  25  63.973  13.658   2.920
  208   2HG   LYS  25           HG1      LYS  25  64.641  12.724   1.579
  209   1HD   LYS  25           HD2      LYS  25  62.589  11.616   1.175
  210   2HD   LYS  25           HD1      LYS  25  61.930  12.088   2.742
  211   1HE   LYS  25           HE2      LYS  25  61.383  14.217   2.021
  212   2HE   LYS  25           HE1      LYS  25  62.727  14.280   0.862
  213   1HZ   LYS  25           HZ3      LYS  25  60.564  12.305   0.530
  214   2HZ   LYS  25           HZ2      LYS  25  60.353  13.893  -0.032
  215   3HZ   LYS  25           HZ1      LYS  25  61.619  12.936  -0.638
  216    H    ARG  26           HN       ARG  26  65.875   9.569   5.023
  217    HA   ARG  26           HA       ARG  26  67.758  11.240   6.447
  218   1HB   ARG  26           HB2      ARG  26  66.678   8.435   6.814
  219   2HB   ARG  26           HB1      ARG  26  67.695   9.243   8.007
  220   1HG   ARG  26           HG2      ARG  26  65.524  10.969   7.131
  221   2HG   ARG  26           HG1      ARG  26  64.912   9.450   7.788
  222   1HD   ARG  26           HD2      ARG  26  67.075  10.951   9.258
  223   2HD   ARG  26           HD1      ARG  26  65.372  11.409   9.456
  224    HE   ARG  26           HE       ARG  26  66.163   8.550   9.785
  225   1HH1  ARG  26          HH11      ARG  26  63.497  10.214  10.307
  226   2HH1  ARG  26          HH12      ARG  26  63.447  10.095  12.034
  227   1HH2  ARG  26          HH21      ARG  26  66.706   8.941  12.312
  228   2HH2  ARG  26          HH22      ARG  26  65.263   9.370  13.170
  229    H    LEU  27           HN       LEU  27  68.061   7.984   4.973
  230    HA   LEU  27           HA       LEU  27  70.942   7.882   5.433
  231   1HB   LEU  27           HB2      LEU  27  70.719   5.699   4.518
  232   2HB   LEU  27           HB1      LEU  27  69.191   5.990   5.347
  233    HG   LEU  27           HG       LEU  27  68.380   6.881   3.043
  234   1HD1  LEU  27          HD13      LEU  27  71.057   5.982   2.435
  235   2HD1  LEU  27          HD12      LEU  27  69.885   5.035   1.518
  236   3HD1  LEU  27          HD11      LEU  27  69.900   6.793   1.380
  237   1HD2  LEU  27          HD23      LEU  27  67.826   4.676   4.299
  238   2HD2  LEU  27          HD22      LEU  27  67.479   4.753   2.571
  239   3HD2  LEU  27          HD21      LEU  27  68.923   3.919   3.144
  240    H    ALA  28           HN       ALA  28  68.775   8.604   2.768
  241    HA   ALA  28           HA       ALA  28  70.739   8.610   0.684
  242   1HB   ALA  28           HB3      ALA  28  68.192   8.458   0.599
  243   2HB   ALA  28           HB2      ALA  28  68.171  10.198   0.883
  244   3HB   ALA  28           HB1      ALA  28  68.923   9.550  -0.576
  245    H    MET  29           HN       MET  29  69.415  11.166   2.798
  246    HA   MET  29           HA       MET  29  71.024  13.260   1.572
  247   1HB   MET  29           HB2      MET  29  70.218  14.578   3.452
  248   2HB   MET  29           HB1      MET  29  68.893  13.542   2.925
  249   1HG   MET  29           HG2      MET  29  69.606  11.882   4.688
  250   2HG   MET  29           HG1      MET  29  70.736  13.096   5.286
  251   1HE   MET  29           HE1      MET  29  70.460  14.480   6.794
  252   2HE   MET  29           HE3      MET  29  69.581  15.818   6.040
  253   3HE   MET  29           HE2      MET  29  69.016  15.136   7.563
  254    H    LYS  30           HN       LYS  30  71.501  10.757   3.908
  255    HA   LYS  30           HA       LYS  30  73.977  11.920   5.025
  256   1HB   LYS  30           HB2      LYS  30  72.053   9.777   5.574
  257   2HB   LYS  30           HB1      LYS  30  73.723   9.260   5.811
  258   1HG   LYS  30           HG2      LYS  30  74.040  10.654   7.593
  259   2HG   LYS  30           HG1      LYS  30  73.047  11.933   6.897
  260   1HD   LYS  30           HD2      LYS  30  71.256  11.272   8.087
  261   2HD   LYS  30           HD1      LYS  30  71.418   9.619   7.493
  262   1HE   LYS  30           HE2      LYS  30  73.443  10.413   9.510
  263   2HE   LYS  30           HE1      LYS  30  71.778  10.302  10.112
  264   1HZ   LYS  30           HZ3      LYS  30  71.856   8.164   8.551
  265   2HZ   LYS  30           HZ2      LYS  30  73.492   8.219   9.007
  266   3HZ   LYS  30           HZ1      LYS  30  72.279   8.110  10.191
  267    H    TYR  31           HN       TYR  31  72.977   9.804   2.447
  268    HA   TYR  31           HA       TYR  31  75.810   8.910   2.065
  269   1HB   TYR  31           HB2      TYR  31  73.112   7.718   1.625
  270   2HB   TYR  31           HB1      TYR  31  74.391   7.268   0.492
  271    HD1  TYR  31           HD2      TYR  31  76.791   7.315   2.178
  272    HD2  TYR  31           HD1      TYR  31  72.845   5.870   3.060
  273    HE1  TYR  31           HE2      TYR  31  77.736   5.779   3.874
  274    HE2  TYR  31           HE1      TYR  31  73.788   4.334   4.758
  275    HH   TYR  31           HH       TYR  31  76.212   3.197   5.065
  276    H    HIS  32           HN       HIS  32  73.873  11.239   1.079
  277    HA   HIS  32           HA       HIS  32  73.792  11.258  -1.744
  278   1HB   HIS  32           HB2      HIS  32  73.378  13.626  -1.274
  279   2HB   HIS  32           HB1      HIS  32  72.638  12.641  -0.031
  280    HD1  HIS  32           HD1      HIS  32  73.816  15.638   0.330
  281    HD2  HIS  32           HD2      HIS  32  75.537  12.080   1.651
  282    HE1  HIS  32           HE1      HIS  32  75.364  16.261   2.235
  283    HA   PRO  33           HA       PRO  33  77.779  12.504  -3.100
  284   1HB   PRO  33           HB2      PRO  33  78.297  15.199  -3.116
  285   2HB   PRO  33           HB1      PRO  33  77.287  14.379  -4.324
  286   1HG   PRO  33           HG2      PRO  33  76.478  15.953  -1.939
  287   2HG   PRO  33           HG1      PRO  33  75.750  15.888  -3.549
  288   1HD   PRO  33           HD2      PRO  33  74.753  14.633  -1.403
  289   2HD   PRO  33           HD1      PRO  33  74.521  14.038  -3.059
  290    H    ASP  34           HN       ASP  34  77.773  11.715  -0.531
  291    HA   ASP  34           HA       ASP  34  79.828  13.381   0.870
  292   1HB   ASP  34           HB2      ASP  34  78.477  13.002   2.670
  293   2HB   ASP  34           HB1      ASP  34  77.388  12.071   1.650
  294    H    ARG  35           HN       ARG  35  78.884  10.155  -0.206
  295    HA   ARG  35           HA       ARG  35  81.752   9.338  -0.255
  296   1HB   ARG  35           HB2      ARG  35  80.995   7.148   0.693
  297   2HB   ARG  35           HB1      ARG  35  80.710   8.491   1.802
  298   1HG   ARG  35           HG2      ARG  35  78.666   7.307   1.833
  299   2HG   ARG  35           HG1      ARG  35  78.364   8.626   0.702
  300   1HD   ARG  35           HD2      ARG  35  77.909   7.135  -0.924
  301   2HD   ARG  35           HD1      ARG  35  79.529   6.432  -0.741
  302    HE   ARG  35           HE       ARG  35  77.115   5.575   0.803
  303   1HH1  ARG  35          HH21      ARG  35  78.473   4.429   2.641
  304   2HH1  ARG  35          HH22      ARG  35  79.457   3.156   2.001
  305   1HH2  ARG  35          HH11      ARG  35  79.196   4.242  -1.280
  306   2HH2  ARG  35          HH12      ARG  35  79.861   3.047  -0.219
  307    H    ASN  36           HN       ASN  36  78.437   9.019  -1.490
  308    HA   ASN  36           HA       ASN  36  78.650   6.890  -3.286
  309   1HB   ASN  36           HB2      ASN  36  77.078   9.282  -2.872
  310   2HB   ASN  36           HB1      ASN  36  77.291   8.989  -4.595
  311   1HD2  ASN  36          HD22      ASN  36  74.772   6.638  -2.516
  312   2HD2  ASN  36          HD21      ASN  36  75.475   8.033  -1.853
  313    H    GLN  37           HN       GLN  37  80.110  10.073  -3.462
  314    HA   GLN  37           HA       GLN  37  80.803   9.941  -6.269
  315   1HB   GLN  37           HB2      GLN  37  82.143  11.524  -4.059
  316   2HB   GLN  37           HB1      GLN  37  82.018  11.955  -5.763
  317   1HG   GLN  37           HG2      GLN  37  79.379  11.483  -4.738
  318   2HG   GLN  37           HG1      GLN  37  80.212  12.614  -3.671
  319   1HE2  GLN  37          HE22      GLN  37  79.175  13.781  -7.437
  320   2HE2  GLN  37          HE21      GLN  37  78.934  12.179  -6.932
  321    H    GLY  38           HN       GLY  38  81.851   8.133  -3.653
  322   1HA   GLY  38           HA2      GLY  38  84.535   7.714  -4.922
  323   2HA   GLY  38           HA1      GLY  38  84.271   7.573  -3.183
  324    H    ASP  39           HN       ASP  39  81.547   6.393  -4.677
  325    HA   ASP  39           HA       ASP  39  82.501   3.718  -5.370
  326   1HB   ASP  39           HB2      ASP  39  81.488   4.456  -2.652
  327   2HB   ASP  39           HB1      ASP  39  81.035   2.879  -3.300
  328    H    LYS  40           HN       LYS  40  81.047   3.107  -6.926
  329    HA   LYS  40           HA       LYS  40  78.360   4.302  -6.971
  330   1HB   LYS  40           HB2      LYS  40  79.909   4.050  -8.978
  331   2HB   LYS  40           HB1      LYS  40  79.638   2.311  -8.868
  332   1HG   LYS  40           HG2      LYS  40  77.276   2.574  -9.263
  333   2HG   LYS  40           HG1      LYS  40  77.394   4.328  -9.124
  334   1HD   LYS  40           HD2      LYS  40  78.034   4.548 -11.279
  335   2HD   LYS  40           HD1      LYS  40  79.238   3.268 -11.124
  336   1HE   LYS  40           HE2      LYS  40  77.806   1.648 -11.916
  337   2HE   LYS  40           HE1      LYS  40  76.384   2.400 -11.165
  338   1HZ   LYS  40           HZ1      LYS  40  76.920   4.310 -12.813
  339   2HZ   LYS  40           HZ3      LYS  40  77.740   3.106 -13.681
  340   3HZ   LYS  40           HZ2      LYS  40  76.077   2.944 -13.367
  341    H    GLU  41           HN       GLU  41  79.930   1.427  -6.044
  342    HA   GLU  41           HA       GLU  41  78.105  -0.649  -6.221
  343   1HB   GLU  41           HB2      GLU  41  79.072  -1.206  -3.917
  344   2HB   GLU  41           HB1      GLU  41  80.275  -0.835  -5.159
  345   1HG   GLU  41           HG2      GLU  41  80.540   1.417  -4.357
  346   2HG   GLU  41           HG1      GLU  41  79.139   1.269  -3.300
  347    H    ALA  42           HN       ALA  42  77.943   2.280  -4.284
  348    HA   ALA  42           HA       ALA  42  75.755   1.386  -2.563
  349   1HB   ALA  42           HB1      ALA  42  77.052   4.041  -3.229
  350   2HB   ALA  42           HB3      ALA  42  75.745   3.897  -2.054
  351   3HB   ALA  42           HB2      ALA  42  77.277   3.068  -1.776
  352    H    GLU  43           HN       GLU  43  75.992   2.443  -5.783
  353    HA   GLU  43           HA       GLU  43  73.699   4.010  -6.271
  354   1HB   GLU  43           HB2      GLU  43  75.498   3.072  -7.866
  355   2HB   GLU  43           HB1      GLU  43  74.488   1.628  -7.947
  356   1HG   GLU  43           HG2      GLU  43  73.053   2.621  -9.359
  357   2HG   GLU  43           HG1      GLU  43  72.866   4.000  -8.273
  358    H    ALA  44           HN       ALA  44  73.915   0.451  -6.288
  359    HA   ALA  44           HA       ALA  44  71.206  -0.006  -6.800
  360   1HB   ALA  44           HB1      ALA  44  73.158  -1.628  -6.838
  361   2HB   ALA  44           HB3      ALA  44  73.039  -1.702  -5.079
  362   3HB   ALA  44           HB2      ALA  44  71.702  -2.271  -6.078
  363    H    LYS  45           HN       LYS  45  72.775  -0.316  -3.587
  364    HA   LYS  45           HA       LYS  45  70.497  -0.520  -1.993
  365   1HB   LYS  45           HB2      LYS  45  72.715  -0.622  -1.055
  366   2HB   LYS  45           HB1      LYS  45  73.088   1.013  -1.616
  367   1HG   LYS  45           HG2      LYS  45  71.537   1.990  -0.069
  368   2HG   LYS  45           HG1      LYS  45  70.860   0.414   0.343
  369   1HD   LYS  45           HD2      LYS  45  73.780   0.640   0.735
  370   2HD   LYS  45           HD1      LYS  45  72.813   1.665   1.794
  371   1HE   LYS  45           HE2      LYS  45  71.416  -0.702   1.910
  372   2HE   LYS  45           HE1      LYS  45  73.094  -1.270   1.789
  373   1HZ   LYS  45           HZ1      LYS  45  72.327   0.952   3.587
  374   2HZ   LYS  45           HZ3      LYS  45  72.250  -0.662   4.099
  375   3HZ   LYS  45           HZ2      LYS  45  73.738   0.005   3.621
  376    H    PHE  46           HN       PHE  46  71.746   2.237  -3.742
  377    HA   PHE  46           HA       PHE  46  70.200   4.310  -2.483
  378   1HB   PHE  46           HB2      PHE  46  72.101   3.945  -4.571
  379   2HB   PHE  46           HB1      PHE  46  70.726   4.805  -5.266
  380    HD1  PHE  46           HD1      PHE  46  71.808   4.940  -1.721
  381    HD2  PHE  46           HD2      PHE  46  71.680   6.973  -5.499
  382    HE1  PHE  46           HE1      PHE  46  72.575   7.029  -0.620
  383    HE2  PHE  46           HE2      PHE  46  72.445   9.065  -4.402
  384    HZ   PHE  46           HZ       PHE  46  72.893   9.091  -1.961
  385    H    LYS  47           HN       LYS  47  69.684   2.522  -5.567
  386    HA   LYS  47           HA       LYS  47  66.939   3.630  -5.685
  387   1HB   LYS  47           HB2      LYS  47  67.174   3.202  -7.916
  388   2HB   LYS  47           HB1      LYS  47  68.875   2.964  -7.529
  389   1HG   LYS  47           HG2      LYS  47  66.805   0.757  -7.499
  390   2HG   LYS  47           HG1      LYS  47  67.879   1.092  -8.856
  391   1HD   LYS  47           HD2      LYS  47  69.644   0.998  -6.753
  392   2HD   LYS  47           HD1      LYS  47  68.459  -0.224  -6.291
  393   1HE   LYS  47           HE2      LYS  47  70.031  -0.104  -8.886
  394   2HE   LYS  47           HE1      LYS  47  70.078  -1.378  -7.651
  395   1HZ   LYS  47           HZ1      LYS  47  67.478  -1.275  -8.101
  396   2HZ   LYS  47           HZ3      LYS  47  68.019  -0.798  -9.636
  397   3HZ   LYS  47           HZ2      LYS  47  68.512  -2.290  -8.989
  398    H    GLU  48           HN       GLU  48  68.551   0.902  -4.436
  399    HA   GLU  48           HA       GLU  48  66.512  -1.124  -4.645
  400   1HB   GLU  48           HB2      GLU  48  68.860  -0.473  -2.868
  401   2HB   GLU  48           HB1      GLU  48  67.788  -1.796  -2.424
  402   1HG   GLU  48           HG2      GLU  48  69.102  -1.540  -5.136
  403   2HG   GLU  48           HG1      GLU  48  69.772  -2.496  -3.813
  404    H    ILE  49           HN       ILE  49  67.264   1.527  -2.555
  405    HA   ILE  49           HA       ILE  49  65.203   1.068  -0.547
  406    HB   ILE  49           HB       ILE  49  67.069   3.256  -1.415
  407   1HG1  ILE  49          HG12      ILE  49  66.859   2.201   1.355
  408   2HG1  ILE  49          HG11      ILE  49  67.500   1.122   0.117
  409   1HG2  ILE  49          HG21      ILE  49  64.625   3.534   0.198
  410   2HG2  ILE  49          HG23      ILE  49  66.074   4.211   0.939
  411   3HG2  ILE  49          HG22      ILE  49  65.556   4.761  -0.656
  412   1HD1  ILE  49          HD13      ILE  49  68.830   3.449  -0.447
  413   2HD1  ILE  49          HD12      ILE  49  68.708   3.533   1.309
  414   3HD1  ILE  49          HD11      ILE  49  69.484   2.146   0.543
  415    H    LYS  50           HN       LYS  50  65.671   3.513  -3.056
  416    HA   LYS  50           HA       LYS  50  63.102   4.703  -2.998
  417   1HB   LYS  50           HB2      LYS  50  65.472   4.831  -4.490
  418   2HB   LYS  50           HB1      LYS  50  64.237   4.424  -5.681
  419   1HG   LYS  50           HG2      LYS  50  62.970   6.354  -4.180
  420   2HG   LYS  50           HG1      LYS  50  64.641   6.923  -4.180
  421   1HD   LYS  50           HD2      LYS  50  63.630   5.951  -6.791
  422   2HD   LYS  50           HD1      LYS  50  62.886   7.435  -6.195
  423   1HE   LYS  50           HE2      LYS  50  65.092   8.482  -5.944
  424   2HE   LYS  50           HE1      LYS  50  65.880   6.977  -6.461
  425   1HZ   LYS  50           HZ3      LYS  50  64.277   7.165  -8.455
  426   2HZ   LYS  50           HZ2      LYS  50  64.174   8.805  -8.025
  427   3HZ   LYS  50           HZ1      LYS  50  65.674   8.125  -8.441
  428    H    GLU  51           HN       GLU  51  64.205   1.668  -4.336
  429    HA   GLU  51           HA       GLU  51  61.880   1.154  -6.023
  430   1HB   GLU  51           HB2      GLU  51  64.167   0.243  -6.356
  431   2HB   GLU  51           HB1      GLU  51  64.005  -0.658  -4.847
  432   1HG   GLU  51           HG2      GLU  51  62.898  -2.308  -5.911
  433   2HG   GLU  51           HG1      GLU  51  61.698  -1.154  -6.493
  434    H    ALA  52           HN       ALA  52  62.857   0.466  -2.707
  435    HA   ALA  52           HA       ALA  52  60.992  -1.538  -1.970
  436   1HB   ALA  52           HB3      ALA  52  62.887  -0.633  -0.635
  437   2HB   ALA  52           HB2      ALA  52  61.980   0.862  -0.407
  438   3HB   ALA  52           HB1      ALA  52  61.378  -0.648   0.278
  439    H    TYR  53           HN       TYR  53  60.459   1.673  -3.008
  440    HA   TYR  53           HA       TYR  53  58.039   2.269  -1.561
  441   1HB   TYR  53           HB2      TYR  53  59.294   3.231  -4.158
  442   2HB   TYR  53           HB1      TYR  53  57.872   3.978  -3.441
  443    HD1  TYR  53           HD1      TYR  53  61.262   2.824  -2.198
  444    HD2  TYR  53           HD2      TYR  53  58.289   5.922  -2.297
  445    HE1  TYR  53           HE1      TYR  53  62.697   4.229  -0.787
  446    HE2  TYR  53           HE2      TYR  53  59.735   7.335  -0.876
  447    HH   TYR  53           HH       TYR  53  61.932   6.453   0.977
  448    H    GLU  54           HN       GLU  54  58.834   0.856  -4.711
  449    HA   GLU  54           HA       GLU  54  56.221   0.663  -5.819
  450   1HB   GLU  54           HB2      GLU  54  58.331  -1.484  -6.096
  451   2HB   GLU  54           HB1      GLU  54  57.224  -0.871  -7.326
  452   1HG   GLU  54           HG2      GLU  54  58.585   1.395  -6.635
  453   2HG   GLU  54           HG1      GLU  54  59.835   0.164  -6.459
  454    H    VAL  55           HN       VAL  55  57.745  -0.943  -3.190
  455    HA   VAL  55           HA       VAL  55  55.711  -3.080  -3.207
  456    HB   VAL  55           HB       VAL  55  58.483  -2.844  -2.570
  457   1HG1  VAL  55          HG12      VAL  55  56.721  -3.613  -0.231
  458   2HG1  VAL  55          HG11      VAL  55  58.436  -4.014  -0.337
  459   3HG1  VAL  55          HG13      VAL  55  57.926  -2.326  -0.277
  460   1HG2  VAL  55          HG22      VAL  55  57.241  -4.713  -3.711
  461   2HG2  VAL  55          HG21      VAL  55  58.378  -5.240  -2.469
  462   3HG2  VAL  55          HG23      VAL  55  56.651  -5.200  -2.122
  463    H    LEU  56           HN       LEU  56  57.139  -0.647  -1.006
  464    HA   LEU  56           HA       LEU  56  54.994  -1.183   0.914
  465   1HB   LEU  56           HB2      LEU  56  56.695  -0.783   2.289
  466   2HB   LEU  56           HB1      LEU  56  57.704  -0.402   0.907
  467    HG   LEU  56           HG       LEU  56  57.738   1.401   2.527
  468   1HD1  LEU  56          HD11      LEU  56  56.929   1.639  -0.216
  469   2HD1  LEU  56          HD13      LEU  56  56.239   2.962   0.720
  470   3HD1  LEU  56          HD12      LEU  56  57.982   2.698   0.721
  471   1HD2  LEU  56          HD22      LEU  56  54.995   0.773   2.796
  472   2HD2  LEU  56          HD21      LEU  56  55.903   2.008   3.670
  473   3HD2  LEU  56          HD23      LEU  56  55.067   2.422   2.173
  474    H    THR  57           HN       THR  57  55.536   1.306  -1.528
  475    HA   THR  57           HA       THR  57  53.658   3.146  -0.150
  476    HB   THR  57           HB       THR  57  54.045   4.573  -2.141
  477    HG1  THR  57           HG1      THR  57  55.965   3.371  -3.377
  478   1HG2  THR  57          HG22      THR  57  55.691   4.452  -0.197
  479   2HG2  THR  57          HG21      THR  57  56.689   3.441  -1.239
  480   3HG2  THR  57          HG23      THR  57  56.324   5.096  -1.709
  481    H    ASP  58           HN       ASP  58  52.678   0.474  -0.940
  482    HA   ASP  58           HA       ASP  58  50.309   1.361  -2.461
  483   1HB   ASP  58           HB2      ASP  58  52.523  -0.017  -3.635
  484   2HB   ASP  58           HB1      ASP  58  51.165  -1.145  -3.560
  485    H    SER  59           HN       SER  59  48.626   0.638  -1.412
  486    HA   SER  59           HA       SER  59  48.655  -0.981   0.816
  487   1HB   SER  59           HB2      SER  59  46.814   0.462  -0.431
  488   2HB   SER  59           HB1      SER  59  46.327  -1.109  -1.059
  489    HG   SER  59           HG       SER  59  45.611  -0.141   1.188
  490    H    GLN  60           HN       GLN  60  48.102  -1.999  -2.551
  491    HA   GLN  60           HA       GLN  60  47.626  -4.771  -2.031
  492   1HB   GLN  60           HB2      GLN  60  47.190  -3.468  -4.132
  493   2HB   GLN  60           HB1      GLN  60  48.930  -3.423  -4.420
  494   1HG   GLN  60           HG2      GLN  60  48.786  -6.021  -4.165
  495   2HG   GLN  60           HG1      GLN  60  47.067  -5.782  -4.484
  496   1HE2  GLN  60          HE22      GLN  60  49.770  -5.283  -7.500
  497   2HE2  GLN  60          HE21      GLN  60  50.298  -5.533  -5.906
  498    H    LYS  61           HN       LYS  61  50.622  -3.000  -2.815
  499    HA   LYS  61           HA       LYS  61  52.408  -5.252  -2.763
  500   1HB   LYS  61           HB2      LYS  61  52.837  -2.317  -2.205
  501   2HB   LYS  61           HB1      LYS  61  54.081  -3.478  -2.663
  502   1HG   LYS  61           HG2      LYS  61  51.674  -2.740  -4.344
  503   2HG   LYS  61           HG1      LYS  61  53.319  -2.170  -4.615
  504   1HD   LYS  61           HD2      LYS  61  52.423  -5.068  -4.670
  505   2HD   LYS  61           HD1      LYS  61  52.806  -4.084  -6.084
  506   1HE   LYS  61           HE2      LYS  61  55.118  -3.718  -4.963
  507   2HE   LYS  61           HE1      LYS  61  54.685  -5.109  -3.951
  508   1HZ   LYS  61           HZ3      LYS  61  54.081  -5.426  -6.760
  509   2HZ   LYS  61           HZ2      LYS  61  55.741  -5.303  -6.421
  510   3HZ   LYS  61           HZ1      LYS  61  54.808  -6.514  -5.680
  511    H    ARG  62           HN       ARG  62  51.749  -2.785  -0.243
  512    HA   ARG  62           HA       ARG  62  53.366  -4.117   1.732
  513   1HB   ARG  62           HB2      ARG  62  52.194  -2.556   3.260
  514   2HB   ARG  62           HB1      ARG  62  52.657  -1.725   1.774
  515   1HG   ARG  62           HG2      ARG  62  50.505  -1.377   1.172
  516   2HG   ARG  62           HG1      ARG  62  50.039  -3.022   1.586
  517   1HD   ARG  62           HD2      ARG  62  48.902  -2.022   3.306
  518   2HD   ARG  62           HD1      ARG  62  50.497  -1.938   4.077
  519    HE   ARG  62           HE       ARG  62  49.983   0.261   2.217
  520   1HH1  ARG  62          HH21      ARG  62  49.506  -0.957   5.412
  521   2HH1  ARG  62          HH22      ARG  62  49.482   0.612   6.144
  522   1HH2  ARG  62          HH11      ARG  62  50.012   2.307   3.169
  523   2HH2  ARG  62          HH12      ARG  62  49.769   2.458   4.877
  524    H    ALA  63           HN       ALA  63  50.174  -4.617   0.517
  525    HA   ALA  63           HA       ALA  63  49.121  -6.107   2.788
  526   1HB   ALA  63           HB3      ALA  63  48.400  -5.925  -0.163
  527   2HB   ALA  63           HB2      ALA  63  47.415  -6.760   1.038
  528   3HB   ALA  63           HB1      ALA  63  47.659  -5.019   1.155
  529    H    ALA  64           HN       ALA  64  51.006  -6.707  -0.070
  530    HA   ALA  64           HA       ALA  64  50.863  -9.591  -0.103
  531   1HB   ALA  64           HB2      ALA  64  51.681  -7.708  -1.799
  532   2HB   ALA  64           HB1      ALA  64  53.232  -7.969  -1.000
  533   3HB   ALA  64           HB3      ALA  64  52.430  -9.306  -1.825
  534    H    TYR  65           HN       TYR  65  53.149  -7.197   1.230
  535    HA   TYR  65           HA       TYR  65  54.993  -9.032   2.400
  536   1HB   TYR  65           HB2      TYR  65  54.774  -6.351   2.002
  537   2HB   TYR  65           HB1      TYR  65  54.441  -6.447   3.739
  538    HD1  TYR  65           HD1      TYR  65  56.720  -8.260   1.367
  539    HD2  TYR  65           HD2      TYR  65  56.323  -6.106   5.061
  540    HE1  TYR  65           HE1      TYR  65  59.119  -8.649   1.852
  541    HE2  TYR  65           HE2      TYR  65  58.726  -6.488   5.541
  542    HH   TYR  65           HH       TYR  65  60.465  -8.469   4.693
  543    H    ASP  66           HN       ASP  66  52.155  -7.363   3.833
  544    HA   ASP  66           HA       ASP  66  52.360  -8.152   6.485
  545   1HB   ASP  66           HB2      ASP  66  50.228  -7.340   6.555
  546   2HB   ASP  66           HB1      ASP  66  50.496  -6.963   4.857
  547    H    GLN  67           HN       GLN  67  51.736 -10.192   3.725
  548    HA   GLN  67           HA       GLN  67  51.043 -12.497   5.493
  549   1HB   GLN  67           HB2      GLN  67  50.980 -12.137   2.478
  550   2HB   GLN  67           HB1      GLN  67  50.327 -13.515   3.363
  551   1HG   GLN  67           HG2      GLN  67  49.371 -10.876   4.289
  552   2HG   GLN  67           HG1      GLN  67  48.859 -11.323   2.662
  553   1HE2  GLN  67          HE22      GLN  67  46.895 -12.936   5.703
  554   2HE2  GLN  67          HE21      GLN  67  47.795 -11.499   5.776
  555    H    TYR  68           HN       TYR  68  53.769 -11.079   4.266
  556    HA   TYR  68           HA       TYR  68  55.954 -11.861   3.823
  557   1HB   TYR  68           HB2      TYR  68  54.617 -13.806   5.662
  558   2HB   TYR  68           HB1      TYR  68  56.189 -14.259   4.992
  559    HD1  TYR  68           HD1      TYR  68  54.382 -11.832   7.109
  560    HD2  TYR  68           HD2      TYR  68  58.210 -13.032   5.573
  561    HE1  TYR  68           HE1      TYR  68  55.506 -10.352   8.752
  562    HE2  TYR  68           HE2      TYR  68  59.333 -11.551   7.215
  563    HH   TYR  68           HH       TYR  68  58.693  -9.434   8.517
  564    H    GLY  69           HN       GLY  69  53.517 -12.717   2.067
  565   1HA   GLY  69           HA2      GLY  69  53.814 -13.674  -0.156
  566   2HA   GLY  69           HA1      GLY  69  55.046 -14.746   0.511
  567    H    HIS  70           HN       HIS  70  52.576 -15.445  -0.998
  568    HA   HIS  70           HA       HIS  70  50.491 -16.448   0.608
  569   1HB   HIS  70           HB2      HIS  70  50.112 -17.966  -1.293
  570   2HB   HIS  70           HB1      HIS  70  50.575 -16.365  -1.878
  571    HD1  HIS  70           HD1      HIS  70  51.682 -19.906  -1.784
  572    HD2  HIS  70           HD2      HIS  70  53.297 -16.223  -2.880
  573    HE1  HIS  70           HE1      HIS  70  53.779 -20.410  -3.111
  574    H    ALA  71           HN       ALA  71  53.781 -17.500   0.417
  575    HA   ALA  71           HA       ALA  71  53.741 -20.221   1.006
  576   1HB   ALA  71           HB2      ALA  71  55.405 -17.942   2.120
  577   2HB   ALA  71           HB1      ALA  71  55.810 -19.640   2.374
  578   3HB   ALA  71           HB3      ALA  71  55.793 -18.972   0.741
  579    H    ALA  72           HN       ALA  72  53.241 -17.500   3.264
  580    HA   ALA  72           HA       ALA  72  53.018 -18.915   5.692
  581   1HB   ALA  72           HB3      ALA  72  51.657 -16.461   4.555
  582   2HB   ALA  72           HB2      ALA  72  51.439 -16.957   6.234
  583   3HB   ALA  72           HB1      ALA  72  53.042 -16.521   5.644
  584    H    PHE  73           HN       PHE  73  50.936 -18.931   2.925
  585    HA   PHE  73           HA       PHE  73  49.092 -20.788   4.339
  586   1HB   PHE  73           HB2      PHE  73  48.531 -18.049   3.329
  587   2HB   PHE  73           HB1      PHE  73  47.318 -19.273   2.940
  588    HD1  PHE  73           HD2      PHE  73  47.181 -21.037   5.160
  589    HD2  PHE  73           HD1      PHE  73  47.881 -16.800   5.182
  590    HE1  PHE  73           HE2      PHE  73  46.304 -20.904   7.476
  591    HE2  PHE  73           HE1      PHE  73  47.005 -16.666   7.499
  592    HZ   PHE  73           HZ       PHE  73  46.216 -18.719   8.646
  593    H    GLU  74           HN       GLU  74  50.704 -21.938   2.717
  594    HA   GLU  74           HA       GLU  74  50.543 -21.835  -0.066
  595   1HB   GLU  74           HB2      GLU  74  50.522 -24.369   1.596
  596   2HB   GLU  74           HB1      GLU  74  51.298 -24.120   0.032
  597   1HG   GLU  74           HG2      GLU  74  52.318 -22.101   1.715
  598   2HG   GLU  74           HG1      GLU  74  52.332 -23.578   2.678
  599    H    GLN  75           HN       GLN  75  48.892 -22.160  -1.509
  600    HA   GLN  75           HA       GLN  75  46.748 -22.726  -2.334
  601   1HB   GLN  75           HB2      GLN  75  47.807 -24.947  -0.690
  602   2HB   GLN  75           HB1      GLN  75  46.071 -25.014  -0.994
  603   1HG   GLN  75           HG2      GLN  75  46.660 -25.977  -2.965
  604   2HG   GLN  75           HG1      GLN  75  47.045 -24.331  -3.469
  605   1HE2  GLN  75          HE22      GLN  75  50.611 -24.798  -2.939
  606   2HE2  GLN  75          HE21      GLN  75  49.397 -23.628  -2.733
  607    H    GLY  76           HN       GLY  76  45.328 -21.132  -1.578
  608   1HA   GLY  76           HA2      GLY  76  44.460 -21.097   1.221
  609   2HA   GLY  76           HA1      GLY  76  43.892 -20.018  -0.056
  610    H    GLY  77           HN       GLY  77  43.847 -23.577   0.325
  611   1HA   GLY  77           HA2      GLY  77  40.903 -23.451  -0.202
  612   2HA   GLY  77           HA1      GLY  77  41.929 -24.751  -0.808
   
  No H/Q in entry =         612
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1  70.601  -9.288   6.724
    2   2H    ALA   1           HT3      ALA   1  72.210  -9.406   7.247
    3   3H    ALA   1           HT2      ALA   1  70.988  -8.985   8.350
    4    HA   ALA   1           HA       ALA   1  72.241  -7.013   7.727
    5   1HB   ALA   1           HB3      ALA   1  72.457  -8.414   5.375
    6   2HB   ALA   1           HB2      ALA   1  71.287  -7.169   4.935
    7   3HB   ALA   1           HB1      ALA   1  72.874  -6.710   5.553
    8    H    LYS   2           HN       LYS   2  69.186  -8.353   7.548
    9    HA   LYS   2           HA       LYS   2  66.999  -7.430   7.470
   10   1HB   LYS   2           HB2      LYS   2  68.682  -5.306   8.839
   11   2HB   LYS   2           HB1      LYS   2  66.921  -5.362   8.900
   12   1HG   LYS   2           HG2      LYS   2  67.116  -6.726  10.682
   13   2HG   LYS   2           HG1      LYS   2  67.737  -7.955   9.580
   14   1HD   LYS   2           HD2      LYS   2  69.799  -7.792  10.470
   15   2HD   LYS   2           HD1      LYS   2  69.816  -6.046  10.212
   16   1HE   LYS   2           HE2      LYS   2  68.107  -6.217  12.337
   17   2HE   LYS   2           HE1      LYS   2  69.205  -7.570  12.674
   18   1HZ   LYS   2           HZ3      LYS   2  70.129  -4.865  11.873
   19   2HZ   LYS   2           HZ2      LYS   2  70.015  -5.370  13.492
   20   3HZ   LYS   2           HZ1      LYS   2  71.081  -6.155  12.426
   21    H    GLN   3           HN       GLN   3  67.805  -7.184   4.962
   22    HA   GLN   3           HA       GLN   3  67.476  -4.288   4.246
   23   1HB   GLN   3           HB2      GLN   3  69.261  -6.468   3.375
   24   2HB   GLN   3           HB1      GLN   3  68.574  -5.519   2.056
   25   1HG   GLN   3           HG2      GLN   3  69.637  -3.581   2.706
   26   2HG   GLN   3           HG1      GLN   3  69.631  -4.027   4.413
   27   1HE2  GLN   3          HE22      GLN   3  72.647  -5.448   2.005
   28   2HE2  GLN   3          HE21      GLN   3  71.186  -4.949   1.298
   29    H    ASP   4           HN       ASP   4  65.093  -5.336   4.622
   30    HA   ASP   4           HA       ASP   4  64.146  -6.342   1.975
   31   1HB   ASP   4           HB2      ASP   4  63.170  -7.962   3.232
   32   2HB   ASP   4           HB1      ASP   4  63.818  -7.205   4.686
   33    H    TYR   5           HN       TYR   5  63.841  -4.380   0.972
   34    HA   TYR   5           HA       TYR   5  63.118  -2.090   0.823
   35   1HB   TYR   5           HB2      TYR   5  60.391  -2.661   0.828
   36   2HB   TYR   5           HB1      TYR   5  61.485  -2.776  -0.546
   37    HD1  TYR   5           HD1      TYR   5  62.644  -4.938  -1.048
   38    HD2  TYR   5           HD2      TYR   5  59.480  -4.635   1.837
   39    HE1  TYR   5           HE1      TYR   5  62.310  -7.393  -1.162
   40    HE2  TYR   5           HE2      TYR   5  59.144  -7.092   1.726
   41    HH   TYR   5           HH       TYR   5  59.579  -8.941   0.162
   42    H    TYR   6           HN       TYR   6  60.440  -3.332   2.836
   43    HA   TYR   6           HA       TYR   6  59.985  -1.026   4.325
   44   1HB   TYR   6           HB2      TYR   6  59.801  -3.959   4.896
   45   2HB   TYR   6           HB1      TYR   6  59.366  -2.780   6.141
   46    HD1  TYR   6           HD1      TYR   6  57.844  -0.798   5.344
   47    HD2  TYR   6           HD2      TYR   6  58.168  -4.566   3.310
   48    HE1  TYR   6           HE1      TYR   6  55.674  -0.380   4.226
   49    HE2  TYR   6           HE2      TYR   6  55.988  -4.145   2.190
   50    HH   TYR   6           HH       TYR   6  54.057  -1.275   3.009
   51    H    GLU   7           HN       GLU   7  62.589  -3.404   4.645
   52    HA   GLU   7           HA       GLU   7  63.686  -2.017   7.038
   53   1HB   GLU   7           HB2      GLU   7  63.790  -4.621   5.840
   54   2HB   GLU   7           HB1      GLU   7  65.434  -3.979   5.881
   55   1HG   GLU   7           HG2      GLU   7  65.348  -4.862   8.008
   56   2HG   GLU   7           HG1      GLU   7  64.677  -3.265   8.347
   57    H    ILE   8           HN       ILE   8  64.139  -2.390   3.570
   58    HA   ILE   8           HA       ILE   8  66.667  -1.356   3.069
   59    HB   ILE   8           HB       ILE   8  63.997  -0.966   1.753
   60   1HG1  ILE   8          HG12      ILE   8  65.214  -3.237   1.888
   61   2HG1  ILE   8          HG11      ILE   8  64.750  -2.701   0.273
   62   1HG2  ILE   8          HG23      ILE   8  66.711  -0.081   0.786
   63   2HG2  ILE   8          HG22      ILE   8  65.279  -0.196  -0.241
   64   3HG2  ILE   8          HG21      ILE   8  65.309   0.937   1.111
   65   1HD1  ILE   8          HD11      ILE   8  67.475  -2.157   1.472
   66   2HD1  ILE   8          HD13      ILE   8  67.125  -3.577   0.487
   67   3HD1  ILE   8          HD12      ILE   8  66.983  -1.964  -0.210
   68    H    LEU   9           HN       LEU   9  63.660   0.392   3.627
   69    HA   LEU   9           HA       LEU   9  64.882   3.071   3.688
   70   1HB   LEU   9           HB2      LEU   9  62.174   1.980   4.523
   71   2HB   LEU   9           HB1      LEU   9  62.541   3.664   4.150
   72    HG   LEU   9           HG       LEU   9  63.448   2.099   1.976
   73   1HD1  LEU   9          HD12      LEU   9  61.168   0.921   3.287
   74   2HD1  LEU   9          HD11      LEU   9  60.706   1.507   1.691
   75   3HD1  LEU   9          HD13      LEU   9  62.033   0.361   1.856
   76   1HD2  LEU   9          HD21      LEU   9  61.772   4.376   2.542
   77   2HD2  LEU   9          HD23      LEU   9  62.639   3.993   1.055
   78   3HD2  LEU   9          HD22      LEU   9  61.006   3.375   1.309
   79    H    GLY  10           HN       GLY  10  64.136   0.481   5.886
   80   1HA   GLY  10           HA2      GLY  10  65.129   0.336   8.095
   81   2HA   GLY  10           HA1      GLY  10  65.168   2.101   8.154
   82    H    VAL  11           HN       VAL  11  62.297   0.803   6.823
   83    HA   VAL  11           HA       VAL  11  60.834   1.590   9.310
   84    HB   VAL  11           HB       VAL  11  59.098   0.913   7.152
   85   1HG1  VAL  11          HG11      VAL  11  59.929   3.466   8.514
   86   2HG1  VAL  11          HG13      VAL  11  58.678   3.429   7.273
   87   3HG1  VAL  11          HG12      VAL  11  58.461   2.521   8.770
   88   1HG2  VAL  11          HG23      VAL  11  61.461   2.595   6.358
   89   2HG2  VAL  11          HG22      VAL  11  60.766   1.210   5.513
   90   3HG2  VAL  11          HG21      VAL  11  59.895   2.741   5.562
   91    H    SER  12           HN       SER  12  58.580   0.262   9.296
   92    HA   SER  12           HA       SER  12  59.338  -2.523   9.842
   93   1HB   SER  12           HB2      SER  12  57.388  -0.580  10.695
   94   2HB   SER  12           HB1      SER  12  56.577  -2.071  10.223
   95    HG   SER  12           HG       SER  12  58.237  -3.131  11.563
   96    H    LYS  13           HN       LYS  13  58.406  -4.331   8.797
   97    HA   LYS  13           HA       LYS  13  57.950  -4.231   6.041
   98   1HB   LYS  13           HB2      LYS  13  57.202  -6.462   6.292
   99   2HB   LYS  13           HB1      LYS  13  58.403  -6.181   7.553
  100   1HG   LYS  13           HG2      LYS  13  56.463  -5.583   9.098
  101   2HG   LYS  13           HG1      LYS  13  55.388  -6.215   7.851
  102   1HD   LYS  13           HD2      LYS  13  56.570  -8.391   7.946
  103   2HD   LYS  13           HD1      LYS  13  57.609  -7.758   9.223
  104   1HE   LYS  13           HE2      LYS  13  54.696  -7.444   9.704
  105   2HE   LYS  13           HE1      LYS  13  55.307  -9.111   9.741
  106   1HZ   LYS  13           HZ2      LYS  13  56.897  -7.019  11.039
  107   2HZ   LYS  13           HZ1      LYS  13  55.499  -7.559  11.840
  108   3HZ   LYS  13           HZ3      LYS  13  56.730  -8.659  11.449
  109    H    THR  14           HN       THR  14  55.862  -3.308   8.614
  110    HA   THR  14           HA       THR  14  53.534  -3.139   6.743
  111    HB   THR  14           HB       THR  14  52.184  -3.422   8.649
  112    HG1  THR  14           HG1      THR  14  52.622  -2.306  10.348
  113   1HG2  THR  14          HG22      THR  14  53.544  -5.449   8.281
  114   2HG2  THR  14          HG21      THR  14  54.779  -4.817   9.368
  115   3HG2  THR  14          HG23      THR  14  53.184  -5.233   9.993
  116    H    ALA  15           HN       ALA  15  56.039  -1.305   7.438
  117    HA   ALA  15           HA       ALA  15  55.301   1.100   8.653
  118   1HB   ALA  15           HB2      ALA  15  57.500   0.281   7.797
  119   2HB   ALA  15           HB1      ALA  15  56.962   0.699   6.171
  120   3HB   ALA  15           HB3      ALA  15  57.149   1.960   7.388
  121    H    GLU  16           HN       GLU  16  55.925   2.703   6.154
  122    HA   GLU  16           HA       GLU  16  53.584   2.590   4.454
  123   1HB   GLU  16           HB2      GLU  16  53.631   4.083   6.966
  124   2HB   GLU  16           HB1      GLU  16  53.319   5.141   5.586
  125   1HG   GLU  16           HG2      GLU  16  51.533   3.557   4.839
  126   2HG   GLU  16           HG1      GLU  16  51.795   2.621   6.312
  127    H    GLU  17           HN       GLU  17  53.591   5.066   3.442
  128    HA   GLU  17           HA       GLU  17  56.261   5.308   2.220
  129   1HB   GLU  17           HB2      GLU  17  55.088   6.682   0.615
  130   2HB   GLU  17           HB1      GLU  17  54.047   5.309   0.994
  131   1HG   GLU  17           HG2      GLU  17  52.443   6.828   1.467
  132   2HG   GLU  17           HG1      GLU  17  53.367   7.185   2.928
  133    H    ARG  18           HN       ARG  18  54.696   6.706   4.884
  134    HA   ARG  18           HA       ARG  18  55.783   9.408   4.567
  135   1HB   ARG  18           HB2      ARG  18  54.931   9.558   6.982
  136   2HB   ARG  18           HB1      ARG  18  53.723   9.160   5.761
  137   1HG   ARG  18           HG2      ARG  18  53.382   7.084   6.606
  138   2HG   ARG  18           HG1      ARG  18  55.106   6.810   6.857
  139   1HD   ARG  18           HD2      ARG  18  54.645   7.039   9.081
  140   2HD   ARG  18           HD1      ARG  18  54.481   8.773   8.742
  141    HE   ARG  18           HE       ARG  18  52.261   6.875   9.085
  142   1HH1  ARG  18          HH11      ARG  18  51.589   8.227   6.571
  143   2HH1  ARG  18          HH12      ARG  18  50.803   9.680   7.097
  144   1HH2  ARG  18          HH21      ARG  18  52.005   9.472  10.340
  145   2HH2  ARG  18          HH22      ARG  18  51.032  10.378   9.231
  146    H    GLU  19           HN       GLU  19  56.793   6.446   6.113
  147    HA   GLU  19           HA       GLU  19  59.111   7.830   7.341
  148   1HB   GLU  19           HB2      GLU  19  59.282   5.175   8.047
  149   2HB   GLU  19           HB1      GLU  19  58.488   6.405   9.017
  150   1HG   GLU  19           HG2      GLU  19  56.343   5.864   7.838
  151   2HG   GLU  19           HG1      GLU  19  57.174   4.544   7.016
  152    H    ILE  20           HN       ILE  20  58.096   5.980   4.656
  153    HA   ILE  20           HA       ILE  20  60.725   4.813   4.033
  154    HB   ILE  20           HB       ILE  20  57.951   4.735   3.082
  155   1HG1  ILE  20          HG12      ILE  20  59.297   2.618   1.968
  156   2HG1  ILE  20          HG11      ILE  20  60.314   3.004   3.354
  157   1HG2  ILE  20          HG23      ILE  20  60.133   5.264   1.093
  158   2HG2  ILE  20          HG22      ILE  20  58.883   4.099   0.673
  159   3HG2  ILE  20          HG21      ILE  20  58.442   5.763   1.055
  160   1HD1  ILE  20          HD13      ILE  20  58.157   3.045   4.732
  161   2HD1  ILE  20          HD12      ILE  20  57.377   2.291   3.341
  162   3HD1  ILE  20          HD11      ILE  20  58.692   1.460   4.171
  163    H    ARG  21           HN       ARG  21  58.599   7.337   2.654
  164    HA   ARG  21           HA       ARG  21  60.432   8.546   0.877
  165   1HB   ARG  21           HB2      ARG  21  58.971  10.502   1.154
  166   2HB   ARG  21           HB1      ARG  21  57.968   9.054   1.226
  167   1HG   ARG  21           HG2      ARG  21  57.219  10.310   3.070
  168   2HG   ARG  21           HG1      ARG  21  58.356   9.175   3.794
  169   1HD   ARG  21           HD2      ARG  21  59.477  10.958   4.640
  170   2HD   ARG  21           HD1      ARG  21  59.901  11.412   2.978
  171    HE   ARG  21           HE       ARG  21  57.187  12.191   3.611
  172   1HH1  ARG  21          HH11      ARG  21  59.948  12.961   5.292
  173   2HH1  ARG  21          HH12      ARG  21  59.924  14.657   4.940
  174   1HH2  ARG  21          HH21      ARG  21  57.375  14.404   2.601
  175   2HH2  ARG  21          HH22      ARG  21  58.460  15.475   3.424
  176    H    LYS  22           HN       LYS  22  60.054   8.645   4.329
  177    HA   LYS  22           HA       LYS  22  61.881  10.763   4.919
  178   1HB   LYS  22           HB2      LYS  22  59.886   9.638   6.212
  179   2HB   LYS  22           HB1      LYS  22  61.116   8.495   6.748
  180   1HG   LYS  22           HG2      LYS  22  61.300  11.512   7.066
  181   2HG   LYS  22           HG1      LYS  22  60.827  10.393   8.342
  182   1HD   LYS  22           HD2      LYS  22  63.485  10.285   6.880
  183   2HD   LYS  22           HD1      LYS  22  63.244  11.044   8.447
  184   1HE   LYS  22           HE2      LYS  22  62.241   8.253   8.204
  185   2HE   LYS  22           HE1      LYS  22  64.003   8.462   8.217
  186   1HZ   LYS  22           HZ3      LYS  22  63.735   9.928  10.158
  187   2HZ   LYS  22           HZ2      LYS  22  62.072   9.574  10.186
  188   3HZ   LYS  22           HZ1      LYS  22  63.212   8.348  10.473
  189    H    ALA  23           HN       ALA  23  62.101   7.218   5.363
  190    HA   ALA  23           HA       ALA  23  64.733   6.970   6.217
  191   1HB   ALA  23           HB2      ALA  23  62.911   5.396   4.428
  192   2HB   ALA  23           HB1      ALA  23  64.551   4.816   4.716
  193   3HB   ALA  23           HB3      ALA  23  63.438   5.024   6.069
  194    H    TYR  24           HN       TYR  24  63.646   6.984   2.812
  195    HA   TYR  24           HA       TYR  24  66.303   7.072   1.706
  196   1HB   TYR  24           HB2      TYR  24  64.039   6.306   0.718
  197   2HB   TYR  24           HB1      TYR  24  63.727   8.012   0.421
  198    HD1  TYR  24           HD2      TYR  24  66.981   6.184   0.230
  199    HD2  TYR  24           HD1      TYR  24  63.875   8.227  -1.922
  200    HE1  TYR  24           HE2      TYR  24  68.358   6.110  -1.828
  201    HE2  TYR  24           HE1      TYR  24  65.255   8.149  -3.984
  202    HH   TYR  24           HH       TYR  24  68.169   6.265  -4.172
  203    H    LYS  25           HN       LYS  25  64.243   9.401   3.170
  204    HA   LYS  25           HA       LYS  25  65.497  11.686   1.808
  205   1HB   LYS  25           HB2      LYS  25  63.253  12.048   2.144
  206   2HB   LYS  25           HB1      LYS  25  63.214  10.981   3.544
  207   1HG   LYS  25           HG2      LYS  25  64.811  13.362   4.057
  208   2HG   LYS  25           HG1      LYS  25  63.135  13.744   3.641
  209   1HD   LYS  25           HD2      LYS  25  62.264  12.419   5.347
  210   2HD   LYS  25           HD1      LYS  25  63.755  11.489   5.513
  211   1HE   LYS  25           HE2      LYS  25  63.358  13.179   7.385
  212   2HE   LYS  25           HE1      LYS  25  64.893  13.406   6.524
  213   1HZ   LYS  25           HZ3      LYS  25  62.397  14.731   5.650
  214   2HZ   LYS  25           HZ2      LYS  25  63.435  15.449   6.789
  215   3HZ   LYS  25           HZ1      LYS  25  63.992  15.109   5.219
  216    H    ARG  26           HN       ARG  26  65.396  10.107   4.977
  217    HA   ARG  26           HA       ARG  26  67.294  12.025   6.146
  218   1HB   ARG  26           HB2      ARG  26  65.431   9.926   6.981
  219   2HB   ARG  26           HB1      ARG  26  66.942   9.908   7.892
  220   1HG   ARG  26           HG2      ARG  26  66.393  12.594   7.783
  221   2HG   ARG  26           HG1      ARG  26  64.776  11.902   7.893
  222   1HD   ARG  26           HD2      ARG  26  65.100  11.598  10.114
  223   2HD   ARG  26           HD1      ARG  26  66.418  10.470   9.735
  224    HE   ARG  26           HE       ARG  26  67.897  12.536   9.562
  225   1HH1  ARG  26          HH11      ARG  26  65.177  14.109  10.077
  226   2HH1  ARG  26          HH12      ARG  26  65.524  14.723  11.658
  227   1HH2  ARG  26          HH21      ARG  26  68.263  12.658  12.150
  228   2HH2  ARG  26          HH22      ARG  26  67.270  13.904  12.830
  229    H    LEU  27           HN       LEU  27  67.269   8.624   5.064
  230    HA   LEU  27           HA       LEU  27  70.009   8.123   5.940
  231   1HB   LEU  27           HB2      LEU  27  69.562   5.941   5.232
  232   2HB   LEU  27           HB1      LEU  27  67.943   6.531   5.605
  233    HG   LEU  27           HG       LEU  27  67.992   7.272   3.061
  234   1HD1  LEU  27          HD12      LEU  27  70.438   5.856   3.329
  235   2HD1  LEU  27          HD11      LEU  27  69.360   4.839   2.375
  236   3HD1  LEU  27          HD13      LEU  27  69.716   6.483   1.848
  237   1HD2  LEU  27          HD22      LEU  27  66.650   5.421   4.403
  238   2HD2  LEU  27          HD21      LEU  27  66.629   5.437   2.639
  239   3HD2  LEU  27          HD23      LEU  27  67.693   4.323   3.498
  240    H    ALA  28           HN       ALA  28  68.397   9.014   2.915
  241    HA   ALA  28           HA       ALA  28  70.781   8.601   1.313
  242   1HB   ALA  28           HB3      ALA  28  68.249   8.559   0.727
  243   2HB   ALA  28           HB2      ALA  28  68.413  10.312   0.610
  244   3HB   ALA  28           HB1      ALA  28  69.364   9.264  -0.442
  245    H    MET  29           HN       MET  29  69.172  11.398   2.826
  246    HA   MET  29           HA       MET  29  70.866  13.421   1.737
  247   1HB   MET  29           HB2      MET  29  70.101  14.719   3.669
  248   2HB   MET  29           HB1      MET  29  68.759  13.731   3.097
  249   1HG   MET  29           HG2      MET  29  69.006  12.175   4.868
  250   2HG   MET  29           HG1      MET  29  70.616  12.766   5.272
  251   1HE   MET  29           HE2      MET  29  71.249  14.498   6.535
  252   2HE   MET  29           HE1      MET  29  70.583  15.874   5.661
  253   3HE   MET  29           HE3      MET  29  70.290  15.698   7.396
  254    H    LYS  30           HN       LYS  30  71.290  10.974   4.165
  255    HA   LYS  30           HA       LYS  30  73.859  12.068   5.152
  256   1HB   LYS  30           HB2      LYS  30  72.148   9.625   5.692
  257   2HB   LYS  30           HB1      LYS  30  73.730   9.843   6.440
  258   1HG   LYS  30           HG2      LYS  30  73.036  11.685   7.693
  259   2HG   LYS  30           HG1      LYS  30  71.705  12.055   6.597
  260   1HD   LYS  30           HD2      LYS  30  70.520  11.082   8.330
  261   2HD   LYS  30           HD1      LYS  30  70.868   9.648   7.362
  262   1HE   LYS  30           HE2      LYS  30  71.891   8.773   9.188
  263   2HE   LYS  30           HE1      LYS  30  73.136  10.026   9.014
  264   1HZ   LYS  30           HZ3      LYS  30  70.524  10.625  10.260
  265   2HZ   LYS  30           HZ2      LYS  30  71.798   9.979  11.180
  266   3HZ   LYS  30           HZ1      LYS  30  71.984  11.477  10.400
  267    H    TYR  31           HN       TYR  31  72.631   9.894   2.753
  268    HA   TYR  31           HA       TYR  31  75.353   8.736   2.302
  269   1HB   TYR  31           HB2      TYR  31  72.558   7.792   2.136
  270   2HB   TYR  31           HB1      TYR  31  73.581   7.289   0.784
  271    HD1  TYR  31           HD1      TYR  31  74.906   8.004   4.146
  272    HD2  TYR  31           HD2      TYR  31  73.664   4.929   1.419
  273    HE1  TYR  31           HE1      TYR  31  75.960   6.297   5.597
  274    HE2  TYR  31           HE2      TYR  31  74.720   3.217   2.869
  275    HH   TYR  31           HH       TYR  31  75.946   2.848   4.684
  276    H    HIS  32           HN       HIS  32  73.835  11.296   1.352
  277    HA   HIS  32           HA       HIS  32  73.495  11.248  -1.451
  278   1HB   HIS  32           HB2      HIS  32  73.561  13.661  -1.070
  279   2HB   HIS  32           HB1      HIS  32  72.792  12.879   0.297
  280    HD1  HIS  32           HD1      HIS  32  74.582  15.614   0.306
  281    HD2  HIS  32           HD2      HIS  32  75.654  11.857   1.760
  282    HE1  HIS  32           HE1      HIS  32  76.402  16.008   2.024
  283    HA   PRO  33           HA       PRO  33  77.492  11.631  -3.191
  284   1HB   PRO  33           HB2      PRO  33  78.459  14.182  -3.479
  285   2HB   PRO  33           HB1      PRO  33  77.221  13.465  -4.530
  286   1HG   PRO  33           HG2      PRO  33  76.912  15.349  -2.259
  287   2HG   PRO  33           HG1      PRO  33  76.021  15.260  -3.785
  288   1HD   PRO  33           HD2      PRO  33  75.081  14.381  -1.416
  289   2HD   PRO  33           HD1      PRO  33  74.552  13.727  -2.979
  290    H    ASP  34           HN       ASP  34  77.580  11.067  -0.549
  291    HA   ASP  34           HA       ASP  34  80.015  12.431   0.530
  292   1HB   ASP  34           HB2      ASP  34  78.829  12.327   2.477
  293   2HB   ASP  34           HB1      ASP  34  77.499  11.574   1.609
  294    H    ARG  35           HN       ARG  35  78.477   9.334  -0.185
  295    HA   ARG  35           HA       ARG  35  81.140   8.097  -0.639
  296   1HB   ARG  35           HB2      ARG  35  80.350   6.151   0.729
  297   2HB   ARG  35           HB1      ARG  35  80.477   7.632   1.684
  298   1HG   ARG  35           HG2      ARG  35  78.353   6.832   2.286
  299   2HG   ARG  35           HG1      ARG  35  77.976   7.981   1.002
  300   1HD   ARG  35           HD2      ARG  35  76.944   6.297  -0.085
  301   2HD   ARG  35           HD1      ARG  35  78.539   5.555  -0.311
  302    HE   ARG  35           HE       ARG  35  76.580   4.781   1.736
  303   1HH1  ARG  35          HH11      ARG  35  79.519   5.475   2.696
  304   2HH1  ARG  35          HH12      ARG  35  80.152   3.868   2.815
  305   1HH2  ARG  35          HH21      ARG  35  77.557   2.422   1.033
  306   2HH2  ARG  35          HH22      ARG  35  79.046   2.144   1.868
  307    H    ASN  36           HN       ASN  36  77.604   8.119  -1.086
  308    HA   ASN  36           HA       ASN  36  77.089   5.856  -2.588
  309   1HB   ASN  36           HB2      ASN  36  76.078   8.538  -2.264
  310   2HB   ASN  36           HB1      ASN  36  75.916   8.045  -3.947
  311   1HD2  ASN  36          HD22      ASN  36  73.864   5.927  -1.077
  312   2HD2  ASN  36          HD21      ASN  36  75.233   6.822  -0.623
  313    H    GLN  37           HN       GLN  37  79.073   8.599  -3.494
  314    HA   GLN  37           HA       GLN  37  79.114   8.063  -6.329
  315   1HB   GLN  37           HB2      GLN  37  81.251   9.421  -4.668
  316   2HB   GLN  37           HB1      GLN  37  80.802   9.762  -6.339
  317   1HG   GLN  37           HG2      GLN  37  78.414  10.089  -4.977
  318   2HG   GLN  37           HG1      GLN  37  79.604  10.748  -3.854
  319   1HE2  GLN  37          HE22      GLN  37  80.683  13.294  -6.239
  320   2HE2  GLN  37          HE21      GLN  37  81.350  12.205  -5.119
  321    H    GLY  38           HN       GLY  38  80.275   6.244  -3.768
  322   1HA   GLY  38           HA2      GLY  38  82.319   4.975  -5.543
  323   2HA   GLY  38           HA1      GLY  38  82.659   5.249  -3.834
  324    H    ASP  39           HN       ASP  39  79.478   4.302  -5.008
  325    HA   ASP  39           HA       ASP  39  79.868   1.660  -3.640
  326   1HB   ASP  39           HB2      ASP  39  77.651   3.682  -3.760
  327   2HB   ASP  39           HB1      ASP  39  77.249   1.987  -3.475
  328    H    LYS  40           HN       LYS  40  80.522   0.642  -5.635
  329    HA   LYS  40           HA       LYS  40  78.671   0.643  -7.936
  330   1HB   LYS  40           HB2      LYS  40  81.436  -0.043  -7.279
  331   2HB   LYS  40           HB1      LYS  40  80.673  -1.224  -8.342
  332   1HG   LYS  40           HG2      LYS  40  80.684   1.770  -8.832
  333   2HG   LYS  40           HG1      LYS  40  81.783   0.627  -9.608
  334   1HD   LYS  40           HD2      LYS  40  80.204  -0.036 -11.079
  335   2HD   LYS  40           HD1      LYS  40  78.997  -0.220  -9.806
  336   1HE   LYS  40           HE2      LYS  40  79.001   2.432  -9.846
  337   2HE   LYS  40           HE1      LYS  40  79.608   2.183 -11.495
  338   1HZ   LYS  40           HZ1      LYS  40  77.708   0.327 -11.379
  339   2HZ   LYS  40           HZ3      LYS  40  77.024   1.492 -10.353
  340   3HZ   LYS  40           HZ2      LYS  40  77.429   1.903 -11.951
  341    H    GLU  41           HN       GLU  41  77.837  -0.507  -5.333
  342    HA   GLU  41           HA       GLU  41  76.767  -3.051  -6.302
  343   1HB   GLU  41           HB2      GLU  41  77.926  -4.003  -4.021
  344   2HB   GLU  41           HB1      GLU  41  78.672  -4.152  -5.611
  345   1HG   GLU  41           HG2      GLU  41  80.062  -2.248  -5.251
  346   2HG   GLU  41           HG1      GLU  41  79.133  -1.746  -3.839
  347    H    ALA  42           HN       ALA  42  77.489  -1.017  -3.473
  348    HA   ALA  42           HA       ALA  42  75.074  -1.778  -2.020
  349   1HB   ALA  42           HB1      ALA  42  77.400   0.041  -1.782
  350   2HB   ALA  42           HB3      ALA  42  75.929   0.632  -1.010
  351   3HB   ALA  42           HB2      ALA  42  76.606  -0.925  -0.538
  352    H    GLU  43           HN       GLU  43  75.852   0.290  -4.660
  353    HA   GLU  43           HA       GLU  43  74.161   2.497  -4.533
  354   1HB   GLU  43           HB2      GLU  43  75.491   1.872  -6.501
  355   2HB   GLU  43           HB1      GLU  43  74.452   0.470  -6.769
  356   1HG   GLU  43           HG2      GLU  43  72.921   1.710  -7.844
  357   2HG   GLU  43           HG1      GLU  43  72.869   2.882  -6.527
  358    H    ALA  44           HN       ALA  44  73.228  -0.747  -5.634
  359    HA   ALA  44           HA       ALA  44  70.581  -0.288  -6.141
  360   1HB   ALA  44           HB1      ALA  44  72.291  -2.553  -5.418
  361   2HB   ALA  44           HB3      ALA  44  70.608  -2.809  -4.957
  362   3HB   ALA  44           HB2      ALA  44  71.020  -2.465  -6.637
  363    H    LYS  45           HN       LYS  45  71.870  -1.334  -2.943
  364    HA   LYS  45           HA       LYS  45  69.415  -1.225  -1.551
  365   1HB   LYS  45           HB2      LYS  45  71.421  -2.084  -0.523
  366   2HB   LYS  45           HB1      LYS  45  72.240  -0.524  -0.698
  367   1HG   LYS  45           HG2      LYS  45  70.462   0.498   0.759
  368   2HG   LYS  45           HG1      LYS  45  69.815  -1.121   1.030
  369   1HD   LYS  45           HD2      LYS  45  71.689  -1.814   2.247
  370   2HD   LYS  45           HD1      LYS  45  72.729  -0.582   1.534
  371   1HE   LYS  45           HE2      LYS  45  71.376   1.168   2.753
  372   2HE   LYS  45           HE1      LYS  45  70.544  -0.155   3.597
  373   1HZ   LYS  45           HZ3      LYS  45  73.488  -0.101   3.443
  374   2HZ   LYS  45           HZ2      LYS  45  72.685   0.809   4.632
  375   3HZ   LYS  45           HZ1      LYS  45  72.494  -0.879   4.575
  376    H    PHE  46           HN       PHE  46  71.412   1.373  -2.781
  377    HA   PHE  46           HA       PHE  46  70.196   3.465  -1.152
  378   1HB   PHE  46           HB2      PHE  46  71.764   3.585  -3.749
  379   2HB   PHE  46           HB1      PHE  46  71.483   4.929  -2.650
  380    HD1  PHE  46           HD1      PHE  46  71.677   2.592  -0.297
  381    HD2  PHE  46           HD2      PHE  46  74.237   4.228  -3.335
  382    HE1  PHE  46           HE1      PHE  46  73.667   1.947   1.032
  383    HE2  PHE  46           HE2      PHE  46  76.224   3.581  -2.006
  384    HZ   PHE  46           HZ       PHE  46  75.938   2.442   0.176
  385    H    LYS  47           HN       LYS  47  69.754   2.288  -4.517
  386    HA   LYS  47           HA       LYS  47  67.449   4.136  -4.796
  387   1HB   LYS  47           HB2      LYS  47  67.349   3.033  -7.111
  388   2HB   LYS  47           HB1      LYS  47  68.810   3.944  -6.760
  389   1HG   LYS  47           HG2      LYS  47  69.474   1.884  -7.804
  390   2HG   LYS  47           HG1      LYS  47  69.911   1.757  -6.109
  391   1HD   LYS  47           HD2      LYS  47  68.619  -0.066  -5.887
  392   2HD   LYS  47           HD1      LYS  47  67.216   0.832  -6.454
  393   1HE   LYS  47           HE2      LYS  47  67.326  -0.717  -8.167
  394   2HE   LYS  47           HE1      LYS  47  68.480   0.462  -8.821
  395   1HZ   LYS  47           HZ1      LYS  47  69.408  -1.531  -6.870
  396   2HZ   LYS  47           HZ3      LYS  47  69.206  -2.004  -8.487
  397   3HZ   LYS  47           HZ2      LYS  47  70.277  -0.742  -8.100
  398    H    GLU  48           HN       GLU  48  68.193   0.834  -4.089
  399    HA   GLU  48           HA       GLU  48  65.817  -0.577  -4.572
  400   1HB   GLU  48           HB2      GLU  48  67.904  -0.506  -2.395
  401   2HB   GLU  48           HB1      GLU  48  66.538  -1.605  -2.244
  402   1HG   GLU  48           HG2      GLU  48  68.193  -1.501  -4.760
  403   2HG   GLU  48           HG1      GLU  48  68.679  -2.497  -3.387
  404    H    ILE  49           HN       ILE  49  66.702   1.714  -2.093
  405    HA   ILE  49           HA       ILE  49  64.419   1.567  -0.398
  406    HB   ILE  49           HB       ILE  49  66.208   3.859  -1.226
  407   1HG1  ILE  49          HG12      ILE  49  66.485   2.351   1.328
  408   2HG1  ILE  49          HG11      ILE  49  67.031   1.568  -0.154
  409   1HG2  ILE  49          HG23      ILE  49  64.062   4.502  -0.068
  410   2HG2  ILE  49          HG22      ILE  49  64.612   3.562   1.319
  411   3HG2  ILE  49          HG21      ILE  49  65.530   4.972   0.788
  412   1HD1  ILE  49          HD11      ILE  49  68.398   3.608  -0.649
  413   2HD1  ILE  49          HD13      ILE  49  67.959   4.233   0.937
  414   3HD1  ILE  49          HD12      ILE  49  68.907   2.752   0.802
  415    H    LYS  50           HN       LYS  50  65.171   3.405  -3.307
  416    HA   LYS  50           HA       LYS  50  62.670   4.865  -3.462
  417   1HB   LYS  50           HB2      LYS  50  65.133   4.955  -4.659
  418   2HB   LYS  50           HB1      LYS  50  64.175   4.213  -5.941
  419   1HG   LYS  50           HG2      LYS  50  62.710   6.400  -4.740
  420   2HG   LYS  50           HG1      LYS  50  64.295   6.952  -5.282
  421   1HD   LYS  50           HD2      LYS  50  63.175   5.190  -7.265
  422   2HD   LYS  50           HD1      LYS  50  62.006   6.454  -6.879
  423   1HE   LYS  50           HE2      LYS  50  64.217   7.987  -7.040
  424   2HE   LYS  50           HE1      LYS  50  64.689   6.693  -8.159
  425   1HZ   LYS  50           HZ2      LYS  50  62.453   6.913  -9.181
  426   2HZ   LYS  50           HZ1      LYS  50  62.186   8.290  -8.224
  427   3HZ   LYS  50           HZ3      LYS  50  63.425   8.290  -9.382
  428    H    GLU  51           HN       GLU  51  63.461   1.602  -3.908
  429    HA   GLU  51           HA       GLU  51  61.372   1.046  -5.941
  430   1HB   GLU  51           HB2      GLU  51  63.641  -0.049  -5.852
  431   2HB   GLU  51           HB1      GLU  51  63.163  -0.784  -4.324
  432   1HG   GLU  51           HG2      GLU  51  62.621  -2.467  -5.861
  433   2HG   GLU  51           HG1      GLU  51  61.083  -1.628  -5.661
  434    H    ALA  52           HN       ALA  52  62.134   0.432  -2.527
  435    HA   ALA  52           HA       ALA  52  60.137  -1.189  -1.556
  436   1HB   ALA  52           HB3      ALA  52  61.958   0.221  -0.398
  437   2HB   ALA  52           HB2      ALA  52  60.795   1.546  -0.405
  438   3HB   ALA  52           HB1      ALA  52  60.438   0.064   0.482
  439    H    TYR  53           HN       TYR  53  59.769   2.082  -2.796
  440    HA   TYR  53           HA       TYR  53  57.125   2.690  -1.970
  441   1HB   TYR  53           HB2      TYR  53  58.667   3.303  -4.513
  442   2HB   TYR  53           HB1      TYR  53  57.185   4.132  -4.036
  443    HD1  TYR  53           HD1      TYR  53  60.706   3.540  -3.207
  444    HD2  TYR  53           HD2      TYR  53  57.150   5.678  -2.168
  445    HE1  TYR  53           HE1      TYR  53  62.032   4.973  -1.722
  446    HE2  TYR  53           HE2      TYR  53  58.470   7.135  -0.673
  447    HH   TYR  53           HH       TYR  53  61.863   6.472   0.011
  448    H    GLU  54           HN       GLU  54  58.320   0.877  -4.794
  449    HA   GLU  54           HA       GLU  54  55.973   0.390  -6.208
  450   1HB   GLU  54           HB2      GLU  54  57.957  -1.770  -5.440
  451   2HB   GLU  54           HB1      GLU  54  57.042  -1.632  -6.943
  452   1HG   GLU  54           HG2      GLU  54  58.456   0.789  -6.638
  453   2HG   GLU  54           HG1      GLU  54  59.596  -0.510  -6.286
  454    H    VAL  55           HN       VAL  55  56.868  -0.701  -2.990
  455    HA   VAL  55           HA       VAL  55  54.407  -2.293  -3.029
  456    HB   VAL  55           HB       VAL  55  55.850  -3.917  -2.364
  457   1HG1  VAL  55          HG13      VAL  55  57.757  -2.308  -2.804
  458   2HG1  VAL  55          HG12      VAL  55  57.738  -2.009  -1.064
  459   3HG1  VAL  55          HG11      VAL  55  58.043  -3.632  -1.680
  460   1HG2  VAL  55          HG21      VAL  55  54.536  -3.217  -0.259
  461   2HG2  VAL  55          HG23      VAL  55  55.962  -4.226  -0.034
  462   3HG2  VAL  55          HG22      VAL  55  56.053  -2.495   0.280
  463    H    LEU  56           HN       LEU  56  56.237  -0.733  -0.379
  464    HA   LEU  56           HA       LEU  56  54.128  -0.341   1.385
  465   1HB   LEU  56           HB2      LEU  56  55.507   1.681   2.131
  466   2HB   LEU  56           HB1      LEU  56  56.353   0.131   2.045
  467    HG   LEU  56           HG       LEU  56  56.552   1.214  -0.532
  468   1HD1  LEU  56          HD11      LEU  56  55.820   3.368   0.595
  469   2HD1  LEU  56          HD13      LEU  56  57.325   3.299   1.511
  470   3HD1  LEU  56          HD12      LEU  56  57.367   3.440  -0.248
  471   1HD2  LEU  56          HD22      LEU  56  58.404   0.947   1.834
  472   2HD2  LEU  56          HD21      LEU  56  58.319  -0.065   0.395
  473   3HD2  LEU  56          HD23      LEU  56  58.978   1.567   0.287
  474    H    THR  57           HN       THR  57  54.585   1.462  -1.605
  475    HA   THR  57           HA       THR  57  52.695   3.551  -0.691
  476    HB   THR  57           HB       THR  57  53.227   4.605  -2.796
  477    HG1  THR  57           HG1      THR  57  54.841   3.066  -4.044
  478   1HG2  THR  57          HG22      THR  57  55.481   3.324  -1.296
  479   2HG2  THR  57          HG21      THR  57  55.852   4.194  -2.784
  480   3HG2  THR  57          HG23      THR  57  55.064   5.032  -1.450
  481    H    ASP  58           HN       ASP  58  52.083   0.546  -1.205
  482    HA   ASP  58           HA       ASP  58  49.470   1.012  -2.494
  483   1HB   ASP  58           HB2      ASP  58  51.745  -0.098  -3.843
  484   2HB   ASP  58           HB1      ASP  58  50.555  -1.379  -3.613
  485    H    SER  59           HN       SER  59  48.026   0.034  -1.301
  486    HA   SER  59           HA       SER  59  48.566  -1.440   0.977
  487   1HB   SER  59           HB2      SER  59  46.304  -0.689  -0.662
  488   2HB   SER  59           HB1      SER  59  46.047  -2.274   0.060
  489    HG   SER  59           HG       SER  59  45.526  -0.201   1.287
  490    H    GLN  60           HN       GLN  60  47.917  -2.690  -2.291
  491    HA   GLN  60           HA       GLN  60  47.662  -5.447  -1.717
  492   1HB   GLN  60           HB2      GLN  60  47.665  -3.846  -3.907
  493   2HB   GLN  60           HB1      GLN  60  49.231  -4.631  -4.104
  494   1HG   GLN  60           HG2      GLN  60  47.167  -6.531  -3.321
  495   2HG   GLN  60           HG1      GLN  60  46.756  -5.700  -4.822
  496   1HE2  GLN  60          HE22      GLN  60  49.975  -6.824  -6.310
  497   2HE2  GLN  60          HE21      GLN  60  49.250  -5.323  -5.996
  498    H    LYS  61           HN       LYS  61  50.601  -3.512  -2.213
  499    HA   LYS  61           HA       LYS  61  52.444  -5.763  -1.986
  500   1HB   LYS  61           HB2      LYS  61  53.002  -2.834  -1.662
  501   2HB   LYS  61           HB1      LYS  61  54.055  -4.092  -2.298
  502   1HG   LYS  61           HG2      LYS  61  51.651  -2.843  -3.602
  503   2HG   LYS  61           HG1      LYS  61  53.290  -2.967  -4.228
  504   1HD   LYS  61           HD2      LYS  61  51.466  -5.344  -3.744
  505   2HD   LYS  61           HD1      LYS  61  51.714  -4.581  -5.314
  506   1HE   LYS  61           HE2      LYS  61  54.206  -5.306  -3.881
  507   2HE   LYS  61           HE1      LYS  61  53.218  -6.675  -4.429
  508   1HZ   LYS  61           HZ3      LYS  61  52.994  -5.372  -6.584
  509   2HZ   LYS  61           HZ2      LYS  61  54.298  -4.433  -6.032
  510   3HZ   LYS  61           HZ1      LYS  61  54.495  -6.101  -6.288
  511    H    ARG  62           HN       ARG  62  51.941  -2.906   0.126
  512    HA   ARG  62           HA       ARG  62  53.537  -3.729   2.262
  513   1HB   ARG  62           HB2      ARG  62  51.926  -2.328   3.621
  514   2HB   ARG  62           HB1      ARG  62  52.462  -1.544   2.133
  515   1HG   ARG  62           HG2      ARG  62  50.420  -1.721   1.136
  516   2HG   ARG  62           HG1      ARG  62  50.058  -3.263   1.909
  517   1HD   ARG  62           HD2      ARG  62  50.212  -1.301   3.978
  518   2HD   ARG  62           HD1      ARG  62  49.169  -0.652   2.698
  519    HE   ARG  62           HE       ARG  62  47.883  -2.800   2.814
  520   1HH1  ARG  62          HH11      ARG  62  50.235  -3.931   4.589
  521   2HH1  ARG  62          HH12      ARG  62  49.397  -4.082   6.098
  522   1HH2  ARG  62          HH21      ARG  62  46.703  -2.140   5.097
  523   2HH2  ARG  62          HH22      ARG  62  47.396  -3.068   6.386
  524    H    ALA  63           HN       ALA  63  50.459  -4.972   1.252
  525    HA   ALA  63           HA       ALA  63  50.088  -6.515   3.753
  526   1HB   ALA  63           HB2      ALA  63  48.583  -5.905   1.236
  527   2HB   ALA  63           HB1      ALA  63  48.181  -7.405   2.072
  528   3HB   ALA  63           HB3      ALA  63  48.025  -5.860   2.909
  529    H    ALA  64           HN       ALA  64  51.382  -6.789   0.557
  530    HA   ALA  64           HA       ALA  64  51.538  -9.743   0.632
  531   1HB   ALA  64           HB1      ALA  64  52.134  -7.524  -1.314
  532   2HB   ALA  64           HB3      ALA  64  52.782  -9.138  -1.603
  533   3HB   ALA  64           HB2      ALA  64  51.038  -8.894  -1.501
  534    H    TYR  65           HN       TYR  65  53.876  -7.009   0.275
  535    HA   TYR  65           HA       TYR  65  56.192  -8.636   0.684
  536   1HB   TYR  65           HB2      TYR  65  55.421  -5.753   0.753
  537   2HB   TYR  65           HB1      TYR  65  57.011  -6.191   1.394
  538    HD1  TYR  65           HD1      TYR  65  55.260  -8.050  -1.284
  539    HD2  TYR  65           HD2      TYR  65  58.352  -5.211  -0.375
  540    HE1  TYR  65           HE1      TYR  65  56.142  -8.273  -3.592
  541    HE2  TYR  65           HE2      TYR  65  59.235  -5.434  -2.681
  542    HH   TYR  65           HH       TYR  65  59.044  -7.513  -4.530
  543    H    ASP  66           HN       ASP  66  53.956  -7.115   2.973
  544    HA   ASP  66           HA       ASP  66  55.425  -6.990   5.335
  545   1HB   ASP  66           HB2      ASP  66  53.257  -7.719   6.420
  546   2HB   ASP  66           HB1      ASP  66  53.066  -6.439   5.229
  547    H    GLN  67           HN       GLN  67  54.167  -9.897   3.725
  548    HA   GLN  67           HA       GLN  67  56.004 -11.545   5.419
  549   1HB   GLN  67           HB2      GLN  67  53.073 -11.494   5.307
  550   2HB   GLN  67           HB1      GLN  67  53.735 -13.103   5.022
  551   1HG   GLN  67           HG2      GLN  67  54.476 -11.323   7.361
  552   2HG   GLN  67           HG1      GLN  67  53.333 -12.663   7.441
  553   1HE2  GLN  67          HE22      GLN  67  57.151 -13.516   7.992
  554   2HE2  GLN  67          HE21      GLN  67  56.433 -12.001   8.253
  555    H    TYR  68           HN       TYR  68  55.955 -10.535   2.548
  556    HA   TYR  68           HA       TYR  68  56.393 -11.409   0.391
  557   1HB   TYR  68           HB2      TYR  68  57.177 -13.636   2.292
  558   2HB   TYR  68           HB1      TYR  68  57.507 -13.708   0.558
  559    HD1  TYR  68           HD2      TYR  68  57.882 -11.318   3.438
  560    HD2  TYR  68           HD1      TYR  68  59.553 -12.901  -0.188
  561    HE1  TYR  68           HE2      TYR  68  59.910  -9.930   3.766
  562    HE2  TYR  68           HE1      TYR  68  61.582 -11.514   0.140
  563    HH   TYR  68           HH       TYR  68  62.220  -9.864   3.093
  564    H    GLY  69           HN       GLY  69  53.676 -11.692   1.503
  565   1HA   GLY  69           HA2      GLY  69  51.746 -12.619   0.402
  566   2HA   GLY  69           HA1      GLY  69  52.766 -13.912  -0.239
  567    H    HIS  70           HN       HIS  70  50.316 -14.440   1.104
  568    HA   HIS  70           HA       HIS  70  50.758 -15.081   3.885
  569   1HB   HIS  70           HB2      HIS  70  48.595 -16.199   3.640
  570   2HB   HIS  70           HB1      HIS  70  48.563 -14.685   2.730
  571    HD1  HIS  70           HD1      HIS  70  47.980 -18.251   2.354
  572    HD2  HIS  70           HD2      HIS  70  49.168 -15.152  -0.171
  573    HE1  HIS  70           HE1      HIS  70  47.623 -19.077  -0.013
  574    H    ALA  71           HN       ALA  71  52.089 -16.420   1.131
  575    HA   ALA  71           HA       ALA  71  51.946 -19.236   1.554
  576   1HB   ALA  71           HB3      ALA  71  53.995 -17.373   0.324
  577   2HB   ALA  71           HB2      ALA  71  54.121 -19.129   0.216
  578   3HB   ALA  71           HB1      ALA  71  52.748 -18.296  -0.512
  579    H    ALA  72           HN       ALA  72  54.236 -16.782   2.770
  580    HA   ALA  72           HA       ALA  72  56.101 -18.464   4.056
  581   1HB   ALA  72           HB3      ALA  72  55.048 -15.691   4.359
  582   2HB   ALA  72           HB2      ALA  72  56.015 -16.323   5.690
  583   3HB   ALA  72           HB1      ALA  72  56.699 -16.236   4.067
  584    H    PHE  73           HN       PHE  73  52.777 -17.867   4.837
  585    HA   PHE  73           HA       PHE  73  53.150 -19.055   7.564
  586   1HB   PHE  73           HB2      PHE  73  51.542 -16.943   6.390
  587   2HB   PHE  73           HB1      PHE  73  50.514 -18.125   7.206
  588    HD1  PHE  73           HD2      PHE  73  53.229 -15.668   7.630
  589    HD2  PHE  73           HD1      PHE  73  50.696 -18.521   9.606
  590    HE1  PHE  73           HE2      PHE  73  53.892 -14.734   9.829
  591    HE2  PHE  73           HE1      PHE  73  51.360 -17.588  11.804
  592    HZ   PHE  73           HZ       PHE  73  52.957 -15.693  11.917
  593    H    GLU  74           HN       GLU  74  52.299 -19.916   4.437
  594    HA   GLU  74           HA       GLU  74  51.020 -21.695   3.529
  595   1HB   GLU  74           HB2      GLU  74  51.715 -22.956   6.192
  596   2HB   GLU  74           HB1      GLU  74  51.586 -23.749   4.621
  597   1HG   GLU  74           HG2      GLU  74  53.476 -21.670   4.301
  598   2HG   GLU  74           HG1      GLU  74  53.884 -22.478   5.815
  599    H    GLN  75           HN       GLN  75  49.429 -19.740   4.972
  600    HA   GLN  75           HA       GLN  75  47.585 -21.034   6.789
  601   1HB   GLN  75           HB2      GLN  75  47.864 -18.469   5.292
  602   2HB   GLN  75           HB1      GLN  75  46.249 -18.880   5.871
  603   1HG   GLN  75           HG2      GLN  75  47.869 -19.484   8.039
  604   2HG   GLN  75           HG1      GLN  75  48.601 -18.019   7.386
  605   1HE2  GLN  75          HE22      GLN  75  44.651 -17.760   8.533
  606   2HE2  GLN  75          HE21      GLN  75  45.210 -19.202   7.834
  607    H    GLY  76           HN       GLY  76  46.343 -22.735   6.045
  608   1HA   GLY  76           HA2      GLY  76  44.705 -22.258   3.613
  609   2HA   GLY  76           HA1      GLY  76  45.667 -23.734   3.689
  610    H    GLY  77           HN       GLY  77  45.339 -24.318   6.449
  611   1HA   GLY  77           HA2      GLY  77  42.592 -25.376   6.370
  612   2HA   GLY  77           HA1      GLY  77  43.827 -25.789   7.560
   
  No H/Q in entry =         612
  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1  71.314 -12.112   3.868
    2   2H    ALA   1           HT3      ALA   1  71.695 -13.432   4.863
    3   3H    ALA   1           HT2      ALA   1  72.154 -13.442   3.228
    4    HA   ALA   1           HA       ALA   1  70.299 -14.679   2.954
    5   1HB   ALA   1           HB2      ALA   1  69.379 -13.281   5.488
    6   2HB   ALA   1           HB1      ALA   1  68.497 -14.584   4.693
    7   3HB   ALA   1           HB3      ALA   1  70.090 -14.891   5.384
    8    H    LYS   2           HN       LYS   2  70.391 -12.926   1.154
    9    HA   LYS   2           HA       LYS   2  69.267 -11.329  -0.185
   10   1HB   LYS   2           HB2      LYS   2  67.042 -12.647   1.402
   11   2HB   LYS   2           HB1      LYS   2  66.770 -11.643  -0.023
   12   1HG   LYS   2           HG2      LYS   2  67.104 -13.460  -1.307
   13   2HG   LYS   2           HG1      LYS   2  68.777 -13.496  -0.747
   14   1HD   LYS   2           HD2      LYS   2  68.375 -15.372   0.425
   15   2HD   LYS   2           HD1      LYS   2  67.082 -14.565   1.313
   16   1HE   LYS   2           HE2      LYS   2  66.515 -15.473  -1.491
   17   2HE   LYS   2           HE1      LYS   2  66.530 -16.680  -0.191
   18   1HZ   LYS   2           HZ1      LYS   2  65.111 -15.093   1.099
   19   2HZ   LYS   2           HZ3      LYS   2  64.925 -14.188  -0.323
   20   3HZ   LYS   2           HZ2      LYS   2  64.351 -15.785  -0.253
   21    H    GLN   3           HN       GLN   3  67.184  -9.633   0.221
   22    HA   GLN   3           HA       GLN   3  67.856  -8.158   2.749
   23   1HB   GLN   3           HB2      GLN   3  67.554  -7.245  -0.119
   24   2HB   GLN   3           HB1      GLN   3  67.453  -6.112   1.228
   25   1HG   GLN   3           HG2      GLN   3  69.701  -7.136   1.999
   26   2HG   GLN   3           HG1      GLN   3  69.803  -7.791   0.364
   27   1HE2  GLN   3          HE22      GLN   3  69.778  -4.348  -1.039
   28   2HE2  GLN   3          HE21      GLN   3  68.848  -5.754  -1.236
   29    H    ASP   4           HN       ASP   4  66.032  -6.163   2.645
   30    HA   ASP   4           HA       ASP   4  63.360  -7.177   1.927
   31   1HB   ASP   4           HB2      ASP   4  63.203  -6.434   4.690
   32   2HB   ASP   4           HB1      ASP   4  62.834  -7.996   3.970
   33    H    TYR   5           HN       TYR   5  62.925  -5.429   0.798
   34    HA   TYR   5           HA       TYR   5  63.509  -2.799   0.922
   35   1HB   TYR   5           HB2      TYR   5  60.669  -2.863   0.744
   36   2HB   TYR   5           HB1      TYR   5  61.853  -2.752  -0.550
   37    HD1  TYR   5           HD1      TYR   5  60.394  -5.337   1.738
   38    HD2  TYR   5           HD2      TYR   5  61.923  -4.382  -2.153
   39    HE1  TYR   5           HE1      TYR   5  59.847  -7.626   0.969
   40    HE2  TYR   5           HE2      TYR   5  61.368  -6.673  -2.936
   41    HH   TYR   5           HH       TYR   5  60.972  -9.159  -1.197
   42    H    TYR   6           HN       TYR   6  60.639  -3.892   2.781
   43    HA   TYR   6           HA       TYR   6  60.244  -1.630   4.336
   44   1HB   TYR   6           HB2      TYR   6  59.991  -4.578   4.841
   45   2HB   TYR   6           HB1      TYR   6  59.507  -3.403   6.070
   46    HD1  TYR   6           HD2      TYR   6  58.011  -1.430   5.257
   47    HD2  TYR   6           HD1      TYR   6  58.475  -5.132   3.130
   48    HE1  TYR   6           HE2      TYR   6  55.898  -0.994   4.040
   49    HE2  TYR   6           HE1      TYR   6  56.358  -4.694   1.910
   50    HH   TYR   6           HH       TYR   6  54.907  -2.932   1.345
   51    H    GLU   7           HN       GLU   7  62.738  -4.068   4.583
   52    HA   GLU   7           HA       GLU   7  63.887  -2.881   7.053
   53   1HB   GLU   7           HB2      GLU   7  63.762  -5.362   6.587
   54   2HB   GLU   7           HB1      GLU   7  64.870  -5.114   5.237
   55   1HG   GLU   7           HG2      GLU   7  66.660  -4.563   6.632
   56   2HG   GLU   7           HG1      GLU   7  65.603  -4.088   7.963
   57    H    ILE   8           HN       ILE   8  64.347  -3.031   3.573
   58    HA   ILE   8           HA       ILE   8  66.947  -2.104   3.200
   59    HB   ILE   8           HB       ILE   8  64.361  -1.567   1.786
   60   1HG1  ILE   8          HG12      ILE   8  65.401  -3.911   1.926
   61   2HG1  ILE   8          HG11      ILE   8  65.111  -3.314   0.294
   62   1HG2  ILE   8          HG22      ILE   8  67.134  -0.625   1.176
   63   2HG2  ILE   8          HG21      ILE   8  66.049  -1.039  -0.152
   64   3HG2  ILE   8          HG23      ILE   8  65.599   0.224   0.993
   65   1HD1  ILE   8          HD13      ILE   8  67.688  -2.407   1.063
   66   2HD1  ILE   8          HD12      ILE   8  67.589  -4.115   1.485
   67   3HD1  ILE   8          HD11      ILE   8  67.282  -3.598  -0.172
   68    H    LEU   9           HN       LEU   9  63.974  -0.238   3.637
   69    HA   LEU   9           HA       LEU   9  65.341   2.369   3.800
   70   1HB   LEU   9           HB2      LEU   9  62.521   1.536   4.539
   71   2HB   LEU   9           HB1      LEU   9  63.057   3.142   4.044
   72    HG   LEU   9           HG       LEU   9  63.823   1.199   2.064
   73   1HD1  LEU   9          HD11      LEU   9  61.338   0.618   3.340
   74   2HD1  LEU   9          HD13      LEU   9  60.986   1.259   1.736
   75   3HD1  LEU   9          HD12      LEU   9  62.034  -0.148   1.912
   76   1HD2  LEU   9          HD23      LEU   9  63.509   3.686   1.811
   77   2HD2  LEU   9          HD22      LEU   9  62.656   2.740   0.591
   78   3HD2  LEU   9          HD21      LEU   9  61.770   3.430   1.951
   79    H    GLY  10           HN       GLY  10  64.478  -0.231   5.912
   80   1HA   GLY  10           HA2      GLY  10  65.358  -0.444   8.147
   81   2HA   GLY  10           HA1      GLY  10  65.483   1.316   8.234
   82    H    VAL  11           HN       VAL  11  62.590   0.033   6.868
   83    HA   VAL  11           HA       VAL  11  61.110   0.916   9.317
   84    HB   VAL  11           HB       VAL  11  59.455   0.300   7.034
   85   1HG1  VAL  11          HG11      VAL  11  60.172   2.803   8.563
   86   2HG1  VAL  11          HG13      VAL  11  58.962   2.774   7.279
   87   3HG1  VAL  11          HG12      VAL  11  58.726   1.806   8.735
   88   1HG2  VAL  11          HG23      VAL  11  61.909   1.939   6.499
   89   2HG2  VAL  11          HG22      VAL  11  61.121   0.738   5.473
   90   3HG2  VAL  11          HG21      VAL  11  60.388   2.324   5.698
   91    H    SER  12           HN       SER  12  58.873  -0.318   9.413
   92    HA   SER  12           HA       SER  12  59.487  -3.156   9.836
   93   1HB   SER  12           HB2      SER  12  57.372  -3.133  10.984
   94   2HB   SER  12           HB1      SER  12  58.157  -1.601  11.357
   95    HG   SER  12           HG       SER  12  56.326  -0.832  10.628
   96    H    LYS  13           HN       LYS  13  58.329  -4.880   8.766
   97    HA   LYS  13           HA       LYS  13  57.984  -4.666   6.003
   98   1HB   LYS  13           HB2      LYS  13  56.880  -6.789   6.180
   99   2HB   LYS  13           HB1      LYS  13  58.171  -6.714   7.379
  100   1HG   LYS  13           HG2      LYS  13  55.797  -5.622   8.555
  101   2HG   LYS  13           HG1      LYS  13  55.388  -7.177   7.830
  102   1HD   LYS  13           HD2      LYS  13  57.656  -6.660   9.777
  103   2HD   LYS  13           HD1      LYS  13  56.152  -7.507  10.137
  104   1HE   LYS  13           HE2      LYS  13  56.871  -9.438   9.152
  105   2HE   LYS  13           HE1      LYS  13  57.615  -8.569   7.794
  106   1HZ   LYS  13           HZ1      LYS  13  59.246  -7.736   9.582
  107   2HZ   LYS  13           HZ3      LYS  13  58.707  -9.061  10.493
  108   3HZ   LYS  13           HZ2      LYS  13  59.444  -9.312   8.983
  109    H    THR  14           HN       THR  14  55.904  -3.574   8.517
  110    HA   THR  14           HA       THR  14  53.716  -3.081   6.533
  111    HB   THR  14           HB       THR  14  52.215  -3.349   8.353
  112    HG1  THR  14           HG1      THR  14  54.506  -2.802   9.897
  113   1HG2  THR  14          HG21      THR  14  54.075  -5.330   7.787
  114   2HG2  THR  14          HG23      THR  14  54.099  -5.243   9.549
  115   3HG2  THR  14          HG22      THR  14  52.584  -5.555   8.702
  116    H    ALA  15           HN       ALA  15  56.299  -1.549   7.633
  117    HA   ALA  15           HA       ALA  15  55.947   0.741   9.012
  118   1HB   ALA  15           HB1      ALA  15  57.188   0.216   6.345
  119   2HB   ALA  15           HB3      ALA  15  57.371   1.773   7.153
  120   3HB   ALA  15           HB2      ALA  15  57.953   0.305   7.931
  121    H    GLU  16           HN       GLU  16  56.027   2.128   6.010
  122    HA   GLU  16           HA       GLU  16  53.413   2.610   5.180
  123   1HB   GLU  16           HB2      GLU  16  54.058   3.670   7.797
  124   2HB   GLU  16           HB1      GLU  16  53.659   4.989   6.689
  125   1HG   GLU  16           HG2      GLU  16  51.571   3.897   6.079
  126   2HG   GLU  16           HG1      GLU  16  51.974   2.503   7.080
  127    H    GLU  17           HN       GLU  17  53.427   4.125   3.512
  128    HA   GLU  17           HA       GLU  17  55.747   4.812   2.149
  129   1HB   GLU  17           HB2      GLU  17  54.314   6.098   0.802
  130   2HB   GLU  17           HB1      GLU  17  53.209   4.964   1.577
  131   1HG   GLU  17           HG2      GLU  17  52.553   6.628   3.214
  132   2HG   GLU  17           HG1      GLU  17  53.782   7.750   2.630
  133    H    ARG  18           HN       ARG  18  54.439   6.469   4.958
  134    HA   ARG  18           HA       ARG  18  56.064   8.882   4.471
  135   1HB   ARG  18           HB2      ARG  18  55.060   9.484   6.744
  136   2HB   ARG  18           HB1      ARG  18  53.900   9.180   5.450
  137   1HG   ARG  18           HG2      ARG  18  53.042   7.377   6.510
  138   2HG   ARG  18           HG1      ARG  18  54.644   6.736   6.870
  139   1HD   ARG  18           HD2      ARG  18  54.833   8.044   8.864
  140   2HD   ARG  18           HD1      ARG  18  53.440   9.050   8.418
  141    HE   ARG  18           HE       ARG  18  52.655   6.290   8.467
  142   1HH1  ARG  18          HH21      ARG  18  54.054   8.421  10.731
  143   2HH1  ARG  18          HH22      ARG  18  52.886   8.110  11.972
  144   1HH2  ARG  18          HH11      ARG  18  50.901   6.094   9.965
  145   2HH2  ARG  18          HH12      ARG  18  51.099   6.794  11.537
  146    H    GLU  19           HN       GLU  19  56.393   5.920   6.234
  147    HA   GLU  19           HA       GLU  19  58.698   6.992   7.776
  148   1HB   GLU  19           HB2      GLU  19  58.261   4.196   8.238
  149   2HB   GLU  19           HB1      GLU  19  57.970   5.527   9.347
  150   1HG   GLU  19           HG2      GLU  19  55.723   5.836   8.137
  151   2HG   GLU  19           HG1      GLU  19  56.031   4.258   7.407
  152    H    ILE  20           HN       ILE  20  57.829   5.198   4.988
  153    HA   ILE  20           HA       ILE  20  60.461   3.881   4.719
  154    HB   ILE  20           HB       ILE  20  57.792   3.490   3.824
  155   1HG1  ILE  20          HG12      ILE  20  59.352   1.592   2.552
  156   2HG1  ILE  20          HG11      ILE  20  60.373   2.111   3.888
  157   1HG2  ILE  20          HG21      ILE  20  59.712   4.146   1.591
  158   2HG2  ILE  20          HG23      ILE  20  58.355   3.050   1.353
  159   3HG2  ILE  20          HG22      ILE  20  58.063   4.723   1.817
  160   1HD1  ILE  20          HD11      ILE  20  57.467   1.320   4.219
  161   2HD1  ILE  20          HD13      ILE  20  58.814   0.206   4.457
  162   3HD1  ILE  20          HD12      ILE  20  58.643   1.620   5.499
  163    H    ARG  21           HN       ARG  21  58.505   6.224   2.823
  164    HA   ARG  21           HA       ARG  21  60.561   7.101   1.074
  165   1HB   ARG  21           HB2      ARG  21  59.120   9.028   0.793
  166   2HB   ARG  21           HB1      ARG  21  58.052   7.669   1.143
  167   1HG   ARG  21           HG2      ARG  21  57.245   9.309   2.606
  168   2HG   ARG  21           HG1      ARG  21  58.356   8.408   3.638
  169   1HD   ARG  21           HD2      ARG  21  59.670  10.233   3.924
  170   2HD   ARG  21           HD1      ARG  21  59.743  10.515   2.175
  171    HE   ARG  21           HE       ARG  21  57.457  11.582   2.404
  172   1HH1  ARG  21          HH21      ARG  21  56.441  11.182   4.972
  173   2HH1  ARG  21          HH22      ARG  21  57.075  12.466   5.947
  174   1HH2  ARG  21          HH11      ARG  21  59.623  13.250   3.728
  175   2HH2  ARG  21          HH12      ARG  21  58.879  13.633   5.245
  176    H    LYS  22           HN       LYS  22  59.893   7.630   4.422
  177    HA   LYS  22           HA       LYS  22  61.670   9.881   4.870
  178   1HB   LYS  22           HB2      LYS  22  59.780   9.612   6.287
  179   2HB   LYS  22           HB1      LYS  22  60.083   7.888   6.498
  180   1HG   LYS  22           HG2      LYS  22  60.709   9.401   8.476
  181   2HG   LYS  22           HG1      LYS  22  61.950   8.278   7.923
  182   1HD   LYS  22           HD2      LYS  22  63.106  10.323   8.156
  183   2HD   LYS  22           HD1      LYS  22  62.772  10.238   6.430
  184   1HE   LYS  22           HE2      LYS  22  61.019  11.821   6.564
  185   2HE   LYS  22           HE1      LYS  22  60.855  11.617   8.320
  186   1HZ   LYS  22           HZ2      LYS  22  63.428  12.465   7.163
  187   2HZ   LYS  22           HZ1      LYS  22  62.203  13.615   7.422
  188   3HZ   LYS  22           HZ3      LYS  22  62.820  12.726   8.727
  189    H    ALA  23           HN       ALA  23  61.811   6.382   5.626
  190    HA   ALA  23           HA       ALA  23  64.275   6.271   6.965
  191   1HB   ALA  23           HB1      ALA  23  62.417   4.533   5.619
  192   2HB   ALA  23           HB3      ALA  23  64.064   4.041   5.229
  193   3HB   ALA  23           HB2      ALA  23  63.548   4.135   6.913
  194    H    TYR  24           HN       TYR  24  63.634   6.178   3.474
  195    HA   TYR  24           HA       TYR  24  66.401   5.925   2.675
  196   1HB   TYR  24           HB2      TYR  24  64.403   5.272   1.332
  197   2HB   TYR  24           HB1      TYR  24  63.920   6.962   1.247
  198    HD1  TYR  24           HD2      TYR  24  67.300   5.370   0.945
  199    HD2  TYR  24           HD1      TYR  24  64.216   7.674  -0.961
  200    HE1  TYR  24           HE2      TYR  24  68.775   5.724  -1.017
  201    HE2  TYR  24           HE1      TYR  24  65.692   8.027  -2.922
  202    HH   TYR  24           HH       TYR  24  68.116   8.030  -3.416
  203    H    LYS  25           HN       LYS  25  64.038   8.552   2.822
  204    HA   LYS  25           HA       LYS  25  65.488  10.768   1.992
  205   1HB   LYS  25           HB2      LYS  25  63.210  10.039   3.571
  206   2HB   LYS  25           HB1      LYS  25  64.033  11.386   4.354
  207   1HG   LYS  25           HG2      LYS  25  63.332  12.833   2.769
  208   2HG   LYS  25           HG1      LYS  25  63.901  11.772   1.476
  209   1HD   LYS  25           HD2      LYS  25  61.863  10.759   1.218
  210   2HD   LYS  25           HD1      LYS  25  61.464  10.896   2.931
  211   1HE   LYS  25           HE2      LYS  25  60.003  12.393   1.640
  212   2HE   LYS  25           HE1      LYS  25  61.133  13.372   2.596
  213   1HZ   LYS  25           HZ2      LYS  25  61.600  12.511  -0.210
  214   2HZ   LYS  25           HZ1      LYS  25  61.057  14.056   0.244
  215   3HZ   LYS  25           HZ3      LYS  25  62.598  13.527   0.715
  216    H    ARG  26           HN       ARG  26  65.401   9.381   5.284
  217    HA   ARG  26           HA       ARG  26  67.146  11.205   6.554
  218   1HB   ARG  26           HB2      ARG  26  66.519   8.275   6.975
  219   2HB   ARG  26           HB1      ARG  26  67.433   9.240   8.136
  220   1HG   ARG  26           HG2      ARG  26  64.684  10.007   7.123
  221   2HG   ARG  26           HG1      ARG  26  64.958   9.118   8.621
  222   1HD   ARG  26           HD2      ARG  26  66.719  11.377   8.616
  223   2HD   ARG  26           HD1      ARG  26  65.082  11.944   8.232
  224    HE   ARG  26           HE       ARG  26  64.487  10.302  10.255
  225   1HH1  ARG  26          HH11      ARG  26  66.396   9.754  11.928
  226   2HH1  ARG  26          HH12      ARG  26  66.934  11.195  12.725
  227   1HH2  ARG  26          HH21      ARG  26  65.515  13.335  10.390
  228   2HH2  ARG  26          HH22      ARG  26  66.429  13.222  11.857
  229    H    LEU  27           HN       LEU  27  67.971   7.998   5.153
  230    HA   LEU  27           HA       LEU  27  70.835   8.444   5.531
  231   1HB   LEU  27           HB2      LEU  27  71.006   6.220   4.761
  232   2HB   LEU  27           HB1      LEU  27  69.423   6.254   5.539
  233    HG   LEU  27           HG       LEU  27  68.627   6.941   3.104
  234   1HD1  LEU  27          HD13      LEU  27  71.347   5.735   2.756
  235   2HD1  LEU  27          HD12      LEU  27  70.096   5.370   1.567
  236   3HD1  LEU  27          HD11      LEU  27  70.582   7.042   1.852
  237   1HD2  LEU  27          HD21      LEU  27  68.241   4.803   4.586
  238   2HD2  LEU  27          HD23      LEU  27  67.881   4.738   2.861
  239   3HD2  LEU  27          HD22      LEU  27  69.389   4.058   3.473
  240    H    ALA  28           HN       ALA  28  68.491   8.710   2.949
  241    HA   ALA  28           HA       ALA  28  70.402   9.072   0.808
  242   1HB   ALA  28           HB2      ALA  28  68.054   8.203   0.656
  243   2HB   ALA  28           HB1      ALA  28  67.472   9.817   1.062
  244   3HB   ALA  28           HB3      ALA  28  68.356   9.551  -0.441
  245    H    MET  29           HN       MET  29  68.365  11.296   2.758
  246    HA   MET  29           HA       MET  29  69.254  13.689   1.451
  247   1HB   MET  29           HB2      MET  29  68.313  14.788   3.370
  248   2HB   MET  29           HB1      MET  29  67.346  13.332   3.143
  249   1HG   MET  29           HG2      MET  29  68.855  12.178   4.807
  250   2HG   MET  29           HG1      MET  29  69.591  13.745   5.134
  251   1HE   MET  29           HE1      MET  29  69.329  14.681   6.778
  252   2HE   MET  29           HE3      MET  29  67.884  15.613   7.195
  253   3HE   MET  29           HE2      MET  29  68.280  14.147   8.089
  254    H    LYS  30           HN       LYS  30  70.666  11.515   3.753
  255    HA   LYS  30           HA       LYS  30  72.918  13.314   4.417
  256   1HB   LYS  30           HB2      LYS  30  71.743  10.744   5.304
  257   2HB   LYS  30           HB1      LYS  30  73.501  10.821   5.403
  258   1HG   LYS  30           HG2      LYS  30  73.467  12.355   7.083
  259   2HG   LYS  30           HG1      LYS  30  72.107  13.234   6.383
  260   1HD   LYS  30           HD2      LYS  30  70.706  12.235   7.830
  261   2HD   LYS  30           HD1      LYS  30  71.175  10.654   7.202
  262   1HE   LYS  30           HE2      LYS  30  72.817  12.159   9.265
  263   2HE   LYS  30           HE1      LYS  30  71.597  10.941   9.687
  264   1HZ   LYS  30           HZ3      LYS  30  73.840  10.494   7.789
  265   2HZ   LYS  30           HZ2      LYS  30  73.843   9.984   9.410
  266   3HZ   LYS  30           HZ1      LYS  30  72.716   9.338   8.314
  267    H    TYR  31           HN       TYR  31  72.056  10.826   2.151
  268    HA   TYR  31           HA       TYR  31  74.905  10.429   1.353
  269   1HB   TYR  31           HB2      TYR  31  72.369   8.904   1.246
  270   2HB   TYR  31           HB1      TYR  31  73.419   8.722  -0.162
  271    HD1  TYR  31           HD2      TYR  31  74.306   9.340   3.410
  272    HD2  TYR  31           HD1      TYR  31  74.444   6.611   0.099
  273    HE1  TYR  31           HE2      TYR  31  75.792   7.844   4.712
  274    HE2  TYR  31           HE1      TYR  31  75.933   5.113   1.397
  275    HH   TYR  31           HH       TYR  31  77.017   5.990   4.680
  276    H    HIS  32           HN       HIS  32  72.632  12.551   0.720
  277    HA   HIS  32           HA       HIS  32  72.167  12.697  -2.054
  278   1HB   HIS  32           HB2      HIS  32  71.610  14.986  -1.401
  279   2HB   HIS  32           HB1      HIS  32  71.180  13.898  -0.097
  280    HD1  HIS  32           HD1      HIS  32  72.343  17.029  -0.028
  281    HD2  HIS  32           HD2      HIS  32  74.168  13.512   1.261
  282    HE1  HIS  32           HE1      HIS  32  74.075  17.713   1.687
  283    HA   PRO  33           HA       PRO  33  75.800  14.345  -3.866
  284   1HB   PRO  33           HB2      PRO  33  76.005  17.082  -3.911
  285   2HB   PRO  33           HB1      PRO  33  74.951  16.147  -4.993
  286   1HG   PRO  33           HG2      PRO  33  74.274  17.645  -2.526
  287   2HG   PRO  33           HG1      PRO  33  73.353  17.456  -4.024
  288   1HD   PRO  33           HD2      PRO  33  72.832  16.127  -1.737
  289   2HD   PRO  33           HD1      PRO  33  72.412  15.504  -3.345
  290    H    ASP  34           HN       ASP  34  76.203  13.567  -1.327
  291    HA   ASP  34           HA       ASP  34  78.216  15.449  -0.161
  292   1HB   ASP  34           HB2      ASP  34  77.187  14.844   1.784
  293   2HB   ASP  34           HB1      ASP  34  76.095  13.804   0.877
  294    H    ARG  35           HN       ARG  35  77.548  12.108  -1.102
  295    HA   ARG  35           HA       ARG  35  80.439  11.694  -1.705
  296   1HB   ARG  35           HB2      ARG  35  80.200   9.458  -0.623
  297   2HB   ARG  35           HB1      ARG  35  79.903  10.770   0.519
  298   1HG   ARG  35           HG2      ARG  35  78.095   9.303   0.903
  299   2HG   ARG  35           HG1      ARG  35  77.410  10.516  -0.178
  300   1HD   ARG  35           HD2      ARG  35  76.881   8.868  -1.620
  301   2HD   ARG  35           HD1      ARG  35  78.612   8.534  -1.821
  302    HE   ARG  35           HE       ARG  35  76.870   7.226   0.220
  303   1HH1  ARG  35          HH21      ARG  35  79.030   6.660   1.616
  304   2HH1  ARG  35          HH22      ARG  35  80.006   5.527   0.743
  305   1HH2  ARG  35          HH11      ARG  35  78.456   6.140  -2.300
  306   2HH2  ARG  35          HH12      ARG  35  79.683   5.233  -1.480
  307    H    ASN  36           HN       ASN  36  77.024  10.941  -2.272
  308    HA   ASN  36           HA       ASN  36  77.050   8.809  -4.022
  309   1HB   ASN  36           HB2      ASN  36  75.499  11.278  -3.585
  310   2HB   ASN  36           HB1      ASN  36  75.295  10.567  -5.186
  311   1HD2  ASN  36          HD22      ASN  36  72.833   8.920  -2.920
  312   2HD2  ASN  36          HD21      ASN  36  73.094  10.504  -3.470
  313    H    GLN  37           HN       GLN  37  78.423  11.979  -4.581
  314    HA   GLN  37           HA       GLN  37  78.492  11.938  -7.443
  315   1HB   GLN  37           HB2      GLN  37  80.597  13.115  -5.615
  316   2HB   GLN  37           HB1      GLN  37  80.037  13.740  -7.166
  317   1HG   GLN  37           HG2      GLN  37  77.718  13.584  -5.616
  318   2HG   GLN  37           HG1      GLN  37  78.946  14.183  -4.501
  319   1HE2  GLN  37          HE22      GLN  37  77.527  16.621  -7.395
  320   2HE2  GLN  37          HE21      GLN  37  76.904  15.060  -7.154
  321    H    GLY  38           HN       GLY  38  80.104  10.053  -5.102
  322   1HA   GLY  38           HA2      GLY  38  81.861   8.921  -7.229
  323   2HA   GLY  38           HA1      GLY  38  82.537   9.281  -5.637
  324    H    ASP  39           HN       ASP  39  79.249   8.230  -5.902
  325    HA   ASP  39           HA       ASP  39  79.190   6.251  -4.014
  326   1HB   ASP  39           HB2      ASP  39  77.463   5.166  -5.615
  327   2HB   ASP  39           HB1      ASP  39  77.193   6.838  -5.127
  328    H    LYS  40           HN       LYS  40  80.606   4.595  -3.694
  329    HA   LYS  40           HA       LYS  40  81.942   3.254  -5.954
  330   1HB   LYS  40           HB2      LYS  40  82.631   3.961  -3.382
  331   2HB   LYS  40           HB1      LYS  40  82.287   2.239  -3.213
  332   1HG   LYS  40           HG2      LYS  40  84.110   1.633  -4.421
  333   2HG   LYS  40           HG1      LYS  40  83.857   2.912  -5.609
  334   1HD   LYS  40           HD2      LYS  40  84.742   3.716  -2.872
  335   2HD   LYS  40           HD1      LYS  40  85.935   2.968  -3.936
  336   1HE   LYS  40           HE2      LYS  40  84.250   5.087  -5.175
  337   2HE   LYS  40           HE1      LYS  40  85.439   5.629  -3.973
  338   1HZ   LYS  40           HZ2      LYS  40  86.338   3.578  -5.825
  339   2HZ   LYS  40           HZ1      LYS  40  86.075   5.111  -6.507
  340   3HZ   LYS  40           HZ3      LYS  40  87.167   4.934  -5.222
  341    H    GLU  41           HN       GLU  41  80.317   2.064  -6.928
  342    HA   GLU  41           HA       GLU  41  78.803   0.332  -7.318
  343   1HB   GLU  41           HB2      GLU  41  79.505  -1.796  -6.394
  344   2HB   GLU  41           HB1      GLU  41  80.926  -0.837  -6.797
  345   1HG   GLU  41           HG2      GLU  41  81.378  -0.343  -4.546
  346   2HG   GLU  41           HG1      GLU  41  79.757  -0.796  -4.026
  347    H    ALA  42           HN       ALA  42  79.055   0.865  -3.743
  348    HA   ALA  42           HA       ALA  42  76.635  -0.359  -2.979
  349   1HB   ALA  42           HB2      ALA  42  78.273   1.994  -2.058
  350   2HB   ALA  42           HB1      ALA  42  76.739   1.644  -1.262
  351   3HB   ALA  42           HB3      ALA  42  78.026   0.439  -1.262
  352    H    GLU  43           HN       GLU  43  77.209   2.395  -4.953
  353    HA   GLU  43           HA       GLU  43  75.211   4.224  -4.756
  354   1HB   GLU  43           HB2      GLU  43  76.758   3.862  -6.706
  355   2HB   GLU  43           HB1      GLU  43  75.683   2.576  -7.252
  356   1HG   GLU  43           HG2      GLU  43  74.058   4.021  -7.935
  357   2HG   GLU  43           HG1      GLU  43  74.388   5.174  -6.642
  358    H    ALA  44           HN       ALA  44  74.649   1.197  -6.530
  359    HA   ALA  44           HA       ALA  44  71.960   1.451  -6.939
  360   1HB   ALA  44           HB2      ALA  44  73.935  -0.561  -7.068
  361   2HB   ALA  44           HB1      ALA  44  72.586  -1.274  -6.184
  362   3HB   ALA  44           HB3      ALA  44  72.330  -0.610  -7.797
  363    H    LYS  45           HN       LYS  45  73.493   0.200  -3.949
  364    HA   LYS  45           HA       LYS  45  71.091  -0.544  -2.635
  365   1HB   LYS  45           HB2      LYS  45  73.199  -1.097  -1.654
  366   2HB   LYS  45           HB1      LYS  45  73.721   0.594  -1.656
  367   1HG   LYS  45           HG2      LYS  45  72.089   1.183   0.013
  368   2HG   LYS  45           HG1      LYS  45  71.305  -0.392  -0.116
  369   1HD   LYS  45           HD2      LYS  45  74.084  -0.820   0.439
  370   2HD   LYS  45           HD1      LYS  45  73.461   0.351   1.602
  371   1HE   LYS  45           HE2      LYS  45  71.742  -2.026   1.044
  372   2HE   LYS  45           HE1      LYS  45  73.206  -2.290   2.013
  373   1HZ   LYS  45           HZ1      LYS  45  71.714   0.116   2.636
  374   2HZ   LYS  45           HZ3      LYS  45  70.920  -1.332   3.023
  375   3HZ   LYS  45           HZ2      LYS  45  72.453  -1.003   3.678
  376    H    PHE  46           HN       PHE  46  72.310   2.572  -3.544
  377    HA   PHE  46           HA       PHE  46  70.841   4.110  -1.559
  378   1HB   PHE  46           HB2      PHE  46  72.040   4.851  -4.249
  379   2HB   PHE  46           HB1      PHE  46  71.487   6.003  -3.040
  380    HD1  PHE  46           HD2      PHE  46  72.552   3.618  -0.935
  381    HD2  PHE  46           HD1      PHE  46  74.233   6.241  -3.894
  382    HE1  PHE  46           HE2      PHE  46  74.752   3.497   0.205
  383    HE2  PHE  46           HE1      PHE  46  76.429   6.120  -2.752
  384    HZ   PHE  46           HZ       PHE  46  76.690   4.749  -0.704
  385    H    LYS  47           HN       LYS  47  70.263   3.486  -5.088
  386    HA   LYS  47           HA       LYS  47  67.527   4.577  -4.641
  387   1HB   LYS  47           HB2      LYS  47  67.427   3.786  -7.208
  388   2HB   LYS  47           HB1      LYS  47  68.162   5.310  -6.735
  389   1HG   LYS  47           HG2      LYS  47  69.590   4.039  -8.301
  390   2HG   LYS  47           HG1      LYS  47  70.378   4.267  -6.741
  391   1HD   LYS  47           HD2      LYS  47  70.441   2.065  -6.360
  392   2HD   LYS  47           HD1      LYS  47  68.752   1.858  -6.782
  393   1HE   LYS  47           HE2      LYS  47  70.513   2.389  -9.095
  394   2HE   LYS  47           HE1      LYS  47  70.809   0.842  -8.277
  395   1HZ   LYS  47           HZ1      LYS  47  68.336   0.546  -8.263
  396   2HZ   LYS  47           HZ3      LYS  47  68.227   1.870  -9.315
  397   3HZ   LYS  47           HZ2      LYS  47  69.052   0.467  -9.801
  398    H    GLU  48           HN       GLU  48  69.198   1.597  -4.626
  399    HA   GLU  48           HA       GLU  48  67.246  -0.312  -5.370
  400   1HB   GLU  48           HB2      GLU  48  69.420  -0.085  -3.298
  401   2HB   GLU  48           HB1      GLU  48  68.358  -1.489  -3.256
  402   1HG   GLU  48           HG2      GLU  48  69.458  -0.771  -5.911
  403   2HG   GLU  48           HG1      GLU  48  70.619  -1.384  -4.734
  404    H    ILE  49           HN       ILE  49  67.690   1.718  -2.579
  405    HA   ILE  49           HA       ILE  49  65.615   0.667  -0.892
  406    HB   ILE  49           HB       ILE  49  66.770   3.451  -1.157
  407   1HG1  ILE  49          HG12      ILE  49  67.720   1.420   0.819
  408   2HG1  ILE  49          HG11      ILE  49  68.275   1.294  -0.849
  409   1HG2  ILE  49          HG21      ILE  49  64.663   2.756   0.364
  410   2HG2  ILE  49          HG23      ILE  49  65.971   2.303   1.457
  411   3HG2  ILE  49          HG22      ILE  49  65.849   3.961   0.868
  412   1HD1  ILE  49          HD11      ILE  49  69.057   3.637  -0.759
  413   2HD1  ILE  49          HD13      ILE  49  68.529   3.744   0.919
  414   3HD1  ILE  49          HD12      ILE  49  69.841   2.652   0.474
  415    H    LYS  50           HN       LYS  50  65.771   3.285  -3.277
  416    HA   LYS  50           HA       LYS  50  63.150   4.336  -3.003
  417   1HB   LYS  50           HB2      LYS  50  64.994   5.312  -4.335
  418   2HB   LYS  50           HB1      LYS  50  64.887   3.968  -5.472
  419   1HG   LYS  50           HG2      LYS  50  62.264   4.968  -5.234
  420   2HG   LYS  50           HG1      LYS  50  63.307   6.386  -5.367
  421   1HD   LYS  50           HD2      LYS  50  63.823   5.941  -7.527
  422   2HD   LYS  50           HD1      LYS  50  64.052   4.221  -7.206
  423   1HE   LYS  50           HE2      LYS  50  61.243   5.210  -7.081
  424   2HE   LYS  50           HE1      LYS  50  61.989   5.133  -8.691
  425   1HZ   LYS  50           HZ1      LYS  50  62.576   2.886  -6.963
  426   2HZ   LYS  50           HZ3      LYS  50  60.946   3.009  -7.417
  427   3HZ   LYS  50           HZ2      LYS  50  62.153   2.909  -8.608
  428    H    GLU  51           HN       GLU  51  64.296   1.364  -4.459
  429    HA   GLU  51           HA       GLU  51  62.012   0.758  -6.104
  430   1HB   GLU  51           HB2      GLU  51  64.424  -0.253  -5.930
  431   2HB   GLU  51           HB1      GLU  51  63.720  -1.275  -4.676
  432   1HG   GLU  51           HG2      GLU  51  62.752  -2.588  -6.224
  433   2HG   GLU  51           HG1      GLU  51  61.963  -1.193  -6.959
  434    H    ALA  52           HN       ALA  52  62.832   0.103  -2.712
  435    HA   ALA  52           HA       ALA  52  60.917  -1.686  -1.846
  436   1HB   ALA  52           HB1      ALA  52  62.680   0.017  -0.717
  437   2HB   ALA  52           HB3      ALA  52  61.183   0.861  -0.319
  438   3HB   ALA  52           HB2      ALA  52  61.431  -0.800   0.222
  439    H    TYR  53           HN       TYR  53  60.368   1.588  -2.994
  440    HA   TYR  53           HA       TYR  53  57.719   1.984  -2.010
  441   1HB   TYR  53           HB2      TYR  53  59.050   2.898  -4.584
  442   2HB   TYR  53           HB1      TYR  53  57.642   3.651  -3.839
  443    HD1  TYR  53           HD1      TYR  53  59.465   2.569  -1.111
  444    HD2  TYR  53           HD2      TYR  53  59.675   5.519  -4.231
  445    HE1  TYR  53           HE1      TYR  53  60.971   3.937   0.290
  446    HE2  TYR  53           HE2      TYR  53  61.177   6.893  -2.814
  447    HH   TYR  53           HH       TYR  53  61.959   5.931   0.513
  448    H    GLU  54           HN       GLU  54  58.974   0.114  -4.709
  449    HA   GLU  54           HA       GLU  54  56.467  -0.304  -6.077
  450   1HB   GLU  54           HB2      GLU  54  58.687  -2.343  -5.841
  451   2HB   GLU  54           HB1      GLU  54  57.673  -1.987  -7.239
  452   1HG   GLU  54           HG2      GLU  54  58.983   0.422  -6.571
  453   2HG   GLU  54           HG1      GLU  54  60.205  -0.846  -6.512
  454    H    VAL  55           HN       VAL  55  57.719  -1.274  -3.041
  455    HA   VAL  55           HA       VAL  55  55.819  -3.531  -2.909
  456    HB   VAL  55           HB       VAL  55  58.511  -3.099  -2.088
  457   1HG1  VAL  55          HG11      VAL  55  56.553  -3.509   0.179
  458   2HG1  VAL  55          HG13      VAL  55  58.242  -3.999   0.286
  459   3HG1  VAL  55          HG12      VAL  55  57.831  -2.299   0.060
  460   1HG2  VAL  55          HG23      VAL  55  56.537  -5.256  -2.332
  461   2HG2  VAL  55          HG22      VAL  55  58.247  -5.240  -2.765
  462   3HG2  VAL  55          HG21      VAL  55  57.761  -5.554  -1.098
  463    H    LEU  56           HN       LEU  56  56.998  -0.860  -0.762
  464    HA   LEU  56           HA       LEU  56  54.494  -1.174   0.756
  465   1HB   LEU  56           HB2      LEU  56  55.536   0.010   2.454
  466   2HB   LEU  56           HB1      LEU  56  56.855  -0.868   1.708
  467    HG   LEU  56           HG       LEU  56  57.617   1.336   2.135
  468   1HD1  LEU  56          HD13      LEU  56  56.819   0.956  -0.740
  469   2HD1  LEU  56          HD12      LEU  56  57.883   2.251  -0.201
  470   3HD1  LEU  56          HD11      LEU  56  58.363   0.569   0.017
  471   1HD2  LEU  56          HD21      LEU  56  54.903   2.027   1.760
  472   2HD2  LEU  56          HD23      LEU  56  56.222   3.076   2.270
  473   3HD2  LEU  56          HD22      LEU  56  55.819   2.936   0.561
  474    H    THR  57           HN       THR  57  55.362   0.875  -1.876
  475    HA   THR  57           HA       THR  57  53.310   2.862  -0.982
  476    HB   THR  57           HB       THR  57  54.188   4.296  -2.689
  477    HG1  THR  57           HG1      THR  57  55.783   3.440  -4.151
  478   1HG2  THR  57          HG23      THR  57  56.273   2.732  -1.208
  479   2HG2  THR  57          HG22      THR  57  56.735   4.059  -2.266
  480   3HG2  THR  57          HG21      THR  57  55.682   4.356  -0.883
  481    H    ASP  58           HN       ASP  58  52.569   0.157  -1.714
  482    HA   ASP  58           HA       ASP  58  50.655   0.774  -3.898
  483   1HB   ASP  58           HB2      ASP  58  53.032  -0.809  -4.152
  484   2HB   ASP  58           HB1      ASP  58  51.638  -1.891  -4.248
  485    H    SER  59           HN       SER  59  48.763   0.380  -3.062
  486    HA   SER  59           HA       SER  59  48.129  -0.777  -0.695
  487   1HB   SER  59           HB2      SER  59  45.879  -1.034  -1.621
  488   2HB   SER  59           HB1      SER  59  46.621   0.423  -2.276
  489    HG   SER  59           HG       SER  59  47.152  -0.766  -4.135
  490    H    GLN  60           HN       GLN  60  48.392  -2.572  -3.779
  491    HA   GLN  60           HA       GLN  60  47.710  -5.131  -2.598
  492   1HB   GLN  60           HB2      GLN  60  48.647  -5.944  -4.808
  493   2HB   GLN  60           HB1      GLN  60  47.403  -4.704  -4.957
  494   1HG   GLN  60           HG2      GLN  60  49.826  -3.296  -4.706
  495   2HG   GLN  60           HG1      GLN  60  50.170  -4.623  -5.814
  496   1HE2  GLN  60          HE22      GLN  60  47.934  -3.426  -8.346
  497   2HE2  GLN  60          HE21      GLN  60  48.700  -4.819  -7.748
  498    H    LYS  61           HN       LYS  61  50.724  -3.380  -3.105
  499    HA   LYS  61           HA       LYS  61  52.480  -5.624  -2.465
  500   1HB   LYS  61           HB2      LYS  61  52.905  -2.635  -2.569
  501   2HB   LYS  61           HB1      LYS  61  54.165  -3.863  -2.584
  502   1HG   LYS  61           HG2      LYS  61  51.981  -3.754  -4.658
  503   2HG   LYS  61           HG1      LYS  61  53.522  -2.918  -4.854
  504   1HD   LYS  61           HD2      LYS  61  54.630  -4.834  -5.324
  505   2HD   LYS  61           HD1      LYS  61  53.831  -5.714  -4.020
  506   1HE   LYS  61           HE2      LYS  61  53.116  -6.747  -6.081
  507   2HE   LYS  61           HE1      LYS  61  51.749  -5.762  -5.525
  508   1HZ   LYS  61           HZ2      LYS  61  52.543  -3.937  -6.892
  509   2HZ   LYS  61           HZ1      LYS  61  53.847  -4.880  -7.438
  510   3HZ   LYS  61           HZ3      LYS  61  52.259  -5.309  -7.853
  511    H    ARG  62           HN       ARG  62  51.736  -2.576  -0.716
  512    HA   ARG  62           HA       ARG  62  53.086  -3.415   1.675
  513   1HB   ARG  62           HB2      ARG  62  51.976  -1.439   2.622
  514   2HB   ARG  62           HB1      ARG  62  52.529  -1.073   0.986
  515   1HG   ARG  62           HG2      ARG  62  50.380  -1.117   0.103
  516   2HG   ARG  62           HG1      ARG  62  49.767  -2.177   1.368
  517   1HD   ARG  62           HD2      ARG  62  50.625   0.148   2.715
  518   2HD   ARG  62           HD1      ARG  62  49.747   0.720   1.282
  519    HE   ARG  62           HE       ARG  62  48.434  -1.499   2.680
  520   1HH1  ARG  62          HH11      ARG  62  49.031   1.876   2.808
  521   2HH1  ARG  62          HH12      ARG  62  47.420   2.288   3.291
  522   1HH2  ARG  62          HH21      ARG  62  46.248  -0.972   3.104
  523   2HH2  ARG  62          HH22      ARG  62  45.844   0.675   3.459
  524    H    ALA  63           HN       ALA  63  49.975  -4.140   0.374
  525    HA   ALA  63           HA       ALA  63  48.808  -4.939   2.971
  526   1HB   ALA  63           HB1      ALA  63  47.888  -5.225   0.085
  527   2HB   ALA  63           HB3      ALA  63  46.888  -5.536   1.504
  528   3HB   ALA  63           HB2      ALA  63  47.459  -3.902   1.169
  529    H    ALA  64           HN       ALA  64  50.648  -6.254   0.383
  530    HA   ALA  64           HA       ALA  64  49.962  -9.063   0.960
  531   1HB   ALA  64           HB3      ALA  64  51.699  -7.518  -0.965
  532   2HB   ALA  64           HB2      ALA  64  51.835  -9.272  -0.845
  533   3HB   ALA  64           HB1      ALA  64  50.305  -8.537  -1.323
  534    H    TYR  65           HN       TYR  65  52.784  -6.885   1.204
  535    HA   TYR  65           HA       TYR  65  54.498  -8.862   2.442
  536   1HB   TYR  65           HB2      TYR  65  54.467  -5.912   1.902
  537   2HB   TYR  65           HB1      TYR  65  55.694  -6.559   3.005
  538    HD1  TYR  65           HD2      TYR  65  54.426  -6.557  -0.455
  539    HD2  TYR  65           HD1      TYR  65  57.408  -8.117   2.216
  540    HE1  TYR  65           HE2      TYR  65  55.739  -7.367  -2.395
  541    HE2  TYR  65           HE1      TYR  65  58.720  -8.929   0.272
  542    HH   TYR  65           HH       TYR  65  57.840  -8.083  -3.016
  543    H    ASP  66           HN       ASP  66  52.389  -6.273   3.692
  544    HA   ASP  66           HA       ASP  66  53.125  -6.104   6.360
  545   1HB   ASP  66           HB2      ASP  66  50.732  -5.637   6.765
  546   2HB   ASP  66           HB1      ASP  66  51.248  -4.911   5.241
  547    H    GLN  67           HN       GLN  67  51.543  -8.808   4.728
  548    HA   GLN  67           HA       GLN  67  51.939 -10.443   7.204
  549   1HB   GLN  67           HB2      GLN  67  49.468 -10.178   5.465
  550   2HB   GLN  67           HB1      GLN  67  49.677 -11.454   6.666
  551   1HG   GLN  67           HG2      GLN  67  49.923  -8.515   7.344
  552   2HG   GLN  67           HG1      GLN  67  48.400  -9.398   7.466
  553   1HE2  GLN  67          HE22      GLN  67  49.822  -9.724  10.825
  554   2HE2  GLN  67          HE21      GLN  67  49.033  -8.558   9.877
  555    H    TYR  68           HN       TYR  68  53.099 -10.066   4.313
  556    HA   TYR  68           HA       TYR  68  54.035 -11.488   2.675
  557   1HB   TYR  68           HB2      TYR  68  53.582 -13.239   5.093
  558   2HB   TYR  68           HB1      TYR  68  54.302 -13.898   3.620
  559    HD1  TYR  68           HD1      TYR  68  54.724 -11.473   6.376
  560    HD2  TYR  68           HD2      TYR  68  56.517 -13.226   2.888
  561    HE1  TYR  68           HE1      TYR  68  56.914 -10.500   7.014
  562    HE2  TYR  68           HE2      TYR  68  58.708 -12.254   3.528
  563    HH   TYR  68           HH       TYR  68  59.677 -11.454   6.119
  564    H    GLY  69           HN       GLY  69  51.107 -11.027   2.678
  565   1HA   GLY  69           HA2      GLY  69  49.480 -11.804   1.101
  566   2HA   GLY  69           HA1      GLY  69  50.372 -13.321   0.969
  567    H    HIS  70           HN       HIS  70  47.454 -12.586   1.706
  568    HA   HIS  70           HA       HIS  70  46.812 -13.111   4.355
  569   1HB   HIS  70           HB2      HIS  70  44.751 -14.171   3.373
  570   2HB   HIS  70           HB1      HIS  70  45.174 -12.634   2.613
  571    HD1  HIS  70           HD1      HIS  70  46.051 -12.700   0.180
  572    HD2  HIS  70           HD2      HIS  70  45.157 -16.469   1.721
  573    HE1  HIS  70           HE1      HIS  70  46.072 -14.299  -1.783
  574    H    ALA  71           HN       ALA  71  48.244 -15.295   2.040
  575    HA   ALA  71           HA       ALA  71  47.616 -17.843   2.949
  576   1HB   ALA  71           HB1      ALA  71  49.505 -16.629   1.325
  577   2HB   ALA  71           HB3      ALA  71  50.496 -17.386   2.572
  578   3HB   ALA  71           HB2      ALA  71  49.385 -18.364   1.614
  579    H    ALA  72           HN       ALA  72  49.982 -15.577   4.380
  580    HA   ALA  72           HA       ALA  72  50.967 -17.268   6.445
  581   1HB   ALA  72           HB3      ALA  72  51.410 -14.739   5.535
  582   2HB   ALA  72           HB2      ALA  72  50.541 -14.387   7.028
  583   3HB   ALA  72           HB1      ALA  72  52.030 -15.331   7.077
  584    H    PHE  73           HN       PHE  73  47.903 -15.708   6.034
  585    HA   PHE  73           HA       PHE  73  47.083 -16.639   8.762
  586   1HB   PHE  73           HB2      PHE  73  47.155 -13.962   7.574
  587   2HB   PHE  73           HB1      PHE  73  45.548 -14.385   8.177
  588    HD1  PHE  73           HD1      PHE  73  46.240 -16.196  10.425
  589    HD2  PHE  73           HD2      PHE  73  47.999 -12.471   9.208
  590    HE1  PHE  73           HE1      PHE  73  47.004 -15.797  12.751
  591    HE2  PHE  73           HE2      PHE  73  48.762 -12.072  11.532
  592    HZ   PHE  73           HZ       PHE  73  48.265 -13.735  13.304
  593    H    GLU  74           HN       GLU  74  46.779 -17.738   5.960
  594    HA   GLU  74           HA       GLU  74  45.085 -18.789   4.696
  595   1HB   GLU  74           HB2      GLU  74  43.556 -18.199   7.255
  596   2HB   GLU  74           HB1      GLU  74  43.087 -19.379   6.030
  597   1HG   GLU  74           HG2      GLU  74  45.678 -19.439   7.607
  598   2HG   GLU  74           HG1      GLU  74  44.272 -20.456   7.923
  599    H    GLN  75           HN       GLN  75  42.294 -18.227   4.673
  600    HA   GLN  75           HA       GLN  75  42.133 -16.008   2.912
  601   1HB   GLN  75           HB2      GLN  75  40.166 -17.556   4.603
  602   2HB   GLN  75           HB1      GLN  75  39.630 -16.268   3.521
  603   1HG   GLN  75           HG2      GLN  75  41.508 -18.099   2.226
  604   2HG   GLN  75           HG1      GLN  75  40.054 -18.919   2.800
  605   1HE2  GLN  75          HE22      GLN  75  37.988 -16.503   0.812
  606   2HE2  GLN  75          HE21      GLN  75  38.133 -16.859   2.465
  607    H    GLY  76           HN       GLY  76  40.125 -15.923   5.810
  608   1HA   GLY  76           HA2      GLY  76  40.191 -14.332   7.609
  609   2HA   GLY  76           HA1      GLY  76  41.441 -13.439   6.741
  610    H    GLY  77           HN       GLY  77  40.437 -11.422   6.685
  611   1HA   GLY  77           HA2      GLY  77  38.411 -11.027   4.661
  612   2HA   GLY  77           HA1      GLY  77  37.737 -10.829   6.279
   
  No H/Q in entry =         612
  Start of MODEL   19
    1   1H    ALA   1           HT1      ALA   1  69.519 -12.796   2.648
    2   2H    ALA   1           HT3      ALA   1  71.074 -13.472   2.612
    3   3H    ALA   1           HT2      ALA   1  69.900 -14.105   3.663
    4    HA   ALA   1           HA       ALA   1  71.139 -12.821   5.112
    5   1HB   ALA   1           HB1      ALA   1  71.799 -11.627   2.559
    6   2HB   ALA   1           HB3      ALA   1  71.504 -10.366   3.757
    7   3HB   ALA   1           HB2      ALA   1  72.725 -11.602   4.061
    8    H    LYS   2           HN       LYS   2  70.717 -10.139   5.658
    9    HA   LYS   2           HA       LYS   2  67.803 -10.096   6.164
   10   1HB   LYS   2           HB2      LYS   2  69.621  -9.646   7.869
   11   2HB   LYS   2           HB1      LYS   2  69.989  -8.162   6.989
   12   1HG   LYS   2           HG2      LYS   2  68.192  -7.088   7.845
   13   2HG   LYS   2           HG1      LYS   2  67.130  -8.464   7.548
   14   1HD   LYS   2           HD2      LYS   2  67.231  -9.065   9.713
   15   2HD   LYS   2           HD1      LYS   2  68.993  -9.118   9.648
   16   1HE   LYS   2           HE2      LYS   2  68.559  -7.450  11.275
   17   2HE   LYS   2           HE1      LYS   2  68.825  -6.503   9.797
   18   1HZ   LYS   2           HZ1      LYS   2  66.153  -7.520  10.573
   19   2HZ   LYS   2           HZ3      LYS   2  66.715  -5.998  11.070
   20   3HZ   LYS   2           HZ2      LYS   2  66.527  -6.333   9.415
   21    H    GLN   3           HN       GLN   3  66.789  -9.442   4.228
   22    HA   GLN   3           HA       GLN   3  67.356  -6.641   3.377
   23   1HB   GLN   3           HB2      GLN   3  67.663  -9.176   1.837
   24   2HB   GLN   3           HB1      GLN   3  66.975  -7.799   0.976
   25   1HG   GLN   3           HG2      GLN   3  69.130  -6.739   2.430
   26   2HG   GLN   3           HG1      GLN   3  69.726  -8.263   1.774
   27   1HE2  GLN   3          HE22      GLN   3  69.242  -7.203  -1.665
   28   2HE2  GLN   3          HE21      GLN   3  69.100  -8.580  -0.683
   29    H    ASP   4           HN       ASP   4  65.402  -5.665   3.674
   30    HA   ASP   4           HA       ASP   4  62.984  -6.848   2.426
   31   1HB   ASP   4           HB2      ASP   4  62.234  -5.853   5.005
   32   2HB   ASP   4           HB1      ASP   4  62.070  -7.493   4.393
   33    H    TYR   5           HN       TYR   5  62.367  -5.297   1.169
   34    HA   TYR   5           HA       TYR   5  62.946  -2.664   0.966
   35   1HB   TYR   5           HB2      TYR   5  60.115  -2.783   0.683
   36   2HB   TYR   5           HB1      TYR   5  61.353  -2.817  -0.563
   37    HD1  TYR   5           HD2      TYR   5  59.633  -5.050   1.883
   38    HD2  TYR   5           HD1      TYR   5  61.709  -4.692  -1.854
   39    HE1  TYR   5           HE2      TYR   5  59.157  -7.437   1.394
   40    HE2  TYR   5           HE1      TYR   5  61.245  -7.081  -2.348
   41    HH   TYR   5           HH       TYR   5  60.748  -9.190  -0.910
   42    H    TYR   6           HN       TYR   6  60.047  -3.568   2.921
   43    HA   TYR   6           HA       TYR   6  59.641  -1.076   4.132
   44   1HB   TYR   6           HB2      TYR   6  59.230  -3.924   4.904
   45   2HB   TYR   6           HB1      TYR   6  58.975  -2.679   6.133
   46    HD1  TYR   6           HD1      TYR   6  57.628  -0.567   5.326
   47    HD2  TYR   6           HD2      TYR   6  57.452  -4.431   3.456
   48    HE1  TYR   6           HE1      TYR   6  55.438   0.013   4.328
   49    HE2  TYR   6           HE2      TYR   6  55.254  -3.847   2.456
   50    HH   TYR   6           HH       TYR   6  53.601  -0.857   3.346
   51    H    GLU   7           HN       GLU   7  62.093  -3.493   4.733
   52    HA   GLU   7           HA       GLU   7  63.210  -2.007   7.050
   53   1HB   GLU   7           HB2      GLU   7  63.342  -4.652   5.875
   54   2HB   GLU   7           HB1      GLU   7  64.970  -4.009   6.073
   55   1HG   GLU   7           HG2      GLU   7  63.146  -3.569   8.365
   56   2HG   GLU   7           HG1      GLU   7  63.601  -5.248   8.068
   57    H    ILE   8           HN       ILE   8  63.718  -2.532   3.598
   58    HA   ILE   8           HA       ILE   8  66.289  -1.553   3.170
   59    HB   ILE   8           HB       ILE   8  63.718  -1.235   1.627
   60   1HG1  ILE   8          HG12      ILE   8  64.704  -3.534   2.004
   61   2HG1  ILE   8          HG11      ILE   8  64.629  -3.076   0.305
   62   1HG2  ILE   8          HG23      ILE   8  65.290   0.555   1.001
   63   2HG2  ILE   8          HG22      ILE   8  66.544  -0.649   0.715
   64   3HG2  ILE   8          HG21      ILE   8  65.102  -0.619  -0.300
   65   1HD1  ILE   8          HD12      ILE   8  67.107  -2.130   1.343
   66   2HD1  ILE   8          HD11      ILE   8  66.923  -3.811   1.844
   67   3HD1  ILE   8          HD13      ILE   8  66.843  -3.388   0.134
   68    H    LEU   9           HN       LEU   9  63.248   0.216   3.552
   69    HA   LEU   9           HA       LEU   9  64.600   2.858   3.564
   70   1HB   LEU   9           HB2      LEU   9  61.714   2.146   4.133
   71   2HB   LEU   9           HB1      LEU   9  62.344   3.677   3.528
   72    HG   LEU   9           HG       LEU   9  63.198   1.600   1.773
   73   1HD1  LEU   9          HD12      LEU   9  60.848   0.822   3.023
   74   2HD1  LEU   9          HD11      LEU   9  60.280   1.585   1.539
   75   3HD1  LEU   9          HD13      LEU   9  61.419   0.240   1.459
   76   1HD2  LEU   9          HD21      LEU   9  62.600   4.133   1.468
   77   2HD2  LEU   9          HD23      LEU   9  62.274   3.018   0.142
   78   3HD2  LEU   9          HD22      LEU   9  60.964   3.534   1.200
   79    H    GLY  10           HN       GLY  10  64.880   0.600   5.677
   80   1HA   GLY  10           HA2      GLY  10  65.153   0.480   7.985
   81   2HA   GLY  10           HA1      GLY  10  65.188   2.240   7.963
   82    H    VAL  11           HN       VAL  11  62.295   0.673   6.714
   83    HA   VAL  11           HA       VAL  11  60.922   1.633   9.210
   84    HB   VAL  11           HB       VAL  11  59.061   0.983   7.165
   85   1HG1  VAL  11          HG12      VAL  11  59.958   3.282   8.755
   86   2HG1  VAL  11          HG11      VAL  11  59.213   3.713   7.218
   87   3HG1  VAL  11          HG13      VAL  11  58.325   2.737   8.387
   88   1HG2  VAL  11          HG23      VAL  11  61.491   2.449   6.183
   89   2HG2  VAL  11          HG22      VAL  11  60.592   1.147   5.403
   90   3HG2  VAL  11          HG21      VAL  11  59.898   2.763   5.504
   91    H    SER  12           HN       SER  12  58.740   0.369   9.487
   92    HA   SER  12           HA       SER  12  59.441  -2.462   9.859
   93   1HB   SER  12           HB2      SER  12  58.247  -0.803  11.486
   94   2HB   SER  12           HB1      SER  12  56.820  -1.139  10.508
   95    HG   SER  12           HG       SER  12  56.654  -2.884  11.653
   96    H    LYS  13           HN       LYS  13  58.257  -4.189   8.893
   97    HA   LYS  13           HA       LYS  13  57.430  -3.907   6.233
   98   1HB   LYS  13           HB2      LYS  13  56.344  -6.085   6.607
   99   2HB   LYS  13           HB1      LYS  13  57.953  -6.012   7.323
  100   1HG   LYS  13           HG2      LYS  13  56.089  -5.041   9.262
  101   2HG   LYS  13           HG1      LYS  13  55.472  -6.570   8.633
  102   1HD   LYS  13           HD2      LYS  13  58.315  -6.786   9.027
  103   2HD   LYS  13           HD1      LYS  13  57.565  -6.200  10.512
  104   1HE   LYS  13           HE2      LYS  13  56.214  -8.462   9.090
  105   2HE   LYS  13           HE1      LYS  13  57.698  -8.816   9.998
  106   1HZ   LYS  13           HZ2      LYS  13  55.534  -7.149  11.134
  107   2HZ   LYS  13           HZ1      LYS  13  55.528  -8.840  11.301
  108   3HZ   LYS  13           HZ3      LYS  13  56.804  -7.929  11.950
  109    H    THR  14           HN       THR  14  55.829  -3.004   9.130
  110    HA   THR  14           HA       THR  14  53.197  -2.743   7.784
  111    HB   THR  14           HB       THR  14  52.344  -2.680   9.973
  112    HG1  THR  14           HG1      THR  14  53.257  -1.492  11.431
  113   1HG2  THR  14          HG22      THR  14  53.853  -4.751   9.392
  114   2HG2  THR  14          HG21      THR  14  54.912  -4.091  10.637
  115   3HG2  THR  14          HG23      THR  14  53.256  -4.548  11.040
  116    H    ALA  15           HN       ALA  15  55.962  -0.920   7.890
  117    HA   ALA  15           HA       ALA  15  55.281   1.641   8.815
  118   1HB   ALA  15           HB3      ALA  15  56.881   0.783   6.399
  119   2HB   ALA  15           HB2      ALA  15  56.997   2.352   7.194
  120   3HB   ALA  15           HB1      ALA  15  57.481   0.892   8.052
  121    H    GLU  16           HN       GLU  16  55.600   3.130   6.390
  122    HA   GLU  16           HA       GLU  16  53.202   2.629   4.733
  123   1HB   GLU  16           HB2      GLU  16  53.587   5.051   6.531
  124   2HB   GLU  16           HB1      GLU  16  52.318   4.909   5.310
  125   1HG   GLU  16           HG2      GLU  16  51.819   2.631   6.568
  126   2HG   GLU  16           HG1      GLU  16  52.610   3.457   7.912
  127    H    GLU  17           HN       GLU  17  53.475   5.702   4.151
  128    HA   GLU  17           HA       GLU  17  55.531   5.376   2.052
  129   1HB   GLU  17           HB2      GLU  17  53.738   7.738   2.691
  130   2HB   GLU  17           HB1      GLU  17  54.516   7.373   1.151
  131   1HG   GLU  17           HG2      GLU  17  53.172   5.310   0.960
  132   2HG   GLU  17           HG1      GLU  17  52.386   5.682   2.495
  133    H    ARG  18           HN       ARG  18  54.782   8.150   4.150
  134    HA   ARG  18           HA       ARG  18  57.045   9.641   4.114
  135   1HB   ARG  18           HB2      ARG  18  56.557   9.818   6.724
  136   2HB   ARG  18           HB1      ARG  18  55.399  10.417   5.538
  137   1HG   ARG  18           HG2      ARG  18  53.883   8.776   5.996
  138   2HG   ARG  18           HG1      ARG  18  55.128   7.546   6.207
  139   1HD   ARG  18           HD2      ARG  18  53.917   8.085   8.347
  140   2HD   ARG  18           HD1      ARG  18  55.655   8.436   8.447
  141    HE   ARG  18           HE       ARG  18  54.212  10.724   7.438
  142   1HH1  ARG  18          HH21      ARG  18  53.713   8.982  10.261
  143   2HH1  ARG  18          HH22      ARG  18  54.066  10.289  11.341
  144   1HH2  ARG  18          HH11      ARG  18  55.189  12.406   8.835
  145   2HH2  ARG  18          HH12      ARG  18  54.901  12.228  10.533
  146    H    GLU  19           HN       GLU  19  56.843   7.429   6.888
  147    HA   GLU  19           HA       GLU  19  59.498   7.391   7.609
  148   1HB   GLU  19           HB2      GLU  19  58.870   5.140   8.552
  149   2HB   GLU  19           HB1      GLU  19  57.718   6.409   8.915
  150   1HG   GLU  19           HG2      GLU  19  56.474   5.631   6.791
  151   2HG   GLU  19           HG1      GLU  19  57.466   4.181   6.896
  152    H    ILE  20           HN       ILE  20  57.967   5.856   4.890
  153    HA   ILE  20           HA       ILE  20  60.229   4.087   4.280
  154    HB   ILE  20           HB       ILE  20  57.471   4.490   3.589
  155   1HG1  ILE  20          HG12      ILE  20  58.018   2.168   2.443
  156   2HG1  ILE  20          HG11      ILE  20  59.551   2.361   3.292
  157   1HG2  ILE  20          HG21      ILE  20  58.483   5.615   1.556
  158   2HG2  ILE  20          HG23      ILE  20  59.208   4.062   1.153
  159   3HG2  ILE  20          HG22      ILE  20  57.458   4.227   1.207
  160   1HD1  ILE  20          HD13      ILE  20  57.818   3.023   5.274
  161   2HD1  ILE  20          HD12      ILE  20  56.838   1.865   4.377
  162   3HD1  ILE  20          HD11      ILE  20  58.411   1.384   5.012
  163    H    ARG  21           HN       ARG  21  58.906   7.191   3.184
  164    HA   ARG  21           HA       ARG  21  61.066   7.451   1.165
  165   1HB   ARG  21           HB2      ARG  21  59.911   9.615   0.665
  166   2HB   ARG  21           HB1      ARG  21  58.826   8.234   0.587
  167   1HG   ARG  21           HG2      ARG  21  57.583   9.791   1.810
  168   2HG   ARG  21           HG1      ARG  21  58.304   8.815   3.075
  169   1HD   ARG  21           HD2      ARG  21  59.413  10.609   3.906
  170   2HD   ARG  21           HD1      ARG  21  60.077  10.991   2.305
  171    HE   ARG  21           HE       ARG  21  57.228  11.608   2.577
  172   1HH1  ARG  21          HH11      ARG  21  59.399  12.986   4.500
  173   2HH1  ARG  21          HH12      ARG  21  59.483  14.529   3.716
  174   1HH2  ARG  21          HH21      ARG  21  57.784  13.472   0.882
  175   2HH2  ARG  21          HH22      ARG  21  58.564  14.804   1.667
  176    H    LYS  22           HN       LYS  22  60.120   8.838   4.261
  177    HA   LYS  22           HA       LYS  22  62.041  10.889   4.506
  178   1HB   LYS  22           HB2      LYS  22  60.354  10.719   6.153
  179   2HB   LYS  22           HB1      LYS  22  60.627   8.990   6.379
  180   1HG   LYS  22           HG2      LYS  22  61.499  10.499   8.242
  181   2HG   LYS  22           HG1      LYS  22  62.668   9.366   7.564
  182   1HD   LYS  22           HD2      LYS  22  63.866  11.385   7.613
  183   2HD   LYS  22           HD1      LYS  22  63.283  11.327   5.954
  184   1HE   LYS  22           HE2      LYS  22  61.905  13.123   6.247
  185   2HE   LYS  22           HE1      LYS  22  61.403  12.585   7.863
  186   1HZ   LYS  22           HZ1      LYS  22  63.721  13.147   8.600
  187   2HZ   LYS  22           HZ3      LYS  22  63.939  13.929   7.110
  188   3HZ   LYS  22           HZ2      LYS  22  62.753  14.483   8.193
  189    H    ALA  23           HN       ALA  23  62.312   7.411   5.248
  190    HA   ALA  23           HA       ALA  23  64.922   7.368   6.337
  191   1HB   ALA  23           HB2      ALA  23  63.151   5.544   6.161
  192   2HB   ALA  23           HB1      ALA  23  63.691   5.302   4.499
  193   3HB   ALA  23           HB3      ALA  23  64.804   5.023   5.838
  194    H    TYR  24           HN       TYR  24  63.936   6.879   2.931
  195    HA   TYR  24           HA       TYR  24  66.625   6.788   1.900
  196   1HB   TYR  24           HB2      TYR  24  64.415   5.942   0.884
  197   2HB   TYR  24           HB1      TYR  24  64.080   7.615   0.455
  198    HD1  TYR  24           HD2      TYR  24  67.364   5.839   0.491
  199    HD2  TYR  24           HD1      TYR  24  64.292   7.664  -1.894
  200    HE1  TYR  24           HE2      TYR  24  68.801   5.637  -1.518
  201    HE2  TYR  24           HE1      TYR  24  65.729   7.460  -3.902
  202    HH   TYR  24           HH       TYR  24  67.583   6.314  -4.722
  203    H    LYS  25           HN       LYS  25  64.602   9.203   3.113
  204    HA   LYS  25           HA       LYS  25  65.752  11.438   1.607
  205   1HB   LYS  25           HB2      LYS  25  63.484  10.721   3.235
  206   2HB   LYS  25           HB1      LYS  25  64.214  12.193   3.866
  207   1HG   LYS  25           HG2      LYS  25  62.974  13.231   2.260
  208   2HG   LYS  25           HG1      LYS  25  64.249  12.685   1.168
  209   1HD   LYS  25           HD2      LYS  25  63.014  10.735   0.543
  210   2HD   LYS  25           HD1      LYS  25  61.852  10.976   1.846
  211   1HE   LYS  25           HE2      LYS  25  60.572  12.257   0.487
  212   2HE   LYS  25           HE1      LYS  25  61.940  13.354   0.212
  213   1HZ   LYS  25           HZ1      LYS  25  61.642  10.722  -1.128
  214   2HZ   LYS  25           HZ3      LYS  25  61.151  12.185  -1.828
  215   3HZ   LYS  25           HZ2      LYS  25  62.792  11.926  -1.471
  216    H    ARG  26           HN       ARG  26  65.650  10.298   4.993
  217    HA   ARG  26           HA       ARG  26  67.731  12.217   5.798
  218   1HB   ARG  26           HB2      ARG  26  65.715  10.457   6.995
  219   2HB   ARG  26           HB1      ARG  26  67.233  10.475   7.893
  220   1HG   ARG  26           HG2      ARG  26  66.960  13.123   7.387
  221   2HG   ARG  26           HG1      ARG  26  65.262  12.650   7.472
  222   1HD   ARG  26           HD2      ARG  26  65.617  12.993   9.732
  223   2HD   ARG  26           HD1      ARG  26  66.218  11.325   9.644
  224    HE   ARG  26           HE       ARG  26  68.505  12.386   9.181
  225   1HH1  ARG  26          HH21      ARG  26  66.320  14.823   9.841
  226   2HH1  ARG  26          HH22      ARG  26  67.221  15.534  11.138
  227   1HH2  ARG  26          HH11      ARG  26  69.540  12.958  11.291
  228   2HH2  ARG  26          HH12      ARG  26  69.045  14.478  11.960
  229    H    LEU  27           HN       LEU  27  67.446   8.761   5.093
  230    HA   LEU  27           HA       LEU  27  70.078   8.102   6.173
  231   1HB   LEU  27           HB2      LEU  27  69.457   5.929   5.654
  232   2HB   LEU  27           HB1      LEU  27  67.862   6.676   5.748
  233    HG   LEU  27           HG       LEU  27  68.204   7.122   3.198
  234   1HD1  LEU  27          HD12      LEU  27  70.575   5.602   3.897
  235   2HD1  LEU  27          HD11      LEU  27  69.629   4.760   2.670
  236   3HD1  LEU  27          HD13      LEU  27  70.181   6.410   2.379
  237   1HD2  LEU  27          HD23      LEU  27  66.705   5.384   4.453
  238   2HD2  LEU  27          HD22      LEU  27  67.003   5.157   2.730
  239   3HD2  LEU  27          HD21      LEU  27  67.908   4.212   3.913
  240    H    ALA  28           HN       ALA  28  68.680   8.857   3.007
  241    HA   ALA  28           HA       ALA  28  71.122   8.246   1.557
  242   1HB   ALA  28           HB2      ALA  28  68.657   8.237   0.814
  243   2HB   ALA  28           HB1      ALA  28  68.808   9.991   0.709
  244   3HB   ALA  28           HB3      ALA  28  69.814   8.956  -0.305
  245    H    MET  29           HN       MET  29  69.549  11.245   2.721
  246    HA   MET  29           HA       MET  29  71.491  13.049   1.656
  247   1HB   MET  29           HB2      MET  29  70.502  14.604   3.176
  248   2HB   MET  29           HB1      MET  29  69.206  13.462   2.830
  249   1HG   MET  29           HG2      MET  29  69.102  13.532   5.149
  250   2HG   MET  29           HG1      MET  29  70.208  12.179   4.915
  251   1HE   MET  29           HE2      MET  29  69.670  15.757   5.181
  252   2HE   MET  29           HE1      MET  29  70.875  16.403   6.293
  253   3HE   MET  29           HE3      MET  29  71.247  16.251   4.570
  254    H    LYS  30           HN       LYS  30  71.461  10.838   4.343
  255    HA   LYS  30           HA       LYS  30  73.975  11.883   5.503
  256   1HB   LYS  30           HB2      LYS  30  71.758  10.104   6.215
  257   2HB   LYS  30           HB1      LYS  30  73.324   9.426   6.659
  258   1HG   LYS  30           HG2      LYS  30  73.745  11.058   8.211
  259   2HG   LYS  30           HG1      LYS  30  72.925  12.306   7.271
  260   1HD   LYS  30           HD2      LYS  30  70.903  11.892   8.241
  261   2HD   LYS  30           HD1      LYS  30  71.176  10.151   8.300
  262   1HE   LYS  30           HE2      LYS  30  72.946  10.737  10.144
  263   2HE   LYS  30           HE1      LYS  30  72.043  12.258  10.271
  264   1HZ   LYS  30           HZ1      LYS  30  70.158  10.237  10.043
  265   2HZ   LYS  30           HZ3      LYS  30  71.292   9.678  11.174
  266   3HZ   LYS  30           HZ2      LYS  30  70.508  11.163  11.423
  267    H    TYR  31           HN       TYR  31  72.886   9.537   3.188
  268    HA   TYR  31           HA       TYR  31  75.513   8.125   3.252
  269   1HB   TYR  31           HB2      TYR  31  72.737   7.484   2.541
  270   2HB   TYR  31           HB1      TYR  31  73.902   6.923   1.340
  271    HD1  TYR  31           HD1      TYR  31  74.792   7.367   4.884
  272    HD2  TYR  31           HD2      TYR  31  73.613   4.553   1.861
  273    HE1  TYR  31           HE1      TYR  31  75.450   5.497   6.372
  274    HE2  TYR  31           HE2      TYR  31  74.269   2.682   3.350
  275    HH   TYR  31           HH       TYR  31  75.359   3.272   6.676
  276    H    HIS  32           HN       HIS  32  74.372  10.800   1.966
  277    HA   HIS  32           HA       HIS  32  74.805  10.787  -0.824
  278   1HB   HIS  32           HB2      HIS  32  74.911  13.198  -0.382
  279   2HB   HIS  32           HB1      HIS  32  73.739  12.456   0.685
  280    HD1  HIS  32           HD1      HIS  32  75.715  15.049   1.208
  281    HD2  HIS  32           HD2      HIS  32  75.899  11.266   2.947
  282    HE1  HIS  32           HE1      HIS  32  76.942  15.334   3.404
  283    HA   PRO  33           HA       PRO  33  79.149  10.972  -1.384
  284   1HB   PRO  33           HB2      PRO  33  80.303  13.458  -1.312
  285   2HB   PRO  33           HB1      PRO  33  79.355  12.848  -2.683
  286   1HG   PRO  33           HG2      PRO  33  78.550  14.695  -0.506
  287   2HG   PRO  33           HG1      PRO  33  78.114  14.710  -2.220
  288   1HD   PRO  33           HD2      PRO  33  76.500  13.842  -0.247
  289   2HD   PRO  33           HD1      PRO  33  76.393  13.259  -1.920
  290    H    ASP  34           HN       ASP  34  78.437  10.399   1.199
  291    HA   ASP  34           HA       ASP  34  80.564  11.594   2.933
  292   1HB   ASP  34           HB2      ASP  34  79.182  10.762   4.759
  293   2HB   ASP  34           HB1      ASP  34  78.107  11.578   3.625
  294    H    ARG  35           HN       ARG  35  79.111   8.615   1.733
  295    HA   ARG  35           HA       ARG  35  81.686   7.177   2.162
  296   1HB   ARG  35           HB2      ARG  35  80.318   5.256   2.984
  297   2HB   ARG  35           HB1      ARG  35  80.140   6.676   4.016
  298   1HG   ARG  35           HG2      ARG  35  77.916   5.953   3.683
  299   2HG   ARG  35           HG1      ARG  35  78.110   7.256   2.511
  300   1HD   ARG  35           HD2      ARG  35  77.638   5.828   0.837
  301   2HD   ARG  35           HD1      ARG  35  79.012   4.808   1.312
  302    HE   ARG  35           HE       ARG  35  76.329   4.602   2.638
  303   1HH1  ARG  35          HH11      ARG  35  79.391   3.329   2.748
  304   2HH1  ARG  35          HH12      ARG  35  78.921   1.676   2.526
  305   1HH2  ARG  35          HH21      ARG  35  75.630   2.439   1.745
  306   2HH2  ARG  35          HH22      ARG  35  76.792   1.172   1.959
  307    H    ASN  36           HN       ASN  36  78.642   7.606   0.401
  308    HA   ASN  36           HA       ASN  36  78.589   5.453  -1.358
  309   1HB   ASN  36           HB2      ASN  36  77.685   8.208  -1.203
  310   2HB   ASN  36           HB1      ASN  36  78.066   7.770  -2.868
  311   1HD2  ASN  36          HD22      ASN  36  74.928   5.939  -0.974
  312   2HD2  ASN  36          HD21      ASN  36  76.042   6.850  -0.076
  313    H    GLN  37           HN       GLN  37  80.913   8.046  -1.161
  314    HA   GLN  37           HA       GLN  37  82.032   8.038  -3.748
  315   1HB   GLN  37           HB2      GLN  37  83.458   8.203  -1.070
  316   2HB   GLN  37           HB1      GLN  37  84.010   8.898  -2.594
  317   1HG   GLN  37           HG2      GLN  37  81.362   9.826  -2.191
  318   2HG   GLN  37           HG1      GLN  37  82.214  10.034  -0.660
  319   1HE2  GLN  37          HE22      GLN  37  84.047  12.791  -1.840
  320   2HE2  GLN  37          HE21      GLN  37  83.483  11.893  -0.514
  321    H    GLY  38           HN       GLY  38  82.001   5.558  -1.326
  322   1HA   GLY  38           HA2      GLY  38  84.385   4.151  -2.165
  323   2HA   GLY  38           HA1      GLY  38  83.066   3.462  -1.216
  324    H    ASP  39           HN       ASP  39  81.227   4.503  -3.482
  325    HA   ASP  39           HA       ASP  39  80.253   3.580  -5.428
  326   1HB   ASP  39           HB2      ASP  39  83.107   3.638  -5.685
  327   2HB   ASP  39           HB1      ASP  39  82.498   2.182  -6.475
  328    H    LYS  40           HN       LYS  40  80.994   1.901  -2.831
  329    HA   LYS  40           HA       LYS  40  81.172  -0.860  -3.619
  330   1HB   LYS  40           HB2      LYS  40  80.460   0.783  -1.240
  331   2HB   LYS  40           HB1      LYS  40  79.957  -0.907  -1.220
  332   1HG   LYS  40           HG2      LYS  40  82.091  -1.667  -0.993
  333   2HG   LYS  40           HG1      LYS  40  82.727  -0.487  -2.140
  334   1HD   LYS  40           HD2      LYS  40  82.250   1.244  -0.239
  335   2HD   LYS  40           HD1      LYS  40  82.232  -0.171   0.812
  336   1HE   LYS  40           HE2      LYS  40  84.501  -0.546  -0.785
  337   2HE   LYS  40           HE1      LYS  40  84.518   1.183  -0.383
  338   1HZ   LYS  40           HZ2      LYS  40  83.936   0.477   1.945
  339   2HZ   LYS  40           HZ1      LYS  40  84.314  -1.113   1.482
  340   3HZ   LYS  40           HZ3      LYS  40  85.512   0.087   1.441
  341    H    GLU  41           HN       GLU  41  79.353  -0.145  -5.439
  342    HA   GLU  41           HA       GLU  41  77.111  -0.309  -6.151
  343   1HB   GLU  41           HB2      GLU  41  76.301  -2.491  -5.748
  344   2HB   GLU  41           HB1      GLU  41  78.045  -2.658  -5.547
  345   1HG   GLU  41           HG2      GLU  41  77.879  -2.647  -3.190
  346   2HG   GLU  41           HG1      GLU  41  76.218  -2.063  -3.222
  347    H    ALA  42           HN       ALA  42  77.760   1.299  -3.668
  348    HA   ALA  42           HA       ALA  42  75.641   1.072  -1.752
  349   1HB   ALA  42           HB1      ALA  42  77.738   2.976  -2.635
  350   2HB   ALA  42           HB3      ALA  42  76.344   3.734  -1.862
  351   3HB   ALA  42           HB2      ALA  42  77.275   2.510  -0.999
  352    H    GLU  43           HN       GLU  43  75.669   1.756  -5.034
  353    HA   GLU  43           HA       GLU  43  73.561   3.780  -5.174
  354   1HB   GLU  43           HB2      GLU  43  75.335   3.075  -6.920
  355   2HB   GLU  43           HB1      GLU  43  74.261   1.715  -7.257
  356   1HG   GLU  43           HG2      GLU  43  73.236   3.133  -8.700
  357   2HG   GLU  43           HG1      GLU  43  72.500   3.814  -7.249
  358    H    ALA  44           HN       ALA  44  73.708   0.246  -5.516
  359    HA   ALA  44           HA       ALA  44  71.031  -0.099  -6.274
  360   1HB   ALA  44           HB2      ALA  44  73.024  -1.837  -4.805
  361   2HB   ALA  44           HB1      ALA  44  71.451  -2.448  -5.316
  362   3HB   ALA  44           HB3      ALA  44  72.611  -1.885  -6.519
  363    H    LYS  45           HN       LYS  45  72.358  -0.696  -2.976
  364    HA   LYS  45           HA       LYS  45  69.907  -0.965  -1.642
  365   1HB   LYS  45           HB2      LYS  45  71.986  -1.272  -0.467
  366   2HB   LYS  45           HB1      LYS  45  72.497   0.388  -0.822
  367   1HG   LYS  45           HG2      LYS  45  70.633   1.265   0.529
  368   2HG   LYS  45           HG1      LYS  45  70.084  -0.378   0.861
  369   1HD   LYS  45           HD2      LYS  45  71.812  -0.811   2.330
  370   2HD   LYS  45           HD1      LYS  45  72.929   0.275   1.503
  371   1HE   LYS  45           HE2      LYS  45  72.201   2.132   2.668
  372   2HE   LYS  45           HE1      LYS  45  70.543   1.519   2.807
  373   1HZ   LYS  45           HZ1      LYS  45  72.171  -0.315   4.100
  374   2HZ   LYS  45           HZ3      LYS  45  72.696   1.211   4.623
  375   3HZ   LYS  45           HZ2      LYS  45  71.070   0.763   4.815
  376    H    PHE  46           HN       PHE  46  71.424   1.846  -3.030
  377    HA   PHE  46           HA       PHE  46  69.914   3.899  -1.716
  378   1HB   PHE  46           HB2      PHE  46  71.891   3.593  -3.741
  379   2HB   PHE  46           HB1      PHE  46  70.587   4.558  -4.435
  380    HD1  PHE  46           HD1      PHE  46  71.614   4.352  -0.870
  381    HD2  PHE  46           HD2      PHE  46  71.511   6.738  -4.437
  382    HE1  PHE  46           HE1      PHE  46  72.387   6.322   0.429
  383    HE2  PHE  46           HE2      PHE  46  72.286   8.711  -3.142
  384    HZ   PHE  46           HZ       PHE  46  72.722   8.502  -0.708
  385    H    LYS  47           HN       LYS  47  69.430   2.344  -4.942
  386    HA   LYS  47           HA       LYS  47  66.769   3.622  -5.075
  387   1HB   LYS  47           HB2      LYS  47  66.953   3.142  -7.320
  388   2HB   LYS  47           HB1      LYS  47  68.653   2.920  -6.919
  389   1HG   LYS  47           HG2      LYS  47  66.631   0.670  -6.838
  390   2HG   LYS  47           HG1      LYS  47  67.611   1.039  -8.255
  391   1HD   LYS  47           HD2      LYS  47  69.500   0.993  -6.261
  392   2HD   LYS  47           HD1      LYS  47  68.382  -0.266  -5.736
  393   1HE   LYS  47           HE2      LYS  47  69.964  -1.358  -7.191
  394   2HE   LYS  47           HE1      LYS  47  68.482  -1.161  -8.149
  395   1HZ   LYS  47           HZ2      LYS  47  70.600   0.907  -8.077
  396   2HZ   LYS  47           HZ1      LYS  47  70.620  -0.354  -9.216
  397   3HZ   LYS  47           HZ3      LYS  47  69.328   0.746  -9.192
  398    H    GLU  48           HN       GLU  48  68.187   0.612  -4.103
  399    HA   GLU  48           HA       GLU  48  66.069  -1.237  -4.281
  400   1HB   GLU  48           HB2      GLU  48  68.262  -0.589  -2.331
  401   2HB   GLU  48           HB1      GLU  48  67.079  -1.810  -1.880
  402   1HG   GLU  48           HG2      GLU  48  68.804  -1.822  -4.369
  403   2HG   GLU  48           HG1      GLU  48  68.987  -2.880  -2.970
  404    H    ILE  49           HN       ILE  49  66.658   1.521  -2.278
  405    HA   ILE  49           HA       ILE  49  64.377   1.192  -0.478
  406    HB   ILE  49           HB       ILE  49  66.079   3.562  -1.236
  407   1HG1  ILE  49          HG12      ILE  49  66.476   1.958   1.254
  408   2HG1  ILE  49          HG11      ILE  49  67.117   1.329  -0.265
  409   1HG2  ILE  49          HG22      ILE  49  64.323   3.020   1.150
  410   2HG2  ILE  49          HG21      ILE  49  65.439   4.380   1.024
  411   3HG2  ILE  49          HG23      ILE  49  64.076   4.253  -0.088
  412   1HD1  ILE  49          HD11      ILE  49  68.266   3.533  -0.618
  413   2HD1  ILE  49          HD13      ILE  49  67.732   4.019   0.991
  414   3HD1  ILE  49          HD12      ILE  49  68.844   2.664   0.802
  415    H    LYS  50           HN       LYS  50  65.213   3.264  -3.244
  416    HA   LYS  50           HA       LYS  50  62.660   4.590  -3.443
  417   1HB   LYS  50           HB2      LYS  50  64.909   5.283  -4.401
  418   2HB   LYS  50           HB1      LYS  50  64.696   4.028  -5.623
  419   1HG   LYS  50           HG2      LYS  50  62.273   5.506  -5.532
  420   2HG   LYS  50           HG1      LYS  50  63.590   6.679  -5.577
  421   1HD   LYS  50           HD2      LYS  50  63.863   6.270  -7.769
  422   2HD   LYS  50           HD1      LYS  50  64.256   4.592  -7.393
  423   1HE   LYS  50           HE2      LYS  50  62.382   4.199  -8.684
  424   2HE   LYS  50           HE1      LYS  50  61.548   4.503  -7.146
  425   1HZ   LYS  50           HZ2      LYS  50  61.562   6.894  -7.724
  426   2HZ   LYS  50           HZ1      LYS  50  62.175   6.496  -9.258
  427   3HZ   LYS  50           HZ3      LYS  50  60.634   5.958  -8.797
  428    H    GLU  51           HN       GLU  51  63.528   1.391  -3.996
  429    HA   GLU  51           HA       GLU  51  61.625   0.900  -6.200
  430   1HB   GLU  51           HB2      GLU  51  63.768  -0.262  -6.112
  431   2HB   GLU  51           HB1      GLU  51  63.432  -0.810  -4.470
  432   1HG   GLU  51           HG2      GLU  51  61.682  -2.252  -5.193
  433   2HG   GLU  51           HG1      GLU  51  61.616  -1.500  -6.787
  434    H    ALA  52           HN       ALA  52  62.055   0.277  -2.734
  435    HA   ALA  52           HA       ALA  52  60.053  -1.403  -1.938
  436   1HB   ALA  52           HB3      ALA  52  61.589  -0.067  -0.512
  437   2HB   ALA  52           HB2      ALA  52  60.631   1.375  -0.845
  438   3HB   ALA  52           HB1      ALA  52  59.926   0.039   0.065
  439    H    TYR  53           HN       TYR  53  59.567   1.786  -3.377
  440    HA   TYR  53           HA       TYR  53  56.825   2.188  -2.692
  441   1HB   TYR  53           HB2      TYR  53  58.475   2.968  -5.115
  442   2HB   TYR  53           HB1      TYR  53  56.914   3.691  -4.687
  443    HD1  TYR  53           HD2      TYR  53  56.647   5.012  -2.660
  444    HD2  TYR  53           HD1      TYR  53  60.435   3.348  -3.744
  445    HE1  TYR  53           HE2      TYR  53  57.751   6.402  -0.954
  446    HE2  TYR  53           HE1      TYR  53  61.548   4.717  -2.036
  447    HH   TYR  53           HH       TYR  53  60.786   5.853   0.188
  448    H    GLU  54           HN       GLU  54  58.367   0.066  -4.979
  449    HA   GLU  54           HA       GLU  54  56.212  -0.508  -6.746
  450   1HB   GLU  54           HB2      GLU  54  57.415  -2.746  -6.848
  451   2HB   GLU  54           HB1      GLU  54  58.475  -1.350  -7.066
  452   1HG   GLU  54           HG2      GLU  54  59.705  -2.087  -5.329
  453   2HG   GLU  54           HG1      GLU  54  58.325  -1.753  -4.280
  454    H    VAL  55           HN       VAL  55  56.636  -1.045  -3.358
  455    HA   VAL  55           HA       VAL  55  54.211  -2.756  -3.347
  456    HB   VAL  55           HB       VAL  55  55.861  -4.289  -2.769
  457   1HG1  VAL  55          HG13      VAL  55  57.609  -2.343  -2.645
  458   2HG1  VAL  55          HG12      VAL  55  57.336  -2.495  -0.913
  459   3HG1  VAL  55          HG11      VAL  55  57.909  -3.872  -1.841
  460   1HG2  VAL  55          HG22      VAL  55  54.930  -2.960  -0.226
  461   2HG2  VAL  55          HG21      VAL  55  54.378  -4.474  -0.940
  462   3HG2  VAL  55          HG23      VAL  55  55.969  -4.372  -0.196
  463    H    LEU  56           HN       LEU  56  56.163  -1.134  -0.834
  464    HA   LEU  56           HA       LEU  56  54.291  -0.605   1.047
  465   1HB   LEU  56           HB2      LEU  56  55.682   1.191   1.735
  466   2HB   LEU  56           HB1      LEU  56  56.740   0.062   0.882
  467    HG   LEU  56           HG       LEU  56  55.921   1.579  -1.193
  468   1HD1  LEU  56          HD12      LEU  56  55.678   3.218   1.314
  469   2HD1  LEU  56          HD11      LEU  56  56.196   3.982  -0.189
  470   3HD1  LEU  56          HD13      LEU  56  54.623   3.189  -0.099
  471   1HD2  LEU  56          HD22      LEU  56  58.252   0.991  -0.285
  472   2HD2  LEU  56          HD21      LEU  56  58.100   2.536  -1.122
  473   3HD2  LEU  56          HD23      LEU  56  58.144   2.483   0.637
  474    H    THR  57           HN       THR  57  54.366   1.070  -2.079
  475    HA   THR  57           HA       THR  57  52.301   2.973  -1.142
  476    HB   THR  57           HB       THR  57  52.603   3.918  -3.395
  477    HG1  THR  57           HG1      THR  57  54.632   2.345  -4.193
  478   1HG2  THR  57          HG23      THR  57  54.255   4.407  -1.567
  479   2HG2  THR  57          HG22      THR  57  55.278   3.124  -2.210
  480   3HG2  THR  57          HG21      THR  57  54.934   4.550  -3.188
  481    H    ASP  58           HN       ASP  58  51.630   0.106  -1.173
  482    HA   ASP  58           HA       ASP  58  49.175   0.264  -2.806
  483   1HB   ASP  58           HB2      ASP  58  51.555  -1.108  -3.601
  484   2HB   ASP  58           HB1      ASP  58  50.326  -2.315  -3.222
  485    H    SER  59           HN       SER  59  47.587  -0.360  -1.557
  486    HA   SER  59           HA       SER  59  47.836  -1.366   1.010
  487   1HB   SER  59           HB2      SER  59  45.691  -1.426  -1.089
  488   2HB   SER  59           HB1      SER  59  45.409  -2.230   0.452
  489    HG   SER  59           HG       SER  59  44.941  -0.305   1.145
  490    H    GLN  60           HN       GLN  60  47.278  -3.227  -1.987
  491    HA   GLN  60           HA       GLN  60  47.265  -5.826  -0.749
  492   1HB   GLN  60           HB2      GLN  60  46.463  -5.174  -3.053
  493   2HB   GLN  60           HB1      GLN  60  48.151  -5.005  -3.537
  494   1HG   GLN  60           HG2      GLN  60  48.472  -7.415  -2.731
  495   2HG   GLN  60           HG1      GLN  60  46.712  -7.518  -2.666
  496   1HE2  GLN  60          HE22      GLN  60  48.585  -7.787  -6.234
  497   2HE2  GLN  60          HE21      GLN  60  49.441  -7.712  -4.770
  498    H    LYS  61           HN       LYS  61  49.789  -3.684  -1.901
  499    HA   LYS  61           HA       LYS  61  52.013  -5.546  -1.778
  500   1HB   LYS  61           HB2      LYS  61  51.585  -2.575  -1.882
  501   2HB   LYS  61           HB1      LYS  61  53.192  -3.265  -1.741
  502   1HG   LYS  61           HG2      LYS  61  52.188  -2.763  -4.126
  503   2HG   LYS  61           HG1      LYS  61  53.141  -4.215  -3.854
  504   1HD   LYS  61           HD2      LYS  61  50.945  -5.430  -3.394
  505   2HD   LYS  61           HD1      LYS  61  50.122  -3.990  -3.991
  506   1HE   LYS  61           HE2      LYS  61  52.189  -5.569  -5.564
  507   2HE   LYS  61           HE1      LYS  61  50.432  -5.672  -5.799
  508   1HZ   LYS  61           HZ2      LYS  61  50.514  -3.159  -5.977
  509   2HZ   LYS  61           HZ1      LYS  61  52.194  -3.322  -6.172
  510   3HZ   LYS  61           HZ3      LYS  61  51.137  -4.028  -7.296
  511    H    ARG  62           HN       ARG  62  51.421  -2.674   0.274
  512    HA   ARG  62           HA       ARG  62  53.176  -3.347   2.339
  513   1HB   ARG  62           HB2      ARG  62  51.720  -1.870   3.706
  514   2HB   ARG  62           HB1      ARG  62  51.923  -1.213   2.081
  515   1HG   ARG  62           HG2      ARG  62  49.761  -1.782   1.432
  516   2HG   ARG  62           HG1      ARG  62  49.627  -3.059   2.638
  517   1HD   ARG  62           HD2      ARG  62  50.023  -0.739   4.155
  518   2HD   ARG  62           HD1      ARG  62  48.893  -0.252   2.876
  519    HE   ARG  62           HE       ARG  62  47.658  -2.458   3.520
  520   1HH1  ARG  62          HH21      ARG  62  49.591  -2.967   5.811
  521   2HH1  ARG  62          HH22      ARG  62  48.692  -2.352   7.158
  522   1HH2  ARG  62          HH11      ARG  62  46.445  -0.587   5.190
  523   2HH2  ARG  62          HH12      ARG  62  46.908  -1.007   6.806
  524    H    ALA  63           HN       ALA  63  50.099  -4.703   1.535
  525    HA   ALA  63           HA       ALA  63  49.857  -6.182   4.092
  526   1HB   ALA  63           HB2      ALA  63  48.227  -6.012   1.535
  527   2HB   ALA  63           HB1      ALA  63  47.775  -7.021   2.909
  528   3HB   ALA  63           HB3      ALA  63  47.843  -5.268   3.087
  529    H    ALA  64           HN       ALA  64  51.000  -6.538   0.847
  530    HA   ALA  64           HA       ALA  64  51.077  -9.489   0.937
  531   1HB   ALA  64           HB2      ALA  64  51.821  -7.310  -1.018
  532   2HB   ALA  64           HB1      ALA  64  52.267  -8.990  -1.317
  533   3HB   ALA  64           HB3      ALA  64  50.567  -8.540  -1.176
  534    H    TYR  65           HN       TYR  65  53.473  -6.826   0.596
  535    HA   TYR  65           HA       TYR  65  55.750  -8.545   1.004
  536   1HB   TYR  65           HB2      TYR  65  55.081  -5.635   0.902
  537   2HB   TYR  65           HB1      TYR  65  56.657  -6.090   1.575
  538    HD1  TYR  65           HD2      TYR  65  54.861  -8.079  -0.969
  539    HD2  TYR  65           HD1      TYR  65  58.009  -5.246  -0.265
  540    HE1  TYR  65           HE2      TYR  65  55.728  -8.476  -3.257
  541    HE2  TYR  65           HE1      TYR  65  58.879  -5.644  -2.554
  542    HH   TYR  65           HH       TYR  65  57.917  -6.456  -4.766
  543    H    ASP  66           HN       ASP  66  53.468  -7.073   3.169
  544    HA   ASP  66           HA       ASP  66  54.996  -6.778   5.533
  545   1HB   ASP  66           HB2      ASP  66  52.904  -6.146   6.145
  546   2HB   ASP  66           HB1      ASP  66  52.267  -6.846   4.663
  547    H    GLN  67           HN       GLN  67  53.470  -9.655   4.117
  548    HA   GLN  67           HA       GLN  67  54.758 -11.361   6.210
  549   1HB   GLN  67           HB2      GLN  67  52.631 -12.013   4.147
  550   2HB   GLN  67           HB1      GLN  67  53.076 -12.988   5.548
  551   1HG   GLN  67           HG2      GLN  67  52.485 -10.783   6.880
  552   2HG   GLN  67           HG1      GLN  67  51.535 -10.420   5.439
  553   1HE2  GLN  67          HE22      GLN  67  49.076 -12.887   6.105
  554   2HE2  GLN  67          HE21      GLN  67  49.668 -11.757   4.987
  555    H    TYR  68           HN       TYR  68  55.393 -10.198   3.163
  556    HA   TYR  68           HA       TYR  68  56.934 -10.884   1.505
  557   1HB   TYR  68           HB2      TYR  68  57.594 -12.204   4.009
  558   2HB   TYR  68           HB1      TYR  68  58.026 -13.220   2.631
  559    HD1  TYR  68           HD1      TYR  68  58.100  -9.548   3.456
  560    HD2  TYR  68           HD2      TYR  68  60.189 -12.944   1.859
  561    HE1  TYR  68           HE1      TYR  68  60.085  -8.124   3.019
  562    HE2  TYR  68           HE2      TYR  68  62.174 -11.521   1.422
  563    HH   TYR  68           HH       TYR  68  63.087  -9.513   1.689
  564    H    GLY  69           HN       GLY  69  54.127 -12.051   1.777
  565   1HA   GLY  69           HA2      GLY  69  53.134 -13.386  -0.028
  566   2HA   GLY  69           HA1      GLY  69  54.586 -14.388  -0.021
  567    H    HIS  70           HN       HIS  70  52.014 -15.521   0.219
  568    HA   HIS  70           HA       HIS  70  51.246 -15.980   2.961
  569   1HB   HIS  70           HB2      HIS  70  49.815 -17.674   1.954
  570   2HB   HIS  70           HB1      HIS  70  49.857 -16.273   0.879
  571    HD1  HIS  70           HD1      HIS  70  51.737 -19.572   1.308
  572    HD2  HIS  70           HD2      HIS  70  50.566 -16.938  -1.703
  573    HE1  HIS  70           HE1      HIS  70  52.437 -20.632  -0.882
  574    H    ALA  71           HN       ALA  71  53.968 -16.980   1.246
  575    HA   ALA  71           HA       ALA  71  54.324 -19.683   2.109
  576   1HB   ALA  71           HB2      ALA  71  55.576 -18.060   0.419
  577   2HB   ALA  71           HB1      ALA  71  56.601 -17.753   1.821
  578   3HB   ALA  71           HB3      ALA  71  56.443 -19.391   1.186
  579    H    ALA  72           HN       ALA  72  55.156 -16.565   3.623
  580    HA   ALA  72           HA       ALA  72  56.705 -17.485   5.801
  581   1HB   ALA  72           HB3      ALA  72  54.880 -15.192   5.201
  582   2HB   ALA  72           HB2      ALA  72  55.402 -15.402   6.873
  583   3HB   ALA  72           HB1      ALA  72  56.599 -15.177   5.597
  584    H    PHE  73           HN       PHE  73  53.352 -17.975   5.112
  585    HA   PHE  73           HA       PHE  73  52.760 -18.725   7.944
  586   1HB   PHE  73           HB2      PHE  73  51.324 -17.661   5.628
  587   2HB   PHE  73           HB1      PHE  73  50.473 -19.017   6.373
  588    HD1  PHE  73           HD2      PHE  73  52.753 -16.733   8.185
  589    HD2  PHE  73           HD1      PHE  73  48.664 -17.759   7.364
  590    HE1  PHE  73           HE2      PHE  73  52.010 -15.252  10.031
  591    HE2  PHE  73           HE1      PHE  73  47.922 -16.279   9.209
  592    HZ   PHE  73           HZ       PHE  73  49.595 -15.025  10.542
  593    H    GLU  74           HN       GLU  74  52.541 -20.032   4.616
  594    HA   GLU  74           HA       GLU  74  52.787 -22.778   5.777
  595   1HB   GLU  74           HB2      GLU  74  50.904 -22.008   3.533
  596   2HB   GLU  74           HB1      GLU  74  50.937 -23.520   4.440
  597   1HG   GLU  74           HG2      GLU  74  50.168 -22.433   6.442
  598   2HG   GLU  74           HG1      GLU  74  50.380 -20.835   5.725
  599    H    GLN  75           HN       GLN  75  53.669 -24.334   4.218
  600    HA   GLN  75           HA       GLN  75  54.667 -23.305   1.634
  601   1HB   GLN  75           HB2      GLN  75  56.197 -23.337   4.098
  602   2HB   GLN  75           HB1      GLN  75  56.952 -24.380   2.892
  603   1HG   GLN  75           HG2      GLN  75  56.905 -22.546   1.254
  604   2HG   GLN  75           HG1      GLN  75  56.120 -21.499   2.436
  605   1HE2  GLN  75          HE22      GLN  75  59.177 -21.502   4.532
  606   2HE2  GLN  75          HE21      GLN  75  57.533 -21.862   4.752
  607    H    GLY  76           HN       GLY  76  53.541 -25.063   0.660
  608   1HA   GLY  76           HA2      GLY  76  54.474 -27.791   1.454
  609   2HA   GLY  76           HA1      GLY  76  52.921 -27.466   0.681
  610    H    GLY  77           HN       GLY  77  53.976 -25.573  -1.256
  611   1HA   GLY  77           HA2      GLY  77  55.723 -25.650  -3.040
  612   2HA   GLY  77           HA1      GLY  77  55.647 -27.409  -2.927
   
  No H/Q in entry =         612
  Start of MODEL   20
    1   1H    ALA   1           HT3      ALA   1  64.966 -15.179   5.964
    2   2H    ALA   1           HT2      ALA   1  65.050 -15.382   7.648
    3   3H    ALA   1           HT1      ALA   1  64.042 -14.187   6.982
    4    HA   ALA   1           HA       ALA   1  65.768 -12.826   7.485
    5   1HB   ALA   1           HB1      ALA   1  67.009 -15.493   7.671
    6   2HB   ALA   1           HB3      ALA   1  68.135 -14.208   7.231
    7   3HB   ALA   1           HB2      ALA   1  67.202 -14.092   8.723
    8    H    LYS   2           HN       LYS   2  64.843 -12.353   5.162
    9    HA   LYS   2           HA       LYS   2  67.057 -12.661   3.158
   10   1HB   LYS   2           HB2      LYS   2  64.580 -13.672   2.972
   11   2HB   LYS   2           HB1      LYS   2  64.237 -12.047   2.377
   12   1HG   LYS   2           HG2      LYS   2  66.683 -13.128   1.216
   13   2HG   LYS   2           HG1      LYS   2  65.288 -14.155   0.880
   14   1HD   LYS   2           HD2      LYS   2  64.365 -11.523   0.525
   15   2HD   LYS   2           HD1      LYS   2  65.956 -11.564  -0.237
   16   1HE   LYS   2           HE2      LYS   2  64.093 -13.855  -0.759
   17   2HE   LYS   2           HE1      LYS   2  63.808 -12.322  -1.607
   18   1HZ   LYS   2           HZ3      LYS   2  66.522 -13.470  -1.410
   19   2HZ   LYS   2           HZ2      LYS   2  65.460 -13.968  -2.640
   20   3HZ   LYS   2           HZ1      LYS   2  65.928 -12.339  -2.525
   21    H    GLN   3           HN       GLN   3  66.517 -10.767   1.361
   22    HA   GLN   3           HA       GLN   3  66.958  -8.260   2.826
   23   1HB   GLN   3           HB2      GLN   3  67.752  -9.383   0.415
   24   2HB   GLN   3           HB1      GLN   3  66.602  -8.141  -0.083
   25   1HG   GLN   3           HG2      GLN   3  67.995  -6.457   0.509
   26   2HG   GLN   3           HG1      GLN   3  68.424  -7.236   2.032
   27   1HE2  GLN   3          HE22      GLN   3  70.600  -8.281  -1.310
   28   2HE2  GLN   3          HE21      GLN   3  68.965  -7.862  -1.490
   29    H    ASP   4           HN       ASP   4  65.148  -7.271   3.628
   30    HA   ASP   4           HA       ASP   4  62.674  -7.228   1.941
   31   1HB   ASP   4           HB2      ASP   4  62.268  -6.189   4.585
   32   2HB   ASP   4           HB1      ASP   4  61.605  -7.661   3.889
   33    H    TYR   5           HN       TYR   5  62.417  -5.433   0.827
   34    HA   TYR   5           HA       TYR   5  63.912  -3.070   1.064
   35   1HB   TYR   5           HB2      TYR   5  61.460  -2.178   0.129
   36   2HB   TYR   5           HB1      TYR   5  62.757  -2.857  -0.850
   37    HD1  TYR   5           HD2      TYR   5  59.793  -3.866   1.168
   38    HD2  TYR   5           HD1      TYR   5  62.437  -4.772  -2.080
   39    HE1  TYR   5           HE2      TYR   5  58.335  -5.782   0.527
   40    HE2  TYR   5           HE1      TYR   5  60.989  -6.691  -2.733
   41    HH   TYR   5           HH       TYR   5  57.948  -7.071  -1.871
   42    H    TYR   6           HN       TYR   6  60.829  -3.907   2.690
   43    HA   TYR   6           HA       TYR   6  60.369  -1.446   4.011
   44   1HB   TYR   6           HB2      TYR   6  59.940  -4.344   4.676
   45   2HB   TYR   6           HB1      TYR   6  59.547  -3.101   5.867
   46    HD1  TYR   6           HD1      TYR   6  57.849  -1.375   5.384
   47    HD2  TYR   6           HD2      TYR   6  58.654  -4.570   2.629
   48    HE1  TYR   6           HE1      TYR   6  55.729  -0.883   4.201
   49    HE2  TYR   6           HE2      TYR   6  56.534  -4.078   1.445
   50    HH   TYR   6           HH       TYR   6  54.885  -2.528   1.193
   51    H    GLU   7           HN       GLU   7  62.812  -3.876   4.328
   52    HA   GLU   7           HA       GLU   7  63.945  -2.740   6.815
   53   1HB   GLU   7           HB2      GLU   7  63.828  -5.239   6.022
   54   2HB   GLU   7           HB1      GLU   7  65.201  -4.804   5.002
   55   1HG   GLU   7           HG2      GLU   7  66.541  -4.210   6.884
   56   2HG   GLU   7           HG1      GLU   7  65.151  -4.228   7.969
   57    H    ILE   8           HN       ILE   8  64.471  -2.801   3.303
   58    HA   ILE   8           HA       ILE   8  67.036  -1.752   3.032
   59    HB   ILE   8           HB       ILE   8  64.443  -1.410   1.561
   60   1HG1  ILE   8          HG12      ILE   8  65.497  -2.739  -0.081
   61   2HG1  ILE   8          HG11      ILE   8  67.112  -2.264   0.436
   62   1HG2  ILE   8          HG22      ILE   8  66.950   0.214   1.173
   63   2HG2  ILE   8          HG21      ILE   8  65.924  -0.185  -0.206
   64   3HG2  ILE   8          HG23      ILE   8  65.269   0.746   1.140
   65   1HD1  ILE   8          HD12      ILE   8  66.726  -3.536   2.573
   66   2HD1  ILE   8          HD11      ILE   8  65.210  -4.115   1.891
   67   3HD1  ILE   8          HD13      ILE   8  66.738  -4.553   1.133
   68    H    LEU   9           HN       LEU   9  64.009   0.005   3.512
   69    HA   LEU   9           HA       LEU   9  65.228   2.648   3.861
   70   1HB   LEU   9           HB2      LEU   9  62.529   1.355   4.270
   71   2HB   LEU   9           HB1      LEU   9  62.796   3.077   4.560
   72    HG   LEU   9           HG       LEU   9  63.819   1.998   2.009
   73   1HD1  LEU   9          HD12      LEU   9  60.952   1.891   2.809
   74   2HD1  LEU   9          HD11      LEU   9  61.315   2.465   1.182
   75   3HD1  LEU   9          HD13      LEU   9  61.842   0.861   1.689
   76   1HD2  LEU   9          HD21      LEU   9  62.497   4.477   3.056
   77   2HD2  LEU   9          HD23      LEU   9  64.040   4.320   2.229
   78   3HD2  LEU   9          HD22      LEU   9  62.535   4.189   1.319
   79    H    GLY  10           HN       GLY  10  64.800  -0.105   5.841
   80   1HA   GLY  10           HA2      GLY  10  65.507  -0.386   8.091
   81   2HA   GLY  10           HA1      GLY  10  65.673   1.369   8.226
   82    H    VAL  11           HN       VAL  11  62.763   0.278   6.772
   83    HA   VAL  11           HA       VAL  11  61.277   1.132   9.220
   84    HB   VAL  11           HB       VAL  11  59.597   0.556   6.955
   85   1HG1  VAL  11          HG11      VAL  11  60.437   3.087   8.365
   86   2HG1  VAL  11          HG13      VAL  11  59.145   3.009   7.167
   87   3HG1  VAL  11          HG12      VAL  11  59.003   2.111   8.680
   88   1HG2  VAL  11          HG23      VAL  11  62.147   1.966   6.314
   89   2HG2  VAL  11          HG22      VAL  11  61.127   0.943   5.302
   90   3HG2  VAL  11          HG21      VAL  11  60.652   2.605   5.640
   91    H    SER  12           HN       SER  12  59.064  -0.060   9.396
   92    HA   SER  12           HA       SER  12  59.627  -2.923   9.733
   93   1HB   SER  12           HB2      SER  12  58.442  -1.536  11.423
   94   2HB   SER  12           HB1      SER  12  57.169  -1.221  10.247
   95    HG   SER  12           HG       SER  12  56.351  -2.973  11.098
   96    H    LYS  13           HN       LYS  13  58.474  -4.586   8.603
   97    HA   LYS  13           HA       LYS  13  57.949  -4.253   5.893
   98   1HB   LYS  13           HB2      LYS  13  56.943  -6.389   6.016
   99   2HB   LYS  13           HB1      LYS  13  58.153  -6.345   7.297
  100   1HG   LYS  13           HG2      LYS  13  56.382  -5.727   8.928
  101   2HG   LYS  13           HG1      LYS  13  55.181  -5.843   7.641
  102   1HD   LYS  13           HD2      LYS  13  56.369  -8.253   7.357
  103   2HD   LYS  13           HD1      LYS  13  56.618  -8.005   9.086
  104   1HE   LYS  13           HE2      LYS  13  53.897  -7.378   8.028
  105   2HE   LYS  13           HE1      LYS  13  54.348  -9.091   8.140
  106   1HZ   LYS  13           HZ1      LYS  13  55.049  -7.328  10.370
  107   2HZ   LYS  13           HZ3      LYS  13  53.427  -7.799  10.223
  108   3HZ   LYS  13           HZ2      LYS  13  54.641  -8.977  10.382
  109    H    THR  14           HN       THR  14  56.009  -3.272   8.573
  110    HA   THR  14           HA       THR  14  53.716  -2.676   6.746
  111    HB   THR  14           HB       THR  14  52.338  -3.002   8.622
  112    HG1  THR  14           HG1      THR  14  53.187  -2.850  10.750
  113   1HG2  THR  14          HG22      THR  14  53.487  -5.111   8.045
  114   2HG2  THR  14          HG21      THR  14  54.775  -4.719   9.185
  115   3HG2  THR  14          HG23      THR  14  53.142  -5.032   9.774
  116    H    ALA  15           HN       ALA  15  56.407  -1.202   7.680
  117    HA   ALA  15           HA       ALA  15  56.166   1.093   9.091
  118   1HB   ALA  15           HB2      ALA  15  57.275   0.560   6.365
  119   2HB   ALA  15           HB1      ALA  15  57.535   2.098   7.187
  120   3HB   ALA  15           HB3      ALA  15  58.115   0.604   7.916
  121    H    GLU  16           HN       GLU  16  56.161   2.506   6.115
  122    HA   GLU  16           HA       GLU  16  53.529   3.029   5.333
  123   1HB   GLU  16           HB2      GLU  16  54.298   4.139   7.941
  124   2HB   GLU  16           HB1      GLU  16  53.674   5.366   6.832
  125   1HG   GLU  16           HG2      GLU  16  52.132   2.860   6.818
  126   2HG   GLU  16           HG1      GLU  16  52.114   3.701   8.368
  127    H    GLU  17           HN       GLU  17  53.775   4.208   3.461
  128    HA   GLU  17           HA       GLU  17  56.044   5.064   2.245
  129   1HB   GLU  17           HB2      GLU  17  54.561   6.825   1.161
  130   2HB   GLU  17           HB1      GLU  17  53.913   5.186   1.166
  131   1HG   GLU  17           HG2      GLU  17  52.774   5.874   3.397
  132   2HG   GLU  17           HG1      GLU  17  53.116   7.528   2.888
  133    H    ARG  18           HN       ARG  18  54.173   7.231   4.403
  134    HA   ARG  18           HA       ARG  18  55.803   9.510   4.266
  135   1HB   ARG  18           HB2      ARG  18  54.827   9.939   6.552
  136   2HB   ARG  18           HB1      ARG  18  53.634   9.435   5.355
  137   1HG   ARG  18           HG2      ARG  18  53.817   7.099   6.166
  138   2HG   ARG  18           HG1      ARG  18  54.983   7.622   7.378
  139   1HD   ARG  18           HD2      ARG  18  52.270   8.932   7.220
  140   2HD   ARG  18           HD1      ARG  18  52.496   7.415   8.113
  141    HE   ARG  18           HE       ARG  18  53.751  10.014   8.787
  142   1HH1  ARG  18          HH21      ARG  18  55.985   8.647   9.491
  143   2HH1  ARG  18          HH22      ARG  18  55.636   7.767  10.941
  144   1HH2  ARG  18          HH11      ARG  18  52.195   8.004  10.570
  145   2HH2  ARG  18          HH12      ARG  18  53.488   7.404  11.552
  146    H    GLU  19           HN       GLU  19  56.212   6.691   6.368
  147    HA   GLU  19           HA       GLU  19  58.638   7.813   7.576
  148   1HB   GLU  19           HB2      GLU  19  58.457   5.615   8.850
  149   2HB   GLU  19           HB1      GLU  19  57.094   6.702   9.055
  150   1HG   GLU  19           HG2      GLU  19  55.746   5.423   7.537
  151   2HG   GLU  19           HG1      GLU  19  57.137   4.481   6.998
  152    H    ILE  20           HN       ILE  20  57.621   5.854   4.971
  153    HA   ILE  20           HA       ILE  20  60.142   4.333   4.723
  154    HB   ILE  20           HB       ILE  20  57.729   4.762   2.928
  155   1HG1  ILE  20          HG12      ILE  20  57.475   3.546   5.195
  156   2HG1  ILE  20          HG11      ILE  20  56.893   2.702   3.762
  157   1HG2  ILE  20          HG22      ILE  20  60.300   3.725   2.332
  158   2HG2  ILE  20          HG21      ILE  20  59.197   2.356   2.381
  159   3HG2  ILE  20          HG23      ILE  20  58.870   3.711   1.306
  160   1HD1  ILE  20          HD11      ILE  20  59.684   2.115   4.147
  161   2HD1  ILE  20          HD13      ILE  20  58.805   1.798   5.640
  162   3HD1  ILE  20          HD12      ILE  20  58.317   1.004   4.145
  163    H    ARG  21           HN       ARG  21  58.347   6.777   2.838
  164    HA   ARG  21           HA       ARG  21  60.417   7.543   1.058
  165   1HB   ARG  21           HB2      ARG  21  59.093   9.585   0.841
  166   2HB   ARG  21           HB1      ARG  21  57.972   8.245   1.089
  167   1HG   ARG  21           HG2      ARG  21  57.180   9.848   2.608
  168   2HG   ARG  21           HG1      ARG  21  58.213   8.843   3.624
  169   1HD   ARG  21           HD2      ARG  21  59.703  10.534   3.974
  170   2HD   ARG  21           HD1      ARG  21  59.638  11.054   2.279
  171    HE   ARG  21           HE       ARG  21  57.220  11.875   3.035
  172   1HH1  ARG  21          HH11      ARG  21  58.581  11.317   5.863
  173   2HH1  ARG  21          HH12      ARG  21  58.861  12.956   6.347
  174   1HH2  ARG  21          HH21      ARG  21  58.273  14.269   3.190
  175   2HH2  ARG  21          HH22      ARG  21  58.691  14.628   4.832
  176    H    LYS  22           HN       LYS  22  59.898   8.059   4.432
  177    HA   LYS  22           HA       LYS  22  61.719  10.270   4.833
  178   1HB   LYS  22           HB2      LYS  22  59.919   9.913   6.362
  179   2HB   LYS  22           HB1      LYS  22  60.305   8.201   6.534
  180   1HG   LYS  22           HG2      LYS  22  61.022   9.763   8.462
  181   2HG   LYS  22           HG1      LYS  22  62.232   8.645   7.842
  182   1HD   LYS  22           HD2      LYS  22  63.330  10.765   8.028
  183   2HD   LYS  22           HD1      LYS  22  63.013  10.546   6.311
  184   1HE   LYS  22           HE2      LYS  22  61.497  12.262   6.241
  185   2HE   LYS  22           HE1      LYS  22  60.844  11.877   7.846
  186   1HZ   LYS  22           HZ2      LYS  22  63.626  12.740   7.723
  187   2HZ   LYS  22           HZ1      LYS  22  62.454  13.936   7.440
  188   3HZ   LYS  22           HZ3      LYS  22  62.441  13.067   8.895
  189    H    ALA  23           HN       ALA  23  61.942   6.765   5.606
  190    HA   ALA  23           HA       ALA  23  64.518   6.639   6.668
  191   1HB   ALA  23           HB2      ALA  23  62.651   4.886   5.201
  192   2HB   ALA  23           HB1      ALA  23  64.338   4.381   5.090
  193   3HB   ALA  23           HB3      ALA  23  63.574   4.562   6.669
  194    H    TYR  24           HN       TYR  24  63.649   6.497   3.206
  195    HA   TYR  24           HA       TYR  24  66.343   6.399   2.223
  196   1HB   TYR  24           HB2      TYR  24  64.123   5.877   1.058
  197   2HB   TYR  24           HB1      TYR  24  63.859   7.613   0.961
  198    HD1  TYR  24           HD2      TYR  24  67.146   5.887   0.640
  199    HD2  TYR  24           HD1      TYR  24  63.968   7.944  -1.392
  200    HE1  TYR  24           HE2      TYR  24  68.536   6.014  -1.407
  201    HE2  TYR  24           HE1      TYR  24  65.359   8.069  -3.441
  202    HH   TYR  24           HH       TYR  24  68.109   6.234  -3.907
  203    H    LYS  25           HN       LYS  25  63.978   8.927   2.829
  204    HA   LYS  25           HA       LYS  25  65.321  11.251   2.059
  205   1HB   LYS  25           HB2      LYS  25  63.121  10.358   3.617
  206   2HB   LYS  25           HB1      LYS  25  63.981  11.552   4.583
  207   1HG   LYS  25           HG2      LYS  25  63.088  13.199   3.332
  208   2HG   LYS  25           HG1      LYS  25  63.867  12.523   1.900
  209   1HD   LYS  25           HD2      LYS  25  61.996  11.236   1.327
  210   2HD   LYS  25           HD1      LYS  25  61.343  11.290   2.964
  211   1HE   LYS  25           HE2      LYS  25  60.175  12.787   1.208
  212   2HE   LYS  25           HE1      LYS  25  60.664  13.583   2.717
  213   1HZ   LYS  25           HZ1      LYS  25  62.709  13.402   0.666
  214   2HZ   LYS  25           HZ3      LYS  25  61.415  14.433   0.298
  215   3HZ   LYS  25           HZ2      LYS  25  62.328  14.689   1.708
  216    H    ARG  26           HN       ARG  26  65.359   9.800   5.348
  217    HA   ARG  26           HA       ARG  26  67.399  11.584   6.297
  218   1HB   ARG  26           HB2      ARG  26  67.422   9.971   8.237
  219   2HB   ARG  26           HB1      ARG  26  65.843  10.631   7.829
  220   1HG   ARG  26           HG2      ARG  26  65.977   8.378   6.261
  221   2HG   ARG  26           HG1      ARG  26  66.787   7.869   7.741
  222   1HD   ARG  26           HD2      ARG  26  64.578   9.402   8.577
  223   2HD   ARG  26           HD1      ARG  26  63.973   8.328   7.304
  224    HE   ARG  26           HE       ARG  26  64.627   6.432   8.625
  225   1HH1  ARG  26          HH11      ARG  26  66.409   9.111   9.695
  226   2HH1  ARG  26          HH12      ARG  26  66.466   8.616  11.353
  227   1HH2  ARG  26          HH21      ARG  26  64.321   5.928  10.897
  228   2HH2  ARG  26          HH22      ARG  26  65.285   6.810  12.033
  229    H    LEU  27           HN       LEU  27  67.536   8.226   5.079
  230    HA   LEU  27           HA       LEU  27  70.386   7.974   5.672
  231   1HB   LEU  27           HB2      LEU  27  70.081   5.773   4.974
  232   2HB   LEU  27           HB1      LEU  27  68.449   6.194   5.488
  233    HG   LEU  27           HG       LEU  27  68.237   6.966   2.948
  234   1HD1  LEU  27          HD12      LEU  27  70.628   6.426   2.452
  235   2HD1  LEU  27          HD11      LEU  27  70.298   4.740   2.841
  236   3HD1  LEU  27          HD13      LEU  27  69.509   5.496   1.458
  237   1HD2  LEU  27          HD23      LEU  27  68.015   4.227   4.180
  238   2HD2  LEU  27          HD22      LEU  27  66.726   5.336   3.715
  239   3HD2  LEU  27          HD21      LEU  27  67.620   4.461   2.478
  240    H    ALA  28           HN       ALA  28  68.402   8.784   2.880
  241    HA   ALA  28           HA       ALA  28  70.624   8.664   1.002
  242   1HB   ALA  28           HB3      ALA  28  68.142   8.272   0.589
  243   2HB   ALA  28           HB2      ALA  28  67.926  10.015   0.747
  244   3HB   ALA  28           HB1      ALA  28  68.920   9.365  -0.556
  245    H    MET  29           HN       MET  29  68.864  11.246   2.722
  246    HA   MET  29           HA       MET  29  70.265  13.439   1.526
  247   1HB   MET  29           HB2      MET  29  69.488  14.642   3.533
  248   2HB   MET  29           HB1      MET  29  68.215  13.557   2.974
  249   1HG   MET  29           HG2      MET  29  68.193  12.880   5.153
  250   2HG   MET  29           HG1      MET  29  69.568  11.898   4.652
  251   1HE   MET  29           HE1      MET  29  68.184  13.920   7.097
  252   2HE   MET  29           HE3      MET  29  69.243  12.659   7.747
  253   3HE   MET  29           HE2      MET  29  69.542  14.351   8.134
  254    H    LYS  30           HN       LYS  30  71.074  11.068   3.946
  255    HA   LYS  30           HA       LYS  30  73.544  12.463   4.785
  256   1HB   LYS  30           HB2      LYS  30  71.794  10.285   5.669
  257   2HB   LYS  30           HB1      LYS  30  73.504   9.887   5.833
  258   1HG   LYS  30           HG2      LYS  30  73.844  11.446   7.461
  259   2HG   LYS  30           HG1      LYS  30  72.764  12.617   6.701
  260   1HD   LYS  30           HD2      LYS  30  70.844  11.658   7.661
  261   2HD   LYS  30           HD1      LYS  30  71.659  10.128   7.988
  262   1HE   LYS  30           HE2      LYS  30  73.158  12.055   9.391
  263   2HE   LYS  30           HE1      LYS  30  71.458  12.467   9.693
  264   1HZ   LYS  30           HZ2      LYS  30  71.316   9.834   9.822
  265   2HZ   LYS  30           HZ1      LYS  30  72.919  10.028  10.352
  266   3HZ   LYS  30           HZ3      LYS  30  71.654  10.790  11.186
  267    H    TYR  31           HN       TYR  31  72.553  10.203   2.359
  268    HA   TYR  31           HA       TYR  31  75.384   9.288   2.029
  269   1HB   TYR  31           HB2      TYR  31  72.716   8.063   1.756
  270   2HB   TYR  31           HB1      TYR  31  73.839   7.663   0.452
  271    HD1  TYR  31           HD2      TYR  31  76.435   7.748   1.863
  272    HD2  TYR  31           HD1      TYR  31  72.659   6.122   3.100
  273    HE1  TYR  31           HE2      TYR  31  77.611   6.174   3.370
  274    HE2  TYR  31           HE1      TYR  31  73.832   4.547   4.608
  275    HH   TYR  31           HH       TYR  31  77.374   4.635   4.970
  276    H    HIS  32           HN       HIS  32  73.556  11.616   0.937
  277    HA   HIS  32           HA       HIS  32  73.423  11.588  -1.857
  278   1HB   HIS  32           HB2      HIS  32  73.205  13.952  -1.472
  279   2HB   HIS  32           HB1      HIS  32  72.621  13.165  -0.017
  280    HD1  HIS  32           HD1      HIS  32  74.994  12.505   1.608
  281    HD2  HIS  32           HD2      HIS  32  74.848  16.029  -0.615
  282    HE1  HIS  32           HE1      HIS  32  76.654  14.095   2.669
  283    HA   PRO  33           HA       PRO  33  77.429  12.262  -3.481
  284   1HB   PRO  33           HB2      PRO  33  78.076  14.897  -3.892
  285   2HB   PRO  33           HB1      PRO  33  76.978  13.973  -4.937
  286   1HG   PRO  33           HG2      PRO  33  76.344  15.891  -2.757
  287   2HG   PRO  33           HG1      PRO  33  75.562  15.669  -4.328
  288   1HD   PRO  33           HD2      PRO  33  74.541  14.745  -2.035
  289   2HD   PRO  33           HD1      PRO  33  74.272  13.927  -3.584
  290    H    ASP  34           HN       ASP  34  77.532  11.792  -0.886
  291    HA   ASP  34           HA       ASP  34  79.682  13.530   0.267
  292   1HB   ASP  34           HB2      ASP  34  78.395  13.337   2.147
  293   2HB   ASP  34           HB1      ASP  34  77.252  12.336   1.260
  294    H    ARG  35           HN       ARG  35  78.602  10.245  -0.416
  295    HA   ARG  35           HA       ARG  35  81.438   9.329  -0.557
  296   1HB   ARG  35           HB2      ARG  35  80.661   7.249   0.572
  297   2HB   ARG  35           HB1      ARG  35  80.409   8.666   1.592
  298   1HG   ARG  35           HG2      ARG  35  78.348   7.520   1.728
  299   2HG   ARG  35           HG1      ARG  35  78.048   8.755   0.508
  300   1HD   ARG  35           HD2      ARG  35  77.499   7.131  -0.952
  301   2HD   ARG  35           HD1      ARG  35  79.153   6.501  -0.836
  302    HE   ARG  35           HE       ARG  35  76.834   5.523   0.715
  303   1HH1  ARG  35          HH11      ARG  35  79.241   5.858   2.507
  304   2HH1  ARG  35          HH12      ARG  35  80.005   4.310   2.364
  305   1HH2  ARG  35          HH21      ARG  35  78.256   3.411  -0.492
  306   2HH2  ARG  35          HH22      ARG  35  79.445   2.926   0.667
  307    H    ASN  36           HN       ASN  36  78.067   9.126  -1.657
  308    HA   ASN  36           HA       ASN  36  78.014   6.887  -3.288
  309   1HB   ASN  36           HB2      ASN  36  76.802   9.524  -3.123
  310   2HB   ASN  36           HB1      ASN  36  76.909   8.977  -4.793
  311   1HD2  ASN  36          HD22      ASN  36  74.309   7.164  -2.251
  312   2HD2  ASN  36          HD21      ASN  36  75.342   8.399  -1.712
  313    H    GLN  37           HN       GLN  37  79.945   9.768  -3.701
  314    HA   GLN  37           HA       GLN  37  80.569   9.293  -6.509
  315   1HB   GLN  37           HB2      GLN  37  82.117  10.990  -4.550
  316   2HB   GLN  37           HB1      GLN  37  81.846  11.276  -6.269
  317   1HG   GLN  37           HG2      GLN  37  79.273  11.198  -5.316
  318   2HG   GLN  37           HG1      GLN  37  80.131  11.935  -3.962
  319   1HE2  GLN  37          HE22      GLN  37  80.392  13.909  -7.571
  320   2HE2  GLN  37          HE21      GLN  37  80.412  12.213  -7.561
  321    H    GLY  38           HN       GLY  38  81.555   7.780  -3.656
  322   1HA   GLY  38           HA2      GLY  38  84.103   6.912  -4.970
  323   2HA   GLY  38           HA1      GLY  38  84.022   7.217  -3.235
  324    H    ASP  39           HN       ASP  39  81.334   5.735  -4.903
  325    HA   ASP  39           HA       ASP  39  82.078   2.981  -4.530
  326   1HB   ASP  39           HB2      ASP  39  81.063   4.543  -2.239
  327   2HB   ASP  39           HB1      ASP  39  80.224   3.013  -2.497
  328    H    LYS  40           HN       LYS  40  80.914   2.645  -6.486
  329    HA   LYS  40           HA       LYS  40  78.120   3.533  -6.672
  330   1HB   LYS  40           HB2      LYS  40  80.206   2.327  -8.433
  331   2HB   LYS  40           HB1      LYS  40  78.524   2.053  -8.885
  332   1HG   LYS  40           HG2      LYS  40  78.403   4.132  -9.735
  333   2HG   LYS  40           HG1      LYS  40  78.816   4.807  -8.159
  334   1HD   LYS  40           HD2      LYS  40  81.014   5.107  -8.712
  335   2HD   LYS  40           HD1      LYS  40  81.074   3.636  -9.685
  336   1HE   LYS  40           HE2      LYS  40  80.975   4.974 -11.516
  337   2HE   LYS  40           HE1      LYS  40  79.302   5.349 -11.057
  338   1HZ   LYS  40           HZ1      LYS  40  81.669   6.704  -9.883
  339   2HZ   LYS  40           HZ3      LYS  40  80.802   7.327 -11.200
  340   3HZ   LYS  40           HZ2      LYS  40  80.035   7.134  -9.697
  341    H    GLU  41           HN       GLU  41  79.960   0.643  -6.171
  342    HA   GLU  41           HA       GLU  41  78.235  -1.480  -6.468
  343   1HB   GLU  41           HB2      GLU  41  79.373  -2.233  -4.260
  344   2HB   GLU  41           HB1      GLU  41  80.437  -1.776  -5.594
  345   1HG   GLU  41           HG2      GLU  41  80.834   0.402  -4.658
  346   2HG   GLU  41           HG1      GLU  41  79.541   0.199  -3.479
  347    H    ALA  42           HN       ALA  42  78.092   1.078  -4.022
  348    HA   ALA  42           HA       ALA  42  75.852  -0.207  -2.581
  349   1HB   ALA  42           HB3      ALA  42  77.803   1.106  -1.573
  350   2HB   ALA  42           HB2      ALA  42  77.043   2.554  -2.230
  351   3HB   ALA  42           HB1      ALA  42  76.197   1.582  -1.027
  352    H    GLU  43           HN       GLU  43  76.380   2.155  -5.079
  353    HA   GLU  43           HA       GLU  43  74.268   3.919  -5.046
  354   1HB   GLU  43           HB2      GLU  43  75.968   3.355  -6.898
  355   2HB   GLU  43           HB1      GLU  43  74.801   2.139  -7.422
  356   1HG   GLU  43           HG2      GLU  43  73.467   3.686  -8.362
  357   2HG   GLU  43           HG1      GLU  43  73.515   4.698  -6.919
  358    H    ALA  44           HN       ALA  44  74.105   0.462  -5.774
  359    HA   ALA  44           HA       ALA  44  71.416   0.471  -6.622
  360   1HB   ALA  44           HB1      ALA  44  73.414  -1.323  -6.578
  361   2HB   ALA  44           HB3      ALA  44  72.530  -1.884  -5.159
  362   3HB   ALA  44           HB2      ALA  44  71.731  -1.827  -6.730
  363    H    LYS  45           HN       LYS  45  72.648  -0.701  -3.459
  364    HA   LYS  45           HA       LYS  45  70.205  -0.929  -2.129
  365   1HB   LYS  45           HB2      LYS  45  72.344  -1.552  -1.138
  366   2HB   LYS  45           HB1      LYS  45  72.879   0.134  -1.152
  367   1HG   LYS  45           HG2      LYS  45  71.202   0.759   0.462
  368   2HG   LYS  45           HG1      LYS  45  70.419  -0.817   0.342
  369   1HD   LYS  45           HD2      LYS  45  73.228  -1.130   0.982
  370   2HD   LYS  45           HD1      LYS  45  72.439  -0.075   2.156
  371   1HE   LYS  45           HE2      LYS  45  71.861  -2.088   3.122
  372   2HE   LYS  45           HE1      LYS  45  70.554  -2.031   1.923
  373   1HZ   LYS  45           HZ2      LYS  45  72.186  -3.072   0.339
  374   2HZ   LYS  45           HZ1      LYS  45  73.183  -3.379   1.680
  375   3HZ   LYS  45           HZ3      LYS  45  71.643  -4.084   1.592
  376    H    PHE  46           HN       PHE  46  71.996   1.973  -3.020
  377    HA   PHE  46           HA       PHE  46  70.542   3.851  -1.398
  378   1HB   PHE  46           HB2      PHE  46  71.950   4.195  -4.064
  379   2HB   PHE  46           HB1      PHE  46  71.545   5.489  -2.943
  380    HD1  PHE  46           HD2      PHE  46  72.176   3.119  -0.670
  381    HD2  PHE  46           HD1      PHE  46  74.303   5.248  -3.733
  382    HE1  PHE  46           HE2      PHE  46  74.304   2.754   0.555
  383    HE2  PHE  46           HE1      PHE  46  76.431   4.884  -2.509
  384    HZ   PHE  46           HZ       PHE  46  76.427   3.640  -0.365
  385    H    LYS  47           HN       LYS  47  70.129   2.843  -4.839
  386    HA   LYS  47           HA       LYS  47  67.619   4.416  -4.929
  387   1HB   LYS  47           HB2      LYS  47  67.998   4.343  -7.182
  388   2HB   LYS  47           HB1      LYS  47  69.588   3.729  -6.742
  389   1HG   LYS  47           HG2      LYS  47  67.198   1.930  -7.183
  390   2HG   LYS  47           HG1      LYS  47  68.334   2.354  -8.463
  391   1HD   LYS  47           HD2      LYS  47  69.996   1.604  -6.388
  392   2HD   LYS  47           HD1      LYS  47  68.651   0.471  -6.247
  393   1HE   LYS  47           HE2      LYS  47  70.345   0.976  -8.717
  394   2HE   LYS  47           HE1      LYS  47  70.199  -0.537  -7.799
  395   1HZ   LYS  47           HZ3      LYS  47  67.694  -0.232  -8.237
  396   2HZ   LYS  47           HZ2      LYS  47  68.188   0.798  -9.495
  397   3HZ   LYS  47           HZ1      LYS  47  68.666  -0.831  -9.492
  398    H    GLU  48           HN       GLU  48  68.707   1.176  -4.380
  399    HA   GLU  48           HA       GLU  48  66.448  -0.404  -4.979
  400   1HB   GLU  48           HB2      GLU  48  68.600  -0.351  -2.873
  401   2HB   GLU  48           HB1      GLU  48  67.307  -1.539  -2.735
  402   1HG   GLU  48           HG2      GLU  48  68.759  -1.197  -5.342
  403   2HG   GLU  48           HG1      GLU  48  69.478  -2.166  -4.055
  404    H    ILE  49           HN       ILE  49  67.204   1.813  -2.432
  405    HA   ILE  49           HA       ILE  49  64.986   1.367  -0.667
  406    HB   ILE  49           HB       ILE  49  66.671   3.793  -1.330
  407   1HG1  ILE  49          HG12      ILE  49  67.031   2.107   1.098
  408   2HG1  ILE  49          HG11      ILE  49  67.585   1.456  -0.444
  409   1HG2  ILE  49          HG21      ILE  49  64.790   3.199   0.950
  410   2HG2  ILE  49          HG23      ILE  49  66.058   4.420   1.067
  411   3HG2  ILE  49          HG22      ILE  49  64.777   4.590  -0.133
  412   1HD1  ILE  49          HD11      ILE  49  68.809   3.654  -0.797
  413   2HD1  ILE  49          HD13      ILE  49  68.448   4.034   0.884
  414   3HD1  ILE  49          HD12      ILE  49  69.449   2.638   0.491
  415    H    LYS  50           HN       LYS  50  65.545   3.601  -3.352
  416    HA   LYS  50           HA       LYS  50  63.042   4.984  -3.235
  417   1HB   LYS  50           HB2      LYS  50  63.852   5.985  -5.152
  418   2HB   LYS  50           HB1      LYS  50  65.343   5.192  -4.652
  419   1HG   LYS  50           HG2      LYS  50  64.373   3.170  -6.056
  420   2HG   LYS  50           HG1      LYS  50  63.437   4.438  -6.842
  421   1HD   LYS  50           HD2      LYS  50  66.332   4.991  -6.465
  422   2HD   LYS  50           HD1      LYS  50  65.918   3.753  -7.653
  423   1HE   LYS  50           HE2      LYS  50  65.687   5.572  -9.047
  424   2HE   LYS  50           HE1      LYS  50  64.089   5.687  -8.283
  425   1HZ   LYS  50           HZ3      LYS  50  65.294   6.956  -6.459
  426   2HZ   LYS  50           HZ2      LYS  50  66.574   7.121  -7.563
  427   3HZ   LYS  50           HZ1      LYS  50  65.048   7.773  -7.925
  428    H    GLU  51           HN       GLU  51  63.963   1.861  -4.520
  429    HA   GLU  51           HA       GLU  51  61.602   1.388  -6.124
  430   1HB   GLU  51           HB2      GLU  51  63.818   0.248  -6.314
  431   2HB   GLU  51           HB1      GLU  51  63.521  -0.525  -4.756
  432   1HG   GLU  51           HG2      GLU  51  61.820  -1.877  -5.598
  433   2HG   GLU  51           HG1      GLU  51  61.467  -0.777  -6.931
  434    H    ALA  52           HN       ALA  52  62.493   0.811  -2.746
  435    HA   ALA  52           HA       ALA  52  60.628  -0.938  -1.736
  436   1HB   ALA  52           HB2      ALA  52  61.372   1.826  -0.716
  437   2HB   ALA  52           HB1      ALA  52  60.661   0.552   0.274
  438   3HB   ALA  52           HB3      ALA  52  62.267   0.336  -0.420
  439    H    TYR  53           HN       TYR  53  60.014   2.408  -2.745
  440    HA   TYR  53           HA       TYR  53  57.346   2.715  -1.912
  441   1HB   TYR  53           HB2      TYR  53  58.671   3.643  -4.477
  442   2HB   TYR  53           HB1      TYR  53  57.306   4.418  -3.677
  443    HD1  TYR  53           HD1      TYR  53  58.791   3.441  -0.892
  444    HD2  TYR  53           HD2      TYR  53  59.727   5.979  -4.226
  445    HE1  TYR  53           HE1      TYR  53  60.361   4.709   0.527
  446    HE2  TYR  53           HE2      TYR  53  61.299   7.252  -2.808
  447    HH   TYR  53           HH       TYR  53  61.950   7.638  -0.661
  448    H    GLU  54           HN       GLU  54  58.650   1.040  -4.750
  449    HA   GLU  54           HA       GLU  54  56.153   0.584  -6.095
  450   1HB   GLU  54           HB2      GLU  54  58.433  -1.396  -6.015
  451   2HB   GLU  54           HB1      GLU  54  57.401  -0.968  -7.378
  452   1HG   GLU  54           HG2      GLU  54  58.644   1.425  -6.576
  453   2HG   GLU  54           HG1      GLU  54  59.909   0.195  -6.567
  454    H    VAL  55           HN       VAL  55  57.495  -0.565  -3.165
  455    HA   VAL  55           HA       VAL  55  55.738  -2.916  -3.163
  456    HB   VAL  55           HB       VAL  55  58.345  -2.252  -2.226
  457   1HG1  VAL  55          HG12      VAL  55  56.360  -2.889  -0.050
  458   2HG1  VAL  55          HG11      VAL  55  58.051  -3.352   0.093
  459   3HG1  VAL  55          HG13      VAL  55  57.619  -1.654  -0.066
  460   1HG2  VAL  55          HG23      VAL  55  57.205  -4.410  -3.259
  461   2HG2  VAL  55          HG22      VAL  55  58.635  -4.540  -2.241
  462   3HG2  VAL  55          HG21      VAL  55  57.039  -4.858  -1.562
  463    H    LEU  56           HN       LEU  56  56.657  -0.320  -0.897
  464    HA   LEU  56           HA       LEU  56  54.256  -0.708   0.724
  465   1HB   LEU  56           HB2      LEU  56  55.237   1.310   1.902
  466   2HB   LEU  56           HB1      LEU  56  56.316  -0.082   1.765
  467    HG   LEU  56           HG       LEU  56  56.611   1.482  -0.600
  468   1HD1  LEU  56          HD12      LEU  56  55.650   3.312   0.800
  469   2HD1  LEU  56          HD11      LEU  56  56.963   3.072   1.949
  470   3HD1  LEU  56          HD13      LEU  56  57.315   3.618   0.309
  471   1HD2  LEU  56          HD23      LEU  56  58.318   0.854   1.816
  472   2HD2  LEU  56          HD22      LEU  56  58.365   0.088   0.232
  473   3HD2  LEU  56          HD21      LEU  56  58.942   1.743   0.426
  474    H    THR  57           HN       THR  57  55.195   1.647  -1.798
  475    HA   THR  57           HA       THR  57  52.776   3.248  -1.206
  476    HB   THR  57           HB       THR  57  53.687   4.806  -2.760
  477    HG1  THR  57           HG1      THR  57  55.553   4.010  -4.072
  478   1HG2  THR  57          HG23      THR  57  55.807   3.346  -1.204
  479   2HG2  THR  57          HG22      THR  57  56.243   4.711  -2.225
  480   3HG2  THR  57          HG21      THR  57  55.106   4.931  -0.900
  481    H    ASP  58           HN       ASP  58  52.909   0.357  -2.299
  482    HA   ASP  58           HA       ASP  58  50.850   0.740  -4.410
  483   1HB   ASP  58           HB2      ASP  58  53.538  -0.235  -4.704
  484   2HB   ASP  58           HB1      ASP  58  52.424  -1.578  -4.976
  485    H    SER  59           HN       SER  59  49.104  -0.099  -3.522
  486    HA   SER  59           HA       SER  59  48.913  -1.703  -1.318
  487   1HB   SER  59           HB2      SER  59  47.138  -1.769  -3.761
  488   2HB   SER  59           HB1      SER  59  46.652  -2.204  -2.125
  489    HG   SER  59           HG       SER  59  46.303  -0.166  -1.813
  490    H    GLN  60           HN       GLN  60  49.942  -2.716  -4.461
  491    HA   GLN  60           HA       GLN  60  49.248  -5.471  -4.409
  492   1HB   GLN  60           HB2      GLN  60  51.450  -3.807  -5.620
  493   2HB   GLN  60           HB1      GLN  60  51.402  -5.551  -5.875
  494   1HG   GLN  60           HG2      GLN  60  50.048  -5.030  -7.627
  495   2HG   GLN  60           HG1      GLN  60  48.803  -4.868  -6.388
  496   1HE2  GLN  60          HE22      GLN  60  50.614  -1.352  -7.501
  497   2HE2  GLN  60          HE21      GLN  60  51.568  -2.731  -7.238
  498    H    LYS  61           HN       LYS  61  52.442  -4.062  -3.584
  499    HA   LYS  61           HA       LYS  61  53.305  -6.518  -2.258
  500   1HB   LYS  61           HB2      LYS  61  54.670  -3.863  -2.037
  501   2HB   LYS  61           HB1      LYS  61  55.382  -5.465  -2.184
  502   1HG   LYS  61           HG2      LYS  61  54.054  -3.821  -4.347
  503   2HG   LYS  61           HG1      LYS  61  55.704  -4.421  -4.303
  504   1HD   LYS  61           HD2      LYS  61  53.181  -6.071  -4.627
  505   2HD   LYS  61           HD1      LYS  61  54.467  -5.843  -5.810
  506   1HE   LYS  61           HE2      LYS  61  56.041  -7.081  -4.455
  507   2HE   LYS  61           HE1      LYS  61  54.895  -7.149  -3.102
  508   1HZ   LYS  61           HZ2      LYS  61  54.015  -8.088  -5.738
  509   2HZ   LYS  61           HZ1      LYS  61  55.025  -9.103  -4.823
  510   3HZ   LYS  61           HZ3      LYS  61  53.531  -8.602  -4.193
  511    H    ARG  62           HN       ARG  62  52.715  -3.171  -1.058
  512    HA   ARG  62           HA       ARG  62  53.264  -3.569   1.645
  513   1HB   ARG  62           HB2      ARG  62  51.776  -1.684   2.005
  514   2HB   ARG  62           HB1      ARG  62  52.575  -1.460   0.449
  515   1HG   ARG  62           HG2      ARG  62  50.659  -2.082  -0.763
  516   2HG   ARG  62           HG1      ARG  62  49.910  -2.848   0.632
  517   1HD   ARG  62           HD2      ARG  62  50.357   0.132   0.254
  518   2HD   ARG  62           HD1      ARG  62  48.797  -0.713   0.260
  519    HE   ARG  62           HE       ARG  62  49.995  -1.472   2.650
  520   1HH1  ARG  62          HH11      ARG  62  51.059   1.443   2.072
  521   2HH1  ARG  62          HH12      ARG  62  49.993   2.337   3.104
  522   1HH2  ARG  62          HH21      ARG  62  47.797  -0.310   3.565
  523   2HH2  ARG  62          HH22      ARG  62  48.143   1.342   3.950
  524    H    ALA  63           HN       ALA  63  50.521  -4.736  -0.189
  525    HA   ALA  63           HA       ALA  63  49.054  -5.591   2.229
  526   1HB   ALA  63           HB1      ALA  63  48.178  -4.718  -0.094
  527   2HB   ALA  63           HB3      ALA  63  48.448  -6.381  -0.617
  528   3HB   ALA  63           HB2      ALA  63  47.323  -6.040   0.699
  529    H    ALA  64           HN       ALA  64  51.397  -6.770   0.000
  530    HA   ALA  64           HA       ALA  64  50.891  -9.622   0.588
  531   1HB   ALA  64           HB3      ALA  64  51.918  -8.151  -1.532
  532   2HB   ALA  64           HB2      ALA  64  53.363  -8.846  -0.798
  533   3HB   ALA  64           HB1      ALA  64  52.059  -9.900  -1.348
  534    H    TYR  65           HN       TYR  65  53.423  -7.154   1.156
  535    HA   TYR  65           HA       TYR  65  55.175  -8.847   2.672
  536   1HB   TYR  65           HB2      TYR  65  54.963  -6.155   1.754
  537   2HB   TYR  65           HB1      TYR  65  55.313  -6.102   3.487
  538    HD1  TYR  65           HD1      TYR  65  56.340  -8.174   0.520
  539    HD2  TYR  65           HD2      TYR  65  57.563  -6.077   4.063
  540    HE1  TYR  65           HE1      TYR  65  58.698  -8.801   0.075
  541    HE2  TYR  65           HE2      TYR  65  59.921  -6.703   3.620
  542    HH   TYR  65           HH       TYR  65  60.790  -9.055   1.280
  543    H    ASP  66           HN       ASP  66  52.415  -6.800   3.615
  544    HA   ASP  66           HA       ASP  66  52.688  -6.675   6.387
  545   1HB   ASP  66           HB2      ASP  66  50.223  -6.632   6.393
  546   2HB   ASP  66           HB1      ASP  66  50.843  -5.737   5.005
  547    H    GLN  67           HN       GLN  67  52.118  -9.499   4.407
  548    HA   GLN  67           HA       GLN  67  51.795 -11.174   6.879
  549   1HB   GLN  67           HB2      GLN  67  50.684 -11.262   4.085
  550   2HB   GLN  67           HB1      GLN  67  50.829 -12.763   4.999
  551   1HG   GLN  67           HG2      GLN  67  49.292 -12.089   6.612
  552   2HG   GLN  67           HG1      GLN  67  49.567 -10.375   6.304
  553   1HE2  GLN  67          HE22      GLN  67  47.581 -11.989   3.143
  554   2HE2  GLN  67          HE21      GLN  67  49.144 -12.510   3.551
  555    H    TYR  68           HN       TYR  68  54.076 -10.233   4.728
  556    HA   TYR  68           HA       TYR  68  56.125 -11.152   4.016
  557   1HB   TYR  68           HB2      TYR  68  55.242 -12.639   6.446
  558   2HB   TYR  68           HB1      TYR  68  56.595 -13.321   5.536
  559    HD1  TYR  68           HD2      TYR  68  58.056 -11.073   4.520
  560    HD2  TYR  68           HD1      TYR  68  56.066 -11.486   8.304
  561    HE1  TYR  68           HE2      TYR  68  59.579  -9.381   5.504
  562    HE2  TYR  68           HE1      TYR  68  57.587  -9.793   9.289
  563    HH   TYR  68           HH       TYR  68  60.392  -8.640   7.604
  564    H    GLY  69           HN       GLY  69  53.479 -12.110   2.854
  565   1HA   GLY  69           HA2      GLY  69  53.359 -13.498   0.856
  566   2HA   GLY  69           HA1      GLY  69  54.587 -14.553   1.559
  567    H    HIS  70           HN       HIS  70  51.985 -15.379   0.557
  568    HA   HIS  70           HA       HIS  70  50.071 -15.790   2.635
  569   1HB   HIS  70           HB2      HIS  70  49.413 -17.718   1.068
  570   2HB   HIS  70           HB1      HIS  70  49.478 -16.110   0.339
  571    HD1  HIS  70           HD1      HIS  70  51.902 -19.022   0.881
  572    HD2  HIS  70           HD2      HIS  70  50.997 -16.105  -1.957
  573    HE1  HIS  70           HE1      HIS  70  53.444 -19.433  -1.088
  574    H    ALA  71           HN       ALA  71  53.200 -17.100   2.233
  575    HA   ALA  71           HA       ALA  71  52.998 -19.746   3.184
  576   1HB   ALA  71           HB3      ALA  71  55.028 -17.529   3.407
  577   2HB   ALA  71           HB2      ALA  71  55.339 -19.098   4.148
  578   3HB   ALA  71           HB1      ALA  71  55.090 -18.980   2.407
  579    H    ALA  72           HN       ALA  72  53.023 -16.681   4.984
  580    HA   ALA  72           HA       ALA  72  53.194 -17.819   7.616
  581   1HB   ALA  72           HB1      ALA  72  52.161 -15.236   6.429
  582   2HB   ALA  72           HB3      ALA  72  52.146 -15.524   8.169
  583   3HB   ALA  72           HB2      ALA  72  53.675 -15.508   7.292
  584    H    PHE  73           HN       PHE  73  50.712 -17.913   5.289
  585    HA   PHE  73           HA       PHE  73  48.738 -18.714   7.398
  586   1HB   PHE  73           HB2      PHE  73  48.586 -16.756   5.143
  587   2HB   PHE  73           HB1      PHE  73  47.129 -17.684   5.520
  588    HD1  PHE  73           HD2      PHE  73  46.006 -17.455   7.683
  589    HD2  PHE  73           HD1      PHE  73  49.529 -15.178   6.755
  590    HE1  PHE  73           HE2      PHE  73  45.566 -15.977   9.627
  591    HE2  PHE  73           HE1      PHE  73  49.086 -13.702   8.699
  592    HZ   PHE  73           HZ       PHE  73  47.106 -14.102  10.134
  593    H    GLU  74           HN       GLU  74  50.577 -19.798   4.913
  594    HA   GLU  74           HA       GLU  74  50.456 -21.738   3.565
  595   1HB   GLU  74           HB2      GLU  74  47.903 -22.284   5.095
  596   2HB   GLU  74           HB1      GLU  74  49.040 -23.457   4.428
  597   1HG   GLU  74           HG2      GLU  74  49.751 -21.488   6.619
  598   2HG   GLU  74           HG1      GLU  74  49.235 -23.148   6.921
  599    H    GLN  75           HN       GLN  75  49.293 -22.533   1.686
  600    HA   GLN  75           HA       GLN  75  47.447 -20.543   0.533
  601   1HB   GLN  75           HB2      GLN  75  48.917 -23.010  -0.403
  602   2HB   GLN  75           HB1      GLN  75  47.723 -22.216  -1.432
  603   1HG   GLN  75           HG2      GLN  75  49.029 -20.354  -1.750
  604   2HG   GLN  75           HG1      GLN  75  49.773 -20.471  -0.154
  605   1HE2  GLN  75          HE22      GLN  75  51.482 -22.383  -3.334
  606   2HE2  GLN  75          HE21      GLN  75  49.955 -21.656  -3.491
  607    H    GLY  76           HN       GLY  76  45.324 -21.139  -0.280
  608   1HA   GLY  76           HA2      GLY  76  44.239 -23.758   0.583
  609   2HA   GLY  76           HA1      GLY  76  43.479 -22.317   1.258
  610    H    GLY  77           HN       GLY  77  41.963 -24.037  -0.302
  611   1HA   GLY  77           HA2      GLY  77  41.194 -22.233  -2.490
  612   2HA   GLY  77           HA1      GLY  77  41.740 -23.829  -3.009
   
  No H/Q in entry =         612
</PRE>