*HEADER    TOXIN                                   24-JUL-98   1BMR      
*TITLE     ALPHA-LIKE TOXIN LQH III FROM SCORPION LEIURUS                
*TITLE    2 QUINQUESTRIATUS HEBRAEUS, NMR, 25 STRUCTURES                 
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: LQH III ALPHA-LIKE TOXIN;                          
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 BIOLOGICAL_UNIT: MONOMER;                                    
*COMPND   4 OTHER_DETAILS: AMIDATED AT THE C-TERMINAL POSITION (CONH2)   
*COMPND   5 . THIS STRUCTURE IS IN EQUILIBRIUM WITH THE PRO9-GLU10 CIS   
*COMPND   6 ISOMER (PDB:1FH3).                                           
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS;       
*SOURCE   3 ORGANISM_COMMON: HEBRAEI SCORPION;                           
*SOURCE   4 ORGAN: VENOMOUS APPARATUS;                                   
*SOURCE   5 SECRETION: VENOM                                             
*KEYWDS    ALPHA-LIKE TOXIN, SCORPION TOXIN, SODIUM CHANNEL INHIBITOR    
*EXPDTA    NMR, 25 STRUCTURES                                            
*AUTHOR    I.KRIMM,N.GILLES,P.SAUTIERE,M.STANKIEWICZ,M.PELHATE,          
*AUTHOR   2 D.GORDON,J.-M.LANCELIN                                       
*REVDAT   1   12-OCT-04 1BMR    0   

remarks   NOE restraints for LqhIII toxin. Krimm et al., 1998                   
remarks   data from noesy spectrum 150 ms mixing time at 311 K, pH 5.8          
remarks   r0    dlow    dhigh   for N-H                                         
remarks   2.1   0.3     0.9     1.8 - 3.0  strong noe                           
remarks   2.4   0.6     1.2     1.8 - 3.6  medium noe                           
remarks   2.9   1.1     2.4     1.8 - 5.3  weak noe                             
remarks   3.5   1.7     2.8     1.8 - 6.3  very weak noe                        
remarks   r0    dlow    dhigh   for C-H                                         
remarks   2.1   0.3     0.6     1.8 - 2.7  strong noe                           
remarks   2.4   0.6     0.9     1.8 - 3.3  medium noe                           
remarks   2.9   1.1     2.1     1.8 - 5.0  weak noe                             
remarks   3.5   1.7     2.5     1.8 - 6.0  very weak noe                        
remarks   1.0  added for noe involving CH3                                      
remarks   1.0  added for noe involving CH2                                      
remarks   2.0  added for noe involving aromatics H                              
                                                                                
remarks  NOE restraints for VAL 1                                               
assign  (resid 1  and name ha  )   (resid 1  and name hg1*) 2.4 0.6 1.9         
assign  (resid 1  and name ha  )   (resid 1  and name hg2*) 2.9 1.1 3.1         
assign  (resid 1  and name ha  )   (resid 1  and name hb  ) 2.4 0.6 0.9         
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 1  and name ha  )   (resid 2  and name hn  ) 2.1 0.3 0.9         
assign  (resid 1  and name hb  )   (resid 2  and name hn  ) 2.4 0.6 1.2         
assign  (resid 1  and name hg1*)   (resid 2  and name hn  ) 2.4 0.6 2.2         
assign  (resid 1  and name hg2*)   (resid 2  and name hn  ) 2.9 1.1 3.1         
assign  (resid 1  and name hg1*)   (resid 2  and name hd1 ) 3.5 1.7 3.5         
assign  (resid 1  and name hg1*)   (resid 2  and name hd2 ) 3.5 1.7 3.5         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+5)         NOE restraints                                    
assign  (resid 1  and name ha  )   (resid 54 and name hn  ) 2.4 0.6 1.2         
assign  (resid 1  and name hb  )   (resid 51 and name ha  ) 2.4 0.6 0.9         
assign  (resid 1  and name hg1*)   (resid 51 and name ha  ) 2.4 0.6 1.9         
assign  (resid 1  and name hg1*)   (resid 51 and name hb* ) 2.4 0.6 2.9         
assign  (resid 1  and name hg1*)   (resid 52 and name hn  ) 3.5 1.7 3.8         
assign  (resid 1  and name hg2*)   (resid 52 and name hn  ) 3.5 1.7 3.8         
assign  (resid 1  and name hg1*)   (resid 53 and name ha  ) 3.5 1.7 3.8         
assign  (resid 1  and name hg2*)   (resid 53 and name ha  ) 3.5 1.7 3.8         
assign  (resid 1  and name hg2*)   (resid 51 and name ha  ) 2.4 0.6 1.9         
assign  (resid 1  and name hg2*)   (resid 51 and name hb* ) 2.1 0.3 2.6         
assign  (resid 1  and name hg1*)   (resid 54 and name hn  ) 2.9 1.1 3.4         
                                                                                
remarks  NOE restraints for ARG 2                                               
assign  (resid 2  and name hn  )   (resid 2  and name hb* ) 2.4 0.6 2.2         
assign  (resid 2  and name hn  )   (resid 2  and name hg* ) 2.4 0.6 2.2         
assign  (resid 2  and name ha  )   (resid 2  and name hb* ) 2.4 0.6 1.9         
assign  (resid 2  and name ha  )   (resid 2  and name hg* ) 2.4 0.6 1.9         
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 2  and name ha  )   (resid 3  and name hn  ) 2.1 0.3 0.9         
assign  (resid 2  and name hb* )   (resid 3  and name hn  ) 2.4 0.6 2.2         
assign  (resid 2  and name hg* )   (resid 3  and name hn  ) 2.9 1.1 3.4         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 2  and name hn  )   (resid 52 and name hn  ) 2.4 0.6 1.2         
assign  (resid 2  and name hn  )   (resid 51 and name ha  ) 2.9 1.1 2.4         
assign  (resid 2  and name hn  )   (resid 51 and name hb* ) 3.5 1.7 3.8         
assign  (resid 2  and name ha  )   (resid 51 and name ha  ) 3.5 1.7 2.5         
assign  (resid 2  and name hd1 )   (resid 54 and name ha  ) 3.5 1.7 2.5         
assign  (resid 2  and name hd2 )   (resid 54 and name ha  ) 3.5 1.7 2.5         
assign  (resid 2  and name hg* )   (resid 54 and name ha  ) 3.5 1.7 3.5         
assign  (resid 2  and name he  )   (resid 57 and name ha1 ) 2.9 1.1 2.4         
assign  (resid 2  and name he  )   (resid 57 and name ha2 ) 2.4 0.6 0.9         
assign  (resid 2  and name he  )   (resid 58 and name hd1*) 2.4 0.6 1.9         
assign  (resid 2  and name hh1*)   (resid 58 and name hd1*) 3.5 1.7 4.5         
assign  (resid 2  and name hd* )   (resid 58 and name hg2*) 3.5 1.7 4.5         
                                                                                
remarks  NOE restraints for ASP 3                                               
assign  (resid 3  and name hn  )   (resid 3  and name hb2 ) 2.4 0.6 1.2         
assign  (resid 3  and name hn  )   (resid 3  and name hb1 ) 2.9 1.1 2.4         
assign  (resid 3  and name ha  )   (resid 3  and name hb2 ) 2.9 1.1 2.1         
assign  (resid 3  and name ha  )   (resid 3  and name hb1 ) 2.4 0.6 0.9         
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 3  and name hn  )   (resid 4  and name hn  ) 3.5 1.7 2.8         
assign  (resid 3  and name ha  )   (resid 4  and name hn  ) 2.1 0.3 0.9         
assign  (resid 3  and name hb1 )   (resid 4  and name hn  ) 3.5 1.7 2.8         
assign  (resid 3  and name hb2 )   (resid 4  and name hn  ) 2.9 1.1 2.4         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 3  and name ha  )   (resid 50 and name ha  ) 2.4 0.6 0.9         
assign  (resid 3  and name ha  )   (resid 51 and name hn  ) 2.9 1.1 2.4         
assign  (resid 3  and name ha  )   (resid 51 and name ha  ) 3.5 1.7 2.5         
assign  (resid 3  and name ha  )   (resid 52 and name hn  ) 3.5 1.7 2.8         
assign  (resid 3  and name hb1 )   (resid 50 and name ha  ) 2.9 1.1 2.1         
assign  (resid 3  and name hb1 )   (resid 48 and name hz2 ) 2.4 0.6 0.9         
assign  (resid 3  and name hb2 )   (resid 50 and name ha  ) 2.9 1.1 2.1         
assign  (resid 3  and name hb2 )   (resid 48 and name hz2 ) 2.4 0.6 0.9         
assign  (resid 3  and name hb1 )   (resid 50 and name hd21) 2.9 1.1 2.4         
assign  (resid 3  and name hb2 )   (resid 50 and name hd21) 2.9 1.1 2.4         
                                                                                
remarks  NOE restraints for GLY 4                                               
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 4  and name ha* )   (resid 5  and name hn  ) 2.1 0.3 1.9         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 4  and name hn  )   (resid 49 and name hn  ) 2.4 0.6 1.2         
assign  (resid 4  and name hn  )   (resid 50 and name ha  ) 2.9 1.1 2.4         
assign  (resid 4  and name ha* )   (resid 48 and name hz3 ) 2.9 1.1 3.1         
assign  (resid 4  and name ha* )   (resid 58 and name hd1*) 2.9 1.1 4.1         
assign  (resid 4  and name ha* )   (resid 58 and name hg2*) 2.9 1.1 4.1         
                                                                                
remarks  NOE restraints for TYR 5                                               
assign  (resid 5  and name hn  )   (resid 5  and name hb2 ) 2.4 0.6 1.2         
assign  (resid 5  and name hn  )   (resid 5  and name hb1 ) 2.9 1.1 2.4         
assign  (resid 5  and name ha  )   (resid 5  and name hb2 ) 2.9 1.1 2.1         
assign  (resid 5  and name ha  )   (resid 5  and name hb1 ) 2.4 0.6 0.9         
assign  (resid 5  and name ha  )   (resid 5  and name hd* ) 2.1 0.3 2.9         
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 5 and name ha  )    (resid 6  and name hn  ) 2.1 0.3 0.9         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 5  and name hn  )   (resid 48 and name he3 ) 3.5 1.7 2.8         
assign  (resid 5  and name hn  )   (resid 48 and name hz3 ) 3.5 1.7 2.8         
assign  (resid 5  and name hn  )   (resid 58 and name hb  ) 3.5 1.7 2.8         
assign  (resid 5  and name hn  )   (resid 58 and name hg2*) 3.5 1.7 3.8         
assign  (resid 5  and name hn  )   (resid 58 and name hd1*) 2.4 0.6 2.2         
assign  (resid 5  and name ha  )   (resid 48 and name ha  ) 2.4 0.6 0.9         
assign  (resid 5  and name ha  )   (resid 48 and name he3 ) 3.5 1.7 2.5         
assign  (resid 5  and name ha  )   (resid 49 and name hn  ) 2.4 0.6 1.2         
assign  (resid 5  and name hb1 )   (resid 59 and name hn  ) 3.5 1.7 2.8         
assign  (resid 5  and name hb1 )   (resid 59 and name hb  ) 2.9 1.1 2.1         
assign  (resid 5  and name hb2 )   (resid 59 and name hn  ) 2.9 1.1 2.4         
assign  (resid 5  and name hb2 )   (resid 59 and name hb  ) 2.9 1.1 2.1         
assign  (resid 5  and name hd* )   (resid 46 and name hb* ) 2.1 0.3 3.6         
assign  (resid 5  and name hd* )   (resid 47 and name hb* ) 2.9 1.1 5.1         
assign  (resid 5  and name hd* )   (resid 48 and name ha  ) 2.4 0.6 2.9         
assign  (resid 5  and name hd* )   (resid 48 and name he3 ) 2.4 0.6 2.9         
assign  (resid 5  and name hd* )   (resid 48 and name hz3 ) 2.4 0.6 2.9         
assign  (resid 5  and name he* )   (resid 38 and name hn  ) 3.5 1.7 4.8         
assign  (resid 5  and name he* )   (resid 38 and name ha1 ) 2.9 1.1 4.1         
assign  (resid 5  and name he* )   (resid 38 and name ha2 ) 2.9 1.1 4.1         
assign  (resid 5  and name he* )   (resid 46 and name hb* ) 2.1 0.3 3.6         
assign  (resid 5  and name he* )   (resid 47 and name hn  ) 2.9 1.1 4.4         
assign  (resid 5  and name he* )   (resid 48 and name ha  ) 2.9 1.1 4.1         
assign  (resid 5  and name he* )   (resid 48 and name he3 ) 2.4 0.6 2.9         
assign  (resid 5  and name he* )   (resid 48 and name hz3 ) 2.4 0.6 2.9         
assign  (resid 5  and name hd* )   (resid 48 and name hd1 ) 3.5 1.7 4.5         
assign  (resid 5  and name he* )   (resid 48 and name hd1 ) 3.5 1.7 4.5         
                                                                                
remarks  NOE restraints for ILE 6                                               
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 6  and name ha  )   (resid 7  and name hn  ) 2.1 0.3 0.9         
assign  (resid 6  and name ha  )   (resid 7  and name hb* ) 2.9 1.1 3.1         
assign  (resid 6  and name hb  )   (resid 7  and name hn  ) 2.9 1.1 2.4         
assign  (resid 6  and name hg1*)   (resid 7  and name hn  ) 2.4 0.6 2.2         
assign  (resid 6  and name hg2*)   (resid 7  and name hn  ) 2.4 0.6 2.2         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 6  and name hn  )   (resid 48 and name ha  ) 2.9 1.1 2.4         
assign  (resid 6  and name ha  )   (resid 59 and name hn  ) 2.9 1.1 2.4         
assign  (resid 6  and name ha  )   (resid 58 and name ha  ) 2.4 0.6 0.9         
assign  (resid 6  and name hb  )   (resid 14 and name hd* ) 3.5 1.7 4.5         
assign  (resid 6  and name hg2*)   (resid 13 and name ha  ) 3.5 1.7 3.5         
assign  (resid 6  and name hg2*)   (resid 14 and name hb1 ) 2.9 1.1 3.1         
assign  (resid 6  and name hg2*)   (resid 14 and name hb2 ) 2.9 1.1 3.1         
assign  (resid 6  and name hg2*)   (resid 14 and name hd* ) 2.1 0.3 3.6         
assign  (resid 6  and name hg2*)   (resid 14 and name he* ) 2.9 1.1 5.1         
assign  (resid 6  and name hd1*)   (resid 26 and name hb1 ) 2.9 1.1 3.1         
assign  (resid 6  and name hd1*)   (resid 26 and name hb2 ) 2.9 1.1 3.1         
assign  (resid 6  and name hg2*)   (resid 27 and name ha  ) 2.9 1.1 3.1         
assign  (resid 6  and name hg2*)   (resid 47 and name hn  ) 2.4 0.6 2.2         
assign  (resid 6  and name hd1*)   (resid 56 and name hb  ) 2.9 1.1 3.1         
assign  (resid 6  and name hg1*)   (resid 14 and name hd* ) 3.5 1.7 5.5         
assign  (resid 6  and name hg1*)   (resid 14 and name he* ) 2.9 1.1 5.1         
assign  (resid 6  and name hd1*)   (resid 14 and name hd* ) 2.9 1.1 5.1         
assign  (resid 6  and name hd1*)   (resid 14 and name he* ) 3.5 1.7 5.5         
assign  (resid 6  and name hd1*)   (resid 56 and name hg1*) 2.4 0.6 2.9         
                                                                                
remarks  NOE restraints for ALA 7                                               
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 7  and name ha  )   (resid 8  and name hn  ) 2.4 0.6 1.2         
assign  (resid 7  and name hb* )   (resid 8  and name hn  ) 2.9 1.1 3.4         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 7  and name hn  )   (resid 58 and name ha  ) 2.4 0.6 1.2         
assign  (resid 7  and name hn  )   (resid 58 and name hg2*) 2.9 1.1 3.4         
assign  (resid 7  and name hn  )   (resid 58 and name hd1*) 2.9 1.1 3.4         
assign  (resid 7  and name hn  )   (resid 58 and name hb  ) 2.9 1.1 2.4         
assign  (resid 7  and name ha  )   (resid 13 and name ha  ) 3.5 1.7 2.5         
assign  (resid 7  and name ha  )   (resid 14 and name hd* ) 3.5 1.7 4.5         
assign  (resid 7  and name ha  )   (resid 59 and name hd1*) 2.9 1.1 3.1         
assign  (resid 7  and name hb* )   (resid 12 and name hn  ) 2.4 0.6 2.2         
assign  (resid 7  and name hb* )   (resid 14 and name ha  ) 2.9 1.2 3.1         
assign  (resid 7  and name hb* )   (resid 58 and name hn  ) 2.9 1.1 3.4         
assign  (resid 7  and name hb* )   (resid 58 and name ha  ) 2.4 0.6 1.9         
assign  (resid 7  and name hb* )   (resid 59 and name hn  ) 2.4 0.6 2.2         
assign  (resid 7  and name hb* )   (resid 59 and name ha  ) 2.4 0.6 1.9         
assign  (resid 7  and name hb* )   (resid 59 and name hd1*) 2.9 1.1 4.1         
assign  (resid 7  and name hb* )   (resid 11 and name ha  ) 2.9 1.1 3.1         
                                                                                
remarks  NOE restraints for GLN 8                                               
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 8  and name ha  )   (resid 9  and name hd1 ) 2.4 0.6 0.9         
assign  (resid 8  and name ha  )   (resid 9  and name hd2 ) 2.4 0.6 0.9         
assign  (resid 8  and name hb* )   (resid 9  and name hd1 ) 2.9 1.1 3.1         
assign  (resid 8  and name hb* )   (resid 9  and name hd2 ) 2.9 1.1 3.1         
remarks  medium (i+2 to i+4)  NOE restraints                                    
assign  (resid 8  and name hn  )   (resid 12 and name hn  ) 2.4 0.6 1.2         
assign  (resid 8  and name hb* )   (resid 12 and name hn  ) 3.5 1.7 3.8         
assign  (resid 8  and name hb* )   (resid 12 and name hb2 ) 2.4 0.6 1.9         
assign  (resid 8  and name hb* )   (resid 12 and name hb1 ) 2.9 1.1 3.1         
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 8  and name hn  )   (resid 14 and name he* ) 3.5 1.7 4.8         
assign  (resid 8  and name ha  )   (resid 14 and name he* ) 2.9 1.1 4.1         
assign  (resid 8  and name hg* )   (resid 14 and name hd* ) 3.5 1.7 5.5         
assign  (resid 8  and name hg* )   (resid 14 and name he* ) 2.1 0.3 3.6         
assign  (resid 8  and name hb* )   (resid 14 and name he* ) 2.4 0.6 3.9         
assign  (resid 8  and name he2*)   (resid 14 and name ha  ) 2.4 0.6 2.2         
assign  (resid 8  and name he2*)   (resid 14 and name hd* ) 3.5 1.7 5.5         
assign  (resid 8  and name he2*)   (resid 15 and name hn  ) 3.5 1.7 3.8         
                                                                                
remarks  NOE restraints for PRO 9                                               
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 9  and name ha  )   (resid 10 and name hn  ) 2.9 1.1 2.4         
assign  (resid 9  and name ha  )   (resid 10 and name ha  ) 2.9 1.1 2.1         
remarks  medium (i+2 to i+4)  NOE restraints                                    
assign  (resid 9  and name ha  )   (resid 11 and name hn  ) 2.9 1.1 2.4         
remarks  long (> i+4)         NOE restraints                                    
                                                                                
remarks  NOE restraints for GLU 10                                              
assign  (resid 10 and name hn  )   (resid 10 and name hb1 ) 2.9 1.1 2.4         
assign  (resid 10 and name hn  )   (resid 10 and name hb2 ) 2.4 0.6 1.2         
assign  (resid 10 and name ha  )   (resid 10 and name hb2 ) 2.9 1.1 2.4         
assign  (resid 10 and name ha  )   (resid 10 and name hb1 ) 2.4 0.6 1.2         
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 10 and name ha  )   (resid 11 and name hn  ) 2.4 0.6 1.2         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 10 and name hn  )   (resid 66 and name hn  ) 2.9 1.1 2.4         
assign  (resid 10 and name hn  )   (resid 67 and name ha  ) 3.5 1.7 2.8         
assign  (resid 10 and name ha  )   (resid 66 and name he1 ) 2.4 0.6 0.9         
assign  (resid 10 and name hb1 )   (resid 66 and name hb* ) 2.9 1.1 3.1         
assign  (resid 10 and name hb2 )   (resid 66 and name hb* ) 2.9 1.1 3.1         
assign  (resid 10 and name hb2 )   (resid 66 and name hn  ) 3.5 1.7 3.5         
                                                                                
remarks  NOE restraints for ASN 11                                              
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 11 and name hn  )   (resid 12 and name hn  ) 2.4 0.6 1.2         
assign  (resid 11 and name ha  )   (resid 12 and name hn  ) 2.4 0.6 1.2         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 11 and name hd22 )   (resid 43 and name he1 ) 3.5 1.7 2.8        
assign  (resid 11 and name hd21 )   (resid 63 and name hb1 ) 2.9 1.1 2.4        
assign  (resid 11 and name hd21 )   (resid 63 and name hb2 ) 2.9 1.1 2.4        
assign  (resid 11 and name hd22 )   (resid 63 and name hb1 ) 2.9 1.1 2.4        
assign  (resid 11 and name hd22 )   (resid 63 and name hb2 ) 2.9 1.1 2.4        
assign  (resid 11 and name hd21 )   (resid 60 and name hg2*) 2.9 1.1 3.4        
assign  (resid 11 and name hd21 )   (resid 60 and name hn  ) 2.9 1.1 2.4        
assign  (resid 11 and name hd22 )   (resid 60 and name hn  ) 3.5 1.7 2.8        
assign  (resid 11 and name hd21 )   (resid 63 and name hn  ) 2.9 1.1 2.4        
assign  (resid 11 and name hd21 )   (resid 59 and name hg2*) 2.9 1.1 3.4        
                                                                                
remarks  NOE restraints for CYS 12                                              
assign  (resid 12 and name hn  )    (resid 12 and name hb1 ) 2.9 1.1 2.4        
assign  (resid 12 and name hn  )    (resid 12 and name hb2 ) 2.4 0.6 1.2        
assign  (resid 12 and name ha  )    (resid 12 and name hb1 ) 2.4 0.6 1.2        
assign  (resid 12 and name ha  )    (resid 12 and name hb2 ) 2.9 1.1 2.4        
remarks  sequential (i,i+1)   NOE restraints                                    
assign  (resid 12 and name ha  )   (resid 13 and name hn  ) 2.1 0.3 0.9         
assign  (resid 12 and name hb1 )   (resid 13 and name hn  ) 2.9 1.1 2.4         
assign  (resid 12 and name hb2 )   (resid 13 and name hn  ) 2.9 1.1 2.4         
remarks  medium (i+2 to i+4)  NOE restraints                                    
remarks  long (> i+4)         NOE restraints                                    
assign  (resid 12 and name hn  )   (resid 59 and name hd1*) 3.5 1.7 3.8         
assign  (resid 12 and name hn  )   (resid 5
  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    VAL   1           HT1      VAL   1   7.455  11.536  11.536
    2   2H    VAL   1           HT3      VAL   1   8.748  10.521  10.521
    3   3H    VAL   1           HT2      VAL   1   8.916  11.615  11.615
    4    HA   VAL   1           HA       VAL   1   7.219  10.478  10.478
    5    HB   VAL   1           HB       VAL   1   8.445   8.251   8.251
    6   1HG1  VAL   1          HG13      VAL   1   8.801  10.362  10.362
    7   2HG1  VAL   1          HG12      VAL   1  10.075  10.859  10.859
    8   3HG1  VAL   1          HG11      VAL   1  10.295   9.379   9.379
    9   1HG2  VAL   1          HG23      VAL   1   9.333   7.988   7.988
   10   2HG2  VAL   1          HG22      VAL   1  10.622   7.924   7.924
   11   3HG2  VAL   1          HG21      VAL   1  10.411   9.409   9.409
   12    H    ARG   2           HN       ARG   2   6.147   8.323   8.323
   13    HA   ARG   2           HA       ARG   2   4.543   7.890   7.890
   14   1HB   ARG   2           HB2      ARG   2   4.080   6.961   6.961
   15   2HB   ARG   2           HB1      ARG   2   2.852   6.994   6.994
   16   1HG   ARG   2           HG2      ARG   2   2.764   9.447   9.447
   17   2HG   ARG   2           HG1      ARG   2   4.268   9.539   9.539
   18   1HD   ARG   2           HD2      ARG   2   2.715   9.957   9.957
   19   2HD   ARG   2           HD1      ARG   2   3.082   8.218   8.218
   20    HE   ARG   2           HE       ARG   2   0.873   7.663   7.663
   21   1HH1  ARG   2          HH11      ARG   2   1.474  11.155  11.155
   22   2HH1  ARG   2          HH12      ARG   2  -0.181  11.519  11.519
   23   1HH2  ARG   2          HH21      ARG   2  -1.342   8.184   8.184
   24   2HH2  ARG   2          HH22      ARG   2  -1.789   9.826   9.826
   25    H    ASP   3           HN       ASP   3   4.038   5.611   5.611
   26    HA   ASP   3           HA       ASP   3   5.357   3.539   3.539
   27   1HB   ASP   3           HB2      ASP   3   5.088   3.444   3.444
   28   2HB   ASP   3           HB1      ASP   3   5.775   2.193   2.193
   29    H    GLY   4           HN       GLY   4   3.465   2.220   2.220
   30   1HA   GLY   4           HA2      GLY   4   1.384   2.074   2.074
   31   2HA   GLY   4           HA1      GLY   4   0.982   3.148   3.148
   32    H    TYR   5           HN       TYR   5  -0.484   0.940   0.940
   33    HA   TYR   5           HA       TYR   5   0.751  -1.141  -1.141
   34   1HB   TYR   5           HB2      TYR   5  -2.101  -0.256  -0.256
   35   2HB   TYR   5           HB1      TYR   5  -1.790  -1.661  -1.661
   36    HD1  TYR   5           HD2      TYR   5  -0.524  -3.620  -3.620
   37    HD2  TYR   5           HD1      TYR   5  -2.038  -0.387  -0.387
   38    HE1  TYR   5           HE2      TYR   5  -0.501  -5.069  -5.069
   39    HE2  TYR   5           HE1      TYR   5  -2.054  -1.855  -1.855
   40    HH   TYR   5           HH       TYR   5  -2.022  -5.204  -5.204
   41    H    ILE   6           HN       ILE   6   0.748  -1.076  -1.076
   42    HA   ILE   6           HA       ILE   6   0.038   1.587   1.587
   43    HB   ILE   6           HB       ILE   6   2.361   1.024   1.024
   44   1HG1  ILE   6          HG12      ILE   6   0.733   1.238   1.238
   45   2HG1  ILE   6          HG11      ILE   6   1.120   2.597   2.597
   46   1HG2  ILE   6          HG23      ILE   6   2.137  -1.439  -1.439
   47   2HG2  ILE   6          HG22      ILE   6   1.254  -1.204  -1.204
   48   3HG2  ILE   6          HG21      ILE   6   2.977  -0.740  -0.740
   49   1HD1  ILE   6          HD13      ILE   6   3.578   2.238   2.238
   50   2HD1  ILE   6          HD12      ILE   6   3.139   0.920   0.920
   51   3HD1  ILE   6          HD11      ILE   6   2.620   2.613   2.613
   52    H    ALA   7           HN       ALA   7  -1.152   1.822   1.822
   53    HA   ALA   7           HA       ALA   7  -2.916  -0.312  -0.312
   54   1HB   ALA   7           HB3      ALA   7  -4.124   1.192   1.192
   55   2HB   ALA   7           HB2      ALA   7  -3.754   2.600   2.600
   56   3HB   ALA   7           HB1      ALA   7  -4.857   1.299   1.299
   57    H    GLN   8           HN       GLN   8  -4.461   1.854   1.854
   58    HA   GLN   8           HA       GLN   8  -2.626   3.219   3.219
   59   1HB   GLN   8           HB2      GLN   8  -5.297   1.856   1.856
   60   2HB   GLN   8           HB1      GLN   8  -4.344   2.995   2.995
   61   1HG   GLN   8           HG2      GLN   8  -2.459   1.380   1.380
   62   2HG   GLN   8           HG1      GLN   8  -3.312   0.252   0.252
   63   1HE2  GLN   8          HE21      GLN   8  -5.295  -1.198  -1.198
   64   2HE2  GLN   8          HE22      GLN   8  -4.795  -1.201  -1.201
   65    HA   PRO   9           HA       PRO   9  -4.310   5.508   5.508
   66   1HB   PRO   9           HB2      PRO   9  -4.644   8.153   8.153
   67   2HB   PRO   9           HB1      PRO   9  -3.061   7.286   7.286
   68   1HG   PRO   9           HG1      PRO   9  -4.900   7.524   7.524
   69   2HG   PRO   9           HG2      PRO   9  -3.112   7.824   7.824
   70   1HD   PRO   9           HD1      PRO   9  -4.112   5.410   5.410
   71   2HD   PRO   9           HD2      PRO   9  -2.647   5.459   5.459
   72    H    GLU  10           HN       GLU  10  -6.805   4.853   4.853
   73    HA   GLU  10           HA       GLU  10  -8.631   6.896   6.896
   74   1HB   GLU  10           HB2      GLU  10  -8.994   4.438   4.438
   75   2HB   GLU  10           HB1      GLU  10 -10.150   5.798   5.798
   76   1HG   GLU  10           HG2      GLU  10  -7.269   5.941   5.941
   77   2HG   GLU  10           HG1      GLU  10  -8.792   5.963   5.963
   78    H    ASN  11           HN       ASN  11  -7.840   5.532   5.532
   79    HA   ASN  11           HA       ASN  11  -8.558   4.557   4.557
   80   1HB   ASN  11           HB2      ASN  11 -10.615   6.019   6.019
   81   2HB   ASN  11           HB1      ASN  11 -11.401   4.568   4.568
   82   1HD2  ASN  11          HD21      ASN  11 -11.603   2.979   2.979
   83   2HD2  ASN  11          HD22      ASN  11 -11.086   2.602   2.602
   84    H    CYS  12           HN       CYS  12  -7.243   2.843   2.843
   85    HA   CYS  12           HA       CYS  12  -9.016   0.461   0.461
   86   1HB   CYS  12           HB2      CYS  12  -6.917   1.375   1.375
   87   2HB   CYS  12           HB1      CYS  12  -7.750  -0.208  -0.208
   88    H    VAL  13           HN       VAL  13  -6.819  -1.266  -1.266
   89    HA   VAL  13           HA       VAL  13  -4.772  -1.034  -1.034
   90    HB   VAL  13           HB       VAL  13  -5.005  -3.616  -3.616
   91   1HG1  VAL  13          HG11      VAL  13  -6.828  -1.660  -1.660
   92   2HG1  VAL  13          HG13      VAL  13  -6.430  -3.351  -3.351
   93   3HG1  VAL  13          HG12      VAL  13  -5.134  -2.127  -2.127
   94   1HG2  VAL  13          HG23      VAL  13  -6.929  -3.890  -3.890
   95   2HG2  VAL  13          HG22      VAL  13  -7.227  -4.579  -4.579
   96   3HG2  VAL  13          HG21      VAL  13  -7.997  -3.015  -3.015
   97    H    TYR  14           HN       TYR  14  -3.243  -2.824  -2.824
   98    HA   TYR  14           HA       TYR  14  -3.785  -3.294  -3.294
   99   1HB   TYR  14           HB2      TYR  14  -1.262  -2.795  -2.795
  100   2HB   TYR  14           HB1      TYR  14  -1.130  -4.241  -4.241
  101    HD1  TYR  14           HD2      TYR  14  -2.515  -3.660  -3.660
  102    HD2  TYR  14           HD1      TYR  14  -0.080  -1.071  -1.071
  103    HE1  TYR  14           HE2      TYR  14  -1.937  -2.340  -2.340
  104    HE2  TYR  14           HE1      TYR  14   0.512   0.239   0.239
  105    HH   TYR  14           HH       TYR  14  -0.950  -0.358  -0.358
  106    H    HIS  15           HN       HIS  15  -2.184  -5.854  -5.854
  107    HA   HIS  15           HA       HIS  15  -3.129  -7.187  -7.187
  108   1HB   HIS  15           HB2      HIS  15  -3.831  -8.188  -8.188
  109   2HB   HIS  15           HB1      HIS  15  -3.758  -9.239  -9.239
  110    HD1  HIS  15           HD1      HIS  15  -5.792  -6.328  -6.328
  111    HD2  HIS  15           HD2      HIS  15  -5.932  -9.107  -9.107
  112    HE1  HIS  15           HE1      HIS  15  -8.044  -6.073  -6.073
  113    HE2  HIS  15           HE2      HIS  15  -8.087  -7.757  -7.757
  114    H    CYS  16           HN       CYS  16  -1.578  -9.323  -9.323
  115    HA   CYS  16           HA       CYS  16   0.906  -8.204  -8.204
  116   1HB   CYS  16           HB2      CYS  16   0.533  -8.029  -8.029
  117   2HB   CYS  16           HB1      CYS  16   0.634  -9.810  -9.810
  118    H    PHE  17           HN       PHE  17   2.460 -10.190 -10.190
  119    HA   PHE  17           HA       PHE  17   0.982 -12.685 -12.685
  120   1HB   PHE  17           HB2      PHE  17   3.605 -11.773 -11.773
  121   2HB   PHE  17           HB1      PHE  17   2.775 -13.354 -13.354
  122    HD1  PHE  17           HD2      PHE  17  -0.144 -12.305 -12.305
  123    HD2  PHE  17           HD1      PHE  17   3.612 -10.925 -10.925
  124    HE1  PHE  17           HE2      PHE  17  -1.319 -11.310 -11.310
  125    HE2  PHE  17           HE1      PHE  17   2.416  -9.923  -9.923
  126    HZ   PHE  17           HZ       PHE  17  -0.049 -10.121 -10.121
  127    HA   PRO  18           HA       PRO  18   3.304 -12.433 -12.433
  128   1HB   PRO  18           HB2      PRO  18   3.289 -15.484 -15.484
  129   2HB   PRO  18           HB1      PRO  18   3.177 -14.565 -14.565
  130   1HG   PRO  18           HG1      PRO  18   0.912 -15.436 -15.436
  131   2HG   PRO  18           HG2      PRO  18   0.944 -13.790 -13.790
  132   1HD   PRO  18           HD1      PRO  18   0.982 -14.474 -14.474
  133   2HD   PRO  18           HD2      PRO  18   0.581 -12.920 -12.920
  134    H    GLY  19           HN       GLY  19   5.330 -11.373 -11.373
  135   1HA   GLY  19           HA2      GLY  19   7.594 -12.535 -12.535
  136   2HA   GLY  19           HA1      GLY  19   7.384 -12.853 -12.853
  137    H    SER  20           HN       SER  20   9.149 -10.982 -10.982
  138    HA   SER  20           HA       SER  20   8.118  -8.377  -8.377
  139   1HB   SER  20           HB2      SER  20  10.379  -8.024  -8.024
  140   2HB   SER  20           HB1      SER  20  10.459  -8.486  -8.486
  141    HG   SER  20           HG       SER  20  11.749  -9.828  -9.828
  142    H    SER  21           HN       SER  21   8.554 -10.704 -10.704
  143    HA   SER  21           HA       SER  21   9.368  -9.240  -9.240
  144   1HB   SER  21           HB2      SER  21   7.139 -11.215 -11.215
  145   2HB   SER  21           HB1      SER  21   8.665 -10.861 -10.861
  146    HG   SER  21           HG       SER  21   8.871 -12.756 -12.756
  147    H    GLY  22           HN       GLY  22   5.731  -9.418  -9.418
  148   1HA   GLY  22           HA2      GLY  22   5.509  -7.725  -7.725
  149   2HA   GLY  22           HA1      GLY  22   4.219  -8.166  -8.166
  150    H    CYS  23           HN       CYS  23   4.321  -6.909  -6.909
  151    HA   CYS  23           HA       CYS  23   4.346  -4.219  -4.219
  152   1HB   CYS  23           HB2      CYS  23   3.130  -3.606  -3.606
  153   2HB   CYS  23           HB1      CYS  23   2.332  -4.784  -4.784
  154    H    ASP  24           HN       ASP  24   6.730  -6.052  -6.052
  155    HA   ASP  24           HA       ASP  24   7.774  -3.751  -3.751
  156   1HB   ASP  24           HB2      ASP  24   8.529  -6.118  -6.118
  157   2HB   ASP  24           HB1      ASP  24   9.321  -6.173  -6.173
  158    H    THR  25           HN       THR  25   7.870  -5.070  -5.070
  159    HA   THR  25           HA       THR  25   9.917  -3.276  -3.276
  160    HB   THR  25           HB       THR  25   7.776  -4.620  -4.620
  161    HG1  THR  25           HG1      THR  25   8.794  -6.333  -6.333
  162   1HG2  THR  25          HG23      THR  25  10.635  -3.556  -3.556
  163   2HG2  THR  25          HG22      THR  25   9.573  -4.418  -4.418
  164   3HG2  THR  25          HG21      THR  25   9.094  -2.800  -2.800
  165    H    LEU  26           HN       LEU  26   6.312  -3.265  -3.265
  166    HA   LEU  26           HA       LEU  26   5.973  -0.777  -0.777
  167   1HB   LEU  26           HB2      LEU  26   4.238  -2.060  -2.060
  168   2HB   LEU  26           HB1      LEU  26   3.771  -0.660  -0.660
  169    HG   LEU  26           HG       LEU  26   4.373  -3.468  -3.468
  170   1HD1  LEU  26          HD13      LEU  26   2.301  -3.425  -3.425
  171   2HD1  LEU  26          HD12      LEU  26   1.694  -2.024  -2.024
  172   3HD1  LEU  26          HD11      LEU  26   1.908  -3.625  -3.625
  173   1HD2  LEU  26          HD23      LEU  26   3.273  -0.915  -0.915
  174   2HD2  LEU  26          HD22      LEU  26   4.846  -1.728  -1.728
  175   3HD2  LEU  26          HD21      LEU  26   3.306  -2.558  -2.558
  176    H    CYS  27           HN       CYS  27   6.391  -1.675  -1.675
  177    HA   CYS  27           HA       CYS  27   6.215   0.791   0.791
  178   1HB   CYS  27           HB2      CYS  27   6.661  -1.518  -1.518
  179   2HB   CYS  27           HB1      CYS  27   8.398  -1.180  -1.180
  180    H    LYS  28           HN       LYS  28   9.120  -0.633  -0.633
  181    HA   LYS  28           HA       LYS  28  10.870   1.424   1.424
  182   1HB   LYS  28           HB2      LYS  28  10.859  -0.252  -0.252
  183   2HB   LYS  28           HB1      LYS  28  12.212   0.804   0.804
  184   1HG   LYS  28           HG2      LYS  28  12.596  -0.561  -0.561
  185   2HG   LYS  28           HG1      LYS  28  11.160  -1.561  -1.561
  186   1HD   LYS  28           HD2      LYS  28  12.262  -2.263  -2.263
  187   2HD   LYS  28           HD1      LYS  28  13.730  -1.369  -1.369
  188   1HE   LYS  28           HE2      LYS  28  14.051  -3.746  -3.746
  189   2HE   LYS  28           HE1      LYS  28  13.801  -2.852  -2.852
  190   1HZ   LYS  28           HZ2      LYS  28  11.406  -3.513  -3.513
  191   2HZ   LYS  28           HZ1      LYS  28  11.875  -4.555  -4.555
  192   3HZ   LYS  28           HZ3      LYS  28  12.507  -4.769  -4.769
  193    H    GLU  29           HN       GLU  29   8.700   1.107   1.107
  194    HA   GLU  29           HA       GLU  29   9.743   3.521   3.521
  195   1HB   GLU  29           HB2      GLU  29   7.945   3.306   3.306
  196   2HB   GLU  29           HB1      GLU  29   9.005   1.870   1.870
  197   1HG   GLU  29           HG2      GLU  29   7.284   0.686   0.686
  198   2HG   GLU  29           HG1      GLU  29   6.191   2.121   2.121
  199    H    LYS  30           HN       LYS  30   7.078   2.825   2.825
  200    HA   LYS  30           HA       LYS  30   5.938   5.461   5.461
  201   1HB   LYS  30           HB2      LYS  30   5.514   3.359   3.359
  202   2HB   LYS  30           HB1      LYS  30   4.612   4.910   4.910
  203   1HG   LYS  30           HG2      LYS  30   4.614   2.718   2.718
  204   2HG   LYS  30           HG1      LYS  30   3.359   2.895   2.895
  205   1HD   LYS  30           HD2      LYS  30   2.718   5.116   5.116
  206   2HD   LYS  30           HD1      LYS  30   4.006   5.047   5.047
  207   1HE   LYS  30           HE2      LYS  30   1.639   3.062   3.062
  208   2HE   LYS  30           HE1      LYS  30   1.746   4.464   4.464
  209   1HZ   LYS  30           HZ2      LYS  30   3.616   2.153   2.153
  210   2HZ   LYS  30           HZ1      LYS  30   2.375   2.405   2.405
  211   3HZ   LYS  30           HZ3      LYS  30   3.699   3.468   3.468
  212    H    GLY  31           HN       GLY  31   8.329   3.857   3.857
  213   1HA   GLY  31           HA2      GLY  31  10.224   5.161   5.161
  214   2HA   GLY  31           HA1      GLY  31   9.211   6.587   6.587
  215    H    GLY  32           HN       GLY  32   8.776   3.201   3.201
  216   1HA   GLY  32           HA2      GLY  32   9.529   4.175   4.175
  217   2HA   GLY  32           HA1      GLY  32   8.424   2.807   2.807
  218    H    THR  33           HN       THR  33  11.172   2.946   2.946
  219    HA   THR  33           HA       THR  33  12.858   1.567   1.567
  220    HB   THR  33           HB       THR  33  14.609   2.234   2.234
  221    HG1  THR  33           HG1      THR  33  13.933   3.823   3.823
  222   1HG2  THR  33          HG23      THR  33  14.275   3.415   3.415
  223   2HG2  THR  33          HG22      THR  33  12.972   4.422   4.422
  224   3HG2  THR  33          HG21      THR  33  14.667   4.584   4.584
  225    H    SER  34           HN       SER  34  10.510   0.457   0.457
  226    HA   SER  34           HA       SER  34  11.797  -1.994  -1.994
  227   1HB   SER  34           HB2      SER  34  10.912  -1.148  -1.148
  228   2HB   SER  34           HB1      SER  34  11.250  -2.839  -2.839
  229    HG   SER  34           HG       SER  34  13.245  -0.979  -0.979
  230    H    GLY  35           HN       GLY  35   9.838  -3.606  -3.606
  231   1HA   GLY  35           HA2      GLY  35   7.316  -2.326  -2.326
  232   2HA   GLY  35           HA1      GLY  35   8.025  -2.906  -2.906
  233    H    HIS  36           HN       HIS  36   5.836  -4.185  -4.185
  234    HA   HIS  36           HA       HIS  36   7.004  -6.787  -6.787
  235   1HB   HIS  36           HB2      HIS  36   5.822  -5.271  -5.271
  236   2HB   HIS  36           HB1      HIS  36   6.318  -6.997  -6.997
  237    HD1  HIS  36           HD1      HIS  36   9.040  -7.295  -7.295
  238    HD2  HIS  36           HD2      HIS  36   7.779  -3.544  -3.544
  239    HE1  HIS  36           HE1      HIS  36  11.069  -6.109  -6.109
  240    HE2  HIS  36           HE2      HIS  36  10.254  -3.854  -3.854
  241    H    CYS  37           HN       CYS  37   4.765  -7.804  -7.804
  242    HA   CYS  37           HA       CYS  37   2.515  -6.968  -6.968
  243   1HB   CYS  37           HB2      CYS  37   2.878  -9.568  -9.568
  244   2HB   CYS  37           HB1      CYS  37   1.462  -9.150  -9.150
  245    H    GLY  38           HN       GLY  38   0.330  -7.516  -7.516
  246   1HA   GLY  38           HA2      GLY  38   0.861  -7.608  -7.608
  247   2HA   GLY  38           HA1      GLY  38   0.448  -5.915  -5.915
  248    H    PHE  39           HN       PHE  39  -1.575  -6.953  -6.953
  249    HA   PHE  39           HA       PHE  39  -3.581  -7.483  -7.483
  250   1HB   PHE  39           HB2      PHE  39  -2.999  -9.637  -9.637
  251   2HB   PHE  39           HB1      PHE  39  -3.759  -8.694  -8.694
  252    HD1  PHE  39           HD2      PHE  39  -6.215  -7.841  -7.841
  253    HD2  PHE  39           HD1      PHE  39  -4.280 -10.881 -10.881
  254    HE1  PHE  39           HE2      PHE  39  -8.418  -8.689  -8.689
  255    HE2  PHE  39           HE1      PHE  39  -6.475 -11.711 -11.711
  256    HZ   PHE  39           HZ       PHE  39  -8.559 -10.641 -10.641
  257    H    LYS  40           HN       LYS  40  -5.226  -5.914  -5.914
  258    HA   LYS  40           HA       LYS  40  -4.807  -4.284  -4.284
  259   1HB   LYS  40           HB2      LYS  40  -4.116  -3.109  -3.109
  260   2HB   LYS  40           HB1      LYS  40  -5.826  -3.219  -3.219
  261   1HG   LYS  40           HG2      LYS  40  -4.778  -1.829  -1.829
  262   2HG   LYS  40           HG1      LYS  40  -5.084  -1.006  -1.006
  263   1HD   LYS  40           HD2      LYS  40  -7.521  -1.670  -1.670
  264   2HD   LYS  40           HD1      LYS  40  -7.198  -2.335  -2.335
  265   1HE   LYS  40           HE2      LYS  40  -6.416  -0.053  -0.053
  266   2HE   LYS  40           HE1      LYS  40  -6.877   0.615   0.615
  267   1HZ   LYS  40           HZ2      LYS  40  -9.135  -0.136  -0.136
  268   2HZ   LYS  40           HZ1      LYS  40  -8.679  -0.736  -0.736
  269   3HZ   LYS  40           HZ3      LYS  40  -8.594   0.928   0.928
  270    H    VAL  41           HN       VAL  41  -6.396  -5.300  -5.300
  271    HA   VAL  41           HA       VAL  41  -8.615  -6.498  -6.498
  272    HB   VAL  41           HB       VAL  41  -8.514  -5.755  -5.755
  273   1HG1  VAL  41          HG12      VAL  41  -9.698  -8.118  -8.118
  274   2HG1  VAL  41          HG11      VAL  41  -9.777  -7.940  -7.940
  275   3HG1  VAL  41          HG13      VAL  41 -10.636  -6.759  -6.759
  276   1HG2  VAL  41          HG23      VAL  41  -7.073  -8.122  -8.122
  277   2HG2  VAL  41          HG22      VAL  41  -6.274  -6.761  -6.761
  278   3HG2  VAL  41          HG21      VAL  41  -7.313  -7.918  -7.918
  279    H    GLY  42           HN       GLY  42 -10.657  -5.641  -5.641
  280   1HA   GLY  42           HA2      GLY  42 -12.254  -3.861  -3.861
  281   2HA   GLY  42           HA1      GLY  42 -10.838  -2.727  -2.727
  282    H    HIS  43           HN       HIS  43  -9.371  -4.162  -4.162
  283    HA   HIS  43           HA       HIS  43 -11.180  -3.811  -3.811
  284   1HB   HIS  43           HB2      HIS  43  -8.163  -3.381  -3.381
  285   2HB   HIS  43           HB1      HIS  43  -8.942  -3.626  -3.626
  286    HD1  HIS  43           HD1      HIS  43  -9.316  -1.533  -1.533
  287    HD2  HIS  43           HD2      HIS  43  -9.618  -0.981  -0.981
  288    HE1  HIS  43           HE1      HIS  43  -9.676   0.922   0.922
  289    HE2  HIS  43           HE2      HIS  43  -9.851   1.232   1.232
  290    H    GLY  44           HN       GLY  44  -8.031  -5.574  -5.574
  291   1HA   GLY  44           HA2      GLY  44  -8.799  -8.081  -8.081
  292   2HA   GLY  44           HA1      GLY  44  -8.800  -7.500  -7.500
  293    H    LEU  45           HN       LEU  45  -6.881  -8.788  -8.788
  294    HA   LEU  45           HA       LEU  45  -4.507  -8.382  -8.382
  295   1HB   LEU  45           HB2      LEU  45  -5.255 -10.474 -10.474
  296   2HB   LEU  45           HB1      LEU  45  -4.679  -9.626  -9.626
  297    HG   LEU  45           HG       LEU  45  -2.824  -9.884  -9.884
  298   1HD1  LEU  45          HD12      LEU  45  -3.841 -12.162 -12.162
  299   2HD1  LEU  45          HD11      LEU  45  -3.378 -12.236 -12.236
  300   3HD1  LEU  45          HD13      LEU  45  -2.103 -12.171 -12.171
  301   1HD2  LEU  45          HD23      LEU  45  -2.037  -8.694  -8.694
  302   2HD2  LEU  45          HD22      LEU  45  -1.045 -10.126 -10.126
  303   3HD2  LEU  45          HD21      LEU  45  -2.242 -10.251 -10.251
  304    H    ALA  46           HN       ALA  46  -2.589  -7.061  -7.061
  305    HA   ALA  46           HA       ALA  46  -3.320  -5.071  -5.071
  306   1HB   ALA  46           HB2      ALA  46  -4.117  -4.187  -4.187
  307   2HB   ALA  46           HB1      ALA  46  -2.447  -4.420  -4.420
  308   3HB   ALA  46           HB3      ALA  46  -2.769  -3.215  -3.215
  309    H    CYS  47           HN       CYS  47  -0.998  -3.453  -3.453
  310    HA   CYS  47           HA       CYS  47   1.143  -5.474  -5.474
  311   1HB   CYS  47           HB2      CYS  47   0.854  -3.180  -3.180
  312   2HB   CYS  47           HB1      CYS  47   2.459  -3.866  -3.866
  313    H    TRP  48           HN       TRP  48   3.266  -3.946  -3.946
  314    HA   TRP  48           HA       TRP  48   2.311  -1.774  -1.774
  315   1HB   TRP  48           HB2      TRP  48   2.273  -3.653  -3.653
  316   2HB   TRP  48           HB1      TRP  48   3.824  -4.269  -4.269
  317    HD1  TRP  48           HD1      TRP  48   6.053  -2.884  -2.884
  318    HE1  TRP  48           HE1      TRP  48   6.716  -1.306  -1.306
  319    HE3  TRP  48           HE3      TRP  48   1.415  -2.195  -2.195
  320    HZ2  TRP  48           HZ2      TRP  48   5.339   0.126   0.126
  321    HZ3  TRP  48           HZ3      TRP  48   1.128  -0.722  -0.722
  322    HH2  TRP  48           HH2      TRP  48   3.072   0.437   0.437
  323    H    CYS  49           HN       CYS  49   4.103  -0.250  -0.250
  324    HA   CYS  49           HA       CYS  49   6.481  -0.691  -0.691
  325   1HB   CYS  49           HB2      CYS  49   4.442   1.557   1.557
  326   2HB   CYS  49           HB1      CYS  49   6.191   1.859   1.859
  327    H    ASN  50           HN       ASN  50   8.127   0.830   0.830
  328    HA   ASN  50           HA       ASN  50   7.386   2.265   2.265
  329   1HB   ASN  50           HB2      ASN  50   9.870   0.534   0.534
  330   2HB   ASN  50           HB1      ASN  50   9.918   1.830   1.830
  331   1HD2  ASN  50          HD22      ASN  50   7.974   0.109   0.109
  332   2HD2  ASN  50          HD21      ASN  50   8.459   1.676   1.676
  333    H    ALA  51           HN       ALA  51   8.038   4.373   4.373
  334    HA   ALA  51           HA       ALA  51   9.146   6.121   6.121
  335   1HB   ALA  51           HB3      ALA  51  11.308   4.910   4.910
  336   2HB   ALA  51           HB2      ALA  51  11.211   4.523   4.523
  337   3HB   ALA  51           HB1      ALA  51  11.389   6.233   6.233
  338    H    LEU  52           HN       LEU  52   6.928   5.855   5.855
  339    HA   LEU  52           HA       LEU  52   7.533   6.305   6.305
  340   1HB   LEU  52           HB2      LEU  52   4.884   6.198   6.198
  341   2HB   LEU  52           HB1      LEU  52   4.987   6.786   6.786
  342    HG   LEU  52           HG       LEU  52   5.923   4.004   4.004
  343   1HD1  LEU  52          HD12      LEU  52   3.209   4.907   4.907
  344   2HD1  LEU  52          HD11      LEU  52   3.729   3.196   3.196
  345   3HD1  LEU  52          HD13      LEU  52   3.502   4.245   4.245
  346   1HD2  LEU  52          HD22      LEU  52   6.854   4.935   4.935
  347   2HD2  LEU  52          HD21      LEU  52   5.868   3.441   3.441
  348   3HD2  LEU  52          HD23      LEU  52   5.180   5.054   5.054
  349    HA   PRO  53           HA       PRO  53   7.585  10.652  10.652
  350   1HB   PRO  53           HB2      PRO  53   6.568  10.901  10.901
  351   2HB   PRO  53           HB1      PRO  53   7.842  11.903  11.903
  352   1HG   PRO  53           HG1      PRO  53   8.560   9.872   9.872
  353   2HG   PRO  53           HG2      PRO  53   9.415  10.036  10.036
  354   1HD   PRO  53           HD1      PRO  53   7.157   8.092   8.092
  355   2HD   PRO  53           HD2      PRO  53   8.657   7.828   7.828
  356    H    ASP  54           HN       ASP  54   6.159  12.508  12.508
  357    HA   ASP  54           HA       ASP  54   3.601  11.944  11.944
  358   1HB   ASP  54           HB2      ASP  54   4.800  14.599  14.599
  359   2HB   ASP  54           HB1      ASP  54   3.277  14.449  14.449
  360    H    ASN  55           HN       ASN  55   4.672  12.439  12.439
  361    HA   ASN  55           HA       ASN  55   2.078  13.391  13.391
  362   1HB   ASN  55           HB2      ASN  55   2.982  13.389  13.389
  363   2HB   ASN  55           HB1      ASN  55   4.036  14.308  14.308
  364   1HD2  ASN  55          HD21      ASN  55   5.456  10.849  10.849
  365   2HD2  ASN  55          HD22      ASN  55   3.743  11.177  11.177
  366    H    VAL  56           HN       VAL  56   3.119  10.368  10.368
  367    HA   VAL  56           HA       VAL  56   1.694   8.992   8.992
  368    HB   VAL  56           HB       VAL  56   3.078   7.630   7.630
  369   1HG1  VAL  56          HG13      VAL  56   2.331   6.807   6.807
  370   2HG1  VAL  56          HG12      VAL  56   3.236   5.784   5.784
  371   3HG1  VAL  56          HG11      VAL  56   1.534   6.233   6.233
  372   1HG2  VAL  56          HG22      VAL  56   4.325   8.637   8.637
  373   2HG2  VAL  56          HG21      VAL  56   4.788   9.147   9.147
  374   3HG2  VAL  56          HG23      VAL  56   5.098   7.472   7.472
  375    H    GLY  57           HN       GLY  57  -0.190   7.419   7.419
  376   1HA   GLY  57           HA2      GLY  57  -1.288   8.370   8.370
  377   2HA   GLY  57           HA1      GLY  57  -2.224   8.622   8.622
  378    H    ILE  58           HN       ILE  58  -2.970   6.574   6.574
  379    HA   ILE  58           HA       ILE  58  -2.083   4.052   4.052
  380    HB   ILE  58           HB       ILE  58  -1.244   3.398   3.398
  381   1HG1  ILE  58          HG12      ILE  58  -1.129   6.438   6.438
  382   2HG1  ILE  58          HG11      ILE  58  -2.316   5.321   5.321
  383   1HG2  ILE  58          HG21      ILE  58   0.219   4.055   4.055
  384   2HG2  ILE  58          HG23      ILE  58   0.438   5.659   5.659
  385   3HG2  ILE  58          HG22      ILE  58   1.006   4.169   4.169
  386   1HD1  ILE  58          HD13      ILE  58  -0.407   3.970   3.970
  387   2HD1  ILE  58          HD12      ILE  58   0.761   5.184   5.184
  388   3HD1  ILE  58          HD11      ILE  58  -0.440   5.670   5.670
  389    H    ILE  59           HN       ILE  59  -2.999   2.991   2.991
  390    HA   ILE  59           HA       ILE  59  -5.707   2.719   2.719
  391    HB   ILE  59           HB       ILE  59  -4.941   2.200   2.200
  392   1HG1  ILE  59          HG12      ILE  59  -3.005   1.325   1.325
  393   2HG1  ILE  59          HG11      ILE  59  -4.110   0.014   0.014
  394   1HG2  ILE  59          HG22      ILE  59  -6.759   0.813   0.813
  395   2HG2  ILE  59          HG21      ILE  59  -6.386   0.130   0.130
  396   3HG2  ILE  59          HG23      ILE  59  -7.246   1.689   1.689
  397   1HD1  ILE  59          HD12      ILE  59  -4.795   0.003   0.003
  398   2HD1  ILE  59          HD11      ILE  59  -3.160   0.760   0.760
  399   3HD1  ILE  59          HD13      ILE  59  -3.316  -0.850  -0.850
  400    H    VAL  60           HN       VAL  60  -7.627   3.549   3.549
  401    HA   VAL  60           HA       VAL  60  -7.302   5.645   5.645
  402    HB   VAL  60           HB       VAL  60  -9.011   5.995   5.995
  403   1HG1  VAL  60          HG13      VAL  60  -8.118   8.002   8.002
  404   2HG1  VAL  60          HG12      VAL  60  -9.159   8.362   8.362
  405   3HG1  VAL  60          HG11      VAL  60  -9.766   7.257   7.257
  406   1HG2  VAL  60          HG21      VAL  60  -6.215   7.198   7.198
  407   2HG2  VAL  60          HG23      VAL  60  -6.692   6.039   6.039
  408   3HG2  VAL  60          HG22      VAL  60  -7.372   7.692   7.692
  409    H    GLU  61           HN       GLU  61  -9.904   5.550   5.550
  410    HA   GLU  61           HA       GLU  61 -11.518   3.906   3.906
  411   1HB   GLU  61           HB2      GLU  61 -10.478   2.009   2.009
  412   2HB   GLU  61           HB1      GLU  61 -10.566   2.741   2.741
  413   1HG   GLU  61           HG2      GLU  61 -13.095   2.482   2.482
  414   2HG   GLU  61           HG1      GLU  61 -12.922   1.845   1.845
  415    H    GLY  62           HN       GLY  62 -13.656   4.237   4.237
  416   1HA   GLY  62           HA2      GLY  62 -14.673   6.017   6.017
  417   2HA   GLY  62           HA1      GLY  62 -13.546   7.074   7.074
  418    H    GLU  63           HN       GLU  63 -13.311   5.722   5.722
  419    HA   GLU  63           HA       GLU  63 -16.053   5.276   5.276
  420   1HB   GLU  63           HB2      GLU  63 -14.258   6.944   6.944
  421   2HB   GLU  63           HB1      GLU  63 -13.681   5.462   5.462
  422   1HG   GLU  63           HG2      GLU  63 -16.168   5.022   5.022
  423   2HG   GLU  63           HG1      GLU  63 -16.534   6.672   6.672
  424    H    LYS  64           HN       LYS  64 -14.297   3.715   3.715
  425    HA   LYS  64           HA       LYS  64 -13.567   1.364   1.364
  426   1HB   LYS  64           HB2      LYS  64 -16.267   1.294   1.294
  427   2HB   LYS  64           HB1      LYS  64 -16.087   1.301   1.301
  428   1HG   LYS  64           HG2      LYS  64 -16.483  -0.964  -0.964
  429   2HG   LYS  64           HG1      LYS  64 -14.847  -0.884  -0.884
  430   1HD   LYS  64           HD2      LYS  64 -14.863  -2.253  -2.253
  431   2HD   LYS  64           HD1      LYS  64 -13.832  -0.811  -0.811
  432   1HE   LYS  64           HE2      LYS  64 -15.178  -1.301  -1.301
  433   2HE   LYS  64           HE1      LYS  64 -15.639   0.303   0.303
  434   1HZ   LYS  64           HZ2      LYS  64 -17.536  -0.761  -0.761
  435   2HZ   LYS  64           HZ1      LYS  64 -17.103  -2.261  -2.261
  436   3HZ   LYS  64           HZ3      LYS  64 -17.542  -0.969  -0.969
  437    H    CYS  65           HN       CYS  65 -13.337   0.101   0.101
  438    HA   CYS  65           HA       CYS  65 -11.648   2.035   2.035
  439   1HB   CYS  65           HB2      CYS  65 -10.894  -0.309  -0.309
  440   2HB   CYS  65           HB1      CYS  65 -12.268  -0.906  -0.906
  441    H    HIS  66           HN       HIS  66 -11.824   2.904   2.904
  442    HA   HIS  66           HA       HIS  66 -14.028   2.073   2.073
  443   1HB   HIS  66           HB2      HIS  66 -14.816   4.381   4.381
  444   2HB   HIS  66           HB1      HIS  66 -15.119   4.026   4.026
  445    HD1  HIS  66           HD1      HIS  66 -13.018   5.009   5.009
  446    HD2  HIS  66           HD2      HIS  66 -13.563   6.779   6.779
  447    HE1  HIS  66           HE1      HIS  66 -11.874   7.264   7.264
  448    HE2  HIS  66           HE2      HIS  66 -12.203   8.289   8.289
  449    H    SER  67           HN       SER  67 -13.321   2.999   2.999
  450    HA   SER  67           HA       SER  67 -11.106   4.472   4.472
  451   1HB   SER  67           HB2      SER  67 -10.732   1.378   1.378
  452   2HB   SER  67           HB1      SER  67  -9.709   2.530   2.530
  453    HG   SER  67           HG       SER  67 -10.031   2.754   2.754
  454   1HN   NH2  68           H1       NH2  68 -10.952   3.889   3.889
  455   2HN   NH2  68           H2       NH2  68 -12.504   3.503   3.503

  Start of MODEL    2
    1   1H    VAL   1           HT1      VAL   1   6.756  11.642  11.642
    2   2H    VAL   1           HT3      VAL   1   8.085  10.787  10.787
    3   3H    VAL   1           HT2      VAL   1   8.287  11.814  11.814
    4    HA   VAL   1           HA       VAL   1   6.896  10.467  10.467
    5    HB   VAL   1           HB       VAL   1   8.328   8.432   8.432
    6   1HG1  VAL   1          HG11      VAL   1   9.052  10.622  10.622
    7   2HG1  VAL   1          HG13      VAL   1   9.919  11.027  11.027
    8   3HG1  VAL   1          HG12      VAL   1  10.459   9.627   9.627
    9   1HG2  VAL   1          HG21      VAL   1   8.643   7.957   7.957
   10   2HG2  VAL   1          HG23      VAL   1  10.193   8.024   8.024
   11   3HG2  VAL   1          HG22      VAL   1   9.697   9.415   9.415
   12    H    ARG   2           HN       ARG   2   5.697   8.394   8.394
   13    HA   ARG   2           HA       ARG   2   4.275   7.683   7.683
   14   1HB   ARG   2           HB2      ARG   2   3.940   6.480   6.480
   15   2HB   ARG   2           HB1      ARG   2   2.986   6.047   6.047
   16   1HG   ARG   2           HG2      ARG   2   1.550   7.359   7.359
   17   2HG   ARG   2           HG1      ARG   2   2.192   8.506   8.506
   18   1HD   ARG   2           HD2      ARG   2   3.490   9.701   9.701
   19   2HD   ARG   2           HD1      ARG   2   3.286   8.346   8.346
   20    HE   ARG   2           HE       ARG   2   1.074   8.982   8.982
   21   1HH1  ARG   2          HH21      ARG   2   2.201  10.812  10.812
   22   2HH1  ARG   2          HH22      ARG   2   0.778  11.797  11.797
   23   1HH2  ARG   2          HH11      ARG   2  -0.737  10.433  10.433
   24   2HH2  ARG   2          HH12      ARG   2  -0.916  11.562  11.562
   25    H    ASP   3           HN       ASP   3   4.177   5.379   5.379
   26    HA   ASP   3           HA       ASP   3   5.709   3.528   3.528
   27   1HB   ASP   3           HB2      ASP   3   5.317   3.300   3.300
   28   2HB   ASP   3           HB1      ASP   3   6.068   2.081   2.081
   29    H    GLY   4           HN       GLY   4   3.851   2.171   2.171
   30   1HA   GLY   4           HA2      GLY   4   1.466   2.380   2.380
   31   2HA   GLY   4           HA1      GLY   4   1.495   3.419   3.419
   32    H    TYR   5           HN       TYR   5  -0.371   1.547   1.547
   33    HA   TYR   5           HA       TYR   5   0.715  -0.784  -0.784
   34   1HB   TYR   5           HB2      TYR   5  -2.149   0.159   0.159
   35   2HB   TYR   5           HB1      TYR   5  -1.779  -1.220  -1.220
   36    HD1  TYR   5           HD2      TYR   5  -1.517  -0.041  -0.041
   37    HD2  TYR   5           HD1      TYR   5  -1.031  -3.288  -3.288
   38    HE1  TYR   5           HE2      TYR   5  -1.498  -1.643  -1.643
   39    HE2  TYR   5           HE1      TYR   5  -1.052  -4.885  -4.885
   40    HH   TYR   5           HH       TYR   5  -2.084  -4.998  -4.998
   41    H    ILE   6           HN       ILE   6   0.966  -0.667  -0.667
   42    HA   ILE   6           HA       ILE   6   0.080   1.874   1.874
   43    HB   ILE   6           HB       ILE   6   2.444   1.439   1.439
   44   1HG1  ILE   6          HG12      ILE   6   0.966   1.528   1.528
   45   2HG1  ILE   6          HG11      ILE   6   1.087   2.903   2.903
   46   1HG2  ILE   6          HG21      ILE   6   2.406  -1.024  -1.024
   47   2HG2  ILE   6          HG23      ILE   6   1.477  -0.875  -0.875
   48   3HG2  ILE   6          HG22      ILE   6   3.166  -0.289  -0.289
   49   1HD1  ILE   6          HD11      ILE   6   3.585   2.886   2.886
   50   2HD1  ILE   6          HD13      ILE   6   3.464   1.545   1.545
   51   3HD1  ILE   6          HD12      ILE   6   2.743   3.149   3.149
   52    H    ALA   7           HN       ALA   7  -0.934   1.909   1.909
   53    HA   ALA   7           HA       ALA   7  -2.767  -0.270  -0.270
   54   1HB   ALA   7           HB1      ALA   7  -3.676   1.423   1.423
   55   2HB   ALA   7           HB3      ALA   7  -3.470   2.704   2.704
   56   3HB   ALA   7           HB2      ALA   7  -4.655   1.392   1.392
   57    H    GLN   8           HN       GLN   8  -4.468   1.441   1.441
   58    HA   GLN   8           HA       GLN   8  -2.861   2.787   2.787
   59   1HB   GLN   8           HB2      GLN   8  -5.790   1.762   1.762
   60   2HB   GLN   8           HB1      GLN   8  -4.921   2.724   2.724
   61   1HG   GLN   8           HG2      GLN   8  -3.263   0.868   0.868
   62   2HG   GLN   8           HG1      GLN   8  -4.165  -0.138  -0.138
   63   1HE2  GLN   8          HE21      GLN   8  -6.533  -1.211  -1.211
   64   2HE2  GLN   8          HE22      GLN   8  -5.888  -1.374  -1.374
   65    HA   PRO   9           HA       PRO   9  -4.011   5.604   5.604
   66   1HB   PRO   9           HB2      PRO   9  -4.122   8.122   8.122
   67   2HB   PRO   9           HB1      PRO   9  -2.626   7.129   7.129
   68   1HG   PRO   9           HG1      PRO   9  -4.531   7.209   7.209
   69   2HG   PRO   9           HG2      PRO   9  -2.723   7.384   7.384
   70   1HD   PRO   9           HD1      PRO   9  -3.911   4.956   4.956
   71   2HD   PRO   9           HD2      PRO   9  -2.440   5.018   5.018
   72    H    GLU  10           HN       GLU  10  -6.686   5.254   5.254
   73    HA   GLU  10           HA       GLU  10  -8.239   7.288   7.288
   74   1HB   GLU  10           HB2      GLU  10  -9.015   5.289   5.289
   75   2HB   GLU  10           HB1      GLU  10  -9.971   6.704   6.704
   76   1HG   GLU  10           HG2      GLU  10  -7.240   6.761   6.761
   77   2HG   GLU  10           HG1      GLU  10  -8.843   7.196   7.196
   78    H    ASN  11           HN       ASN  11  -7.475   5.805   5.805
   79    HA   ASN  11           HA       ASN  11  -8.156   4.993   4.993
   80   1HB   ASN  11           HB2      ASN  11 -10.360   6.286   6.286
   81   2HB   ASN  11           HB1      ASN  11 -11.077   4.650   4.650
   82   1HD2  ASN  11          HD21      ASN  11 -10.727   4.326   4.326
   83   2HD2  ASN  11          HD22      ASN  11 -11.157   3.501   3.501
   84    H    CYS  12           HN       CYS  12  -6.990   3.150   3.150
   85    HA   CYS  12           HA       CYS  12  -8.796   0.808   0.808
   86   1HB   CYS  12           HB2      CYS  12  -7.341   2.044   2.044
   87   2HB   CYS  12           HB1      CYS  12  -6.515   0.535   0.535
   88    H    VAL  13           HN       VAL  13  -6.817  -1.159  -1.159
   89    HA   VAL  13           HA       VAL  13  -4.672  -0.993  -0.993
   90    HB   VAL  13           HB       VAL  13  -4.815  -3.510  -3.510
   91   1HG1  VAL  13          HG11      VAL  13  -6.810  -1.643  -1.643
   92   2HG1  VAL  13          HG13      VAL  13  -6.517  -3.354  -3.354
   93   3HG1  VAL  13          HG12      VAL  13  -5.184  -2.171  -2.171
   94   1HG2  VAL  13          HG23      VAL  13  -6.569  -4.021  -4.021
   95   2HG2  VAL  13          HG22      VAL  13  -6.962  -4.650  -4.650
   96   3HG2  VAL  13          HG21      VAL  13  -7.802  -3.167  -3.167
   97    H    TYR  14           HN       TYR  14  -3.227  -2.908  -2.908
   98    HA   TYR  14           HA       TYR  14  -3.710  -3.218  -3.218
   99   1HB   TYR  14           HB2      TYR  14  -1.138  -2.908  -2.908
  100   2HB   TYR  14           HB1      TYR  14  -1.102  -4.009  -4.009
  101    HD1  TYR  14           HD2      TYR  14  -2.535  -2.305  -2.305
  102    HD2  TYR  14           HD1      TYR  14   0.556  -1.535  -1.535
  103    HE1  TYR  14           HE2      TYR  14  -1.538  -0.640  -0.640
  104    HE2  TYR  14           HE1      TYR  14   1.551   0.143   0.143
  105    HH   TYR  14           HH       TYR  14   1.514   1.038   1.038
  106    H    HIS  15           HN       HIS  15  -3.286  -5.722  -5.722
  107    HA   HIS  15           HA       HIS  15  -3.488  -7.029  -7.029
  108   1HB   HIS  15           HB2      HIS  15  -4.057  -7.998  -7.998
  109   2HB   HIS  15           HB1      HIS  15  -3.753  -9.134  -9.134
  110    HD1  HIS  15           HD1      HIS  15  -6.218  -6.271  -6.271
  111    HD2  HIS  15           HD2      HIS  15  -5.936  -9.837  -9.837
  112    HE1  HIS  15           HE1      HIS  15  -8.466  -6.659  -6.659
  113    HE2  HIS  15           HE2      HIS  15  -8.265  -8.833  -8.833
  114    H    CYS  16           HN       CYS  16  -1.743  -8.459  -8.459
  115    HA   CYS  16           HA       CYS  16   0.728  -7.757  -7.757
  116   1HB   CYS  16           HB2      CYS  16   0.456  -7.601  -7.601
  117   2HB   CYS  16           HB1      CYS  16   0.215  -9.367  -9.367
  118    H    PHE  17           HN       PHE  17   2.281  -9.641  -9.641
  119    HA   PHE  17           HA       PHE  17   0.902 -12.117 -12.117
  120   1HB   PHE  17           HB2      PHE  17   3.606 -10.884 -10.884
  121   2HB   PHE  17           HB1      PHE  17   2.985 -12.515 -12.515
  122    HD1  PHE  17           HD2      PHE  17   0.922 -12.694 -12.694
  123    HD2  PHE  17           HD1      PHE  17   2.656  -8.860  -8.860
  124    HE1  PHE  17           HE2      PHE  17  -0.398 -11.659 -11.659
  125    HE2  PHE  17           HE1      PHE  17   1.337  -7.834  -7.834
  126    HZ   PHE  17           HZ       PHE  17  -0.211  -9.225  -9.225
  127    HA   PRO  18           HA       PRO  18   2.796 -11.948 -11.948
  128   1HB   PRO  18           HB2      PRO  18   2.132 -14.608 -14.608
  129   2HB   PRO  18           HB1      PRO  18   1.216 -13.074 -13.074
  130   1HG   PRO  18           HG1      PRO  18   0.841 -15.238 -15.238
  131   2HG   PRO  18           HG2      PRO  18  -0.432 -14.232 -14.232
  132   1HD   PRO  18           HD1      PRO  18   0.392 -13.748 -13.748
  133   2HD   PRO  18           HD2      PRO  18   0.023 -12.363 -12.363
  134    H    GLY  19           HN       GLY  19   4.968 -11.880 -11.880
  135   1HA   GLY  19           HA2      GLY  19   6.775 -13.803 -13.803
  136   2HA   GLY  19           HA1      GLY  19   6.475 -13.757 -13.757
  137    H    SER  20           HN       SER  20   5.539 -11.338 -11.338
  138    HA   SER  20           HA       SER  20   5.413  -9.225  -9.225
  139   1HB   SER  20           HB2      SER  20   8.440  -9.110  -9.110
  140   2HB   SER  20           HB1      SER  20   7.241  -7.774  -7.774
  141    HG   SER  20           HG       SER  20   7.496 -10.236 -10.236
  142    H    SER  21           HN       SER  21   7.825 -10.827 -10.827
  143    HA   SER  21           HA       SER  21   9.184  -9.042  -9.042
  144   1HB   SER  21           HB2      SER  21   7.886 -11.203 -11.203
  145   2HB   SER  21           HB1      SER  21   9.601 -10.632 -10.632
  146    HG   SER  21           HG       SER  21   9.392 -12.585 -12.585
  147    H    GLY  22           HN       GLY  22   5.928  -9.773  -9.773
  148   1HA   GLY  22           HA2      GLY  22   6.294  -7.966  -7.966
  149   2HA   GLY  22           HA1      GLY  22   4.754  -8.717  -8.717
  150    H    CYS  23           HN       CYS  23   4.819  -7.615  -7.615
  151    HA   CYS  23           HA       CYS  23   3.672  -5.078  -5.078
  152   1HB   CYS  23           HB2      CYS  23   2.520  -6.868  -6.868
  153   2HB   CYS  23           HB1      CYS  23   3.469  -6.042  -6.042
  154    H    ASP  24           HN       ASP  24   6.334  -6.440  -6.440
  155    HA   ASP  24           HA       ASP  24   7.155  -4.011  -4.011
  156   1HB   ASP  24           HB2      ASP  24   8.045  -6.286  -6.286
  157   2HB   ASP  24           HB1      ASP  24   8.957  -6.354  -6.354
  158    H    THR  25           HN       THR  25   7.639  -5.492  -5.492
  159    HA   THR  25           HA       THR  25   9.439  -3.512  -3.512
  160    HB   THR  25           HB       THR  25   7.424  -5.086  -5.086
  161    HG1  THR  25           HG1      THR  25   8.791  -6.490  -6.490
  162   1HG2  THR  25          HG21      THR  25  10.108  -3.735  -3.735
  163   2HG2  THR  25          HG23      THR  25   9.084  -4.740  -4.740
  164   3HG2  THR  25          HG22      THR  25   8.475  -3.158  -3.158
  165    H    LEU  26           HN       LEU  26   5.831  -3.637  -3.637
  166    HA   LEU  26           HA       LEU  26   5.402  -1.243  -1.243
  167   1HB   LEU  26           HB2      LEU  26   3.687  -2.431  -2.431
  168   2HB   LEU  26           HB1      LEU  26   3.202  -1.119  -1.119
  169    HG   LEU  26           HG       LEU  26   3.777  -4.040  -4.040
  170   1HD1  LEU  26          HD11      LEU  26   1.596  -3.632  -3.632
  171   2HD1  LEU  26          HD13      LEU  26   1.155  -2.431  -2.431
  172   3HD1  LEU  26          HD12      LEU  26   1.382  -4.160  -4.160
  173   1HD2  LEU  26          HD23      LEU  26   2.964  -1.710  -1.710
  174   2HD2  LEU  26          HD22      LEU  26   4.530  -2.603  -2.603
  175   3HD2  LEU  26          HD21      LEU  26   3.011  -3.455  -3.455
  176    H    CYS  27           HN       CYS  27   5.908  -1.981  -1.981
  177    HA   CYS  27           HA       CYS  27   5.684   0.567   0.567
  178   1HB   CYS  27           HB2      CYS  27   5.903  -1.599  -1.599
  179   2HB   CYS  27           HB1      CYS  27   7.641  -1.621  -1.621
  180    H    LYS  28           HN       LYS  28   8.587  -1.037  -1.037
  181    HA   LYS  28           HA       LYS  28  10.352   1.058   1.058
  182   1HB   LYS  28           HB2      LYS  28  10.492  -0.810  -0.810
  183   2HB   LYS  28           HB1      LYS  28  11.827   0.240   0.240
  184   1HG   LYS  28           HG2      LYS  28  10.652  -2.123  -2.123
  185   2HG   LYS  28           HG1      LYS  28  12.040  -2.187  -2.187
  186   1HD   LYS  28           HD2      LYS  28  13.022  -2.169  -2.169
  187   2HD   LYS  28           HD1      LYS  28  13.263  -0.491  -0.491
  188   1HE   LYS  28           HE2      LYS  28  12.572  -1.158  -1.158
  189   2HE   LYS  28           HE1      LYS  28  12.016   0.385   0.385
  190   1HZ   LYS  28           HZ2      LYS  28  10.379  -2.081  -2.081
  191   2HZ   LYS  28           HZ1      LYS  28  10.354  -1.025  -1.025
  192   3HZ   LYS  28           HZ3      LYS  28   9.918  -0.461  -0.461
  193    H    GLU  29           HN       GLU  29   8.405   0.462   0.462
  194    HA   GLU  29           HA       GLU  29   9.543   2.691   2.691
  195   1HB   GLU  29           HB2      GLU  29   7.821   2.414   2.414
  196   2HB   GLU  29           HB1      GLU  29   8.620   0.865   0.865
  197   1HG   GLU  29           HG2      GLU  29   6.663   0.297   0.297
  198   2HG   GLU  29           HG1      GLU  29   5.837   1.814   1.814
  199    H    LYS  30           HN       LYS  30   6.921   2.527   2.527
  200    HA   LYS  30           HA       LYS  30   6.043   5.233   5.233
  201   1HB   LYS  30           HB2      LYS  30   4.947   3.138   3.138
  202   2HB   LYS  30           HB1      LYS  30   4.375   4.843   4.843
  203   1HG   LYS  30           HG2      LYS  30   4.113   2.938   2.938
  204   2HG   LYS  30           HG1      LYS  30   2.833   3.401   3.401
  205   1HD   LYS  30           HD2      LYS  30   3.357   5.893   5.893
  206   2HD   LYS  30           HD1      LYS  30   4.222   5.153   5.153
  207   1HE   LYS  30           HE2      LYS  30   1.976   5.736   5.736
  208   2HE   LYS  30           HE1      LYS  30   2.038   3.931   3.931
  209   1HZ   LYS  30           HZ2      LYS  30   0.990   4.142   4.142
  210   2HZ   LYS  30           HZ1      LYS  30   0.877   5.824   5.824
  211   3HZ   LYS  30           HZ3      LYS  30   0.039   4.786   4.786
  212    H    GLY  31           HN       GLY  31   8.623   4.054   4.054
  213   1HA   GLY  31           HA2      GLY  31  10.089   5.235   5.235
  214   2HA   GLY  31           HA1      GLY  31   8.915   6.606   6.606
  215    H    GLY  32           HN       GLY  32   8.334   3.247   3.247
  216   1HA   GLY  32           HA2      GLY  32   8.571   4.239   4.239
  217   2HA   GLY  32           HA1      GLY  32   7.827   2.698   2.698
  218    H    THR  33           HN       THR  33  10.293   3.253   3.253
  219    HA   THR  33           HA       THR  33  12.457   2.743   2.743
  220    HB   THR  33           HB       THR  33  12.564   3.918   3.918
  221    HG1  THR  33           HG1      THR  33  11.226   5.278   5.278
  222   1HG2  THR  33          HG21      THR  33  14.460   4.141   4.141
  223   2HG2  THR  33          HG23      THR  33  14.672   4.976   4.976
  224   3HG2  THR  33          HG22      THR  33  14.775   3.186   3.186
  225    H    SER  34           HN       SER  34  10.506   1.020   1.020
  226    HA   SER  34           HA       SER  34  12.024  -1.213  -1.213
  227   1HB   SER  34           HB2      SER  34  11.763  -0.399  -0.399
  228   2HB   SER  34           HB1      SER  34  12.247  -2.034  -2.034
  229    HG   SER  34           HG       SER  34  13.667   0.135   0.135
  230    H    GLY  35           HN       GLY  35  10.223  -3.044  -3.044
  231   1HA   GLY  35           HA2      GLY  35   7.878  -1.891  -1.891
  232   2HA   GLY  35           HA1      GLY  35   7.821  -2.341  -2.341
  233    H    HIS  36           HN       HIS  36   6.213  -4.083  -4.083
  234    HA   HIS  36           HA       HIS  36   7.257  -6.499  -6.499
  235   1HB   HIS  36           HB2      HIS  36   6.638  -7.332  -7.332
  236   2HB   HIS  36           HB1      HIS  36   8.201  -6.490  -6.490
  237    HD1  HIS  36           HD1      HIS  36   4.670  -5.720  -5.720
  238    HD2  HIS  36           HD2      HIS  36   8.675  -4.592  -4.592
  239    HE1  HIS  36           HE1      HIS  36   4.753  -4.213  -4.213
  240    HE2  HIS  36           HE2      HIS  36   7.190  -3.606  -3.606
  241    H    CYS  37           HN       CYS  37   4.704  -7.220  -7.220
  242    HA   CYS  37           HA       CYS  37   2.727  -5.599  -5.599
  243   1HB   CYS  37           HB2      CYS  37   2.970  -8.633  -8.633
  244   2HB   CYS  37           HB1      CYS  37   1.488  -7.668  -7.668
  245    H    GLY  38           HN       GLY  38   0.528  -7.069  -7.069
  246   1HA   GLY  38           HA2      GLY  38   0.861  -8.376  -8.376
  247   2HA   GLY  38           HA1      GLY  38   0.582  -6.583  -6.583
  248    H    PHE  39           HN       PHE  39  -1.702  -7.295  -7.295
  249    HA   PHE  39           HA       PHE  39  -3.425  -7.654  -7.654
  250   1HB   PHE  39           HB2      PHE  39  -3.157  -9.787  -9.787
  251   2HB   PHE  39           HB1      PHE  39  -4.028  -8.779  -8.779
  252    HD1  PHE  39           HD1      PHE  39  -4.200 -10.596 -10.596
  253    HD2  PHE  39           HD2      PHE  39  -6.417  -8.253  -8.253
  254    HE1  PHE  39           HE1      PHE  39  -6.319 -11.397 -11.397
  255    HE2  PHE  39           HE2      PHE  39  -8.535  -9.050  -9.050
  256    HZ   PHE  39           HZ       PHE  39  -8.492 -10.626 -10.626
  257    H    LYS  40           HN       LYS  40  -5.334  -6.215  -6.215
  258    HA   LYS  40           HA       LYS  40  -5.171  -4.630  -4.630
  259   1HB   LYS  40           HB2      LYS  40  -4.255  -3.296  -3.296
  260   2HB   LYS  40           HB1      LYS  40  -5.825  -3.470  -3.470
  261   1HG   LYS  40           HG2      LYS  40  -5.520  -2.270  -2.270
  262   2HG   LYS  40           HG1      LYS  40  -5.262  -1.273  -1.273
  263   1HD   LYS  40           HD2      LYS  40  -7.907  -2.721  -2.721
  264   2HD   LYS  40           HD1      LYS  40  -7.553  -1.045  -1.045
  265   1HE   LYS  40           HE2      LYS  40  -7.336  -0.295  -0.295
  266   2HE   LYS  40           HE1      LYS  40  -7.432  -1.987  -1.987
  267   1HZ   LYS  40           HZ2      LYS  40  -9.588  -0.724  -0.724
  268   2HZ   LYS  40           HZ1      LYS  40  -9.503  -0.670  -0.670
  269   3HZ   LYS  40           HZ3      LYS  40  -9.636  -2.162  -2.162
  270    H    VAL  41           HN       VAL  41  -6.943  -5.435  -5.435
  271    HA   VAL  41           HA       VAL  41  -8.943  -6.796  -6.796
  272    HB   VAL  41           HB       VAL  41  -9.450  -5.956  -5.956
  273   1HG1  VAL  41          HG11      VAL  41 -11.055  -7.424  -7.424
  274   2HG1  VAL  41          HG13      VAL  41  -9.731  -8.624  -8.624
  275   3HG1  VAL  41          HG12      VAL  41 -10.318  -8.291  -8.291
  276   1HG2  VAL  41          HG21      VAL  41  -7.208  -7.914  -7.914
  277   2HG2  VAL  41          HG23      VAL  41  -7.061  -6.419  -6.419
  278   3HG2  VAL  41          HG22      VAL  41  -7.960  -7.842  -7.842
  279    H    GLY  42           HN       GLY  42 -10.858  -5.888  -5.888
  280   1HA   GLY  42           HA2      GLY  42 -12.548  -4.121  -4.121
  281   2HA   GLY  42           HA1      GLY  42 -11.117  -3.002  -3.002
  282    H    HIS  43           HN       HIS  43  -9.582  -4.386  -4.386
  283    HA   HIS  43           HA       HIS  43 -11.403  -4.288  -4.288
  284   1HB   HIS  43           HB2      HIS  43  -8.486  -3.389  -3.389
  285   2HB   HIS  43           HB1      HIS  43  -9.292  -3.780  -3.780
  286    HD1  HIS  43           HD1      HIS  43  -8.341  -1.182  -1.182
  287    HD2  HIS  43           HD2      HIS  43 -11.987  -1.803  -1.803
  288    HE1  HIS  43           HE1      HIS  43  -9.542   1.006   1.006
  289    HE2  HIS  43           HE2      HIS  43 -11.782   0.598   0.598
  290    H    GLY  44           HN       GLY  44  -8.001  -5.518  -5.518
  291   1HA   GLY  44           HA2      GLY  44  -8.604  -8.091  -8.091
  292   2HA   GLY  44           HA1      GLY  44  -8.532  -7.729  -7.729
  293    H    LEU  45           HN       LEU  45  -6.617  -8.792  -8.792
  294    HA   LEU  45           HA       LEU  45  -4.223  -8.530  -8.530
  295   1HB   LEU  45           HB2      LEU  45  -4.914 -10.417 -10.417
  296   2HB   LEU  45           HB1      LEU  45  -4.849  -9.232  -9.232
  297    HG   LEU  45           HG       LEU  45  -2.365  -8.987  -8.987
  298   1HD1  LEU  45          HD12      LEU  45  -2.728 -11.395 -11.395
  299   2HD1  LEU  45          HD11      LEU  45  -1.161 -10.759 -10.759
  300   3HD1  LEU  45          HD13      LEU  45  -2.169  -9.742  -9.742
  301   1HD2  LEU  45          HD21      LEU  45  -3.449 -11.812 -11.812
  302   2HD2  LEU  45          HD23      LEU  45  -3.284 -10.443 -10.443
  303   3HD2  LEU  45          HD22      LEU  45  -1.819 -11.197 -11.197
  304    H    ALA  46           HN       ALA  46  -2.447  -6.923  -6.923
  305    HA   ALA  46           HA       ALA  46  -3.173  -4.776  -4.776
  306   1HB   ALA  46           HB3      ALA  46  -2.773  -4.527  -4.527
  307   2HB   ALA  46           HB2      ALA  46  -2.769  -3.125  -3.125
  308   3HB   ALA  46           HB1      ALA  46  -4.254  -4.111  -4.111
  309    H    CYS  47           HN       CYS  47  -0.971  -3.210  -3.210
  310    HA   CYS  47           HA       CYS  47   1.250  -5.126  -5.126
  311   1HB   CYS  47           HB2      CYS  47   1.119  -2.818  -2.818
  312   2HB   CYS  47           HB1      CYS  47   2.524  -3.915  -3.915
  313    H    TRP  48           HN       TRP  48   3.357  -3.337  -3.337
  314    HA   TRP  48           HA       TRP  48   2.371  -1.263  -1.263
  315   1HB   TRP  48           HB2      TRP  48   2.398  -3.179  -3.179
  316   2HB   TRP  48           HB1      TRP  48   3.966  -3.728  -3.728
  317    HD1  TRP  48           HD1      TRP  48   6.171  -2.236  -2.236
  318    HE1  TRP  48           HE1      TRP  48   6.759  -0.932  -0.932
  319    HE3  TRP  48           HE3      TRP  48   1.457  -1.859  -1.859
  320    HZ2  TRP  48           HZ2      TRP  48   5.310   0.168   0.168
  321    HZ3  TRP  48           HZ3      TRP  48   1.110  -0.657  -0.657
  322    HH2  TRP  48           HH2      TRP  48   3.013   0.338   0.338
  323    H    CYS  49           HN       CYS  49   4.103   0.288   0.288
  324    HA   CYS  49           HA       CYS  49   6.549  -0.274  -0.274
  325   1HB   CYS  49           HB2      CYS  49   4.887   2.294   2.294
  326   2HB   CYS  49           HB1      CYS  49   6.640   2.204   2.204
  327    H    ASN  50           HN       ASN  50   8.290   0.920   0.920
  328    HA   ASN  50           HA       ASN  50   7.610   2.413   2.413
  329   1HB   ASN  50           HB2      ASN  50  10.081   0.694   0.694
  330   2HB   ASN  50           HB1      ASN  50  10.139   1.991   1.991
  331   1HD2  ASN  50          HD21      ASN  50   8.370   0.198   0.198
  332   2HD2  ASN  50          HD22      ASN  50   8.920   1.758   1.758
  333    H    ALA  51           HN       ALA  51   8.107   4.540   4.540
  334    HA   ALA  51           HA       ALA  51   8.935   6.365   6.365
  335   1HB   ALA  51           HB1      ALA  51  11.359   4.886   4.886
  336   2HB   ALA  51           HB3      ALA  51  11.223   6.677   6.677
  337   3HB   ALA  51           HB2      ALA  51  11.193   5.668   5.668
  338    H    LEU  52           HN       LEU  52   7.019   6.347   6.347
  339    HA   LEU  52           HA       LEU  52   7.594   6.737   6.737
  340   1HB   LEU  52           HB2      LEU  52   4.945   6.525   6.525
  341   2HB   LEU  52           HB1      LEU  52   5.002   7.271   7.271
  342    HG   LEU  52           HG       LEU  52   5.991   4.425   4.425
  343   1HD1  LEU  52          HD11      LEU  52   3.632   4.615   4.615
  344   2HD1  LEU  52          HD13      LEU  52   3.133   5.314   5.314
  345   3HD1  LEU  52          HD12      LEU  52   3.730   3.616   3.616
  346   1HD2  LEU  52          HD23      LEU  52   6.572   5.671   5.671
  347   2HD2  LEU  52          HD22      LEU  52   5.652   4.157   4.157
  348   3HD2  LEU  52          HD21      LEU  52   4.846   5.754   5.754
  349    HA   PRO  53           HA       PRO  53   7.438  10.897  10.897
  350   1HB   PRO  53           HB2      PRO  53   7.270  12.455  12.455
  351   2HB   PRO  53           HB1      PRO  53   8.768  11.558  11.558
  352   1HG   PRO  53           HG1      PRO  53   6.660  10.724  10.724
  353   2HG   PRO  53           HG2      PRO  53   8.465  10.641  10.641
  354   1HD   PRO  53           HD1      PRO  53   6.803   8.477   8.477
  355   2HD   PRO  53           HD2      PRO  53   8.541   8.634   8.634
  356    H    ASP  54           HN       ASP  54   5.886  12.870  12.870
  357    HA   ASP  54           HA       ASP  54   3.418  11.588  11.588
  358   1HB   ASP  54           HB2      ASP  54   4.307  14.500  14.500
  359   2HB   ASP  54           HB1      ASP  54   2.810  13.786  13.786
  360    H    ASN  55           HN       ASN  55   4.398  12.693  12.693
  361    HA   ASN  55           HA       ASN  55   1.861  13.972  13.972
  362   1HB   ASN  55           HB2      ASN  55   2.855  14.233  14.233
  363   2HB   ASN  55           HB1      ASN  55   3.855  14.996  14.996
  364   1HD2  ASN  55          HD21      ASN  55   5.435  11.930  11.930
  365   2HD2  ASN  55          HD22      ASN  55   3.759  12.362  12.362
  366    H    VAL  56           HN       VAL  56   2.862  10.849  10.849
  367    HA   VAL  56           HA       VAL  56   1.490   9.747   9.747
  368    HB   VAL  56           HB       VAL  56   2.805   8.186   8.186
  369   1HG1  VAL  56          HG13      VAL  56   2.076   7.566   7.566
  370   2HG1  VAL  56          HG12      VAL  56   3.049   6.484   6.484
  371   3HG1  VAL  56          HG11      VAL  56   1.350   6.818   6.818
  372   1HG2  VAL  56          HG23      VAL  56   4.050   9.437   9.437
  373   2HG2  VAL  56          HG22      VAL  56   4.533   9.751   9.751
  374   3HG2  VAL  56          HG21      VAL  56   4.825   8.144   8.144
  375    H    GLY  57           HN       GLY  57  -0.294   7.935   7.935
  376   1HA   GLY  57           HA2      GLY  57  -1.642   8.608   8.608
  377   2HA   GLY  57           HA1      GLY  57  -2.501   8.869   8.869
  378    H    ILE  58           HN       ILE  58  -3.072   6.585   6.585
  379    HA   ILE  58           HA       ILE  58  -1.928   4.276   4.276
  380    HB   ILE  58           HB       ILE  58  -0.916   3.573   3.573
  381   1HG1  ILE  58          HG12      ILE  58  -0.972   6.583   6.583
  382   2HG1  ILE  58          HG11      ILE  58  -2.108   5.395   5.395
  383   1HG2  ILE  58          HG22      ILE  58   0.362   4.503   4.503
  384   2HG2  ILE  58          HG21      ILE  58   0.528   6.028   6.028
  385   3HG2  ILE  58          HG23      ILE  58   1.199   4.497   4.497
  386   1HD1  ILE  58          HD13      ILE  58  -0.172   4.038   4.038
  387   2HD1  ILE  58          HD12      ILE  58   0.963   5.310   5.310
  388   3HD1  ILE  58          HD11      ILE  58  -0.221   5.716   5.716
  389    H    ILE  59           HN       ILE  59  -2.578   2.949   2.949
  390    HA   ILE  59           HA       ILE  59  -5.434   2.775   2.775
  391    HB   ILE  59           HB       ILE  59  -3.460   1.923   1.923
  392   1HG1  ILE  59          HG12      ILE  59  -4.543  -0.284  -0.284
  393   2HG1  ILE  59          HG11      ILE  59  -5.739   0.369   0.369
  394   1HG2  ILE  59          HG23      ILE  59  -6.523   2.045   2.045
  395   2HG2  ILE  59          HG22      ILE  59  -5.392   1.110   1.110
  396   3HG2  ILE  59          HG21      ILE  59  -5.271   2.890   2.890
  397   1HD1  ILE  59          HD13      ILE  59  -2.913   0.727   0.727
  398   2HD1  ILE  59          HD12      ILE  59  -3.402  -0.983  -0.983
  399   3HD1  ILE  59          HD11      ILE  59  -4.373   0.079   0.079
  400    H    VAL  60           HN       VAL  60  -6.973   4.225   4.225
  401    HA   VAL  60           HA       VAL  60  -6.127   6.290   6.290
  402    HB   VAL  60           HB       VAL  60  -7.587   6.501   6.501
  403   1HG1  VAL  60          HG11      VAL  60  -7.367   8.634   8.634
  404   2HG1  VAL  60          HG13      VAL  60  -7.929   8.923   8.923
  405   3HG1  VAL  60          HG12      VAL  60  -8.876   7.838   7.838
  406   1HG2  VAL  60          HG22      VAL  60  -5.021   7.859   7.859
  407   2HG2  VAL  60          HG21      VAL  60  -5.142   6.610   6.610
  408   3HG2  VAL  60          HG23      VAL  60  -5.845   8.240   8.240
  409    H    GLU  61           HN       GLU  61  -7.985   6.359   6.359
  410    HA   GLU  61           HA       GLU  61  -9.819   5.987   5.987
  411   1HB   GLU  61           HB2      GLU  61 -10.464   7.283   7.283
  412   2HB   GLU  61           HB1      GLU  61 -11.090   5.770   5.770
  413   1HG   GLU  61           HG2      GLU  61 -12.745   5.576   5.576
  414   2HG   GLU  61           HG1      GLU  61 -12.020   7.027   7.027
  415    H    GLY  62           HN       GLY  62  -9.704   3.592   3.592
  416   1HA   GLY  62           HA2      GLY  62  -9.942   1.401   1.401
  417   2HA   GLY  62           HA1      GLY  62 -10.289   1.470   1.470
  418    H    GLU  63           HN       GLU  63 -12.342   3.436   3.436
  419    HA   GLU  63           HA       GLU  63 -14.509   1.856   1.856
  420   1HB   GLU  63           HB2      GLU  63 -14.526   4.384   4.384
  421   2HB   GLU  63           HB1      GLU  63 -14.674   4.288   4.288
  422   1HG   GLU  63           HG2      GLU  63 -16.836   2.973   2.973
  423   2HG   GLU  63           HG1      GLU  63 -16.676   3.140   3.140
  424    H    LYS  64           HN       LYS  64 -13.305   2.647   2.647
  425    HA   LYS  64           HA       LYS  64 -14.505   0.360   0.360
  426   1HB   LYS  64           HB2      LYS  64 -16.527   2.050   2.050
  427   2HB   LYS  64           HB1      LYS  64 -15.664   3.129   3.129
  428   1HG   LYS  64           HG2      LYS  64 -17.443   1.995   1.995
  429   2HG   LYS  64           HG1      LYS  64 -15.904   1.349   1.349
  430   1HD   LYS  64           HD2      LYS  64 -17.402  -0.477  -0.477
  431   2HD   LYS  64           HD1      LYS  64 -16.216  -0.691  -0.691
  432   1HE   LYS  64           HE2      LYS  64 -17.906   0.181   0.181
  433   2HE   LYS  64           HE1      LYS  64 -19.053   0.531   0.531
  434   1HZ   LYS  64           HZ3      LYS  64 -19.063  -1.814  -1.814
  435   2HZ   LYS  64           HZ2      LYS  64 -18.053  -2.147  -2.147
  436   3HZ   LYS  64           HZ1      LYS  64 -19.603  -1.503  -1.503
  437    H    CYS  65           HN       CYS  65 -14.074   1.233   1.233
  438    HA   CYS  65           HA       CYS  65 -11.733   2.900   2.900
  439   1HB   CYS  65           HB2      CYS  65 -10.791   0.560   0.560
  440   2HB   CYS  65           HB1      CYS  65 -12.039   0.133   0.133
  441    H    HIS  66           HN       HIS  66 -11.853   3.962   3.962
  442    HA   HIS  66           HA       HIS  66 -14.298   3.258   3.258
  443   1HB   HIS  66           HB2      HIS  66 -14.664   5.830   5.830
  444   2HB   HIS  66           HB1      HIS  66 -15.268   5.096   5.096
  445    HD1  HIS  66           HD1      HIS  66 -12.189   7.065   7.065
  446    HD2  HIS  66           HD2      HIS  66 -14.435   6.223   6.223
  447    HE1  HIS  66           HE1      HIS  66 -11.287   8.529   8.529
  448    HE2  HIS  66           HE2      HIS  66 -12.653   7.976   7.976
  449    H    SER  67           HN       SER  67 -13.645   3.030   3.030
  450    HA   SER  67           HA       SER  67 -11.665   4.542   4.542
  451   1HB   SER  67           HB2      SER  67 -10.946   1.671   1.671
  452   2HB   SER  67           HB1      SER  67 -10.122   2.467   2.467
  453    HG   SER  67           HG       SER  67 -10.341   3.826   3.826
  454   1HN   NH2  68           H1       NH2  68 -11.637   3.139   3.139
  455   2HN   NH2  68           H2       NH2  68 -13.150   2.347   2.347

  Start of MODEL    3
    1   1H    VAL   1           HT2      VAL   1   5.325  12.313  12.313
    2   2H    VAL   1           HT1      VAL   1   6.738  11.602  11.602
    3   3H    VAL   1           HT3      VAL   1   6.758  12.336  12.336
    4    HA   VAL   1           HA       VAL   1   5.326  10.745  10.745
    5    HB   VAL   1           HB       VAL   1   6.676   8.639   8.639
    6   1HG1  VAL   1          HG12      VAL   1   7.398  10.460  10.460
    7   2HG1  VAL   1          HG11      VAL   1   8.363  11.218  11.218
    8   3HG1  VAL   1          HG13      VAL   1   8.804   9.586   9.586
    9   1HG2  VAL   1          HG23      VAL   1   7.102   8.661   8.661
   10   2HG2  VAL   1          HG22      VAL   1   8.623   8.546   8.546
   11   3HG2  VAL   1          HG21      VAL   1   8.165  10.112  10.112
   12    H    ARG   2           HN       ARG   2   4.797   8.061   8.061
   13    HA   ARG   2           HA       ARG   2   3.626   8.010   8.010
   14   1HB   ARG   2           HB2      ARG   2   1.722   6.576   6.576
   15   2HB   ARG   2           HB1      ARG   2   1.512   8.304   8.304
   16   1HG   ARG   2           HG2      ARG   2   2.941   6.636   6.636
   17   2HG   ARG   2           HG1      ARG   2   1.228   6.240   6.240
   18   1HD   ARG   2           HD2      ARG   2   2.146   9.135   9.135
   19   2HD   ARG   2           HD1      ARG   2   1.749   7.934   7.934
   20    HE   ARG   2           HE       ARG   2  -0.530   7.872   7.872
   21   1HH1  ARG   2          HH11      ARG   2   1.268  10.319  10.319
   22   2HH1  ARG   2          HH12      ARG   2  -0.148  11.250  11.250
   23   1HH2  ARG   2          HH21      ARG   2  -2.388   9.118   9.118
   24   2HH2  ARG   2          HH22      ARG   2  -2.248  10.544  10.544
   25    H    ASP   3           HN       ASP   3   3.412   5.338   5.338
   26    HA   ASP   3           HA       ASP   3   5.121   3.982   3.982
   27   1HB   ASP   3           HB2      ASP   3   5.142   3.577   3.577
   28   2HB   ASP   3           HB1      ASP   3   5.966   2.519   2.519
   29    H    GLY   4           HN       GLY   4   3.681   2.056   2.056
   30   1HA   GLY   4           HA2      GLY   4   1.509   1.699   1.699
   31   2HA   GLY   4           HA1      GLY   4   1.084   2.623   2.623
   32    H    TYR   5           HN       TYR   5  -0.232   0.388   0.388
   33    HA   TYR   5           HA       TYR   5   1.059  -1.540  -1.540
   34   1HB   TYR   5           HB2      TYR   5  -1.792  -1.089  -1.089
   35   2HB   TYR   5           HB1      TYR   5  -1.499  -2.196  -2.196
   36    HD1  TYR   5           HD1      TYR   5  -0.067  -4.186  -4.186
   37    HD2  TYR   5           HD2      TYR   5  -1.177  -1.745  -1.745
   38    HE1  TYR   5           HE1      TYR   5   0.488  -6.018  -6.018
   39    HE2  TYR   5           HE2      TYR   5  -0.638  -3.597  -3.597
   40    HH   TYR   5           HH       TYR   5   0.019  -5.791  -5.791
   41    H    ILE   6           HN       ILE   6   0.933  -1.157  -1.157
   42    HA   ILE   6           HA       ILE   6  -0.165   1.504   1.504
   43    HB   ILE   6           HB       ILE   6   2.144   1.231   1.231
   44   1HG1  ILE   6          HG12      ILE   6  -0.003   1.771   1.771
   45   2HG1  ILE   6          HG11      ILE   6   0.754   2.941   2.941
   46   1HG2  ILE   6          HG23      ILE   6   2.149  -1.122  -1.122
   47   2HG2  ILE   6          HG22      ILE   6   0.975  -0.857  -0.857
   48   3HG2  ILE   6          HG21      ILE   6   2.636  -0.185  -0.185
   49   1HD1  ILE   6          HD13      ILE   6   3.019   2.352   2.352
   50   2HD1  ILE   6          HD12      ILE   6   2.051   1.497   1.497
   51   3HD1  ILE   6          HD11      ILE   6   1.828   3.266   3.266
   52    H    ALA   7           HN       ALA   7  -1.791   1.754   1.754
   53    HA   ALA   7           HA       ALA   7  -3.454  -0.502  -0.502
   54   1HB   ALA   7           HB1      ALA   7  -3.977   2.555   2.555
   55   2HB   ALA   7           HB3      ALA   7  -5.227   1.303   1.303
   56   3HB   ALA   7           HB2      ALA   7  -4.491   1.397   1.397
   57    H    GLN   8           HN       GLN   8  -4.720   1.597   1.597
   58    HA   GLN   8           HA       GLN   8  -2.839   1.571   1.571
   59   1HB   GLN   8           HB2      GLN   8  -5.943   1.429   1.429
   60   2HB   GLN   8           HB1      GLN   8  -4.954   1.770   1.770
   61   1HG   GLN   8           HG2      GLN   8  -3.982  -0.474  -0.474
   62   2HG   GLN   8           HG1      GLN   8  -4.634  -0.814  -0.814
   63   1HE2  GLN   8          HE21      GLN   8  -7.608  -2.189  -2.189
   64   2HE2  GLN   8          HE22      GLN   8  -6.434  -2.118  -2.118
   65    HA   PRO   9           HA       PRO   9  -2.524   5.111   5.111
   66   1HB   PRO   9           HB2      PRO   9  -2.096   7.155   7.155
   67   2HB   PRO   9           HB1      PRO   9  -1.012   5.738   5.738
   68   1HG   PRO   9           HG1      PRO   9  -3.232   5.985   5.985
   69   2HG   PRO   9           HG2      PRO   9  -1.520   5.439   5.439
   70   1HD   PRO   9           HD1      PRO   9  -3.547   3.613   3.613
   71   2HD   PRO   9           HD2      PRO   9  -1.945   3.350   3.350
   72    H    GLU  10           HN       GLU  10  -5.546   4.955   4.955
   73    HA   GLU  10           HA       GLU  10  -6.494   7.654   7.654
   74   1HB   GLU  10           HB2      GLU  10  -7.925   5.014   5.014
   75   2HB   GLU  10           HB1      GLU  10  -8.697   6.588   6.588
   76   1HG   GLU  10           HG2      GLU  10  -8.581   6.301   6.301
   77   2HG   GLU  10           HG1      GLU  10  -7.347   7.547   7.547
   78    H    ASN  11           HN       ASN  11  -7.542   4.286   4.286
   79    HA   ASN  11           HA       ASN  11  -6.880   4.152   4.152
   80   1HB   ASN  11           HB2      ASN  11  -8.746   5.909   5.909
   81   2HB   ASN  11           HB1      ASN  11  -9.797   4.957   4.957
   82   1HD2  ASN  11          HD21      ASN  11  -9.575   4.068   4.068
   83   2HD2  ASN  11          HD22      ASN  11  -8.732   5.411   5.411
   84    H    CYS  12           HN       CYS  12  -7.307   1.782   1.782
   85    HA   CYS  12           HA       CYS  12  -9.093   0.243   0.243
   86   1HB   CYS  12           HB2      CYS  12  -7.830   1.018   1.018
   87   2HB   CYS  12           HB1      CYS  12  -7.317  -0.597  -0.597
   88    H    VAL  13           HN       VAL  13  -7.128  -1.922  -1.922
   89    HA   VAL  13           HA       VAL  13  -4.960  -1.646  -1.646
   90    HB   VAL  13           HB       VAL  13  -4.929  -4.265  -4.265
   91   1HG1  VAL  13          HG11      VAL  13  -6.837  -2.649  -2.649
   92   2HG1  VAL  13          HG13      VAL  13  -6.259  -4.332  -4.332
   93   3HG1  VAL  13          HG12      VAL  13  -5.095  -2.971  -2.971
   94   1HG2  VAL  13          HG23      VAL  13  -6.842  -4.569  -4.569
   95   2HG2  VAL  13          HG22      VAL  13  -7.122  -5.361  -5.361
   96   3HG2  VAL  13          HG21      VAL  13  -7.966  -3.814  -3.814
   97    H    TYR  14           HN       TYR  14  -3.150  -2.965  -2.965
   98    HA   TYR  14           HA       TYR  14  -3.626  -3.056  -3.056
   99   1HB   TYR  14           HB2      TYR  14  -1.234  -2.432  -2.432
  100   2HB   TYR  14           HB1      TYR  14  -0.899  -3.969  -3.969
  101    HD1  TYR  14           HD1      TYR  14  -2.463  -3.836  -3.836
  102    HD2  TYR  14           HD2      TYR  14   0.024  -0.921  -0.921
  103    HE1  TYR  14           HE1      TYR  14  -2.097  -2.714  -2.714
  104    HE2  TYR  14           HE2      TYR  14   0.408   0.193   0.193
  105    HH   TYR  14           HH       TYR  14  -1.210  -0.896  -0.896
  106    H    HIS  15           HN       HIS  15  -1.626  -5.469  -5.469
  107    HA   HIS  15           HA       HIS  15  -2.962  -7.338  -7.338
  108   1HB   HIS  15           HB2      HIS  15  -2.874  -7.734  -7.734
  109   2HB   HIS  15           HB1      HIS  15  -2.899  -9.106  -9.106
  110    HD1  HIS  15           HD1      HIS  15  -5.162  -6.231  -6.231
  111    HD2  HIS  15           HD2      HIS  15  -5.299  -9.783  -9.783
  112    HE1  HIS  15           HE1      HIS  15  -7.589  -6.670  -6.670
  113    HE2  HIS  15           HE2      HIS  15  -7.624  -8.807  -8.807
  114    H    CYS  16           HN       CYS  16  -1.219  -9.422  -9.422
  115    HA   CYS  16           HA       CYS  16   1.376  -8.274  -8.274
  116   1HB   CYS  16           HB2      CYS  16   1.083  -8.241  -8.241
  117   2HB   CYS  16           HB1      CYS  16   0.306  -9.838  -9.838
  118    H    PHE  17           HN       PHE  17   2.664 -10.388 -10.388
  119    HA   PHE  17           HA       PHE  17   0.846 -12.549 -12.549
  120   1HB   PHE  17           HB2      PHE  17   3.704 -12.136 -12.136
  121   2HB   PHE  17           HB1      PHE  17   2.365 -13.127 -13.127
  122    HD1  PHE  17           HD1      PHE  17   0.117 -11.159 -11.159
  123    HD2  PHE  17           HD2      PHE  17   4.327 -10.637 -10.637
  124    HE1  PHE  17           HE1      PHE  17  -0.373  -9.257  -9.257
  125    HE2  PHE  17           HE2      PHE  17   3.823  -8.741  -8.741
  126    HZ   PHE  17           HZ       PHE  17   1.481  -8.038  -8.038
  127    HA   PRO  18           HA       PRO  18   2.681 -12.864 -12.864
  128   1HB   PRO  18           HB2      PRO  18   2.365 -15.899 -15.899
  129   2HB   PRO  18           HB1      PRO  18   2.133 -14.987 -14.987
  130   1HG   PRO  18           HG1      PRO  18   0.006 -15.585 -15.585
  131   2HG   PRO  18           HG2      PRO  18   0.089 -13.983 -13.983
  132   1HD   PRO  18           HD1      PRO  18   0.456 -14.548 -14.548
  133   2HD   PRO  18           HD2      PRO  18   0.166 -12.978 -12.978
  134    H    GLY  19           HN       GLY  19   4.868 -12.113 -12.113
  135   1HA   GLY  19           HA2      GLY  19   6.957 -13.641 -13.641
  136   2HA   GLY  19           HA1      GLY  19   6.829 -13.551 -13.551
  137    H    SER  20           HN       SER  20   8.853 -11.853 -11.853
  138    HA   SER  20           HA       SER  20   7.793  -9.339  -9.339
  139   1HB   SER  20           HB2      SER  20  10.539  -9.934  -9.934
  140   2HB   SER  20           HB1      SER  20  10.083  -8.531  -8.531
  141    HG   SER  20           HG       SER  20  11.211 -10.154 -10.154
  142    H    SER  21           HN       SER  21   8.760 -10.947 -10.947
  143    HA   SER  21           HA       SER  21   9.789  -9.150  -9.150
  144   1HB   SER  21           HB2      SER  21   7.774 -11.058 -11.058
  145   2HB   SER  21           HB1      SER  21   9.442 -10.630 -10.630
  146    HG   SER  21           HG       SER  21   9.422 -12.652 -12.652
  147    H    GLY  22           HN       GLY  22   6.204  -9.549  -9.549
  148   1HA   GLY  22           HA2      GLY  22   5.990  -7.614  -7.614
  149   2HA   GLY  22           HA1      GLY  22   4.666  -8.307  -8.307
  150    H    CYS  23           HN       CYS  23   5.329  -7.490  -7.490
  151    HA   CYS  23           HA       CYS  23   4.414  -4.806  -4.806
  152   1HB   CYS  23           HB2      CYS  23   5.297  -6.547  -6.547
  153   2HB   CYS  23           HB1      CYS  23   4.708  -4.869  -4.869
  154    H    ASP  24           HN       ASP  24   7.562  -6.366  -6.366
  155    HA   ASP  24           HA       ASP  24   8.881  -4.058  -4.058
  156   1HB   ASP  24           HB2      ASP  24   9.768  -6.484  -6.484
  157   2HB   ASP  24           HB1      ASP  24  10.098  -6.306  -6.306
  158    H    THR  25           HN       THR  25   8.335  -5.384  -5.384
  159    HA   THR  25           HA       THR  25   9.666  -3.321  -3.321
  160    HB   THR  25           HB       THR  25   7.278  -4.934  -4.934
  161    HG1  THR  25           HG1      THR  25   8.816  -6.402  -6.402
  162   1HG2  THR  25          HG23      THR  25   9.668  -3.622  -3.622
  163   2HG2  THR  25          HG22      THR  25   8.379  -4.619  -4.619
  164   3HG2  THR  25          HG21      THR  25   7.964  -3.038  -3.038
  165    H    LEU  26           HN       LEU  26   6.123  -3.760  -3.760
  166    HA   LEU  26           HA       LEU  26   5.253  -1.492  -1.492
  167   1HB   LEU  26           HB2      LEU  26   4.124  -2.814  -2.814
  168   2HB   LEU  26           HB1      LEU  26   3.310  -1.468  -1.468
  169    HG   LEU  26           HG       LEU  26   3.969  -4.127  -4.127
  170   1HD1  LEU  26          HD13      LEU  26   2.425  -4.525  -4.525
  171   2HD1  LEU  26          HD12      LEU  26   1.330  -3.220  -3.220
  172   3HD1  LEU  26          HD11      LEU  26   1.573  -4.710  -4.710
  173   1HD2  LEU  26          HD21      LEU  26   2.130  -1.779  -1.779
  174   2HD2  LEU  26          HD23      LEU  26   3.681  -2.254  -2.254
  175   3HD2  LEU  26          HD22      LEU  26   2.265  -3.360  -3.360
  176    H    CYS  27           HN       CYS  27   6.358  -1.932  -1.932
  177    HA   CYS  27           HA       CYS  27   5.828   0.599   0.599
  178   1HB   CYS  27           HB2      CYS  27   6.693  -1.488  -1.488
  179   2HB   CYS  27           HB1      CYS  27   8.341  -0.968  -0.968
  180    H    LYS  28           HN       LYS  28   8.727  -0.571  -0.571
  181    HA   LYS  28           HA       LYS  28  10.073   1.925   1.925
  182   1HB   LYS  28           HB2      LYS  28  10.804  -0.393  -0.393
  183   2HB   LYS  28           HB1      LYS  28  11.804   1.078   1.078
  184   1HG   LYS  28           HG2      LYS  28  11.760   0.532   0.532
  185   2HG   LYS  28           HG1      LYS  28  11.004  -1.031  -1.031
  186   1HD   LYS  28           HD2      LYS  28  13.320  -1.442  -1.442
  187   2HD   LYS  28           HD1      LYS  28  13.045  -1.562  -1.562
  188   1HE   LYS  28           HE2      LYS  28  14.012   0.763   0.763
  189   2HE   LYS  28           HE1      LYS  28  14.206   0.901   0.901
  190   1HZ   LYS  28           HZ3      LYS  28  15.703  -0.980  -0.980
  191   2HZ   LYS  28           HZ2      LYS  28  15.538  -1.082  -1.082
  192   3HZ   LYS  28           HZ1      LYS  28  16.239   0.298   0.298
  193    H    GLU  29           HN       GLU  29   8.051   0.595   0.595
  194    HA   GLU  29           HA       GLU  29   8.784   2.782   2.782
  195   1HB   GLU  29           HB2      GLU  29   7.039   2.110   2.110
  196   2HB   GLU  29           HB1      GLU  29   8.056   0.711   0.711
  197   1HG   GLU  29           HG2      GLU  29   6.277   0.015   0.015
  198   2HG   GLU  29           HG1      GLU  29   5.223   1.363   1.363
  199    H    LYS  30           HN       LYS  30   6.199   2.226   2.226
  200    HA   LYS  30           HA       LYS  30   4.880   4.647   4.647
  201   1HB   LYS  30           HB2      LYS  30   4.579   3.131   3.131
  202   2HB   LYS  30           HB1      LYS  30   3.564   4.503   4.503
  203   1HG   LYS  30           HG2      LYS  30   3.661   1.658   1.658
  204   2HG   LYS  30           HG1      LYS  30   2.305   2.504   2.504
  205   1HD   LYS  30           HD2      LYS  30   2.196   4.081   4.081
  206   2HD   LYS  30           HD1      LYS  30   3.523   3.122   3.122
  207   1HE   LYS  30           HE2      LYS  30   2.066   1.045   1.045
  208   2HE   LYS  30           HE1      LYS  30   0.709   2.069   2.069
  209   1HZ   LYS  30           HZ2      LYS  30   0.926   3.399   3.399
  210   2HZ   LYS  30           HZ1      LYS  30   2.098   2.309   2.309
  211   3HZ   LYS  30           HZ3      LYS  30   0.513   1.773   1.773
  212    H    GLY  31           HN       GLY  31   7.114   3.782   3.782
  213   1HA   GLY  31           HA2      GLY  31   8.839   5.475   5.475
  214   2HA   GLY  31           HA1      GLY  31   7.539   6.718   6.718
  215    H    GLY  32           HN       GLY  32   7.882   3.419   3.419
  216   1HA   GLY  32           HA2      GLY  32   8.403   4.807   4.807
  217   2HA   GLY  32           HA1      GLY  32   7.497   3.243   3.243
  218    H    THR  33           HN       THR  33   9.938   3.461   3.461
  219    HA   THR  33           HA       THR  33  12.189   3.405   3.405
  220    HB   THR  33           HB       THR  33  12.073   2.042   2.042
  221    HG1  THR  33           HG1      THR  33  10.791   3.676   3.676
  222   1HG2  THR  33          HG23      THR  33  14.288   2.356   2.356
  223   2HG2  THR  33          HG22      THR  33  13.976   4.131   4.131
  224   3HG2  THR  33          HG21      THR  33  14.194   3.325   3.325
  225    H    SER  34           HN       SER  34  10.459   0.605   0.605
  226    HA   SER  34           HA       SER  34  10.829  -1.033  -1.033
  227   1HB   SER  34           HB2      SER  34  12.570  -1.655  -1.655
  228   2HB   SER  34           HB1      SER  34  12.060  -2.909  -2.909
  229    HG   SER  34           HG       SER  34  13.194  -0.536  -0.536
  230    H    GLY  35           HN       GLY  35   9.783  -3.338  -3.338
  231   1HA   GLY  35           HA2      GLY  35   7.785  -2.370  -2.370
  232   2HA   GLY  35           HA1      GLY  35   7.315  -2.528  -2.528
  233    H    HIS  36           HN       HIS  36   6.055  -4.372  -4.372
  234    HA   HIS  36           HA       HIS  36   7.378  -6.856  -6.856
  235   1HB   HIS  36           HB2      HIS  36   6.599  -5.970  -5.970
  236   2HB   HIS  36           HB1      HIS  36   7.276  -7.564  -7.564
  237    HD1  HIS  36           HD1      HIS  36   8.252  -4.141  -4.141
  238    HD2  HIS  36           HD2      HIS  36  10.103  -7.375  -7.375
  239    HE1  HIS  36           HE1      HIS  36  10.745  -3.693  -3.693
  240    HE2  HIS  36           HE2      HIS  36  11.818  -5.648  -5.648
  241    H    CYS  37           HN       CYS  37   5.136  -7.817  -7.817
  242    HA   CYS  37           HA       CYS  37   2.802  -6.858  -6.858
  243   1HB   CYS  37           HB2      CYS  37   3.543  -9.867  -9.867
  244   2HB   CYS  37           HB1      CYS  37   1.997  -9.131  -9.131
  245    H    GLY  38           HN       GLY  38   0.921  -8.370  -8.370
  246   1HA   GLY  38           HA2      GLY  38   1.193  -9.740  -9.740
  247   2HA   GLY  38           HA1      GLY  38   1.053  -7.975  -7.975
  248    H    PHE  39           HN       PHE  39  -1.443  -8.240  -8.240
  249    HA   PHE  39           HA       PHE  39  -2.936  -8.368  -8.368
  250   1HB   PHE  39           HB2      PHE  39  -2.790 -10.753 -10.753
  251   2HB   PHE  39           HB1      PHE  39  -3.747  -9.952  -9.952
  252    HD1  PHE  39           HD2      PHE  39  -6.113  -9.219  -9.219
  253    HD2  PHE  39           HD1      PHE  39  -3.737 -11.481 -11.481
  254    HE1  PHE  39           HE2      PHE  39  -8.171 -10.007 -10.007
  255    HE2  PHE  39           HE1      PHE  39  -5.790 -12.228 -12.228
  256    HZ   PHE  39           HZ       PHE  39  -8.015 -11.514 -11.514
  257    H    LYS  40           HN       LYS  40  -4.823  -6.876  -6.876
  258    HA   LYS  40           HA       LYS  40  -4.581  -5.667  -5.667
  259   1HB   LYS  40           HB2      LYS  40  -3.927  -4.131  -4.131
  260   2HB   LYS  40           HB1      LYS  40  -5.648  -4.197  -4.197
  261   1HG   LYS  40           HG2      LYS  40  -4.529  -3.220  -3.220
  262   2HG   LYS  40           HG1      LYS  40  -4.993  -2.181  -2.181
  263   1HD   LYS  40           HD2      LYS  40  -7.372  -3.182  -3.182
  264   2HD   LYS  40           HD1      LYS  40  -6.853  -3.850  -3.850
  265   1HE   LYS  40           HE2      LYS  40  -6.284  -1.515  -1.515
  266   2HE   LYS  40           HE1      LYS  40  -6.842  -0.855  -0.855
  267   1HZ   LYS  40           HZ2      LYS  40  -8.591  -2.506  -2.506
  268   2HZ   LYS  40           HZ1      LYS  40  -8.440  -0.821  -0.821
  269   3HZ   LYS  40           HZ3      LYS  40  -9.015  -1.470  -1.470
  270    H    VAL  41           HN       VAL  41  -6.086  -7.009  -7.009
  271    HA   VAL  41           HA       VAL  41  -8.311  -7.998  -7.998
  272    HB   VAL  41           HB       VAL  41  -8.144  -7.850  -7.850
  273   1HG1  VAL  41          HG13      VAL  41 -10.280  -8.663  -8.663
  274   2HG1  VAL  41          HG12      VAL  41  -9.334  -9.910  -9.910
  275   3HG1  VAL  41          HG11      VAL  41  -9.446  -9.980  -9.980
  276   1HG2  VAL  41          HG21      VAL  41  -6.718  -9.893  -9.893
  277   2HG2  VAL  41          HG23      VAL  41  -5.909  -8.702  -8.702
  278   3HG2  VAL  41          HG22      VAL  41  -6.905 -10.023 -10.023
  279    H    GLY  42           HN       GLY  42 -10.187  -6.903  -6.903
  280   1HA   GLY  42           HA2      GLY  42 -11.804  -5.293  -5.293
  281   2HA   GLY  42           HA1      GLY  42 -10.341  -4.207  -4.207
  282    H    HIS  43           HN       HIS  43  -9.072  -5.376  -5.376
  283    HA   HIS  43           HA       HIS  43 -11.070  -4.754  -4.754
  284   1HB   HIS  43           HB2      HIS  43  -8.151  -3.876  -3.876
  285   2HB   HIS  43           HB1      HIS  43  -8.976  -3.978  -3.978
  286    HD1  HIS  43           HD1      HIS  43  -8.561  -1.480  -1.480
  287    HD2  HIS  43           HD2      HIS  43 -11.082  -2.317  -2.317
  288    HE1  HIS  43           HE1      HIS  43  -9.633   0.693   0.693
  289    HE2  HIS  43           HE2      HIS  43 -11.149   0.154   0.154
  290    H    GLY  44           HN       GLY  44  -7.670  -6.242  -6.242
  291   1HA   GLY  44           HA2      GLY  44  -8.313  -8.678  -8.678
  292   2HA   GLY  44           HA1      GLY  44  -8.166  -7.645  -7.645
  293    H    LEU  45           HN       LEU  45  -6.331  -8.995  -8.995
  294    HA   LEU  45           HA       LEU  45  -3.919  -8.999  -8.999
  295   1HB   LEU  45           HB2      LEU  45  -4.695 -10.742 -10.742
  296   2HB   LEU  45           HB1      LEU  45  -4.643  -9.473  -9.473
  297    HG   LEU  45           HG       LEU  45  -2.160  -9.335  -9.335
  298   1HD1  LEU  45          HD12      LEU  45  -1.825 -10.139 -10.139
  299   2HD1  LEU  45          HD11      LEU  45  -2.419 -11.774 -11.774
  300   3HD1  LEU  45          HD13      LEU  45  -0.892 -11.131 -11.131
  301   1HD2  LEU  45          HD23      LEU  45  -3.336 -12.137 -12.137
  302   2HD2  LEU  45          HD22      LEU  45  -3.171 -10.777 -10.777
  303   3HD2  LEU  45          HD21      LEU  45  -1.706 -11.581 -11.581
  304    H    ALA  46           HN       ALA  46  -1.916  -7.531  -7.531
  305    HA   ALA  46           HA       ALA  46  -2.609  -5.283  -5.283
  306   1HB   ALA  46           HB2      ALA  46  -3.724  -4.753  -4.753
  307   2HB   ALA  46           HB1      ALA  46  -2.135  -4.987  -4.987
  308   3HB   ALA  46           HB3      ALA  46  -2.368  -3.632  -3.632
  309    H    CYS  47           HN       CYS  47  -0.469  -3.653  -3.653
  310    HA   CYS  47           HA       CYS  47   1.812  -5.551  -5.551
  311   1HB   CYS  47           HB2      CYS  47   1.342  -2.873  -2.873
  312   2HB   CYS  47           HB1      CYS  47   3.007  -3.487  -3.487
  313    H    TRP  48           HN       TRP  48   3.666  -4.453  -4.453
  314    HA   TRP  48           HA       TRP  48   2.734  -2.298  -2.298
  315   1HB   TRP  48           HB2      TRP  48   3.705  -4.223  -4.223
  316   2HB   TRP  48           HB1      TRP  48   5.186  -4.119  -4.119
  317    HD1  TRP  48           HD1      TRP  48   6.990  -2.173  -2.173
  318    HE1  TRP  48           HE1      TRP  48   7.140  -0.546  -0.546
  319    HE3  TRP  48           HE3      TRP  48   2.335  -2.935  -2.935
  320    HZ2  TRP  48           HZ2      TRP  48   5.467   0.304   0.304
  321    HZ3  TRP  48           HZ3      TRP  48   1.660  -1.680  -1.680
  322    HH2  TRP  48           HH2      TRP  48   3.205  -0.076  -0.076
  323    H    CYS  49           HN       CYS  49   4.118  -0.299  -0.299
  324    HA   CYS  49           HA       CYS  49   6.442  -0.408  -0.408
  325   1HB   CYS  49           HB2      CYS  49   4.158   1.624   1.624
  326   2HB   CYS  49           HB1      CYS  49   5.849   2.154   2.154
  327    H    ASN  50           HN       ASN  50   8.070   0.841   0.841
  328    HA   ASN  50           HA       ASN  50   7.273   2.164   2.164
  329   1HB   ASN  50           HB2      ASN  50   9.396   0.278   0.278
  330   2HB   ASN  50           HB1      ASN  50  10.225   1.864   1.864
  331   1HD2  ASN  50          HD21      ASN  50   9.976   1.941   1.941
  332   2HD2  ASN  50          HD22      ASN  50  10.745   2.536   2.536
  333    H    ALA  51           HN       ALA  51   6.844   4.249   4.249
  334    HA   ALA  51           HA       ALA  51   7.252   6.262   6.262
  335   1HB   ALA  51           HB2      ALA  51   9.705   6.164   6.164
  336   2HB   ALA  51           HB1      ALA  51   9.375   5.589   5.589
  337   3HB   ALA  51           HB3      ALA  51   8.815   7.219   7.219
  338    H    LEU  52           HN       LEU  52   5.730   7.260   7.260
  339    HA   LEU  52           HA       LEU  52   5.997   6.771   6.771
  340   1HB   LEU  52           HB2      LEU  52   3.230   6.671   6.671
  341   2HB   LEU  52           HB1      LEU  52   3.418   7.438   7.438
  342    HG   LEU  52           HG       LEU  52   2.575   5.465   5.465
  343   1HD1  LEU  52          HD11      LEU  52   4.774   5.808   5.808
  344   2HD1  LEU  52          HD13      LEU  52   5.537   4.657   4.657
  345   3HD1  LEU  52          HD12      LEU  52   4.240   4.092   4.092
  346   1HD2  LEU  52          HD21      LEU  52   2.393   4.440   4.440
  347   2HD2  LEU  52          HD23      LEU  52   2.992   3.266   3.266
  348   3HD2  LEU  52          HD22      LEU  52   4.146   3.966   3.966
  349    HA   PRO  53           HA       PRO  53   5.530  11.084  11.084
  350   1HB   PRO  53           HB2      PRO  53   4.823  12.351  12.351
  351   2HB   PRO  53           HB1      PRO  53   6.504  11.816  11.816
  352   1HG   PRO  53           HG1      PRO  53   4.413  10.413  10.413
  353   2HG   PRO  53           HG2      PRO  53   6.181  10.604  10.604
  354   1HD   PRO  53           HD1      PRO  53   5.014   8.293   8.293
  355   2HD   PRO  53           HD2      PRO  53   6.718   8.788   8.788
  356    H    ASP  54           HN       ASP  54   3.734  12.743  12.743
  357    HA   ASP  54           HA       ASP  54   1.619  11.306  11.306
  358   1HB   ASP  54           HB2      ASP  54   1.998  14.305  14.305
  359   2HB   ASP  54           HB1      ASP  54   0.758  13.603  13.603
  360    H    ASN  55           HN       ASN  55   1.904  12.348  12.348
  361    HA   ASN  55           HA       ASN  55  -0.912  12.960  12.960
  362   1HB   ASN  55           HB2      ASN  55  -0.471  13.236  13.236
  363   2HB   ASN  55           HB1      ASN  55   0.590  14.284  14.284
  364   1HD2  ASN  55          HD22      ASN  55   2.542  12.502  12.502
  365   2HD2  ASN  55          HD21      ASN  55   1.056  13.394  13.394
  366    H    VAL  56           HN       VAL  56   1.014  10.148  10.148
  367    HA   VAL  56           HA       VAL  56  -0.602   8.627   8.627
  368    HB   VAL  56           HB       VAL  56   1.460   7.505   7.505
  369   1HG1  VAL  56          HG12      VAL  56   0.376   6.558   6.558
  370   2HG1  VAL  56          HG11      VAL  56   1.706   5.778   5.778
  371   3HG1  VAL  56          HG13      VAL  56   0.057   5.819   5.819
  372   1HG2  VAL  56          HG22      VAL  56   1.933   8.935   8.935
  373   2HG2  VAL  56          HG21      VAL  56   2.612   9.352   9.352
  374   3HG2  VAL  56          HG23      VAL  56   3.131   7.844   7.844
  375    H    GLY  57           HN       GLY  57  -2.618   7.784   7.784
  376   1HA   GLY  57           HA2      GLY  57  -3.116   7.949   7.949
  377   2HA   GLY  57           HA1      GLY  57  -4.262   7.586   7.586
  378    H    ILE  58           HN       ILE  58  -3.787   6.097   6.097
  379    HA   ILE  58           HA       ILE  58  -2.755   3.589   3.589
  380    HB   ILE  58           HB       ILE  58  -1.889   2.995   2.995
  381   1HG1  ILE  58          HG12      ILE  58  -2.378   5.925   5.925
  382   2HG1  ILE  58          HG11      ILE  58  -3.381   4.548   4.548
  383   1HG2  ILE  58          HG23      ILE  58  -0.535   4.072   4.072
  384   2HG2  ILE  58          HG22      ILE  58  -0.745   5.666   5.666
  385   3HG2  ILE  58          HG21      ILE  58   0.148   4.340   4.340
  386   1HD1  ILE  58          HD13      ILE  58  -1.280   3.412   3.412
  387   2HD1  ILE  58          HD12      ILE  58  -0.357   4.904   4.904
  388   3HD1  ILE  58          HD11      ILE  58  -1.681   4.974   4.974
  389    H    ILE  59           HN       ILE  59  -3.647   2.234   2.234
  390    HA   ILE  59           HA       ILE  59  -5.945   1.377   1.377
  391    HB   ILE  59           HB       ILE  59  -5.340   0.729   0.729
  392   1HG1  ILE  59          HG12      ILE  59  -3.196   0.444   0.444
  393   2HG1  ILE  59          HG11      ILE  59  -3.965  -1.150  -1.150
  394   1HG2  ILE  59          HG22      ILE  59  -6.710  -0.732  -0.732
  395   2HG2  ILE  59          HG21      ILE  59  -6.289  -1.532  -1.532
  396   3HG2  ILE  59          HG23      ILE  59  -7.477  -0.185  -0.185
  397   1HD1  ILE  59          HD11      ILE  59  -4.762  -0.838  -0.838
  398   2HD1  ILE  59          HD13      ILE  59  -3.375   0.305   0.305
  399   3HD1  ILE  59          HD12      ILE  59  -3.096  -1.411  -1.411
  400    H    VAL  60           HN       VAL  60  -5.598   3.874   3.874
  401    HA   VAL  60           HA       VAL  60  -8.463   4.168   4.168
  402    HB   VAL  60           HB       VAL  60  -7.743   5.172   5.172
  403   1HG1  VAL  60          HG13      VAL  60  -9.335   2.705   2.705
  404   2HG1  VAL  60          HG12      VAL  60  -9.539   3.470   3.470
  405   3HG1  VAL  60          HG11      VAL  60  -9.962   4.385   4.385
  406   1HG2  VAL  60          HG21      VAL  60  -6.926   2.179   2.179
  407   2HG2  VAL  60          HG23      VAL  60  -5.786   3.540   3.540
  408   3HG2  VAL  60          HG22      VAL  60  -7.077   3.090   3.090
  409    H    GLU  61           HN       GLU  61  -8.879   6.550   6.550
  410    HA   GLU  61           HA       GLU  61  -6.821   8.337   8.337
  411   1HB   GLU  61           HB2      GLU  61  -6.741   7.112   7.112
  412   2HB   GLU  61           HB1      GLU  61  -8.426   7.608   7.608
  413   1HG   GLU  61           HG2      GLU  61  -6.741   9.049   9.049
  414   2HG   GLU  61           HG1      GLU  61  -7.805   9.978   9.978
  415    H    GLY  62           HN       GLY  62  -8.509  10.379  10.379
  416   1HA   GLY  62           HA2      GLY  62 -11.069   9.837   9.837
  417   2HA   GLY  62           HA1      GLY  62 -10.367  11.426  11.426
  418    H    GLU  63           HN       GLU  63 -11.609   8.214   8.214
  419    HA   GLU  63           HA       GLU  63 -12.704   9.337   9.337
  420   1HB   GLU  63           HB2      GLU  63  -9.860   9.016   9.016
  421   2HB   GLU  63           HB1      GLU  63 -10.451   7.454   7.454
  422   1HG   GLU  63           HG2      GLU  63 -12.038   8.812   8.812
  423   2HG   GLU  63           HG1      GLU  63 -11.070  10.261  10.261
  424    H    LYS  64           HN       LYS  64 -12.563   6.849   6.849
  425    HA   LYS  64           HA       LYS  64 -12.597   4.638   4.638
  426   1HB   LYS  64           HB2      LYS  64 -14.980   5.412   5.412
  427   2HB   LYS  64           HB1      LYS  64 -15.278   5.532   5.532
  428   1HG   LYS  64           HG2      LYS  64 -15.118   3.085   3.085
  429   2HG   LYS  64           HG1      LYS  64 -14.452   2.928   2.928
  430   1HD   LYS  64           HD2      LYS  64 -16.787   2.183   2.183
  431   2HD   LYS  64           HD1      LYS  64 -16.587   3.624   3.624
  432   1HE   LYS  64           HE2      LYS  64 -18.682   3.816   3.816
  433   2HE   LYS  64           HE1      LYS  64 -17.534   5.084   5.084
  434   1HZ   LYS  64           HZ3      LYS  64 -16.972   3.582   3.582
  435   2HZ   LYS  64           HZ2      LYS  64 -18.152   2.483   2.483
  436   3HZ   LYS  64           HZ1      LYS  64 -18.607   4.037   4.037
  437    H    CYS  65           HN       CYS  65 -12.815   2.887   2.887
  438    HA   CYS  65           HA       CYS  65 -10.946   3.784   3.784
  439   1HB   CYS  65           HB2      CYS  65 -10.830   1.535   1.535
  440   2HB   CYS  65           HB1      CYS  65 -12.447   1.127   1.127
  441    H    HIS  66           HN       HIS  66 -10.884   4.202   4.202
  442    HA   HIS  66           HA       HIS  66 -13.085   3.519   3.519
  443   1HB   HIS  66           HB2      HIS  66 -13.061   5.675   5.675
  444   2HB   HIS  66           HB1      HIS  66 -13.681   5.962   5.962
  445    HD1  HIS  66           HD1      HIS  66 -11.398   6.702   6.702
  446    HD2  HIS  66           HD2      HIS  66 -11.412   7.718   7.718
  447    HE1  HIS  66           HE1      HIS  66  -9.683   8.540   8.540
  448    HE2  HIS  66           HE2      HIS  66  -9.829   9.216   9.216
  449    H    SER  67           HN       SER  67 -11.857   3.122   3.122
  450    HA   SER  67           HA       SER  67  -9.326   3.738   3.738
  451   1HB   SER  67           HB2      SER  67  -8.542   2.241   2.241
  452   2HB   SER  67           HB1      SER  67  -9.584   0.915   0.915
  453    HG   SER  67           HG       SER  67  -7.368   0.746   0.746
  454   1HN   NH2  68           H1       NH2  68 -10.493   1.199   1.199
  455   2HN   NH2  68           H2       NH2  68  -9.039   1.378   1.378

  Start of MODEL    4
    1   1H    VAL   1           HT2      VAL   1   8.344  10.733  10.733
    2   2H    VAL   1           HT1      VAL   1   8.490  11.734  11.734
    3   3H    VAL   1           HT3      VAL   1   7.027  11.678  11.678
    4    HA   VAL   1           HA       VAL   1   6.810  10.466  10.466
    5    HB   VAL   1           HB       VAL   1   8.106   8.285   8.285
    6   1HG1  VAL   1          HG11      VAL   1   9.610  10.967  10.967
    7   2HG1  VAL   1          HG13      VAL   1  10.075   9.423   9.423
    8   3HG1  VAL   1          HG12      VAL   1   8.524  10.218  10.218
    9   1HG2  VAL   1          HG21      VAL   1   8.982   8.126   8.126
   10   2HG2  VAL   1          HG23      VAL   1  10.295   8.071   8.071
   11   3HG2  VAL   1          HG22      VAL   1  10.010   9.578   9.578
   12    H    ARG   2           HN       ARG   2   5.735   8.346   8.346
   13    HA   ARG   2           HA       ARG   2   4.347   7.793   7.793
   14   1HB   ARG   2           HB2      ARG   2   3.630   7.009   7.009
   15   2HB   ARG   2           HB1      ARG   2   2.522   6.943   6.943
   16   1HG   ARG   2           HG2      ARG   2   2.219   9.338   9.338
   17   2HG   ARG   2           HG1      ARG   2   3.754   9.616   9.616
   18   1HD   ARG   2           HD2      ARG   2   2.323  10.060  10.060
   19   2HD   ARG   2           HD1      ARG   2   2.731   8.346   8.346
   20    HE   ARG   2           HE       ARG   2   0.515   7.710   7.710
   21   1HH1  ARG   2          HH11      ARG   2   0.967  11.128  11.128
   22   2HH1  ARG   2          HH12      ARG   2  -0.726  11.408  11.408
   23   1HH2  ARG   2          HH21      ARG   2  -1.735   8.118   8.118
   24   2HH2  ARG   2          HH22      ARG   2  -2.271   9.687   9.687
   25    H    ASP   3           HN       ASP   3   3.811   5.414   5.414
   26    HA   ASP   3           HA       ASP   3   5.320   3.536   3.536
   27   1HB   ASP   3           HB2      ASP   3   4.926   3.269   3.269
   28   2HB   ASP   3           HB1      ASP   3   5.789   2.138   2.138
   29    H    GLY   4           HN       GLY   4   3.622   2.012   2.012
   30   1HA   GLY   4           HA2      GLY   4   1.295   1.885   1.885
   31   2HA   GLY   4           HA1      GLY   4   1.093   2.896   2.896
   32    H    TYR   5           HN       TYR   5  -0.453   0.707   0.707
   33    HA   TYR   5           HA       TYR   5   0.770  -1.374  -1.374
   34   1HB   TYR   5           HB2      TYR   5  -2.082  -0.513  -0.513
   35   2HB   TYR   5           HB1      TYR   5  -1.816  -1.839  -1.839
   36    HD1  TYR   5           HD1      TYR   5  -0.648  -3.903  -3.903
   37    HD2  TYR   5           HD2      TYR   5  -1.734  -0.791  -0.791
   38    HE1  TYR   5           HE1      TYR   5  -0.538  -5.501  -5.501
   39    HE2  TYR   5           HE2      TYR   5  -1.611  -2.398  -2.398
   40    HH   TYR   5           HH       TYR   5  -1.666  -5.761  -5.761
   41    H    ILE   6           HN       ILE   6   0.884  -1.080  -1.080
   42    HA   ILE   6           HA       ILE   6  -0.147   1.528   1.528
   43    HB   ILE   6           HB       ILE   6   2.255   1.177   1.177
   44   1HG1  ILE   6          HG12      ILE   6   0.554   1.733   1.733
   45   2HG1  ILE   6          HG11      ILE   6   0.942   2.901   2.901
   46   1HG2  ILE   6          HG22      ILE   6   2.240  -1.190  -1.190
   47   2HG2  ILE   6          HG21      ILE   6   1.274  -0.825  -0.825
   48   3HG2  ILE   6          HG23      ILE   6   2.951  -0.226  -0.226
   49   1HD1  ILE   6          HD13      ILE   6   3.444   2.527   2.527
   50   2HD1  ILE   6          HD12      ILE   6   2.850   1.638   1.638
   51   3HD1  ILE   6          HD11      ILE   6   2.428   3.369   3.369
   52    H    ALA   7           HN       ALA   7  -1.391   1.748   1.748
   53    HA   ALA   7           HA       ALA   7  -2.623  -0.508  -0.508
   54   1HB   ALA   7           HB1      ALA   7  -4.104   1.969   1.969
   55   2HB   ALA   7           HB3      ALA   7  -4.856   0.693   0.693
   56   3HB   ALA   7           HB2      ALA   7  -4.261   0.300   0.300
   57    H    GLN   8           HN       GLN   8  -4.261   2.279   2.279
   58    HA   GLN   8           HA       GLN   8  -2.392   3.563   3.563
   59   1HB   GLN   8           HB2      GLN   8  -5.127   2.354   2.354
   60   2HB   GLN   8           HB1      GLN   8  -4.237   3.543   3.543
   61   1HG   GLN   8           HG2      GLN   8  -2.477   1.973   1.973
   62   2HG   GLN   8           HG1      GLN   8  -2.930   0.863   0.863
   63   1HE2  GLN   8          HE22      GLN   8  -5.936  -0.389  -0.389
   64   2HE2  GLN   8          HE21      GLN   8  -5.392   0.117   0.117
   65    HA   PRO   9           HA       PRO   9  -4.370   6.174   6.174
   66   1HB   PRO   9           HB2      PRO   9  -4.898   8.273   8.273
   67   2HB   PRO   9           HB1      PRO   9  -4.065   8.513   8.513
   68   1HG   PRO   9           HG1      PRO   9  -2.601   8.250   8.250
   69   2HG   PRO   9           HG2      PRO   9  -2.103   7.284   7.284
   70   1HD   PRO   9           HD1      PRO   9  -3.780   6.332   6.332
   71   2HD   PRO   9           HD2      PRO   9  -2.344   5.553   5.553
   72    H    GLU  10           HN       GLU  10  -6.643   4.610   4.610
   73    HA   GLU  10           HA       GLU  10  -8.809   6.640   6.640
   74   1HB   GLU  10           HB2      GLU  10  -8.712   4.066   4.066
   75   2HB   GLU  10           HB1      GLU  10 -10.041   5.259   5.259
   76   1HG   GLU  10           HG2      GLU  10  -7.164   5.806   5.806
   77   2HG   GLU  10           HG1      GLU  10  -8.593   5.446   5.446
   78    H    ASN  11           HN       ASN  11  -7.612   5.189   5.189
   79    HA   ASN  11           HA       ASN  11  -7.796   3.746   3.746
   80   1HB   ASN  11           HB2      ASN  11  -9.820   5.362   5.362
   81   2HB   ASN  11           HB1      ASN  11 -10.833   3.930   3.930
   82   1HD2  ASN  11          HD22      ASN  11  -9.893   4.301   4.301
   83   2HD2  ASN  11          HD21      ASN  11 -10.107   5.585   5.585
   84    H    CYS  12           HN       CYS  12  -7.093   2.213   2.213
   85    HA   CYS  12           HA       CYS  12  -9.035  -0.035  -0.035
   86   1HB   CYS  12           HB2      CYS  12  -6.945   0.738   0.738
   87   2HB   CYS  12           HB1      CYS  12  -7.891  -0.788  -0.788
   88    H    VAL  13           HN       VAL  13  -6.877  -1.804  -1.804
   89    HA   VAL  13           HA       VAL  13  -4.766  -1.613  -1.613
   90    HB   VAL  13           HB       VAL  13  -4.963  -4.220  -4.220
   91   1HG1  VAL  13          HG11      VAL  13  -6.759  -2.360  -2.360
   92   2HG1  VAL  13          HG13      VAL  13  -6.262  -4.040  -4.040
   93   3HG1  VAL  13          HG12      VAL  13  -5.030  -2.744  -2.744
   94   1HG2  VAL  13          HG23      VAL  13  -6.912  -4.459  -4.459
   95   2HG2  VAL  13          HG22      VAL  13  -7.230  -5.151  -5.151
   96   3HG2  VAL  13          HG21      VAL  13  -7.966  -3.570  -3.570
   97    H    TYR  14           HN       TYR  14  -3.205  -3.191  -3.191
   98    HA   TYR  14           HA       TYR  14  -3.843  -3.477  -3.477
   99   1HB   TYR  14           HB2      TYR  14  -1.330  -2.893  -2.893
  100   2HB   TYR  14           HB1      TYR  14  -1.113  -4.320  -4.320
  101    HD1  TYR  14           HD1      TYR  14  -2.637  -3.748  -3.748
  102    HD2  TYR  14           HD2      TYR  14  -0.204  -1.153  -1.153
  103    HE1  TYR  14           HE1      TYR  14  -2.230  -2.311  -2.311
  104    HE2  TYR  14           HE2      TYR  14   0.227   0.270   0.270
  105    HH   TYR  14           HH       TYR  14  -1.442  -0.227  -0.227
  106    H    HIS  15           HN       HIS  15  -1.963  -5.923  -5.923
  107    HA   HIS  15           HA       HIS  15  -3.118  -7.519  -7.519
  108   1HB   HIS  15           HB2      HIS  15  -3.374  -8.260  -8.260
  109   2HB   HIS  15           HB1      HIS  15  -3.230  -9.504  -9.504
  110    HD1  HIS  15           HD1      HIS  15  -5.652  -6.734  -6.734
  111    HD2  HIS  15           HD2      HIS  15  -5.466 -10.134 -10.134
  112    HE1  HIS  15           HE1      HIS  15  -7.979  -7.129  -7.129
  113    HE2  HIS  15           HE2      HIS  15  -7.819  -9.180  -9.180
  114    H    CYS  16           HN       CYS  16  -1.505  -9.661  -9.661
  115    HA   CYS  16           HA       CYS  16   1.080  -8.614  -8.614
  116   1HB   CYS  16           HB2      CYS  16   0.874  -8.283  -8.283
  117   2HB   CYS  16           HB1      CYS  16   0.236  -9.940  -9.940
  118    H    PHE  17           HN       PHE  17   2.345 -10.681 -10.681
  119    HA   PHE  17           HA       PHE  17   0.612 -13.024 -13.024
  120   1HB   PHE  17           HB2      PHE  17   3.199 -12.157 -12.157
  121   2HB   PHE  17           HB1      PHE  17   2.405 -13.768 -13.768
  122    HD1  PHE  17           HD2      PHE  17   0.113 -13.919 -13.919
  123    HD2  PHE  17           HD1      PHE  17   2.307 -10.228 -10.228
  124    HE1  PHE  17           HE2      PHE  17  -1.430 -13.029 -13.029
  125    HE2  PHE  17           HE1      PHE  17   0.765  -9.333  -9.333
  126    HZ   PHE  17           HZ       PHE  17  -1.105 -10.728 -10.728
  127    HA   PRO  18           HA       PRO  18   2.773 -12.676 -12.676
  128   1HB   PRO  18           HB2      PRO  18   2.511 -15.740 -15.740
  129   2HB   PRO  18           HB1      PRO  18   2.416 -14.644 -14.644
  130   1HG   PRO  18           HG1      PRO  18   0.119 -15.418 -15.418
  131   2HG   PRO  18           HG2      PRO  18   0.317 -13.690 -13.690
  132   1HD   PRO  18           HD1      PRO  18   0.448 -14.826 -14.826
  133   2HD   PRO  18           HD2      PRO  18   0.114 -13.135 -13.135
  134    H    GLY  19           HN       GLY  19   4.870 -11.847 -11.847
  135   1HA   GLY  19           HA2      GLY  19   7.090 -13.113 -13.113
  136   2HA   GLY  19           HA1      GLY  19   6.825 -13.409 -13.409
  137    H    SER  20           HN       SER  20   8.757 -11.497 -11.497
  138    HA   SER  20           HA       SER  20   7.668  -8.949  -8.949
  139   1HB   SER  20           HB2      SER  20  10.214  -9.723  -9.723
  140   2HB   SER  20           HB1      SER  20   9.852  -8.100  -8.100
  141    HG   SER  20           HG       SER  20  10.410  -8.815  -8.815
  142    H    SER  21           HN       SER  21   7.835 -10.982 -10.982
  143    HA   SER  21           HA       SER  21   8.850  -9.555  -9.555
  144   1HB   SER  21           HB2      SER  21   6.364 -11.221 -11.221
  145   2HB   SER  21           HB1      SER  21   7.855 -11.011 -11.011
  146    HG   SER  21           HG       SER  21   7.816 -12.962 -12.962
  147    H    GLY  22           HN       GLY  22   5.225  -9.480  -9.480
  148   1HA   GLY  22           HA2      GLY  22   5.344  -7.424  -7.424
  149   2HA   GLY  22           HA1      GLY  22   3.894  -8.054  -8.054
  150    H    CYS  23           HN       CYS  23   4.622  -7.457  -7.457
  151    HA   CYS  23           HA       CYS  23   3.695  -4.820  -4.820
  152   1HB   CYS  23           HB2      CYS  23   4.778  -6.706  -6.706
  153   2HB   CYS  23           HB1      CYS  23   4.276  -5.035  -5.035
  154    H    ASP  24           HN       ASP  24   6.949  -6.236  -6.236
  155    HA   ASP  24           HA       ASP  24   7.986  -3.799  -3.799
  156   1HB   ASP  24           HB2      ASP  24   8.981  -6.088  -6.088
  157   2HB   ASP  24           HB1      ASP  24   9.514  -6.151  -6.151
  158    H    THR  25           HN       THR  25   7.692  -5.264  -5.264
  159    HA   THR  25           HA       THR  25   9.235  -3.344  -3.344
  160    HB   THR  25           HB       THR  25   6.760  -4.791  -4.791
  161    HG1  THR  25           HG1      THR  25   8.135  -6.400  -6.400
  162   1HG2  THR  25          HG23      THR  25   9.255  -3.662  -3.662
  163   2HG2  THR  25          HG22      THR  25   7.910  -4.578  -4.578
  164   3HG2  THR  25          HG21      THR  25   7.597  -2.963  -2.963
  165    H    LEU  26           HN       LEU  26   5.654  -3.518  -3.518
  166    HA   LEU  26           HA       LEU  26   5.029  -1.118  -1.118
  167   1HB   LEU  26           HB2      LEU  26   3.651  -2.580  -2.580
  168   2HB   LEU  26           HB1      LEU  26   2.942  -1.138  -1.138
  169    HG   LEU  26           HG       LEU  26   3.730  -3.638  -3.638
  170   1HD1  LEU  26          HD12      LEU  26   1.004  -3.017  -3.017
  171   2HD1  LEU  26          HD11      LEU  26   1.335  -4.328  -4.328
  172   3HD1  LEU  26          HD13      LEU  26   2.129  -4.353  -4.353
  173   1HD2  LEU  26          HD22      LEU  26   3.441  -1.572  -1.572
  174   2HD2  LEU  26          HD21      LEU  26   2.115  -2.741  -2.741
  175   3HD2  LEU  26          HD23      LEU  26   1.815  -1.296  -1.296
  176    H    CYS  27           HN       CYS  27   5.895  -1.855  -1.855
  177    HA   CYS  27           HA       CYS  27   5.505   0.596   0.596
  178   1HB   CYS  27           HB2      CYS  27   6.117  -1.612  -1.612
  179   2HB   CYS  27           HB1      CYS  27   7.805  -1.372  -1.372
  180    H    LYS  28           HN       LYS  28   8.417  -0.657  -0.657
  181    HA   LYS  28           HA       LYS  28   9.895   1.690   1.690
  182   1HB   LYS  28           HB2      LYS  28  10.520  -0.561  -0.561
  183   2HB   LYS  28           HB1      LYS  28  11.587   0.867   0.867
  184   1HG   LYS  28           HG2      LYS  28  11.698   0.367   0.367
  185   2HG   LYS  28           HG1      LYS  28  10.756  -1.140  -1.140
  186   1HD   LYS  28           HD2      LYS  28  12.551  -2.147  -2.147
  187   2HD   LYS  28           HD1      LYS  28  13.365  -0.558  -0.558
  188   1HE   LYS  28           HE2      LYS  28  14.603  -1.954  -1.954
  189   2HE   LYS  28           HE1      LYS  28  13.957  -0.445  -0.445
  190   1HZ   LYS  28           HZ3      LYS  28  12.676  -3.123  -3.123
  191   2HZ   LYS  28           HZ2      LYS  28  13.666  -2.418  -2.418
  192   3HZ   LYS  28           HZ1      LYS  28  12.189  -1.693  -1.693
  193    H    GLU  29           HN       GLU  29   7.958   0.730   0.730
  194    HA   GLU  29           HA       GLU  29   8.925   2.991   2.991
  195   1HB   GLU  29           HB2      GLU  29   7.308   2.497   2.497
  196   2HB   GLU  29           HB1      GLU  29   8.188   1.014   1.014
  197   1HG   GLU  29           HG2      GLU  29   6.209   0.386   0.386
  198   2HG   GLU  29           HG1      GLU  29   5.290   1.788   1.788
  199    H    LYS  30           HN       LYS  30   6.386   2.541   2.541
  200    HA   LYS  30           HA       LYS  30   5.129   5.080   5.080
  201   1HB   LYS  30           HB2      LYS  30   5.036   3.210   3.210
  202   2HB   LYS  30           HB1      LYS  30   4.254   4.827   4.827
  203   1HG   LYS  30           HG2      LYS  30   3.572   2.647   2.647
  204   2HG   LYS  30           HG1      LYS  30   2.731   2.871   2.871
  205   1HD   LYS  30           HD2      LYS  30   2.253   5.294   5.294
  206   2HD   LYS  30           HD1      LYS  30   2.823   4.891   4.891
  207   1HE   LYS  30           HE2      LYS  30   0.475   3.531   3.531
  208   2HE   LYS  30           HE1      LYS  30   0.319   4.770   4.770
  209   1HZ   LYS  30           HZ1      LYS  30   1.578   2.089   2.089
  210   2HZ   LYS  30           HZ3      LYS  30   0.024   2.532   2.532
  211   3HZ   LYS  30           HZ2      LYS  30   1.394   3.249   3.249
  212    H    GLY  31           HN       GLY  31   7.249   3.813   3.813
  213   1HA   GLY  31           HA2      GLY  31   9.361   4.997   4.997
  214   2HA   GLY  31           HA1      GLY  31   8.420   6.531   6.531
  215    H    GLY  32           HN       GLY  32   8.024   3.231   3.231
  216   1HA   GLY  32           HA2      GLY  32   8.645   4.482   4.482
  217   2HA   GLY  32           HA1      GLY  32   7.668   2.971   2.971
  218    H    THR  33           HN       THR  33  10.550   3.481   3.481
  219    HA   THR  33           HA       THR  33  12.243   2.439   2.439
  220    HB   THR  33           HB       THR  33  14.007   2.491   2.491
  221    HG1  THR  33           HG1      THR  33  12.771   2.313   2.313
  222   1HG2  THR  33          HG23      THR  33  13.589   4.414   4.414
  223   2HG2  THR  33          HG22      THR  33  12.345   5.078   5.078
  224   3HG2  THR  33          HG21      THR  33  14.072   5.002   5.002
  225    H    SER  34           HN       SER  34  10.810   1.306   1.306
  226    HA   SER  34           HA       SER  34  12.001  -1.334  -1.334
  227   1HB   SER  34           HB2      SER  34  10.643  -0.531  -0.531
  228   2HB   SER  34           HB1      SER  34  11.955  -1.734  -1.734
  229    HG   SER  34           HG       SER  34  12.781   0.138   0.138
  230    H    GLY  35           HN       GLY  35  10.382  -3.150  -3.150
  231   1HA   GLY  35           HA2      GLY  35   7.638  -2.253  -2.253
  232   2HA   GLY  35           HA1      GLY  35   8.494  -2.785  -2.785
  233    H    HIS  36           HN       HIS  36   6.324  -4.137  -4.137
  234    HA   HIS  36           HA       HIS  36   7.580  -6.679  -6.679
  235   1HB   HIS  36           HB2      HIS  36   6.381  -5.319  -5.319
  236   2HB   HIS  36           HB1      HIS  36   7.007  -7.002  -7.002
  237    HD1  HIS  36           HD1      HIS  36   8.076  -3.492  -3.492
  238    HD2  HIS  36           HD2      HIS  36   9.910  -7.212  -7.212
  239    HE1  HIS  36           HE1      HIS  36  10.503  -3.256  -3.256
  240    HE2  HIS  36           HE2      HIS  36  11.576  -5.515  -5.515
  241    H    CYS  37           HN       CYS  37   5.102  -7.396  -7.396
  242    HA   CYS  37           HA       CYS  37   2.942  -6.403  -6.403
  243   1HB   CYS  37           HB2      CYS  37   3.562  -9.441  -9.441
  244   2HB   CYS  37           HB1      CYS  37   1.993  -8.724  -8.724
  245    H    GLY  38           HN       GLY  38   0.970  -7.649  -7.649
  246   1HA   GLY  38           HA2      GLY  38   1.471  -8.765  -8.765
  247   2HA   GLY  38           HA1      GLY  38   1.222  -6.955  -6.955
  248    H    PHE  39           HN       PHE  39  -1.027  -8.096  -8.096
  249    HA   PHE  39           HA       PHE  39  -2.838  -8.214  -8.214
  250   1HB   PHE  39           HB2      PHE  39  -2.539 -10.384 -10.384
  251   2HB   PHE  39           HB1      PHE  39  -3.369  -9.439  -9.439
  252    HD1  PHE  39           HD2      PHE  39  -5.761  -8.627  -8.627
  253    HD2  PHE  39           HD1      PHE  39  -3.705 -11.420 -11.420
  254    HE1  PHE  39           HE2      PHE  39  -7.926  -9.401  -9.401
  255    HE2  PHE  39           HE1      PHE  39  -5.870 -12.204 -12.204
  256    HZ   PHE  39           HZ       PHE  39  -7.992 -11.216 -11.216
  257    H    LYS  40           HN       LYS  40  -4.605  -6.686  -6.686
  258    HA   LYS  40           HA       LYS  40  -4.311  -4.869  -4.869
  259   1HB   LYS  40           HB2      LYS  40  -3.869  -3.715  -3.715
  260   2HB   LYS  40           HB1      LYS  40  -5.376  -4.399  -4.399
  261   1HG   LYS  40           HG2      LYS  40  -5.622  -2.046  -2.046
  262   2HG   LYS  40           HG1      LYS  40  -6.762  -3.012  -3.012
  263   1HD   LYS  40           HD2      LYS  40  -4.065  -2.322  -2.322
  264   2HD   LYS  40           HD1      LYS  40  -5.206  -0.968  -0.968
  265   1HE   LYS  40           HE2      LYS  40  -6.956  -2.036  -2.036
  266   2HE   LYS  40           HE1      LYS  40  -5.905  -3.477  -3.477
  267   1HZ   LYS  40           HZ2      LYS  40  -5.264  -0.692  -0.692
  268   2HZ   LYS  40           HZ1      LYS  40  -5.832  -1.934  -1.934
  269   3HZ   LYS  40           HZ3      LYS  40  -4.310  -2.067  -2.067
  270    H    VAL  41           HN       VAL  41  -5.664  -6.033  -6.033
  271    HA   VAL  41           HA       VAL  41  -7.904  -7.433  -7.433
  272    HB   VAL  41           HB       VAL  41  -7.482  -6.582  -6.582
  273   1HG1  VAL  41          HG13      VAL  41  -8.815  -9.025  -9.025
  274   2HG1  VAL  41          HG12      VAL  41  -8.694  -8.754  -8.754
  275   3HG1  VAL  41          HG11      VAL  41  -9.686  -7.642  -7.642
  276   1HG2  VAL  41          HG23      VAL  41  -6.180  -8.964  -8.964
  277   2HG2  VAL  41          HG22      VAL  41  -5.303  -7.550  -7.550
  278   3HG2  VAL  41          HG21      VAL  41  -6.168  -8.695  -8.695
  279    H    GLY  42           HN       GLY  42  -9.835  -6.547  -6.547
  280   1HA   GLY  42           HA2      GLY  42 -11.550  -4.889  -4.889
  281   2HA   GLY  42           HA1      GLY  42 -10.191  -3.706  -3.706
  282    H    HIS  43           HN       HIS  43  -8.919  -5.078  -5.078
  283    HA   HIS  43           HA       HIS  43 -11.009  -4.819  -4.819
  284   1HB   HIS  43           HB2      HIS  43  -8.125  -3.791  -3.791
  285   2HB   HIS  43           HB1      HIS  43  -9.013  -4.150  -4.150
  286    HD1  HIS  43           HD1      HIS  43  -8.382  -1.468  -1.468
  287    HD2  HIS  43           HD2      HIS  43 -11.599  -2.504  -2.504
  288    HE1  HIS  43           HE1      HIS  43  -9.863   0.574   0.574
  289    HE2  HIS  43           HE2      HIS  43 -11.772  -0.079  -0.079
  290    H    GLY  44           HN       GLY  44  -7.546  -6.129  -6.129
  291   1HA   GLY  44           HA2      GLY  44  -8.173  -8.694  -8.694
  292   2HA   GLY  44           HA1      GLY  44  -8.137  -7.969  -7.969
  293    H    LEU  45           HN       LEU  45  -6.234  -9.317  -9.317
  294    HA   LEU  45           HA       LEU  45  -3.779  -8.902  -8.902
  295   1HB   LEU  45           HB2      LEU  45  -4.426 -10.971 -10.971
  296   2HB   LEU  45           HB1      LEU  45  -4.556  -9.956  -9.956
  297    HG   LEU  45           HG       LEU  45  -2.080  -9.533  -9.533
  298   1HD1  LEU  45          HD12      LEU  45  -2.059 -11.700 -11.700
  299   2HD1  LEU  45          HD11      LEU  45  -0.621 -11.054 -11.054
  300   3HD1  LEU  45          HD13      LEU  45  -1.577  -9.972  -9.972
  301   1HD2  LEU  45          HD23      LEU  45  -3.065 -11.299 -11.299
  302   2HD2  LEU  45          HD22      LEU  45  -1.466 -11.819 -11.819
  303   3HD2  LEU  45          HD21      LEU  45  -2.975 -12.489 -12.489
  304    H    ALA  46           HN       ALA  46  -1.928  -7.423  -7.423
  305    HA   ALA  46           HA       ALA  46  -2.805  -5.488  -5.488
  306   1HB   ALA  46           HB3      ALA  46  -3.822  -4.695  -4.695
  307   2HB   ALA  46           HB2      ALA  46  -2.182  -4.752  -4.752
  308   3HB   ALA  46           HB1      ALA  46  -2.549  -3.572  -3.572
  309    H    CYS  47           HN       CYS  47  -0.731  -3.646  -3.646
  310    HA   CYS  47           HA       CYS  47   1.633  -5.433  -5.433
  311   1HB   CYS  47           HB2      CYS  47   1.025  -2.794  -2.794
  312   2HB   CYS  47           HB1      CYS  47   2.700  -3.434  -3.434
  313    H    TRP  48           HN       TRP  48   3.565  -4.122  -4.122
  314    HA   TRP  48           HA       TRP  48   2.482  -2.060  -2.060
  315   1HB   TRP  48           HB2      TRP  48   2.654  -4.052  -4.052
  316   2HB   TRP  48           HB1      TRP  48   4.269  -4.433  -4.433
  317    HD1  TRP  48           HD1      TRP  48   6.347  -2.872  -2.872
  318    HE1  TRP  48           HE1      TRP  48   6.755  -1.261  -1.261
  319    HE3  TRP  48           HE3      TRP  48   1.554  -2.636  -2.636
  320    HZ2  TRP  48           HZ2      TRP  48   5.137  -0.029  -0.029
  321    HZ3  TRP  48           HZ3      TRP  48   1.023  -1.212  -1.212
  322    HH2  TRP  48           HH2      TRP  48   2.794   0.077   0.077
  323    H    CYS  49           HN       CYS  49   4.030  -0.328  -0.328
  324    HA   CYS  49           HA       CYS  49   6.577  -0.616  -0.616
  325   1HB   CYS  49           HB2      CYS  49   4.605   1.715   1.715
  326   2HB   CYS  49           HB1      CYS  49   6.362   1.853   1.853
  327    H    ASN  50           HN       ASN  50   8.144   0.777   0.777
  328    HA   ASN  50           HA       ASN  50   7.149   2.447   2.447
  329   1HB   ASN  50           HB2      ASN  50   9.905   1.071   1.071
  330   2HB   ASN  50           HB1      ASN  50   9.510   2.374   2.374
  331   1HD2  ASN  50          HD22      ASN  50   8.020   0.250   0.250
  332   2HD2  ASN  50          HD21      ASN  50   8.432   1.867   1.867
  333    H    ALA  51           HN       ALA  51   7.841   4.566   4.566
  334    HA   ALA  51           HA       ALA  51   8.934   6.294   6.294
  335   1HB   ALA  51           HB2      ALA  51  11.123   5.133   5.133
  336   2HB   ALA  51           HB1      ALA  51  10.899   4.706   4.706
  337   3HB   ALA  51           HB3      ALA  51  11.064   6.430   6.430
  338    H    LEU  52           HN       LEU  52   6.633   6.106   6.106
  339    HA   LEU  52           HA       LEU  52   6.965   6.636   6.636
  340   1HB   LEU  52           HB2      LEU  52   4.490   6.234   6.234
  341   2HB   LEU  52           HB1      LEU  52   4.372   6.945   6.945
  342    HG   LEU  52           HG       LEU  52   5.672   4.218   4.218
  343   1HD1  LEU  52          HD13      LEU  52   3.338   4.109   4.109
  344   2HD1  LEU  52          HD12      LEU  52   2.731   4.825   4.825
  345   3HD1  LEU  52          HD11      LEU  52   3.497   3.194   3.194
  346   1HD2  LEU  52          HD22      LEU  52   6.152   5.445   5.445
  347   2HD2  LEU  52          HD21      LEU  52   5.316   3.872   3.872
  348   3HD2  LEU  52          HD23      LEU  52   4.398   5.413   5.413
  349    HA   PRO  53           HA       PRO  53   6.854  10.811  10.811
  350   1HB   PRO  53           HB2      PRO  53   6.649  12.304  12.304
  351   2HB   PRO  53           HB1      PRO  53   8.164  11.513  11.513
  352   1HG   PRO  53           HG1      PRO  53   6.183  10.502  10.502
  353   2HG   PRO  53           HG2      PRO  53   7.990  10.469  10.469
  354   1HD   PRO  53           HD1      PRO  53   6.410   8.269   8.269
  355   2HD   PRO  53           HD2      PRO  53   8.065   8.536   8.536
  356    H    ASP  54           HN       ASP  54   5.501  12.766  12.766
  357    HA   ASP  54           HA       ASP  54   3.019  12.113  12.113
  358   1HB   ASP  54           HB2      ASP  54   4.109  14.834  14.834
  359   2HB   ASP  54           HB1      ASP  54   2.613  14.621  14.621
  360    H    ASN  55           HN       ASN  55   3.887  12.812  12.812
  361    HA   ASN  55           HA       ASN  55   1.262  13.804  13.804
  362   1HB   ASN  55           HB2      ASN  55   2.173  13.950  13.950
  363   2HB   ASN  55           HB1      ASN  55   3.210  14.813  14.813
  364   1HD2  ASN  55          HD21      ASN  55   4.914  11.926  11.926
  365   2HD2  ASN  55          HD22      ASN  55   3.376  12.636  12.636
  366    H    VAL  56           HN       VAL  56   2.428  10.735  10.735
  367    HA   VAL  56           HA       VAL  56   0.975   9.470   9.470
  368    HB   VAL  56           HB       VAL  56   2.462   8.063   8.063
  369   1HG1  VAL  56          HG11      VAL  56   1.546   7.256   7.256
  370   2HG1  VAL  56          HG13      VAL  56   2.663   6.283   6.283
  371   3HG1  VAL  56          HG12      VAL  56   0.987   6.553   6.553
  372   1HG2  VAL  56          HG22      VAL  56   3.558   9.168   9.168
  373   2HG2  VAL  56          HG21      VAL  56   4.088   9.620   9.620
  374   3HG2  VAL  56          HG23      VAL  56   4.404   7.973   7.973
  375    H    GLY  57           HN       GLY  57  -0.733   7.652   7.652
  376   1HA   GLY  57           HA2      GLY  57  -1.872   8.344   8.344
  377   2HA   GLY  57           HA1      GLY  57  -2.875   8.653   8.653
  378    H    ILE  58           HN       ILE  58  -3.361   6.350   6.350
  379    HA   ILE  58           HA       ILE  58  -2.179   4.072   4.072
  380    HB   ILE  58           HB       ILE  58  -1.453   3.208   3.208
  381   1HG1  ILE  58          HG12      ILE  58  -1.582   6.154   6.154
  382   2HG1  ILE  58          HG11      ILE  58  -2.796   4.933   4.933
  383   1HG2  ILE  58          HG23      ILE  58   0.042   4.288   4.288
  384   2HG2  ILE  58          HG22      ILE  58   0.023   5.783   5.783
  385   3HG2  ILE  58          HG21      ILE  58   0.711   4.266   4.266
  386   1HD1  ILE  58          HD11      ILE  58  -0.951   3.495   3.495
  387   2HD1  ILE  58          HD13      ILE  58   0.235   4.798   4.798
  388   3HD1  ILE  58          HD12      ILE  58  -1.083   5.114   5.114
  389    H    ILE  59           HN       ILE  59  -3.241   2.943   2.943
  390    HA   ILE  59           HA       ILE  59  -5.906   2.379   2.379
  391    HB   ILE  59           HB       ILE  59  -5.062   1.935   1.935
  392   1HG1  ILE  59          HG12      ILE  59  -3.149   1.098   1.098
  393   2HG1  ILE  59          HG11      ILE  59  -4.201  -0.245  -0.245
  394   1HG2  ILE  59          HG21      ILE  59  -6.914   0.462   0.462
  395   2HG2  ILE  59          HG23      ILE  59  -6.596  -0.043  -0.043
  396   3HG2  ILE  59          HG22      ILE  59  -7.419   1.515   1.515
  397   1HD1  ILE  59          HD13      ILE  59  -4.907  -0.583  -0.583
  398   2HD1  ILE  59          HD12      ILE  59  -3.698   0.673   0.673
  399   3HD1  ILE  59          HD11      ILE  59  -3.153  -0.856  -0.856
  400    H    VAL  60           HN       VAL  60  -6.126   4.909   4.909
  401    HA   VAL  60           HA       VAL  60  -7.381   6.112   6.112
  402    HB   VAL  60           HB       VAL  60  -4.584   6.398   6.398
  403   1HG1  VAL  60          HG13      VAL  60  -5.026   7.871   7.871
  404   2HG1  VAL  60          HG12      VAL  60  -5.991   8.978   8.978
  405   3HG1  VAL  60          HG11      VAL  60  -4.233   8.758   8.758
  406   1HG2  VAL  60          HG22      VAL  60  -5.757   6.570   6.570
  407   2HG2  VAL  60          HG21      VAL  60  -4.730   8.028   8.028
  408   3HG2  VAL  60          HG23      VAL  60  -6.519   8.122   8.122
  409    H    GLU  61           HN       GLU  61  -8.897   7.603   7.603
  410    HA   GLU  61           HA       GLU  61  -9.144   9.302   9.302
  411   1HB   GLU  61           HB2      GLU  61  -8.802   7.532   7.532
  412   2HB   GLU  61           HB1      GLU  61 -10.381   6.865   6.865
  413   1HG   GLU  61           HG2      GLU  61 -10.525   8.382   8.382
  414   2HG   GLU  61           HG1      GLU  61 -11.501   9.016   9.016
  415    H    GLY  62           HN       GLY  62 -12.015   8.704   8.704
  416   1HA   GLY  62           HA2      GLY  62 -12.863   8.692   8.692
  417   2HA   GLY  62           HA1      GLY  62 -13.840   8.895   8.895
  418    H    GLU  63           HN       GLU  63 -11.936   6.470   6.470
  419    HA   GLU  63           HA       GLU  63 -12.283   4.486   4.486
  420   1HB   GLU  63           HB2      GLU  63 -14.274   5.562   5.562
  421   2HB   GLU  63           HB1      GLU  63 -15.232   4.969   4.969
  422   1HG   GLU  63           HG2      GLU  63 -14.757   2.586   2.586
  423   2HG   GLU  63           HG1      GLU  63 -13.738   3.188   3.188
  424    H    LYS  64           HN       LYS  64 -14.182   4.904   4.904
  425    HA   LYS  64           HA       LYS  64 -14.279   1.989   1.989
  426   1HB   LYS  64           HB2      LYS  64 -16.315   3.703   3.703
  427   2HB   LYS  64           HB1      LYS  64 -15.702   4.006   4.006
  428   1HG   LYS  64           HG2      LYS  64 -17.524   2.417   2.417
  429   2HG   LYS  64           HG1      LYS  64 -16.044   1.514   1.514
  430   1HD   LYS  64           HD2      LYS  64 -15.917   0.499   0.499
  431   2HD   LYS  64           HD1      LYS  64 -17.206   1.576   1.576
  432   1HE   LYS  64           HE2      LYS  64 -17.632  -0.564  -0.564
  433   2HE   LYS  64           HE1      LYS  64 -17.989  -0.790  -0.790
  434   1HZ   LYS  64           HZ2      LYS  64 -19.208   1.274   1.274
  435   2HZ   LYS  64           HZ1      LYS  64 -19.929  -0.180  -0.180
  436   3HZ   LYS  64           HZ3      LYS  64 -19.541   1.017   1.017
  437    H    CYS  65           HN       CYS  65 -13.743   0.963   0.963
  438    HA   CYS  65           HA       CYS  65 -11.493   2.257   2.257
  439   1HB   CYS  65           HB2      CYS  65 -11.188  -0.102  -0.102
  440   2HB   CYS  65           HB1      CYS  65 -12.649  -0.589  -0.589
  441    H    HIS  66           HN       HIS  66 -11.496   2.685   2.685
  442    HA   HIS  66           HA       HIS  66 -13.596   2.052   2.052
  443   1HB   HIS  66           HB2      HIS  66 -14.293   4.551   4.551
  444   2HB   HIS  66           HB1      HIS  66 -14.992   3.792   3.792
  445    HD1  HIS  66           HD1      HIS  66 -12.312   6.330   6.330
  446    HD2  HIS  66           HD2      HIS  66 -14.268   4.813   4.813
  447    HE1  HIS  66           HE1      HIS  66 -11.630   7.767   7.767
  448    HE2  HIS  66           HE2      HIS  66 -12.842   6.825   6.825
  449    H    SER  67           HN       SER  67 -12.875   4.020   4.020
  450    HA   SER  67           HA       SER  67 -10.387   5.059   5.059
  451   1HB   SER  67           HB2      SER  67 -10.695   2.416   2.416
  452   2HB   SER  67           HB1      SER  67  -9.396   3.633   3.633
  453    HG   SER  67           HG       SER  67  -9.762   2.656   2.656
  454   1HN   NH2  68           H1       NH2  68 -11.849   6.142   6.142
  455   2HN   NH2  68           H2       NH2  68 -10.285   5.919   5.919

  Start of MODEL    5
    1   1H    VAL   1           HT3      VAL   1   6.164  12.781  12.781
    2   2H    VAL   1           HT2      VAL   1   7.414  11.958  11.958
    3   3H    VAL   1           HT1      VAL   1   7.706  12.682  12.682
    4    HA   VAL   1           HA       VAL   1   6.134  11.228  11.228
    5    HB   VAL   1           HB       VAL   1   7.455   9.068   9.068
    6   1HG1  VAL   1          HG11      VAL   1   8.075  10.902  10.902
    7   2HG1  VAL   1          HG13      VAL   1   9.082  11.674  11.674
    8   3HG1  VAL   1          HG12      VAL   1   9.515  10.042  10.042
    9   1HG2  VAL   1          HG22      VAL   1   7.987   9.195   9.195
   10   2HG2  VAL   1          HG21      VAL   1   9.446   8.980   8.980
   11   3HG2  VAL   1          HG23      VAL   1   9.081  10.594  10.594
   12    H    ARG   2           HN       ARG   2   5.370   8.796   8.796
   13    HA   ARG   2           HA       ARG   2   3.612   8.703   8.703
   14   1HB   ARG   2           HB2      ARG   2   3.193   7.564   7.564
   15   2HB   ARG   2           HB1      ARG   2   1.930   7.723   7.723
   16   1HG   ARG   2           HG2      ARG   2   1.812  10.152  10.152
   17   2HG   ARG   2           HG1      ARG   2   3.375  10.152  10.152
   18   1HD   ARG   2           HD2      ARG   2   1.923  10.362  10.362
   19   2HD   ARG   2           HD1      ARG   2   2.356   8.621   8.621
   20    HE   ARG   2           HE       ARG   2   0.174   8.047   8.047
   21   1HH1  ARG   2          HH11      ARG   2   0.439  11.475  11.475
   22   2HH1  ARG   2          HH12      ARG   2  -1.262  11.760  11.760
   23   1HH2  ARG   2          HH21      ARG   2  -2.096   8.478   8.478
   24   2HH2  ARG   2          HH22      ARG   2  -2.723  10.036  10.036
   25    H    ASP   3           HN       ASP   3   3.170   6.343   6.343
   26    HA   ASP   3           HA       ASP   3   4.583   4.344   4.344
   27   1HB   ASP   3           HB2      ASP   3   4.471   4.147   4.147
   28   2HB   ASP   3           HB1      ASP   3   5.406   3.152   3.152
   29    H    GLY   4           HN       GLY   4   2.838   2.669   2.669
   30   1HA   GLY   4           HA2      GLY   4   0.972   2.500   2.500
   31   2HA   GLY   4           HA1      GLY   4   0.277   3.320   3.320
   32    H    TYR   5           HN       TYR   5  -0.941   1.095   1.095
   33    HA   TYR   5           HA       TYR   5   0.594  -0.931  -0.931
   34   1HB   TYR   5           HB2      TYR   5  -2.354  -0.446  -0.446
   35   2HB   TYR   5           HB1      TYR   5  -1.950  -1.510  -1.510
   36    HD1  TYR   5           HD2      TYR   5  -1.446  -1.018  -1.018
   37    HD2  TYR   5           HD1      TYR   5  -1.286  -3.748  -3.748
   38    HE1  TYR   5           HE2      TYR   5  -1.201  -2.910  -2.910
   39    HE2  TYR   5           HE1      TYR   5  -1.073  -5.636  -5.636
   40    HH   TYR   5           HH       TYR   5  -1.578  -6.241  -6.241
   41    H    ILE   6           HN       ILE   6   0.470  -1.028  -1.028
   42    HA   ILE   6           HA       ILE   6  -0.022   1.673   1.673
   43    HB   ILE   6           HB       ILE   6   2.232   0.965   0.965
   44   1HG1  ILE   6          HG12      ILE   6   0.462   1.126   1.126
   45   2HG1  ILE   6          HG11      ILE   6   0.970   2.527   2.527
   46   1HG2  ILE   6          HG23      ILE   6   1.822  -1.499  -1.499
   47   2HG2  ILE   6          HG22      ILE   6   0.917  -1.269  -1.269
   48   3HG2  ILE   6          HG21      ILE   6   2.678  -0.912  -0.912
   49   1HD1  ILE   6          HD13      ILE   6   2.879   0.661   0.661
   50   2HD1  ILE   6          HD12      ILE   6   2.335   2.303   2.303
   51   3HD1  ILE   6          HD11      ILE   6   3.358   2.115   2.115
   52    H    ALA   7           HN       ALA   7  -1.485   1.993   1.993
   53    HA   ALA   7           HA       ALA   7  -3.433  -0.079  -0.079
   54   1HB   ALA   7           HB3      ALA   7  -4.379   1.894   1.894
   55   2HB   ALA   7           HB2      ALA   7  -3.817   3.005   3.005
   56   3HB   ALA   7           HB1      ALA   7  -5.113   1.796   1.796
   57    H    GLN   8           HN       GLN   8  -4.598   2.075   2.075
   58    HA   GLN   8           HA       GLN   8  -2.632   2.097   2.097
   59   1HB   GLN   8           HB2      GLN   8  -5.706   1.814   1.814
   60   2HB   GLN   8           HB1      GLN   8  -4.603   2.025   2.025
   61   1HG   GLN   8           HG2      GLN   8  -3.550  -0.160  -0.160
   62   2HG   GLN   8           HG1      GLN   8  -4.392  -0.370  -0.370
   63   1HE2  GLN   8          HE22      GLN   8  -7.311  -1.742  -1.742
   64   2HE2  GLN   8          HE21      GLN   8  -6.341  -1.454  -1.454
   65    HA   PRO   9           HA       PRO   9  -2.458   5.574   5.574
   66   1HB   PRO   9           HB2      PRO   9  -2.433   7.236   7.236
   67   2HB   PRO   9           HB1      PRO   9  -1.137   7.132   7.132
   68   1HG   PRO   9           HG1      PRO   9  -0.915   5.736   5.736
   69   2HG   PRO   9           HG2      PRO   9  -0.512   4.909   4.909
   70   1HD   PRO   9           HD1      PRO   9  -3.149   4.728   4.728
   71   2HD   PRO   9           HD2      PRO   9  -2.134   3.423   3.423
   72    H    GLU  10           HN       GLU  10  -5.398   5.474   5.474
   73    HA   GLU  10           HA       GLU  10  -5.979   8.365   8.365
   74   1HB   GLU  10           HB2      GLU  10  -7.921   6.293   6.293
   75   2HB   GLU  10           HB1      GLU  10  -8.198   8.039   8.039
   76   1HG   GLU  10           HG2      GLU  10  -7.863   7.892   7.892
   77   2HG   GLU  10           HG1      GLU  10  -6.337   8.578   8.578
   78    H    ASN  11           HN       ASN  11  -7.791   5.232   5.232
   79    HA   ASN  11           HA       ASN  11  -6.855   4.857   4.857
   80   1HB   ASN  11           HB2      ASN  11  -8.840   6.540   6.540
   81   2HB   ASN  11           HB1      ASN  11  -9.929   5.367   5.367
   82   1HD2  ASN  11          HD22      ASN  11 -10.015   4.687   4.687
   83   2HD2  ASN  11          HD21      ASN  11 -10.779   5.668   5.668
   84    H    CYS  12           HN       CYS  12  -7.265   2.597   2.597
   85    HA   CYS  12           HA       CYS  12  -9.194   1.090   1.090
   86   1HB   CYS  12           HB2      CYS  12  -6.862   1.298   1.298
   87   2HB   CYS  12           HB1      CYS  12  -7.886  -0.166  -0.166
   88    H    VAL  13           HN       VAL  13  -7.292  -1.171  -1.171
   89    HA   VAL  13           HA       VAL  13  -5.177  -0.917  -0.917
   90    HB   VAL  13           HB       VAL  13  -5.370  -3.531  -3.531
   91   1HG1  VAL  13          HG11      VAL  13  -7.155  -1.607  -1.607
   92   2HG1  VAL  13          HG13      VAL  13  -6.835  -3.337  -3.337
   93   3HG1  VAL  13          HG12      VAL  13  -5.490  -2.172  -2.172
   94   1HG2  VAL  13          HG22      VAL  13  -7.213  -3.793  -3.793
   95   2HG2  VAL  13          HG21      VAL  13  -7.628  -4.483  -4.483
   96   3HG2  VAL  13          HG23      VAL  13  -8.345  -2.908  -2.908
   97    H    TYR  14           HN       TYR  14  -3.517  -2.518  -2.518
   98    HA   TYR  14           HA       TYR  14  -3.898  -2.717  -2.717
   99   1HB   TYR  14           HB2      TYR  14  -1.545  -2.415  -2.415
  100   2HB   TYR  14           HB1      TYR  14  -1.386  -3.986  -3.986
  101    HD1  TYR  14           HD1      TYR  14  -2.594  -3.461  -3.461
  102    HD2  TYR  14           HD2      TYR  14   0.036  -1.105  -1.105
  103    HE1  TYR  14           HE1      TYR  14  -1.783  -2.294  -2.294
  104    HE2  TYR  14           HE2      TYR  14   0.851   0.076   0.076
  105    HH   TYR  14           HH       TYR  14  -0.535  -0.508  -0.508
  106    H    HIS  15           HN       HIS  15  -2.444  -5.402  -5.402
  107    HA   HIS  15           HA       HIS  15  -3.654  -6.959  -6.959
  108   1HB   HIS  15           HB2      HIS  15  -4.327  -7.384  -7.384
  109   2HB   HIS  15           HB1      HIS  15  -4.317  -8.717  -8.717
  110    HD1  HIS  15           HD1      HIS  15  -6.359  -5.721  -5.721
  111    HD2  HIS  15           HD2      HIS  15  -6.282  -8.548  -8.548
  112    HE1  HIS  15           HE1      HIS  15  -8.534  -5.490  -5.490
  113    HE2  HIS  15           HE2      HIS  15  -8.430  -7.192  -7.192
  114    H    CYS  16           HN       CYS  16  -2.227  -9.177  -9.177
  115    HA   CYS  16           HA       CYS  16   0.048  -8.559  -8.559
  116   1HB   CYS  16           HB2      CYS  16   0.575  -7.137  -7.137
  117   2HB   CYS  16           HB1      CYS  16   0.333  -8.593  -8.593
  118    H    PHE  17           HN       PHE  17   1.303 -10.622 -10.622
  119    HA   PHE  17           HA       PHE  17  -0.390 -12.854 -12.854
  120   1HB   PHE  17           HB2      PHE  17   2.572 -12.588 -12.588
  121   2HB   PHE  17           HB1      PHE  17   1.425 -13.920 -13.920
  122    HD1  PHE  17           HD1      PHE  17  -0.771 -13.092 -13.092
  123    HD2  PHE  17           HD2      PHE  17   2.866 -10.796 -10.796
  124    HE1  PHE  17           HE1      PHE  17  -1.333 -11.978 -11.978
  125    HE2  PHE  17           HE2      PHE  17   2.290  -9.691  -9.691
  126    HZ   PHE  17           HZ       PHE  17   0.198 -10.284 -10.284
  127    HA   PRO  18           HA       PRO  18   1.971 -12.502 -12.502
  128   1HB   PRO  18           HB2      PRO  18   1.904 -15.576 -15.576
  129   2HB   PRO  18           HB1      PRO  18   1.675 -14.465 -14.465
  130   1HG   PRO  18           HG1      PRO  18  -0.503 -15.513 -15.513
  131   2HG   PRO  18           HG2      PRO  18  -0.494 -13.725 -13.725
  132   1HD   PRO  18           HD1      PRO  18   0.164 -15.169 -15.169
  133   2HD   PRO  18           HD2      PRO  18  -0.844 -13.681 -13.681
  134    H    GLY  19           HN       GLY  19   3.912 -11.813 -11.813
  135   1HA   GLY  19           HA2      GLY  19   6.192 -12.923 -12.923
  136   2HA   GLY  19           HA1      GLY  19   5.951 -13.418 -13.418
  137    H    SER  20           HN       SER  20   7.979 -11.341 -11.341
  138    HA   SER  20           HA       SER  20   6.666  -8.842  -8.842
  139   1HB   SER  20           HB2      SER  20   9.656  -9.543  -9.543
  140   2HB   SER  20           HB1      SER  20   8.966  -7.916  -7.916
  141    HG   SER  20           HG       SER  20   9.665  -9.042  -9.042
  142    H    SER  21           HN       SER  21   7.430 -11.133 -11.133
  143    HA   SER  21           HA       SER  21   8.826  -9.965  -9.965
  144   1HB   SER  21           HB2      SER  21   6.459 -11.799 -11.799
  145   2HB   SER  21           HB1      SER  21   8.143 -11.843 -11.843
  146    HG   SER  21           HG       SER  21   7.988 -13.435 -13.435
  147    H    GLY  22           HN       GLY  22   5.431  -9.274  -9.274
  148   1HA   GLY  22           HA2      GLY  22   5.120  -7.961  -7.961
  149   2HA   GLY  22           HA1      GLY  22   3.918  -8.133  -8.133
  150    H    CYS  23           HN       CYS  23   4.434  -6.892  -6.892
  151    HA   CYS  23           HA       CYS  23   4.549  -4.295  -4.295
  152   1HB   CYS  23           HB2      CYS  23   4.094  -5.008  -5.008
  153   2HB   CYS  23           HB1      CYS  23   3.880  -3.398  -3.398
  154    H    ASP  24           HN       ASP  24   7.219  -6.077  -6.077
  155    HA   ASP  24           HA       ASP  24   8.477  -3.818  -3.818
  156   1HB   ASP  24           HB2      ASP  24   9.282  -6.209  -6.209
  157   2HB   ASP  24           HB1      ASP  24   9.796  -6.236  -6.236
  158    H    THR  25           HN       THR  25   8.542  -5.317  -5.317
  159    HA   THR  25           HA       THR  25  10.091  -3.589  -3.589
  160    HB   THR  25           HB       THR  25   7.550  -4.815  -4.815
  161    HG1  THR  25           HG1      THR  25   8.184  -6.825  -6.825
  162   1HG2  THR  25          HG23      THR  25  10.541  -4.857  -4.857
  163   2HG2  THR  25          HG22      THR  25   9.177  -5.555  -5.555
  164   3HG2  THR  25          HG21      THR  25   9.270  -3.776  -3.776
  165    H    LEU  26           HN       LEU  26   6.506  -3.505  -3.505
  166    HA   LEU  26           HA       LEU  26   6.035  -1.216  -1.216
  167   1HB   LEU  26           HB2      LEU  26   4.430  -2.334  -2.334
  168   2HB   LEU  26           HB1      LEU  26   3.857  -1.015  -1.015
  169    HG   LEU  26           HG       LEU  26   4.573  -3.804  -3.804
  170   1HD1  LEU  26          HD12      LEU  26   2.695  -3.965  -3.965
  171   2HD1  LEU  26          HD11      LEU  26   1.808  -2.669  -2.669
  172   3HD1  LEU  26          HD13      LEU  26   2.125  -4.242  -4.242
  173   1HD2  LEU  26          HD23      LEU  26   3.015  -1.426  -1.426
  174   2HD2  LEU  26          HD22      LEU  26   4.647  -1.999  -1.999
  175   3HD2  LEU  26          HD21      LEU  26   3.213  -3.055  -3.055
  176    H    CYS  27           HN       CYS  27   6.607  -1.667  -1.667
  177    HA   CYS  27           HA       CYS  27   6.156   0.878   0.878
  178   1HB   CYS  27           HB2      CYS  27   6.821  -1.272  -1.272
  179   2HB   CYS  27           HB1      CYS  27   8.514  -0.795  -0.795
  180    H    LYS  28           HN       LYS  28   9.133  -0.497  -0.497
  181    HA   LYS  28           HA       LYS  28  10.638   1.846   1.846
  182   1HB   LYS  28           HB2      LYS  28  11.163  -0.543  -0.543
  183   2HB   LYS  28           HB1      LYS  28  12.320   0.831   0.831
  184   1HG   LYS  28           HG2      LYS  28  12.520   0.498   0.498
  185   2HG   LYS  28           HG1      LYS  28  11.263  -0.782  -0.782
  186   1HD   LYS  28           HD2      LYS  28  12.698  -2.322  -2.322
  187   2HD   LYS  28           HD1      LYS  28  13.895  -1.030  -1.030
  188   1HE   LYS  28           HE2      LYS  28  14.675  -2.567  -2.567
  189   2HE   LYS  28           HE1      LYS  28  14.534  -0.842  -0.842
  190   1HZ   LYS  28           HZ1      LYS  28  12.503  -2.961  -2.961
  191   2HZ   LYS  28           HZ3      LYS  28  13.655  -2.417  -2.417
  192   3HZ   LYS  28           HZ2      LYS  28  12.459  -1.353  -1.353
  193    H    GLU  29           HN       GLU  29   8.708   0.823   0.823
  194    HA   GLU  29           HA       GLU  29   9.666   3.120   3.120
  195   1HB   GLU  29           HB2      GLU  29   7.913   2.634   2.634
  196   2HB   GLU  29           HB1      GLU  29   9.079   1.308   1.308
  197   1HG   GLU  29           HG2      GLU  29   7.437   0.097   0.097
  198   2HG   GLU  29           HG1      GLU  29   6.231   1.423   1.423
  199    H    LYS  30           HN       LYS  30   6.923   2.533   2.533
  200    HA   LYS  30           HA       LYS  30   5.660   5.016   5.016
  201   1HB   LYS  30           HB2      LYS  30   5.248   3.154   3.154
  202   2HB   LYS  30           HB1      LYS  30   4.265   4.633   4.633
  203   1HG   LYS  30           HG2      LYS  30   4.509   2.307   2.307
  204   2HG   LYS  30           HG1      LYS  30   3.210   2.422   2.422
  205   1HD   LYS  30           HD2      LYS  30   2.209   4.326   4.326
  206   2HD   LYS  30           HD1      LYS  30   3.648   4.716   4.716
  207   1HE   LYS  30           HE2      LYS  30   1.898   2.199   2.199
  208   2HE   LYS  30           HE1      LYS  30   1.802   3.731   3.731
  209   1HZ   LYS  30           HZ2      LYS  30   4.113   3.406   3.406
  210   2HZ   LYS  30           HZ1      LYS  30   4.165   1.941   1.941
  211   3HZ   LYS  30           HZ3      LYS  30   3.137   2.104   2.104
  212    H    GLY  31           HN       GLY  31   8.105   3.939   3.939
  213   1HA   GLY  31           HA2      GLY  31   9.830   5.438   5.438
  214   2HA   GLY  31           HA1      GLY  31   8.665   6.811   6.811
  215    H    GLY  32           HN       GLY  32   8.404   3.599   3.599
  216   1HA   GLY  32           HA2      GLY  32   8.896   4.930   4.930
  217   2HA   GLY  32           HA1      GLY  32   7.892   3.448   3.448
  218    H    THR  33           HN       THR  33  10.602   3.924   3.924
  219    HA   THR  33           HA       THR  33  12.557   2.999   2.999
  220    HB   THR  33           HB       THR  33  12.720   2.867   2.867
  221    HG1  THR  33           HG1      THR  33  13.229   5.084   5.084
  222   1HG2  THR  33          HG21      THR  33  14.707   3.661   3.661
  223   2HG2  THR  33          HG23      THR  33  15.091   3.620   3.620
  224   3HG2  THR  33          HG22      THR  33  14.711   2.099   2.099
  225    H    SER  34           HN       SER  34  10.228   1.235   1.235
  226    HA   SER  34           HA       SER  34  11.122  -1.175  -1.175
  227   1HB   SER  34           HB2      SER  34  11.529  -0.799  -0.799
  228   2HB   SER  34           HB1      SER  34  11.646  -2.373  -2.373
  229    HG   SER  34           HG       SER  34  13.164  -0.404  -0.404
  230    H    GLY  35           HN       GLY  35   9.513  -2.964  -2.964
  231   1HA   GLY  35           HA2      GLY  35   7.257  -2.174  -2.174
  232   2HA   GLY  35           HA1      GLY  35   7.085  -2.078  -2.078
  233    H    HIS  36           HN       HIS  36   5.652  -4.216  -4.216
  234    HA   HIS  36           HA       HIS  36   6.949  -6.477  -6.477
  235   1HB   HIS  36           HB2      HIS  36   6.906  -7.811  -7.811
  236   2HB   HIS  36           HB1      HIS  36   8.161  -6.542  -6.542
  237    HD1  HIS  36           HD1      HIS  36   7.508  -4.385  -4.385
  238    HD2  HIS  36           HD2      HIS  36   4.977  -7.705  -7.705
  239    HE1  HIS  36           HE1      HIS  36   6.188  -4.055  -4.055
  240    HE2  HIS  36           HE2      HIS  36   4.691  -6.086  -6.086
  241    H    CYS  37           HN       CYS  37   4.961  -8.200  -8.200
  242    HA   CYS  37           HA       CYS  37   2.524  -6.715  -6.715
  243   1HB   CYS  37           HB2      CYS  37   3.271  -9.534  -9.534
  244   2HB   CYS  37           HB1      CYS  37   1.671  -8.740  -8.740
  245    H    GLY  38           HN       GLY  38   0.581  -7.689  -7.689
  246   1HA   GLY  38           HA2      GLY  38   1.119  -9.642  -9.642
  247   2HA   GLY  38           HA1      GLY  38   1.289  -7.935  -7.935
  248    H    PHE  39           HN       PHE  39  -0.962  -9.401  -9.401
  249    HA   PHE  39           HA       PHE  39  -3.085  -8.798  -8.798
  250   1HB   PHE  39           HB2      PHE  39  -2.694 -11.176 -11.176
  251   2HB   PHE  39           HB1      PHE  39  -3.231 -10.411 -10.411
  252    HD1  PHE  39           HD2      PHE  39  -4.291 -10.644 -10.644
  253    HD2  PHE  39           HD1      PHE  39  -5.515 -10.767 -10.767
  254    HE1  PHE  39           HE2      PHE  39  -6.605 -11.113 -11.113
  255    HE2  PHE  39           HE1      PHE  39  -7.830 -11.238 -11.238
  256    HZ   PHE  39           HZ       PHE  39  -8.386 -11.440 -11.440
  257    H    LYS  40           HN       LYS  40  -5.132  -7.824  -7.824
  258    HA   LYS  40           HA       LYS  40  -4.930  -6.912  -6.912
  259   1HB   LYS  40           HB2      LYS  40  -5.848  -4.611  -4.611
  260   2HB   LYS  40           HB1      LYS  40  -4.117  -4.733  -4.733
  261   1HG   LYS  40           HG2      LYS  40  -4.590  -4.973  -4.973
  262   2HG   LYS  40           HG1      LYS  40  -6.358  -5.073  -5.073
  263   1HD   LYS  40           HD2      LYS  40  -4.799  -2.571  -2.571
  264   2HD   LYS  40           HD1      LYS  40  -5.271  -2.850  -2.850
  265   1HE   LYS  40           HE2      LYS  40  -6.967  -1.440  -1.440
  266   2HE   LYS  40           HE1      LYS  40  -7.705  -3.064  -3.064
  267   1HZ   LYS  40           HZ1      LYS  40  -6.630  -2.125  -2.125
  268   2HZ   LYS  40           HZ3      LYS  40  -8.252  -1.991  -1.991
  269   3HZ   LYS  40           HZ2      LYS  40  -7.546  -3.522  -3.522
  270    H    VAL  41           HN       VAL  41  -7.571  -6.016  -6.016
  271    HA   VAL  41           HA       VAL  41  -9.003  -7.526  -7.526
  272    HB   VAL  41           HB       VAL  41 -10.097  -7.629  -7.629
  273   1HG1  VAL  41          HG12      VAL  41  -9.999  -9.587  -9.587
  274   2HG1  VAL  41          HG11      VAL  41 -10.928  -9.846  -9.846
  275   3HG1  VAL  41          HG13      VAL  41 -11.365  -8.489  -8.489
  276   1HG2  VAL  41          HG23      VAL  41  -7.745  -9.429  -9.429
  277   2HG2  VAL  41          HG22      VAL  41  -7.811  -8.322  -8.322
  278   3HG2  VAL  41          HG21      VAL  41  -8.861  -9.778  -9.778
  279    H    GLY  42           HN       GLY  42 -11.169  -6.394  -6.394
  280   1HA   GLY  42           HA2      GLY  42 -12.293  -4.372  -4.372
  281   2HA   GLY  42           HA1      GLY  42 -10.684  -3.559  -3.559
  282    H    HIS  43           HN       HIS  43  -9.665  -4.776  -4.776
  283    HA   HIS  43           HA       HIS  43 -11.719  -4.863  -4.863
  284   1HB   HIS  43           HB2      HIS  43  -8.819  -3.893  -3.893
  285   2HB   HIS  43           HB1      HIS  43  -9.886  -4.267  -4.267
  286    HD1  HIS  43           HD1      HIS  43  -8.792  -1.512  -1.512
  287    HD2  HIS  43           HD2      HIS  43 -12.422  -2.500  -2.500
  288    HE1  HIS  43           HE1      HIS  43 -10.110   0.634   0.634
  289    HE2  HIS  43           HE2      HIS  43 -12.315  -0.019  -0.019
  290    H    GLY  44           HN       GLY  44  -8.116  -5.881  -5.881
  291   1HA   GLY  44           HA2      GLY  44  -8.529  -8.384  -8.384
  292   2HA   GLY  44           HA1      GLY  44  -8.839  -8.351  -8.351
  293    H    LEU  45           HN       LEU  45  -6.860  -9.216  -9.216
  294    HA   LEU  45           HA       LEU  45  -4.423  -8.620  -8.620
  295   1HB   LEU  45           HB2      LEU  45  -4.959 -10.687 -10.687
  296   2HB   LEU  45           HB1      LEU  45  -5.000  -9.638  -9.638
  297    HG   LEU  45           HG       LEU  45  -2.579  -9.142  -9.142
  298   1HD1  LEU  45          HD13      LEU  45  -2.321  -9.393  -9.393
  299   2HD1  LEU  45          HD12      LEU  45  -2.557 -11.175 -11.175
  300   3HD1  LEU  45          HD11      LEU  45  -1.135 -10.372 -10.372
  301   1HD2  LEU  45          HD23      LEU  45  -3.301 -11.074 -11.074
  302   2HD2  LEU  45          HD22      LEU  45  -1.735 -11.431 -11.431
  303   3HD2  LEU  45          HD21      LEU  45  -3.259 -12.162 -12.162
  304    H    ALA  46           HN       ALA  46  -2.647  -7.174  -7.174
  305    HA   ALA  46           HA       ALA  46  -3.449  -4.944  -4.944
  306   1HB   ALA  46           HB2      ALA  46  -3.067  -4.953  -4.953
  307   2HB   ALA  46           HB1      ALA  46  -3.147  -3.439  -3.439
  308   3HB   ALA  46           HB3      ALA  46  -4.593  -4.512  -4.512
  309    H    CYS  47           HN       CYS  47  -1.065  -3.405  -3.405
  310    HA   CYS  47           HA       CYS  47   0.700  -5.483  -5.483
  311   1HB   CYS  47           HB2      CYS  47   2.466  -4.999  -4.999
  312   2HB   CYS  47           HB1      CYS  47   1.095  -6.022  -6.022
  313    H    TRP  48           HN       TRP  48   3.101  -3.957  -3.957
  314    HA   TRP  48           HA       TRP  48   2.151  -1.703  -1.703
  315   1HB   TRP  48           HB2      TRP  48   2.661  -3.671  -3.671
  316   2HB   TRP  48           HB1      TRP  48   4.238  -3.872  -3.872
  317    HD1  TRP  48           HD1      TRP  48   6.234  -2.202  -2.202
  318    HE1  TRP  48           HE1      TRP  48   6.564  -0.538  -0.538
  319    HE3  TRP  48           HE3      TRP  48   1.461  -2.237  -2.237
  320    HZ2  TRP  48           HZ2      TRP  48   4.856   0.813   0.813
  321    HZ3  TRP  48           HZ3      TRP  48   0.863  -0.764  -0.764
  322    HH2  TRP  48           HH2      TRP  48   2.538   0.754   0.754
  323    H    CYS  49           HN       CYS  49   3.825   0.029   0.029
  324    HA   CYS  49           HA       CYS  49   6.253  -0.264  -0.264
  325   1HB   CYS  49           HB2      CYS  49   4.161   1.843   1.843
  326   2HB   CYS  49           HB1      CYS  49   5.906   2.227   2.227
  327    H    ASN  50           HN       ASN  50   7.807   1.207   1.207
  328    HA   ASN  50           HA       ASN  50   6.812   2.981   2.981
  329   1HB   ASN  50           HB2      ASN  50   9.393   1.316   1.316
  330   2HB   ASN  50           HB1      ASN  50   9.436   2.894   2.894
  331   1HD2  ASN  50          HD21      ASN  50   7.644   1.839   1.839
  332   2HD2  ASN  50          HD22      ASN  50   8.096   3.214   3.214
  333    H    ALA  51           HN       ALA  51   7.362   5.096   5.096
  334    HA   ALA  51           HA       ALA  51   8.416   6.856   6.856
  335   1HB   ALA  51           HB2      ALA  51  10.600   5.728   5.728
  336   2HB   ALA  51           HB1      ALA  51  10.565   5.208   5.208
  337   3HB   ALA  51           HB3      ALA  51  10.674   6.957   6.957
  338    H    LEU  52           HN       LEU  52   6.227   6.401   6.401
  339    HA   LEU  52           HA       LEU  52   6.870   6.709   6.709
  340   1HB   LEU  52           HB2      LEU  52   4.213   6.420   6.420
  341   2HB   LEU  52           HB1      LEU  52   4.272   6.939   6.939
  342    HG   LEU  52           HG       LEU  52   5.525   4.322   4.322
  343   1HD1  LEU  52          HD13      LEU  52   2.689   4.833   4.833
  344   2HD1  LEU  52          HD12      LEU  52   3.421   3.210   3.210
  345   3HD1  LEU  52          HD11      LEU  52   3.107   4.281   4.281
  346   1HD2  LEU  52          HD21      LEU  52   6.214   5.297   5.297
  347   2HD2  LEU  52          HD23      LEU  52   5.530   3.630   3.630
  348   3HD2  LEU  52          HD22      LEU  52   4.525   5.035   5.035
  349    HA   PRO  53           HA       PRO  53   6.432  11.035  11.035
  350   1HB   PRO  53           HB2      PRO  53   6.521  12.216  12.216
  351   2HB   PRO  53           HB1      PRO  53   7.955  11.472  11.472
  352   1HG   PRO  53           HG1      PRO  53   6.089  10.180  10.180
  353   2HG   PRO  53           HG2      PRO  53   7.897  10.223  10.223
  354   1HD   PRO  53           HD1      PRO  53   6.442   8.059   8.059
  355   2HD   PRO  53           HD2      PRO  53   7.991   8.573   8.573
  356    H    ASP  54           HN       ASP  54   5.124  12.992  12.992
  357    HA   ASP  54           HA       ASP  54   2.504  12.386  12.386
  358   1HB   ASP  54           HB2      ASP  54   3.819  14.964  14.964
  359   2HB   ASP  54           HB1      ASP  54   2.179  14.901  14.901
  360    H    ASN  55           HN       ASN  55   3.880  12.380  12.380
  361    HA   ASN  55           HA       ASN  55   1.416  13.297  13.297
  362   1HB   ASN  55           HB2      ASN  55   2.622  13.003  13.003
  363   2HB   ASN  55           HB1      ASN  55   3.509  14.084  14.084
  364   1HD2  ASN  55          HD21      ASN  55   5.323  10.652  10.652
  365   2HD2  ASN  55          HD22      ASN  55   3.806  11.211  11.211
  366    H    VAL  56           HN       VAL  56   2.346  10.477  10.477
  367    HA   VAL  56           HA       VAL  56   1.016   8.814   8.814
  368    HB   VAL  56           HB       VAL  56   2.279   7.610   7.610
  369   1HG1  VAL  56          HG11      VAL  56   1.964   6.710   6.710
  370   2HG1  VAL  56          HG13      VAL  56   2.670   5.732   5.732
  371   3HG1  VAL  56          HG12      VAL  56   0.936   6.167   6.167
  372   1HG2  VAL  56          HG21      VAL  56   3.830   8.574   8.574
  373   2HG2  VAL  56          HG23      VAL  56   4.071   9.138   9.138
  374   3HG2  VAL  56          HG22      VAL  56   4.467   7.459   7.459
  375    H    GLY  57           HN       GLY  57  -0.470   7.048   7.048
  376   1HA   GLY  57           HA2      GLY  57  -1.723   8.495   8.495
  377   2HA   GLY  57           HA1      GLY  57  -2.701   8.201   8.201
  378    H    ILE  58           HN       ILE  58  -3.273   6.596   6.596
  379    HA   ILE  58           HA       ILE  58  -2.153   4.042   4.042
  380    HB   ILE  58           HB       ILE  58  -1.424   3.716   3.716
  381   1HG1  ILE  58          HG12      ILE  58  -1.351   6.786   6.786
  382   2HG1  ILE  58          HG11      ILE  58  -2.649   5.811   5.811
  383   1HG2  ILE  58          HG21      ILE  58   0.161   4.049   4.049
  384   2HG2  ILE  58          HG23      ILE  58   0.255   5.793   5.793
  385   3HG2  ILE  58          HG22      ILE  58   0.824   4.547   4.547
  386   1HD1  ILE  58          HD12      ILE  58   0.356   5.538   5.538
  387   2HD1  ILE  58          HD11      ILE  58  -0.877   6.415   6.415
  388   3HD1  ILE  58          HD13      ILE  58  -1.015   4.634   4.634
  389    H    ILE  59           HN       ILE  59  -3.124   3.028   3.028
  390    HA   ILE  59           HA       ILE  59  -5.892   3.025   3.025
  391    HB   ILE  59           HB       ILE  59  -5.151   2.207   2.207
  392   1HG1  ILE  59          HG12      ILE  59  -3.246   1.229   1.229
  393   2HG1  ILE  59          HG11      ILE  59  -4.458   0.022   0.022
  394   1HG2  ILE  59          HG23      ILE  59  -7.475   2.150   2.150
  395   2HG2  ILE  59          HG22      ILE  59  -6.969   1.013   1.013
  396   3HG2  ILE  59          HG21      ILE  59  -6.874   0.518   0.518
  397   1HD1  ILE  59          HD12      ILE  59  -5.194   0.011   0.011
  398   2HD1  ILE  59          HD11      ILE  59  -3.556   0.736   0.736
  399   3HD1  ILE  59          HD13      ILE  59  -3.700  -0.868  -0.868
  400    H    VAL  60           HN       VAL  60  -7.385   4.460   4.460
  401    HA   VAL  60           HA       VAL  60  -6.552   6.241   6.241
  402    HB   VAL  60           HB       VAL  60  -8.344   6.603   6.603
  403   1HG1  VAL  60          HG12      VAL  60  -8.472   8.217   8.217
  404   2HG1  VAL  60          HG11      VAL  60  -9.209   8.684   8.684
  405   3HG1  VAL  60          HG13      VAL  60  -9.789   7.213   7.213
  406   1HG2  VAL  60          HG22      VAL  60  -5.957   7.198   7.198
  407   2HG2  VAL  60          HG21      VAL  60  -6.992   8.666   8.666
  408   3HG2  VAL  60          HG23      VAL  60  -6.072   8.268   8.268
  409    H    GLU  61           HN       GLU  61  -7.181   5.250   5.250
  410    HA   GLU  61           HA       GLU  61  -8.202   4.039   4.039
  411   1HB   GLU  61           HB2      GLU  61 -10.062   5.549   5.549
  412   2HB   GLU  61           HB1      GLU  61 -10.739   4.653   4.653
  413   1HG   GLU  61           HG2      GLU  61 -11.448   2.809   2.809
  414   2HG   GLU  61           HG1      GLU  61 -10.414   3.363   3.363
  415    H    GLY  62           HN       GLY  62 -10.601   2.497   2.497
  416   1HA   GLY  62           HA2      GLY  62  -9.041   0.717   0.717
  417   2HA   GLY  62           HA1      GLY  62  -9.674  -0.028  -0.028
  418    H    GLU  63           HN       GLU  63 -10.892   2.714   2.714
  419    HA   GLU  63           HA       GLU  63 -13.543   1.535   1.535
  420   1HB   GLU  63           HB2      GLU  63 -13.095   3.729   3.729
  421   2HB   GLU  63           HB1      GLU  63 -12.664   4.433   4.433
  422   1HG   GLU  63           HG2      GLU  63 -15.060   3.939   3.939
  423   2HG   GLU  63           HG1      GLU  63 -15.426   3.334   3.334
  424    H    LYS  64           HN       LYS  64 -12.008   3.696   3.696
  425    HA   LYS  64           HA       LYS  64 -14.096   2.694   2.694
  426   1HB   LYS  64           HB2      LYS  64 -13.670   5.258   5.258
  427   2HB   LYS  64           HB1      LYS  64 -12.505   5.230   5.230
  428   1HG   LYS  64           HG2      LYS  64 -14.609   6.179   6.179
  429   2HG   LYS  64           HG1      LYS  64 -14.388   4.606   4.606
  430   1HD   LYS  64           HD2      LYS  64 -16.705   4.865   4.865
  431   2HD   LYS  64           HD1      LYS  64 -16.022   3.565   3.565
  432   1HE   LYS  64           HE2      LYS  64 -15.849   5.182   5.182
  433   2HE   LYS  64           HE1      LYS  64 -16.472   6.511   6.511
  434   1HZ   LYS  64           HZ3      LYS  64 -17.930   4.013   4.013
  435   2HZ   LYS  64           HZ2      LYS  64 -18.160   5.538   5.538
  436   3HZ   LYS  64           HZ1      LYS  64 -18.519   5.304   5.304
  437    H    CYS  65           HN       CYS  65 -13.394   2.862   2.862
  438    HA   CYS  65           HA       CYS  65 -10.627   2.615   2.615
  439   1HB   CYS  65           HB2      CYS  65 -11.285   0.169   0.169
  440   2HB   CYS  65           HB1      CYS  65 -12.707   0.448   0.448
  441    H    HIS  66           HN       HIS  66 -10.482   3.849   3.849
  442    HA   HIS  66           HA       HIS  66 -12.778   4.119   4.119
  443   1HB   HIS  66           HB2      HIS  66 -12.926   6.705   6.705
  444   2HB   HIS  66           HB1      HIS  66 -13.690   5.740   5.740
  445    HD1  HIS  66           HD1      HIS  66 -10.149   7.146   7.146
  446    HD2  HIS  66           HD2      HIS  66 -13.141   6.788   6.788
  447    HE1  HIS  66           HE1      HIS  66  -9.242   8.171   8.171
  448    HE2  HIS  66           HE2      HIS  66 -11.092   7.968   7.968
  449    H    SER  67           HN       SER  67 -11.918   6.026   6.026
  450    HA   SER  67           HA       SER  67  -9.241   6.555   6.555
  451   1HB   SER  67           HB2      SER  67 -10.308   4.269   4.269
  452   2HB   SER  67           HB1      SER  67  -8.803   5.197   5.197
  453    HG   SER  67           HG       SER  67  -9.043   4.084   4.084
  454   1HN   NH2  68           H1       NH2  68  -9.228   7.602   7.602
  455   2HN   NH2  68           H2       NH2  68 -10.745   8.357   8.357

  Start of MODEL    6
    1   1H    VAL   1           HT1      VAL   1   7.964  11.452  11.452
    2   2H    VAL   1           HT3      VAL   1   8.338  12.109  12.109
    3   3H    VAL   1           HT2      VAL   1   6.820  12.405  12.405
    4    HA   VAL   1           HA       VAL   1   6.587  10.827  10.827
    5    HB   VAL   1           HB       VAL   1   7.646   8.557   8.557
    6   1HG1  VAL   1          HG11      VAL   1   8.638  10.335  10.335
    7   2HG1  VAL   1          HG13      VAL   1   9.708  10.862  10.862
    8   3HG1  VAL   1          HG12      VAL   1   9.887   9.216   9.216
    9   1HG2  VAL   1          HG21      VAL   1   9.306   9.779   9.779
   10   2HG2  VAL   1          HG23      VAL   1   8.107   8.435   8.435
   11   3HG2  VAL   1          HG22      VAL   1   9.625   8.213   8.213
   12    H    ARG   2           HN       ARG   2   5.251   8.778   8.778
   13    HA   ARG   2           HA       ARG   2   4.095   8.516   8.516
   14   1HB   ARG   2           HB2      ARG   2   3.056   7.251   7.251
   15   2HB   ARG   2           HB1      ARG   2   2.307   7.164   7.164
   16   1HG   ARG   2           HG2      ARG   2   0.924   8.638   8.638
   17   2HG   ARG   2           HG1      ARG   2   2.075   9.818   9.818
   18   1HD   ARG   2           HD2      ARG   2   2.699  10.600  10.600
   19   2HD   ARG   2           HD1      ARG   2   2.833   8.930   8.930
   20    HE   ARG   2           HE       ARG   2   0.682   9.088   9.088
   21   1HH1  ARG   2          HH11      ARG   2   0.994  11.707  11.707
   22   2HH1  ARG   2          HH12      ARG   2  -0.444  12.507  12.507
   23   1HH2  ARG   2          HH21      ARG   2  -1.162  10.200  10.200
   24   2HH2  ARG   2          HH22      ARG   2  -1.700  11.640  11.640
   25    H    ASP   3           HN       ASP   3   3.948   6.177   6.177
   26    HA   ASP   3           HA       ASP   3   5.408   4.282   4.282
   27   1HB   ASP   3           HB2      ASP   3   5.324   4.355   4.355
   28   2HB   ASP   3           HB1      ASP   3   6.045   3.047   3.047
   29    H    GLY   4           HN       GLY   4   3.620   2.742   2.742
   30   1HA   GLY   4           HA2      GLY   4   1.448   2.660   2.660
   31   2HA   GLY   4           HA1      GLY   4   1.154   3.701   3.701
   32    H    TYR   5           HN       TYR   5  -0.430   1.694   1.694
   33    HA   TYR   5           HA       TYR   5   0.852  -0.515  -0.515
   34   1HB   TYR   5           HB2      TYR   5  -2.042   0.116   0.116
   35   2HB   TYR   5           HB1      TYR   5  -1.697  -1.118  -1.118
   36    HD1  TYR   5           HD2      TYR   5  -1.241  -0.247  -0.247
   37    HD2  TYR   5           HD1      TYR   5  -0.798  -3.242  -3.242
   38    HE1  TYR   5           HE2      TYR   5  -1.125  -1.991  -1.991
   39    HE2  TYR   5           HE1      TYR   5  -0.726  -4.992  -4.992
   40    HH   TYR   5           HH       TYR   5  -1.629  -5.343  -5.343
   41    H    ILE   6           HN       ILE   6   0.656  -0.555  -0.555
   42    HA   ILE   6           HA       ILE   6  -0.025   2.049   2.049
   43    HB   ILE   6           HB       ILE   6   2.242   1.265   1.265
   44   1HG1  ILE   6          HG12      ILE   6   0.502   1.429   1.429
   45   2HG1  ILE   6          HG11      ILE   6   1.074   2.828   2.828
   46   1HG2  ILE   6          HG22      ILE   6   0.871  -1.049  -1.049
   47   2HG2  ILE   6          HG21      ILE   6   2.619  -0.660  -0.660
   48   3HG2  ILE   6          HG23      ILE   6   1.919  -1.159  -1.159
   49   1HD1  ILE   6          HD11      ILE   6   3.472   2.164   2.164
   50   2HD1  ILE   6          HD13      ILE   6   2.828   0.845   0.845
   51   3HD1  ILE   6          HD12      ILE   6   2.483   2.557   2.557
   52    H    ALA   7           HN       ALA   7  -1.459   2.286   2.286
   53    HA   ALA   7           HA       ALA   7  -3.390   0.189   0.189
   54   1HB   ALA   7           HB3      ALA   7  -4.375   2.162   2.162
   55   2HB   ALA   7           HB2      ALA   7  -3.810   3.240   3.240
   56   3HB   ALA   7           HB1      ALA   7  -5.072   1.995   1.995
   57    H    GLN   8           HN       GLN   8  -4.649   1.820   1.820
   58    HA   GLN   8           HA       GLN   8  -2.572   2.190   2.190
   59   1HB   GLN   8           HB2      GLN   8  -5.562   1.526   1.526
   60   2HB   GLN   8           HB1      GLN   8  -4.422   1.889   1.889
   61   1HG   GLN   8           HG2      GLN   8  -3.173  -0.156  -0.156
   62   2HG   GLN   8           HG1      GLN   8  -3.976  -0.479  -0.479
   63   1HE2  GLN   8          HE21      GLN   8  -6.637  -2.254  -2.254
   64   2HE2  GLN   8          HE22      GLN   8  -5.623  -1.989  -1.989
   65    HA   PRO   9           HA       PRO   9  -2.783   5.581   5.581
   66   1HB   PRO   9           HB2      PRO   9  -2.358   7.651   7.651
   67   2HB   PRO   9           HB1      PRO   9  -1.223   6.286   6.286
   68   1HG   PRO   9           HG1      PRO   9  -3.418   6.428   6.428
   69   2HG   PRO   9           HG2      PRO   9  -1.671   5.993   5.993
   70   1HD   PRO   9           HD1      PRO   9  -3.515   4.010   4.010
   71   2HD   PRO   9           HD2      PRO   9  -1.951   3.910   3.910
   72    H    GLU  10           HN       GLU  10  -5.776   5.525   5.525
   73    HA   GLU  10           HA       GLU  10  -6.487   8.248   8.248
   74   1HB   GLU  10           HB2      GLU  10  -8.148   6.126   6.126
   75   2HB   GLU  10           HB1      GLU  10  -8.672   7.804   7.804
   76   1HG   GLU  10           HG2      GLU  10  -6.763   8.714   8.714
   77   2HG   GLU  10           HG1      GLU  10  -6.328   7.034   7.034
   78    H    ASN  11           HN       ASN  11  -7.262   4.769   4.769
   79    HA   ASN  11           HA       ASN  11  -6.988   4.713   4.713
   80   1HB   ASN  11           HB2      ASN  11  -9.152   6.191   6.191
   81   2HB   ASN  11           HB1      ASN  11 -10.066   4.851   4.851
   82   1HD2  ASN  11          HD21      ASN  11 -10.350   4.148   4.148
   83   2HD2  ASN  11          HD22      ASN  11 -11.173   4.885   4.885
   84    H    CYS  12           HN       CYS  12  -7.277   2.475   2.475
   85    HA   CYS  12           HA       CYS  12  -8.817   0.671   0.671
   86   1HB   CYS  12           HB2      CYS  12  -7.184   1.440   1.440
   87   2HB   CYS  12           HB1      CYS  12  -6.465   0.025   0.025
   88    H    VAL  13           HN       VAL  13  -6.727  -1.455  -1.455
   89    HA   VAL  13           HA       VAL  13  -4.849  -0.965  -0.965
   90    HB   VAL  13           HB       VAL  13  -4.696  -3.519  -3.519
   91   1HG1  VAL  13          HG13      VAL  13  -6.997  -1.910  -1.910
   92   2HG1  VAL  13          HG12      VAL  13  -6.413  -3.513  -3.513
   93   3HG1  VAL  13          HG11      VAL  13  -5.318  -2.098  -2.098
   94   1HG2  VAL  13          HG21      VAL  13  -6.268  -4.179  -4.179
   95   2HG2  VAL  13          HG23      VAL  13  -6.760  -4.835  -4.835
   96   3HG2  VAL  13          HG22      VAL  13  -7.642  -3.415  -3.415
   97    H    TYR  14           HN       TYR  14  -2.832  -2.081  -2.081
   98    HA   TYR  14           HA       TYR  14  -3.205  -2.622  -2.622
   99   1HB   TYR  14           HB2      TYR  14  -0.977  -1.288  -1.288
  100   2HB   TYR  14           HB1      TYR  14  -0.386  -2.856  -2.856
  101    HD1  TYR  14           HD2      TYR  14  -1.975  -3.058  -3.058
  102    HD2  TYR  14           HD1      TYR  14   0.406   0.011   0.011
  103    HE1  TYR  14           HE2      TYR  14  -1.403  -2.165  -2.165
  104    HE2  TYR  14           HE1      TYR  14   1.012   0.879   0.879
  105    HH   TYR  14           HH       TYR  14   0.608   0.771   0.771
  106    H    HIS  15           HN       HIS  15  -2.591  -5.005  -5.005
  107    HA   HIS  15           HA       HIS  15  -2.767  -6.457  -6.457
  108   1HB   HIS  15           HB2      HIS  15  -2.904  -7.404  -7.404
  109   2HB   HIS  15           HB1      HIS  15  -2.847  -8.511  -8.511
  110    HD1  HIS  15           HD1      HIS  15  -5.114  -5.725  -5.725
  111    HD2  HIS  15           HD2      HIS  15  -5.213  -8.995  -8.995
  112    HE1  HIS  15           HE1      HIS  15  -7.504  -5.988  -5.988
  113    HE2  HIS  15           HE2      HIS  15  -7.524  -7.976  -7.976
  114    H    CYS  16           HN       CYS  16  -1.047  -8.681  -8.681
  115    HA   CYS  16           HA       CYS  16   1.484  -7.618  -7.618
  116   1HB   CYS  16           HB2      CYS  16   1.020  -6.904  -6.904
  117   2HB   CYS  16           HB1      CYS  16   0.783  -8.621  -8.621
  118    H    PHE  17           HN       PHE  17   2.856  -9.824  -9.824
  119    HA   PHE  17           HA       PHE  17   1.038 -12.012 -12.012
  120   1HB   PHE  17           HB2      PHE  17   3.733 -11.131 -11.131
  121   2HB   PHE  17           HB1      PHE  17   2.835 -12.639 -12.639
  122    HD1  PHE  17           HD2      PHE  17   0.545 -12.437 -12.437
  123    HD2  PHE  17           HD1      PHE  17   3.109  -9.016  -9.016
  124    HE1  PHE  17           HE2      PHE  17  -0.829 -11.192 -11.192
  125    HE2  PHE  17           HE1      PHE  17   1.753  -7.779  -7.779
  126    HZ   PHE  17           HZ       PHE  17  -0.220  -8.859  -8.859
  127    HA   PRO  18           HA       PRO  18   3.845 -13.012 -13.012
  128   1HB   PRO  18           HB2      PRO  18   3.040 -15.871 -15.871
  129   2HB   PRO  18           HB1      PRO  18   3.273 -15.245 -15.245
  130   1HG   PRO  18           HG1      PRO  18   0.750 -15.426 -15.426
  131   2HG   PRO  18           HG2      PRO  18   1.222 -13.962 -13.962
  132   1HD   PRO  18           HD1      PRO  18   0.920 -14.210 -14.210
  133   2HD   PRO  18           HD2      PRO  18   0.680 -12.783 -12.783
  134    H    GLY  19           HN       GLY  19   4.298 -13.936 -13.936
  135   1HA   GLY  19           HA2      GLY  19   7.148 -14.460 -14.460
  136   2HA   GLY  19           HA1      GLY  19   6.244 -14.585 -14.585
  137    H    SER  20           HN       SER  20   7.487 -12.394 -12.394
  138    HA   SER  20           HA       SER  20   5.972 -10.284 -10.284
  139   1HB   SER  20           HB2      SER  20   8.911 -10.224 -10.224
  140   2HB   SER  20           HB1      SER  20   7.568  -9.180  -9.180
  141    HG   SER  20           HG       SER  20   6.635 -11.036 -11.036
  142    H    SER  21           HN       SER  21   8.404 -11.157 -11.157
  143    HA   SER  21           HA       SER  21   9.696  -9.022  -9.022
  144   1HB   SER  21           HB2      SER  21   8.467 -10.904 -10.904
  145   2HB   SER  21           HB1      SER  21  10.149 -10.257 -10.257
  146    HG   SER  21           HG       SER  21   9.966 -12.449 -12.449
  147    H    GLY  22           HN       GLY  22   6.366  -9.783  -9.783
  148   1HA   GLY  22           HA2      GLY  22   6.225  -7.845  -7.845
  149   2HA   GLY  22           HA1      GLY  22   4.843  -8.604  -8.604
  150    H    CYS  23           HN       CYS  23   5.189  -7.651  -7.651
  151    HA   CYS  23           HA       CYS  23   4.263  -4.967  -4.967
  152   1HB   CYS  23           HB2      CYS  23   3.167  -6.416  -6.416
  153   2HB   CYS  23           HB1      CYS  23   4.666  -6.251  -6.251
  154    H    ASP  24           HN       ASP  24   7.282  -6.557  -6.557
  155    HA   ASP  24           HA       ASP  24   8.470  -4.334  -4.334
  156   1HB   ASP  24           HB2      ASP  24   9.371  -6.782  -6.782
  157   2HB   ASP  24           HB1      ASP  24   9.967  -6.367  -6.367
  158    H    THR  25           HN       THR  25   8.426  -5.417  -5.417
  159    HA   THR  25           HA       THR  25   9.629  -3.068  -3.068
  160    HB   THR  25           HB       THR  25   8.154  -3.641  -3.641
  161    HG1  THR  25           HG1      THR  25   6.971  -5.323  -5.323
  162   1HG2  THR  25          HG22      THR  25  10.485  -5.332  -5.332
  163   2HG2  THR  25          HG21      THR  25  10.016  -5.238  -5.238
  164   3HG2  THR  25          HG23      THR  25  10.650  -3.776  -3.776
  165    H    LEU  26           HN       LEU  26   6.115  -3.637  -3.637
  166    HA   LEU  26           HA       LEU  26   5.272  -1.235  -1.235
  167   1HB   LEU  26           HB2      LEU  26   4.048  -2.743  -2.743
  168   2HB   LEU  26           HB1      LEU  26   3.250  -1.403  -1.403
  169    HG   LEU  26           HG       LEU  26   4.021  -4.101  -4.101
  170   1HD1  LEU  26          HD11      LEU  26   2.216  -4.356  -4.356
  171   2HD1  LEU  26          HD13      LEU  26   1.277  -3.042  -3.042
  172   3HD1  LEU  26          HD12      LEU  26   1.584  -4.586  -4.586
  173   1HD2  LEU  26          HD23      LEU  26   2.406  -1.756  -1.756
  174   2HD2  LEU  26          HD22      LEU  26   4.026  -2.335  -2.335
  175   3HD2  LEU  26          HD21      LEU  26   2.590  -3.389  -3.389
  176    H    CYS  27           HN       CYS  27   6.241  -2.060  -2.060
  177    HA   CYS  27           HA       CYS  27   5.731   0.362   0.362
  178   1HB   CYS  27           HB2      CYS  27   6.414  -1.886  -1.886
  179   2HB   CYS  27           HB1      CYS  27   8.106  -1.480  -1.480
  180    H    LYS  28           HN       LYS  28   8.730  -0.772  -0.772
  181    HA   LYS  28           HA       LYS  28  10.162   1.569   1.569
  182   1HB   LYS  28           HB2      LYS  28  10.605  -0.523  -0.523
  183   2HB   LYS  28           HB1      LYS  28  11.715   0.861   0.861
  184   1HG   LYS  28           HG2      LYS  28  11.913   0.087   0.087
  185   2HG   LYS  28           HG1      LYS  28  11.028  -1.405  -1.405
  186   1HD   LYS  28           HD2      LYS  28  12.803  -2.004  -2.004
  187   2HD   LYS  28           HD1      LYS  28  13.637  -0.434  -0.434
  188   1HE   LYS  28           HE2      LYS  28  14.008  -1.111  -1.111
  189   2HE   LYS  28           HE1      LYS  28  13.224  -2.707  -2.707
  190   1HZ   LYS  28           HZ2      LYS  28  15.616  -1.644  -1.644
  191   2HZ   LYS  28           HZ1      LYS  28  15.634  -2.748  -2.748
  192   3HZ   LYS  28           HZ3      LYS  28  14.925  -3.185  -3.185
  193    H    GLU  29           HN       GLU  29   8.045   0.765   0.765
  194    HA   GLU  29           HA       GLU  29   9.010   3.065   3.065
  195   1HB   GLU  29           HB2      GLU  29   7.322   2.665   2.665
  196   2HB   GLU  29           HB1      GLU  29   8.201   1.153   1.153
  197   1HG   GLU  29           HG2      GLU  29   6.272   0.438   0.438
  198   2HG   GLU  29           HG1      GLU  29   5.369   1.929   1.929
  199    H    LYS  30           HN       LYS  30   6.492   2.548   2.548
  200    HA   LYS  30           HA       LYS  30   5.262   5.118   5.118
  201   1HB   LYS  30           HB2      LYS  30   4.828   3.157   3.157
  202   2HB   LYS  30           HB1      LYS  30   3.891   4.677   4.677
  203   1HG   LYS  30           HG2      LYS  30   3.981   2.289   2.289
  204   2HG   LYS  30           HG1      LYS  30   2.673   2.619   2.619
  205   1HD   LYS  30           HD2      LYS  30   2.094   4.738   4.738
  206   2HD   LYS  30           HD1      LYS  30   3.448   4.556   4.556
  207   1HE   LYS  30           HE2      LYS  30   1.032   2.643   2.643
  208   2HE   LYS  30           HE1      LYS  30   1.278   3.949   3.949
  209   1HZ   LYS  30           HZ3      LYS  30   3.306   2.824   2.824
  210   2HZ   LYS  30           HZ2      LYS  30   3.014   1.569   1.569
  211   3HZ   LYS  30           HZ1      LYS  30   1.941   1.846   1.846
  212    H    GLY  31           HN       GLY  31   7.571   3.632   3.632
  213   1HA   GLY  31           HA2      GLY  31   9.480   4.913   4.913
  214   2HA   GLY  31           HA1      GLY  31   8.482   6.408   6.408
  215    H    GLY  32           HN       GLY  32   8.048   3.090   3.090
  216   1HA   GLY  32           HA2      GLY  32   8.704   4.175   4.175
  217   2HA   GLY  32           HA1      GLY  32   7.685   2.711   2.711
  218    H    THR  33           HN       THR  33  10.371   2.903   2.903
  219    HA   THR  33           HA       THR  33  12.367   2.458   2.458
  220    HB   THR  33           HB       THR  33  12.414   1.689   1.689
  221    HG1  THR  33           HG1      THR  33  12.701   3.780   3.780
  222   1HG2  THR  33          HG22      THR  33  14.560   2.775   2.775
  223   2HG2  THR  33          HG21      THR  33  14.833   2.439   2.439
  224   3HG2  THR  33          HG23      THR  33  14.479   1.089   1.089
  225    H    SER  34           HN       SER  34  10.504   0.138   0.138
  226    HA   SER  34           HA       SER  34  10.514  -1.728  -1.728
  227   1HB   SER  34           HB2      SER  34  12.337  -2.377  -2.377
  228   2HB   SER  34           HB1      SER  34  11.562  -3.655  -3.655
  229    HG   SER  34           HG       SER  34  12.927  -1.590  -1.590
  230    H    GLY  35           HN       GLY  35   9.412  -3.800  -3.800
  231   1HA   GLY  35           HA2      GLY  35   7.818  -2.703  -2.703
  232   2HA   GLY  35           HA1      GLY  35   7.041  -2.685  -2.685
  233    H    HIS  36           HN       HIS  36   5.752  -4.629  -4.629
  234    HA   HIS  36           HA       HIS  36   6.933  -7.062  -7.062
  235   1HB   HIS  36           HB2      HIS  36   6.322  -6.554  -6.554
  236   2HB   HIS  36           HB1      HIS  36   6.768  -8.132  -8.132
  237    HD1  HIS  36           HD1      HIS  36   8.202  -5.023  -5.023
  238    HD2  HIS  36           HD2      HIS  36   9.589  -8.333  -8.333
  239    HE1  HIS  36           HE1      HIS  36  10.734  -5.018  -5.018
  240    HE2  HIS  36           HE2      HIS  36  11.531  -7.028  -7.028
  241    H    CYS  37           HN       CYS  37   4.993  -8.665  -8.665
  242    HA   CYS  37           HA       CYS  37   2.583  -7.293  -7.293
  243   1HB   CYS  37           HB2      CYS  37   3.006 -10.244 -10.244
  244   2HB   CYS  37           HB1      CYS  37   1.537  -9.549  -9.549
  245    H    GLY  38           HN       GLY  38   0.472  -7.754  -7.754
  246   1HA   GLY  38           HA2      GLY  38   0.826  -8.591  -8.591
  247   2HA   GLY  38           HA1      GLY  38   0.719  -6.768  -6.768
  248    H    PHE  39           HN       PHE  39  -1.533  -7.288  -7.288
  249    HA   PHE  39           HA       PHE  39  -3.507  -7.443  -7.443
  250   1HB   PHE  39           HB2      PHE  39  -2.837  -9.898  -9.898
  251   2HB   PHE  39           HB1      PHE  39  -3.737  -9.231  -9.231
  252    HD1  PHE  39           HD2      PHE  39  -5.735  -7.854  -7.854
  253    HD2  PHE  39           HD1      PHE  39  -4.421 -11.731 -11.731
  254    HE1  PHE  39           HE2      PHE  39  -7.748  -8.877  -8.877
  255    HE2  PHE  39           HE1      PHE  39  -6.433 -12.743 -12.743
  256    HZ   PHE  39           HZ       PHE  39  -8.113 -11.324 -11.324
  257    H    LYS  40           HN       LYS  40  -5.294  -6.152  -6.152
  258    HA   LYS  40           HA       LYS  40  -4.573  -5.801  -5.801
  259   1HB   LYS  40           HB2      LYS  40  -5.494  -3.437  -3.437
  260   2HB   LYS  40           HB1      LYS  40  -3.882  -3.615  -3.615
  261   1HG   LYS  40           HG2      LYS  40  -4.753  -3.556  -3.556
  262   2HG   LYS  40           HG1      LYS  40  -6.454  -3.709  -3.709
  263   1HD   LYS  40           HD2      LYS  40  -4.640  -1.295  -1.295
  264   2HD   LYS  40           HD1      LYS  40  -5.822  -1.400  -1.400
  265   1HE   LYS  40           HE2      LYS  40  -7.707  -1.701  -1.701
  266   2HE   LYS  40           HE1      LYS  40  -6.519  -1.510  -1.510
  267   1HZ   LYS  40           HZ1      LYS  40  -5.972   0.676   0.676
  268   2HZ   LYS  40           HZ3      LYS  40  -7.211   0.510   0.510
  269   3HZ   LYS  40           HZ2      LYS  40  -7.588   0.523   0.523
  270    H    VAL  41           HN       VAL  41  -6.240  -7.526  -7.526
  271    HA   VAL  41           HA       VAL  41  -8.189  -7.955  -7.955
  272    HB   VAL  41           HB       VAL  41  -9.448  -7.212  -7.212
  273   1HG1  VAL  41          HG13      VAL  41  -9.719  -9.606  -9.606
  274   2HG1  VAL  41          HG12      VAL  41 -10.695  -9.373  -9.373
  275   3HG1  VAL  41          HG11      VAL  41 -10.900  -8.252  -8.252
  276   1HG2  VAL  41          HG23      VAL  41  -7.490  -9.530  -9.530
  277   2HG2  VAL  41          HG22      VAL  41  -7.339  -8.224  -8.224
  278   3HG2  VAL  41          HG21      VAL  41  -8.614  -9.467  -9.467
  279    H    GLY  42           HN       GLY  42 -10.676  -6.389  -6.389
  280   1HA   GLY  42           HA2      GLY  42 -11.679  -4.418  -4.418
  281   2HA   GLY  42           HA1      GLY  42 -10.071  -3.675  -3.675
  282    H    HIS  43           HN       HIS  43  -9.220  -4.219  -4.219
  283    HA   HIS  43           HA       HIS  43 -11.393  -3.782  -3.782
  284   1HB   HIS  43           HB2      HIS  43  -8.389  -3.148  -3.148
  285   2HB   HIS  43           HB1      HIS  43  -9.354  -3.268  -3.268
  286    HD1  HIS  43           HD1      HIS  43  -9.457  -0.978  -0.978
  287    HD2  HIS  43           HD2      HIS  43 -10.080  -1.088  -1.088
  288    HE1  HIS  43           HE1      HIS  43  -9.938   1.386   1.386
  289    HE2  HIS  43           HE2      HIS  43 -10.236   1.301   1.301
  290    H    GLY  44           HN       GLY  44  -8.014  -5.398  -5.398
  291   1HA   GLY  44           HA2      GLY  44  -8.884  -7.855  -7.855
  292   2HA   GLY  44           HA1      GLY  44  -8.526  -6.870  -6.870
  293    H    LEU  45           HN       LEU  45  -6.607  -8.483  -8.483
  294    HA   LEU  45           HA       LEU  45  -4.576  -8.170  -8.170
  295   1HB   LEU  45           HB2      LEU  45  -5.051 -10.184 -10.184
  296   2HB   LEU  45           HB1      LEU  45  -4.284  -9.282  -9.282
  297    HG   LEU  45           HG       LEU  45  -2.819  -9.649  -9.649
  298   1HD1  LEU  45          HD11      LEU  45  -3.782 -11.894 -11.894
  299   2HD1  LEU  45          HD13      LEU  45  -3.012 -11.866 -11.866
  300   3HD1  LEU  45          HD12      LEU  45  -1.988 -11.897 -11.897
  301   1HD2  LEU  45          HD23      LEU  45  -1.678  -8.297  -8.297
  302   2HD2  LEU  45          HD22      LEU  45  -0.781  -9.795  -9.795
  303   3HD2  LEU  45          HD21      LEU  45  -1.754  -9.731  -9.731
  304    H    ALA  46           HN       ALA  46  -2.625  -6.759  -6.759
  305    HA   ALA  46           HA       ALA  46  -3.136  -4.540  -4.540
  306   1HB   ALA  46           HB3      ALA  46  -2.950  -4.435  -4.435
  307   2HB   ALA  46           HB2      ALA  46  -2.957  -2.981  -2.981
  308   3HB   ALA  46           HB1      ALA  46  -4.408  -4.041  -4.041
  309    H    CYS  47           HN       CYS  47  -0.882  -3.052  -3.052
  310    HA   CYS  47           HA       CYS  47   1.147  -5.196  -5.196
  311   1HB   CYS  47           HB2      CYS  47   0.852  -4.839  -4.839
  312   2HB   CYS  47           HB1      CYS  47   1.100  -3.103  -3.103
  313    H    TRP  48           HN       TRP  48   3.111  -4.265  -4.265
  314    HA   TRP  48           HA       TRP  48   2.460  -1.712  -1.712
  315   1HB   TRP  48           HB2      TRP  48   3.051  -3.570  -3.570
  316   2HB   TRP  48           HB1      TRP  48   4.565  -3.864  -3.864
  317    HD1  TRP  48           HD1      TRP  48   6.637  -2.195  -2.195
  318    HE1  TRP  48           HE1      TRP  48   7.004  -0.324  -0.324
  319    HE3  TRP  48           HE3      TRP  48   1.863  -1.835  -1.835
  320    HZ2  TRP  48           HZ2      TRP  48   5.440   1.056   1.056
  321    HZ3  TRP  48           HZ3      TRP  48   1.340  -0.210  -0.210
  322    HH2  TRP  48           HH2      TRP  48   3.108   1.233   1.233
  323    H    CYS  49           HN       CYS  49   4.127   0.054   0.054
  324    HA   CYS  49           HA       CYS  49   6.409  -0.624  -0.624
  325   1HB   CYS  49           HB2      CYS  49   4.324   1.521   1.521
  326   2HB   CYS  49           HB1      CYS  49   6.055   1.866   1.866
  327    H    ASN  50           HN       ASN  50   8.156   0.657   0.657
  328    HA   ASN  50           HA       ASN  50   7.379   2.178   2.178
  329   1HB   ASN  50           HB2      ASN  50   9.229   0.065   0.065
  330   2HB   ASN  50           HB1      ASN  50  10.300   1.489   1.489
  331   1HD2  ASN  50          HD21      ASN  50   9.901   2.452   2.452
  332   2HD2  ASN  50          HD22      ASN  50  10.615   2.828   2.828
  333    H    ALA  51           HN       ALA  51   7.535   4.323   4.323
  334    HA   ALA  51           HA       ALA  51   8.269   6.260   6.260
  335   1HB   ALA  51           HB1      ALA  51  10.633   5.463   5.463
  336   2HB   ALA  51           HB3      ALA  51  10.688   5.183   5.183
  337   3HB   ALA  51           HB2      ALA  51  10.454   6.846   6.846
  338    H    LEU  52           HN       LEU  52   6.267   6.358   6.358
  339    HA   LEU  52           HA       LEU  52   6.779   6.600   6.600
  340   1HB   LEU  52           HB2      LEU  52   4.165   6.296   6.296
  341   2HB   LEU  52           HB1      LEU  52   4.213   6.882   6.882
  342    HG   LEU  52           HG       LEU  52   5.486   4.222   4.222
  343   1HD1  LEU  52          HD13      LEU  52   2.603   4.705   4.705
  344   2HD1  LEU  52          HD12      LEU  52   3.411   3.103   3.103
  345   3HD1  LEU  52          HD11      LEU  52   3.109   4.046   4.046
  346   1HD2  LEU  52          HD23      LEU  52   6.151   5.265   5.265
  347   2HD2  LEU  52          HD22      LEU  52   5.348   3.678   3.678
  348   3HD2  LEU  52          HD21      LEU  52   4.439   5.192   5.192
  349    HA   PRO  53           HA       PRO  53   6.558  10.869  10.869
  350   1HB   PRO  53           HB2      PRO  53   6.355  11.610  11.610
  351   2HB   PRO  53           HB1      PRO  53   7.577  12.143  12.143
  352   1HG   PRO  53           HG1      PRO  53   8.167  10.318  10.318
  353   2HG   PRO  53           HG2      PRO  53   8.900  10.188  10.188
  354   1HD   PRO  53           HD1      PRO  53   6.498   8.620   8.620
  355   2HD   PRO  53           HD2      PRO  53   7.904   8.044   8.044
  356    H    ASP  54           HN       ASP  54   5.102  12.832  12.832
  357    HA   ASP  54           HA       ASP  54   2.494  12.013  12.013
  358   1HB   ASP  54           HB2      ASP  54   3.599  14.756  14.756
  359   2HB   ASP  54           HB1      ASP  54   1.945  14.489  14.489
  360    H    ASN  55           HN       ASN  55   3.953  12.216  12.216
  361    HA   ASN  55           HA       ASN  55   1.613  13.325  13.325
  362   1HB   ASN  55           HB2      ASN  55   2.741  12.981  12.981
  363   2HB   ASN  55           HB1      ASN  55   3.854  13.808  13.808
  364   1HD2  ASN  55          HD22      ASN  55   5.156  10.446  10.446
  365   2HD2  ASN  55          HD21      ASN  55   3.858  11.445  11.445
  366    H    VAL  56           HN       VAL  56   2.445  10.334  10.334
  367    HA   VAL  56           HA       VAL  56   1.010   8.801   8.801
  368    HB   VAL  56           HB       VAL  56   2.392   7.631   7.631
  369   1HG1  VAL  56          HG13      VAL  56   1.812   6.619   6.619
  370   2HG1  VAL  56          HG12      VAL  56   2.581   5.671   5.671
  371   3HG1  VAL  56          HG11      VAL  56   0.867   6.194   6.194
  372   1HG2  VAL  56          HG21      VAL  56   3.760   8.564   8.564
  373   2HG2  VAL  56          HG23      VAL  56   4.118   9.116   9.116
  374   3HG2  VAL  56          HG22      VAL  56   4.495   7.438   7.438
  375    H    GLY  57           HN       GLY  57  -1.090   7.975   7.975
  376   1HA   GLY  57           HA2      GLY  57  -1.966   8.730   8.730
  377   2HA   GLY  57           HA1      GLY  57  -3.002   8.536   8.536
  378    H    ILE  58           HN       ILE  58  -3.237   6.961   6.961
  379    HA   ILE  58           HA       ILE  58  -2.317   4.342   4.342
  380    HB   ILE  58           HB       ILE  58  -1.431   3.944   3.944
  381   1HG1  ILE  58          HG12      ILE  58  -1.571   7.011   7.011
  382   2HG1  ILE  58          HG11      ILE  58  -2.573   5.810   5.810
  383   1HG2  ILE  58          HG22      ILE  58  -0.026   4.512   4.512
  384   2HG2  ILE  58          HG21      ILE  58   0.063   6.211   6.211
  385   3HG2  ILE  58          HG23      ILE  58   0.762   4.878   4.878
  386   1HD1  ILE  58          HD12      ILE  58  -0.395   4.750   4.750
  387   2HD1  ILE  58          HD11      ILE  58   0.490   6.159   6.159
  388   3HD1  ILE  58          HD13      ILE  58  -0.727   6.423   6.423
  389    H    ILE  59           HN       ILE  59  -3.161   3.334   3.334
  390    HA   ILE  59           HA       ILE  59  -5.848   3.005   3.005
  391    HB   ILE  59           HB       ILE  59  -5.041   2.483   2.483
  392   1HG1  ILE  59          HG12      ILE  59  -3.152   1.522   1.522
  393   2HG1  ILE  59          HG11      ILE  59  -4.259   0.276   0.276
  394   1HG2  ILE  59          HG21      ILE  59  -6.949   1.173   1.173
  395   2HG2  ILE  59          HG23      ILE  59  -6.623   0.524   0.524
  396   3HG2  ILE  59          HG22      ILE  59  -7.397   2.130   2.130
  397   1HD1  ILE  59          HD11      ILE  59  -5.194   0.110   0.110
  398   2HD1  ILE  59          HD13      ILE  59  -3.657   0.955   0.955
  399   3HD1  ILE  59          HD12      ILE  59  -3.590  -0.624  -0.624
  400    H    VAL  60           HN       VAL  60  -7.659   4.080   4.080
  401    HA   VAL  60           HA       VAL  60  -7.663   5.832   5.832
  402    HB   VAL  60           HB       VAL  60  -8.684   6.349   6.349
  403   1HG1  VAL  60          HG11      VAL  60  -9.572   7.770   7.770
  404   2HG1  VAL  60          HG13      VAL  60  -9.890   8.350   8.350
  405   3HG1  VAL  60          HG12      VAL  60 -10.598   6.802   6.802
  406   1HG2  VAL  60          HG21      VAL  60  -6.912   8.006   8.006
  407   2HG2  VAL  60          HG23      VAL  60  -6.381   7.135   7.135
  408   3HG2  VAL  60          HG22      VAL  60  -7.494   8.546   8.546
  409    H    GLU  61           HN       GLU  61 -10.048   5.410   5.410
  410    HA   GLU  61           HA       GLU  61 -11.561   3.548   3.548
  411   1HB   GLU  61           HB2      GLU  61  -9.948   1.929   1.929
  412   2HB   GLU  61           HB1      GLU  61 -10.187   2.644   2.644
  413   1HG   GLU  61           HG2      GLU  61 -12.541   1.815   1.815
  414   2HG   GLU  61           HG1      GLU  61 -12.394   1.274   1.274
  415    H    GLY  62           HN       GLY  62 -13.628   3.615   3.615
  416   1HA   GLY  62           HA2      GLY  62 -14.817   5.022   5.022
  417   2HA   GLY  62           HA1      GLY  62 -13.837   6.365   6.365
  418    H    GLU  63           HN       GLU  63 -13.464   5.434   5.434
  419    HA   GLU  63           HA       GLU  63 -16.050   4.639   4.639
  420   1HB   GLU  63           HB2      GLU  63 -14.948   6.851   6.851
  421   2HB   GLU  63           HB1      GLU  63 -13.709   5.809   5.809
  422   1HG   GLU  63           HG2      GLU  63 -15.560   4.651   4.651
  423   2HG   GLU  63           HG1      GLU  63 -16.781   5.619   5.619
  424    H    LYS  64           HN       LYS  64 -13.767   3.821   3.821
  425    HA   LYS  64           HA       LYS  64 -12.294   1.880   1.880
  426   1HB   LYS  64           HB2      LYS  64 -14.730   0.790   0.790
  427   2HB   LYS  64           HB1      LYS  64 -14.604   0.701   0.701
  428   1HG   LYS  64           HG2      LYS  64 -12.559  -0.768  -0.768
  429   2HG   LYS  64           HG1      LYS  64 -12.598  -0.520  -0.520
  430   1HD   LYS  64           HD2      LYS  64 -14.835  -1.892  -1.892
  431   2HD   LYS  64           HD1      LYS  64 -13.477  -2.759  -2.759
  432   1HE   LYS  64           HE2      LYS  64 -15.578  -1.065  -1.065
  433   2HE   LYS  64           HE1      LYS  64 -15.551  -2.864  -2.864
  434   1HZ   LYS  64           HZ1      LYS  64 -13.396  -2.861  -2.861
  435   2HZ   LYS  64           HZ3      LYS  64 -13.459  -1.171  -1.171
  436   3HZ   LYS  64           HZ2      LYS  64 -14.600  -2.167  -2.167
  437    H    CYS  65           HN       CYS  65 -12.326   0.541   0.541
  438    HA   CYS  65           HA       CYS  65 -10.572   2.214   2.214
  439   1HB   CYS  65           HB2      CYS  65 -10.654  -0.287  -0.287
  440   2HB   CYS  65           HB1      CYS  65 -12.193  -0.125  -0.125
  441    H    HIS  66           HN       HIS  66 -10.594   3.641   3.641
  442    HA   HIS  66           HA       HIS  66 -13.000   3.548   3.548
  443   1HB   HIS  66           HB2      HIS  66 -13.654   5.800   5.800
  444   2HB   HIS  66           HB1      HIS  66 -13.557   5.323   5.323
  445    HD1  HIS  66           HD1      HIS  66 -10.743   5.939   5.939
  446    HD2  HIS  66           HD2      HIS  66 -12.760   8.330   8.330
  447    HE1  HIS  66           HE1      HIS  66  -9.550   8.176   8.176
  448    HE2  HIS  66           HE2      HIS  66 -10.819   9.594   9.594
  449    H    SER  67           HN       SER  67 -10.088   2.804   2.804
  450    HA   SER  67           HA       SER  67  -9.070   4.608   4.608
  451   1HB   SER  67           HB2      SER  67  -8.039   1.863   1.863
  452   2HB   SER  67           HB1      SER  67  -7.204   3.000   3.000
  453    HG   SER  67           HG       SER  67  -7.909   3.406   3.406
  454   1HN   NH2  68           H1       NH2  68 -11.167   4.319   4.319
  455   2HN   NH2  68           H2       NH2  68 -11.329   2.914   2.914

  Start of MODEL    7
    1   1H    VAL   1           HT3      VAL   1   7.475  11.464  11.464
    2   2H    VAL   1           HT2      VAL   1   7.902  12.262  12.262
    3   3H    VAL   1           HT1      VAL   1   6.301  12.329  12.329
    4    HA   VAL   1           HA       VAL   1   6.411  10.849  10.849
    5    HB   VAL   1           HB       VAL   1   7.751   8.768   8.768
    6   1HG1  VAL   1          HG12      VAL   1   8.636  10.826  10.826
    7   2HG1  VAL   1          HG11      VAL   1   9.484  11.295  11.295
    8   3HG1  VAL   1          HG13      VAL   1   9.947   9.789   9.789
    9   1HG2  VAL   1          HG23      VAL   1   8.936   9.853   9.853
   10   2HG2  VAL   1          HG22      VAL   1   7.929   8.370   8.370
   11   3HG2  VAL   1          HG21      VAL   1   9.558   8.454   8.454
   12    H    ARG   2           HN       ARG   2   5.456   8.475   8.475
   13    HA   ARG   2           HA       ARG   2   4.027   8.126   8.126
   14   1HB   ARG   2           HB2      ARG   2   3.283   6.794   6.794
   15   2HB   ARG   2           HB1      ARG   2   2.428   6.681   6.681
   16   1HG   ARG   2           HG2      ARG   2   1.061   8.046   8.046
   17   2HG   ARG   2           HG1      ARG   2   2.023   9.280   9.280
   18   1HD   ARG   2           HD2      ARG   2   3.134   9.978   9.978
   19   2HD   ARG   2           HD1      ARG   2   2.831   8.386   8.386
   20    HE   ARG   2           HE       ARG   2   0.740   9.091   9.091
   21   1HH1  ARG   2          HH11      ARG   2   1.818  11.337  11.337
   22   2HH1  ARG   2          HH12      ARG   2   0.539  12.467  12.467
   23   1HH2  ARG   2          HH21      ARG   2  -0.906  10.639  10.639
   24   2HH2  ARG   2          HH22      ARG   2  -1.040  12.068  12.068
   25    H    ASP   3           HN       ASP   3   3.879   5.828   5.828
   26    HA   ASP   3           HA       ASP   3   5.404   3.905   3.905
   27   1HB   ASP   3           HB2      ASP   3   5.270   4.089   4.089
   28   2HB   ASP   3           HB1      ASP   3   5.992   2.733   2.733
   29    H    GLY   4           HN       GLY   4   3.589   2.421   2.421
   30   1HA   GLY   4           HA2      GLY   4   1.503   2.201   2.201
   31   2HA   GLY   4           HA1      GLY   4   1.085   3.263   3.263
   32    H    TYR   5           HN       TYR   5  -0.432   1.153   1.153
   33    HA   TYR   5           HA       TYR   5   0.826  -0.902  -0.902
   34   1HB   TYR   5           HB2      TYR   5  -2.069  -0.221  -0.221
   35   2HB   TYR   5           HB1      TYR   5  -1.689  -1.431  -1.431
   36    HD1  TYR   5           HD1      TYR   5  -0.079  -3.348  -3.348
   37    HD2  TYR   5           HD2      TYR   5  -2.244  -0.950  -0.950
   38    HE1  TYR   5           HE1      TYR   5   0.004  -5.191  -5.191
   39    HE2  TYR   5           HE2      TYR   5  -2.196  -2.817  -2.817
   40    HH   TYR   5           HH       TYR   5  -2.123  -5.630  -5.630
   41    H    ILE   6           HN       ILE   6   0.708  -0.781  -0.781
   42    HA   ILE   6           HA       ILE   6   0.016   1.893   1.893
   43    HB   ILE   6           HB       ILE   6   2.326   1.167   1.167
   44   1HG1  ILE   6          HG12      ILE   6   0.478   1.522   1.522
   45   2HG1  ILE   6          HG11      ILE   6   1.151   2.816   2.816
   46   1HG2  ILE   6          HG22      ILE   6   0.948  -1.078  -1.078
   47   2HG2  ILE   6          HG21      ILE   6   2.690  -0.649  -0.649
   48   3HG2  ILE   6          HG23      ILE   6   2.006  -1.255  -1.255
   49   1HD1  ILE   6          HD13      ILE   6   3.501   1.981   1.981
   50   2HD1  ILE   6          HD12      ILE   6   2.638   0.987   0.987
   51   3HD1  ILE   6          HD11      ILE   6   2.479   2.782   2.782
   52    H    ALA   7           HN       ALA   7  -1.295   2.055   2.055
   53    HA   ALA   7           HA       ALA   7  -3.096  -0.111  -0.111
   54   1HB   ALA   7           HB2      ALA   7  -4.140   1.595   1.595
   55   2HB   ALA   7           HB1      ALA   7  -3.904   2.859   2.859
   56   3HB   ALA   7           HB3      ALA   7  -5.007   1.475   1.475
   57    H    GLN   8           HN       GLN   8  -4.563   0.953   0.953
   58    HA   GLN   8           HA       GLN   8  -2.821   2.410   2.410
   59   1HB   GLN   8           HB2      GLN   8  -5.704   1.349   1.349
   60   2HB   GLN   8           HB1      GLN   8  -4.856   2.247   2.247
   61   1HG   GLN   8           HG2      GLN   8  -3.220   0.501   0.501
   62   2HG   GLN   8           HG1      GLN   8  -3.661  -0.328  -0.328
   63   1HE2  GLN   8          HE22      GLN   8  -6.753  -1.730  -1.730
   64   2HE2  GLN   8          HE21      GLN   8  -5.824  -1.321  -1.321
   65    HA   PRO   9           HA       PRO   9  -3.858   5.778   5.778
   66   1HB   PRO   9           HB2      PRO   9  -4.558   7.409   7.409
   67   2HB   PRO   9           HB1      PRO   9  -3.411   7.862   7.862
   68   1HG   PRO   9           HG1      PRO   9  -2.440   6.839   6.839
   69   2HG   PRO   9           HG2      PRO   9  -1.798   6.189   6.189
   70   1HD   PRO   9           HD1      PRO   9  -3.941   4.953   4.953
   71   2HD   PRO   9           HD2      PRO   9  -2.520   4.180   4.180
   72    H    GLU  10           HN       GLU  10  -6.576   4.651   4.651
   73    HA   GLU  10           HA       GLU  10  -8.351   6.886   6.886
   74   1HB   GLU  10           HB2      GLU  10  -8.880   4.112   4.112
   75   2HB   GLU  10           HB1      GLU  10 -10.071   5.437   5.437
   76   1HG   GLU  10           HG2      GLU  10  -9.353   5.466   5.466
   77   2HG   GLU  10           HG1      GLU  10  -8.601   6.900   6.900
   78    H    ASN  11           HN       ASN  11  -6.976   5.079   5.079
   79    HA   ASN  11           HA       ASN  11  -7.282   4.216   4.216
   80   1HB   ASN  11           HB2      ASN  11  -8.906   6.102   6.102
   81   2HB   ASN  11           HB1      ASN  11 -10.248   5.003   5.003
   82   1HD2  ASN  11          HD22      ASN  11 -10.341   4.007   4.007
   83   2HD2  ASN  11          HD21      ASN  11 -11.176   4.770   4.770
   84    H    CYS  12           HN       CYS  12  -6.917   2.366   2.366
   85    HA   CYS  12           HA       CYS  12  -9.131   0.401   0.401
   86   1HB   CYS  12           HB2      CYS  12  -7.212   0.727   0.727
   87   2HB   CYS  12           HB1      CYS  12  -8.386  -0.625  -0.625
   88    H    VAL  13           HN       VAL  13  -6.861  -1.329  -1.329
   89    HA   VAL  13           HA       VAL  13  -4.824  -1.049  -1.049
   90    HB   VAL  13           HB       VAL  13  -4.606  -3.671  -3.671
   91   1HG1  VAL  13          HG12      VAL  13  -6.432  -1.948  -1.948
   92   2HG1  VAL  13          HG11      VAL  13  -5.890  -3.614  -3.614
   93   3HG1  VAL  13          HG13      VAL  13  -4.692  -2.274  -2.274
   94   1HG2  VAL  13          HG22      VAL  13  -6.609  -4.140  -4.140
   95   2HG2  VAL  13          HG21      VAL  13  -6.722  -4.859  -4.859
   96   3HG2  VAL  13          HG23      VAL  13  -7.672  -3.380  -3.380
   97    H    TYR  14           HN       TYR  14  -3.085  -2.706  -2.706
   98    HA   TYR  14           HA       TYR  14  -3.152  -2.674  -2.674
   99   1HB   TYR  14           HB2      TYR  14  -1.315  -1.136  -1.136
  100   2HB   TYR  14           HB1      TYR  14  -0.443  -2.519  -2.519
  101    HD1  TYR  14           HD1      TYR  14  -2.025  -2.451  -2.451
  102    HD2  TYR  14           HD2      TYR  14   0.544   0.066   0.066
  103    HE1  TYR  14           HE1      TYR  14  -1.219  -1.375  -1.375
  104    HE2  TYR  14           HE2      TYR  14   1.394   1.112   1.112
  105    HH   TYR  14           HH       TYR  14   0.112   0.285   0.285
  106    H    HIS  15           HN       HIS  15  -2.270  -4.992  -4.992
  107    HA   HIS  15           HA       HIS  15  -2.698  -6.461  -6.461
  108   1HB   HIS  15           HB2      HIS  15  -2.601  -7.343  -7.343
  109   2HB   HIS  15           HB1      HIS  15  -2.643  -8.495  -8.495
  110    HD1  HIS  15           HD1      HIS  15  -4.833  -5.616  -5.616
  111    HD2  HIS  15           HD2      HIS  15  -5.049  -9.087  -9.087
  112    HE1  HIS  15           HE1      HIS  15  -7.256  -5.923  -5.923
  113    HE2  HIS  15           HE2      HIS  15  -7.340  -8.009  -8.009
  114    H    CYS  16           HN       CYS  16  -1.054  -8.719  -8.719
  115    HA   CYS  16           HA       CYS  16   1.585  -7.811  -7.811
  116   1HB   CYS  16           HB2      CYS  16   0.712  -7.024  -7.024
  117   2HB   CYS  16           HB1      CYS  16   0.226  -8.706  -8.706
  118    H    PHE  17           HN       PHE  17   2.598 -10.242 -10.242
  119    HA   PHE  17           HA       PHE  17   0.783 -12.283 -12.283
  120   1HB   PHE  17           HB2      PHE  17   3.646 -11.822 -11.822
  121   2HB   PHE  17           HB1      PHE  17   2.511 -13.154 -13.154
  122    HD1  PHE  17           HD1      PHE  17   0.205 -12.428 -12.428
  123    HD2  PHE  17           HD2      PHE  17   3.557  -9.742  -9.742
  124    HE1  PHE  17           HE1      PHE  17  -0.813 -10.948 -10.948
  125    HE2  PHE  17           HE2      PHE  17   2.501  -8.240  -8.240
  126    HZ   PHE  17           HZ       PHE  17   0.319  -8.842  -8.842
  127    HA   PRO  18           HA       PRO  18   3.547 -13.064 -13.064
  128   1HB   PRO  18           HB2      PRO  18   3.101 -15.803 -15.803
  129   2HB   PRO  18           HB1      PRO  18   1.933 -14.516 -14.516
  130   1HG   PRO  18           HG1      PRO  18   1.943 -16.192 -16.192
  131   2HG   PRO  18           HG2      PRO  18   0.553 -15.891 -15.891
  132   1HD   PRO  18           HD1      PRO  18   0.872 -14.392 -14.392
  133   2HD   PRO  18           HD2      PRO  18   0.365 -13.582 -13.582
  134    H    GLY  19           HN       GLY  19   5.048 -12.567 -12.567
  135   1HA   GLY  19           HA2      GLY  19   7.365 -13.904 -13.904
  136   2HA   GLY  19           HA1      GLY  19   6.265 -14.704 -14.704
  137    H    SER  20           HN       SER  20   6.878 -11.462 -11.462
  138    HA   SER  20           HA       SER  20   5.248 -10.304 -10.304
  139   1HB   SER  20           HB2      SER  20   6.949  -8.881  -8.881
  140   2HB   SER  20           HB1      SER  20   5.294  -8.460  -8.460
  141    HG   SER  20           HG       SER  20   4.597 -10.469 -10.469
  142    H    SER  21           HN       SER  21   7.383 -11.168 -11.168
  143    HA   SER  21           HA       SER  21   9.390  -9.196  -9.196
  144   1HB   SER  21           HB2      SER  21   9.656 -10.513 -10.513
  145   2HB   SER  21           HB1      SER  21   9.972 -11.385 -11.385
  146    HG   SER  21           HG       SER  21   8.623 -12.574 -12.574
  147    H    GLY  22           HN       GLY  22   6.262  -9.901  -9.901
  148   1HA   GLY  22           HA2      GLY  22   6.397  -7.897  -7.897
  149   2HA   GLY  22           HA1      GLY  22   4.902  -8.640  -8.640
  150    H    CYS  23           HN       CYS  23   5.395  -7.793  -7.793
  151    HA   CYS  23           HA       CYS  23   4.365  -5.131  -5.131
  152   1HB   CYS  23           HB2      CYS  23   3.523  -6.574  -6.574
  153   2HB   CYS  23           HB1      CYS  23   5.155  -6.474  -6.474
  154    H    ASP  24           HN       ASP  24   7.563  -6.628  -6.628
  155    HA   ASP  24           HA       ASP  24   8.746  -4.370  -4.370
  156   1HB   ASP  24           HB2      ASP  24   9.793  -6.683  -6.683
  157   2HB   ASP  24           HB1      ASP  24  10.150  -6.411  -6.411
  158    H    THR  25           HN       THR  25   8.392  -5.312  -5.312
  159    HA   THR  25           HA       THR  25   9.534  -2.981  -2.981
  160    HB   THR  25           HB       THR  25   7.584  -3.524  -3.524
  161    HG1  THR  25           HG1      THR  25   6.809  -5.323  -5.323
  162   1HG2  THR  25          HG22      THR  25  10.073  -3.400  -3.400
  163   2HG2  THR  25          HG21      THR  25  10.272  -4.999  -4.999
  164   3HG2  THR  25          HG23      THR  25   9.395  -4.882  -4.882
  165    H    LEU  26           HN       LEU  26   6.049  -3.518  -3.518
  166    HA   LEU  26           HA       LEU  26   5.205  -1.014  -1.014
  167   1HB   LEU  26           HB2      LEU  26   4.047  -2.725  -2.725
  168   2HB   LEU  26           HB1      LEU  26   3.215  -1.324  -1.324
  169    HG   LEU  26           HG       LEU  26   3.971  -3.930  -3.930
  170   1HD1  LEU  26          HD11      LEU  26   1.261  -2.940  -2.940
  171   2HD1  LEU  26          HD13      LEU  26   1.516  -4.398  -4.398
  172   3HD1  LEU  26          HD12      LEU  26   2.238  -4.322  -4.322
  173   1HD2  LEU  26          HD22      LEU  26   2.351  -1.485  -1.485
  174   2HD2  LEU  26          HD21      LEU  26   3.923  -2.075  -2.075
  175   3HD2  LEU  26          HD23      LEU  26   2.441  -3.071  -3.071
  176    H    CYS  27           HN       CYS  27   6.308  -2.149  -2.149
  177    HA   CYS  27           HA       CYS  27   5.810   0.172   0.172
  178   1HB   CYS  27           HB2      CYS  27   6.409  -2.197  -2.197
  179   2HB   CYS  27           HB1      CYS  27   8.120  -1.807  -1.807
  180    H    LYS  28           HN       LYS  28   8.753  -0.913  -0.913
  181    HA   LYS  28           HA       LYS  28  10.262   1.311   1.311
  182   1HB   LYS  28           HB2      LYS  28  10.537  -0.550  -0.550
  183   2HB   LYS  28           HB1      LYS  28  11.713   0.768   0.768
  184   1HG   LYS  28           HG2      LYS  28  11.058  -1.440  -1.440
  185   2HG   LYS  28           HG1      LYS  28  12.389  -1.563  -1.563
  186   1HD   LYS  28           HD2      LYS  28  13.567   0.337   0.337
  187   2HD   LYS  28           HD1      LYS  28  12.182   0.757   0.757
  188   1HE   LYS  28           HE2      LYS  28  13.824  -1.853  -1.853
  189   2HE   LYS  28           HE1      LYS  28  13.994  -0.372  -0.372
  190   1HZ   LYS  28           HZ1      LYS  28  11.609  -0.649  -0.649
  191   2HZ   LYS  28           HZ3      LYS  28  11.636  -2.155  -2.155
  192   3HZ   LYS  28           HZ2      LYS  28  12.623  -1.887  -1.887
  193    H    GLU  29           HN       GLU  29   8.178   0.815   0.815
  194    HA   GLU  29           HA       GLU  29   9.079   3.249   3.249
  195   1HB   GLU  29           HB2      GLU  29   7.360   3.017   3.017
  196   2HB   GLU  29           HB1      GLU  29   8.202   1.456   1.456
  197   1HG   GLU  29           HG2      GLU  29   6.253   0.715   0.715
  198   2HG   GLU  29           HG1      GLU  29   5.394   2.252   2.252
  199    H    LYS  30           HN       LYS  30   6.684   2.604   2.604
  200    HA   LYS  30           HA       LYS  30   5.437   5.216   5.216
  201   1HB   LYS  30           HB2      LYS  30   5.121   2.967   2.967
  202   2HB   LYS  30           HB1      LYS  30   4.259   4.536   4.536
  203   1HG   LYS  30           HG2      LYS  30   4.009   2.718   2.718
  204   2HG   LYS  30           HG1      LYS  30   2.940   2.613   2.613
  205   1HD   LYS  30           HD2      LYS  30   2.330   5.043   5.043
  206   2HD   LYS  30           HD1      LYS  30   3.285   5.090   5.090
  207   1HE   LYS  30           HE2      LYS  30   1.771   3.339   3.339
  208   2HE   LYS  30           HE1      LYS  30   0.834   3.274   3.274
  209   1HZ   LYS  30           HZ2      LYS  30   1.168   5.676   5.676
  210   2HZ   LYS  30           HZ1      LYS  30  -0.197   4.665   4.665
  211   3HZ   LYS  30           HZ3      LYS  30   0.258   5.565   5.565
  212    H    GLY  31           HN       GLY  31   8.185   3.830   3.830
  213   1HA   GLY  31           HA2      GLY  31   9.865   5.207   5.207
  214   2HA   GLY  31           HA1      GLY  31   8.690   6.451   6.451
  215    H    GLY  32           HN       GLY  32   8.279   2.981   2.981
  216   1HA   GLY  32           HA2      GLY  32   8.852   3.588   3.588
  217   2HA   GLY  32           HA1      GLY  32   8.005   2.164   2.164
  218    H    THR  33           HN       THR  33  10.866   3.015   3.015
  219    HA   THR  33           HA       THR  33  12.615   1.750   1.750
  220    HB   THR  33           HB       THR  33  14.341   2.670   2.670
  221    HG1  THR  33           HG1      THR  33  13.514   4.176   4.176
  222   1HG2  THR  33          HG23      THR  33  13.724   3.759   3.759
  223   2HG2  THR  33          HG22      THR  33  12.330   4.586   4.586
  224   3HG2  THR  33          HG21      THR  33  14.016   4.998   4.998
  225    H    SER  34           HN       SER  34  10.619   0.701   0.701
  226    HA   SER  34           HA       SER  34  11.861  -1.772  -1.772
  227   1HB   SER  34           HB2      SER  34  11.867  -1.838  -1.838
  228   2HB   SER  34           HB1      SER  34  13.318  -1.181  -1.181
  229    HG   SER  34           HG       SER  34  12.562   0.873   0.873
  230    H    GLY  35           HN       GLY  35   9.977  -3.117  -3.117
  231   1HA   GLY  35           HA2      GLY  35   7.603  -1.814  -1.814
  232   2HA   GLY  35           HA1      GLY  35   7.741  -2.557  -2.557
  233    H    HIS  36           HN       HIS  36   5.960  -4.053  -4.053
  234    HA   HIS  36           HA       HIS  36   7.250  -6.349  -6.349
  235   1HB   HIS  36           HB2      HIS  36   5.316  -4.938  -4.938
  236   2HB   HIS  36           HB1      HIS  36   6.102  -6.534  -6.534
  237    HD1  HIS  36           HD1      HIS  36   8.912  -6.254  -6.254
  238    HD2  HIS  36           HD2      HIS  36   6.598  -2.890  -2.890
  239    HE1  HIS  36           HE1      HIS  36  10.411  -4.639  -4.639
  240    HE2  HIS  36           HE2      HIS  36   8.984  -2.611  -2.611
  241    H    CYS  37           HN       CYS  37   4.463  -7.239  -7.239
  242    HA   CYS  37           HA       CYS  37   2.810  -6.846  -6.846
  243   1HB   CYS  37           HB2      CYS  37   4.549  -8.809  -8.809
  244   2HB   CYS  37           HB1      CYS  37   3.788  -9.667  -9.667
  245    H    GLY  38           HN       GLY  38   0.587  -7.950  -7.950
  246   1HA   GLY  38           HA2      GLY  38   0.362  -9.099  -9.099
  247   2HA   GLY  38           HA1      GLY  38   0.347  -7.298  -7.298
  248    H    PHE  39           HN       PHE  39  -2.068  -7.483  -7.483
  249    HA   PHE  39           HA       PHE  39  -3.609  -7.616  -7.616
  250   1HB   PHE  39           HB2      PHE  39  -3.691  -9.838  -9.838
  251   2HB   PHE  39           HB1      PHE  39  -4.541  -8.810  -8.810
  252    HD1  PHE  39           HD1      PHE  39  -6.801  -7.832  -7.832
  253    HD2  PHE  39           HD2      PHE  39  -4.783 -10.748 -10.748
  254    HE1  PHE  39           HE1      PHE  39  -8.935  -8.387  -8.387
  255    HE2  PHE  39           HE2      PHE  39  -6.911 -11.322 -11.322
  256    HZ   PHE  39           HZ       PHE  39  -9.001 -10.144 -10.144
  257    H    LYS  40           HN       LYS  40  -5.243  -5.919  -5.919
  258    HA   LYS  40           HA       LYS  40  -5.077  -4.339  -4.339
  259   1HB   LYS  40           HB2      LYS  40  -4.128  -2.980  -2.980
  260   2HB   LYS  40           HB1      LYS  40  -5.557  -3.385  -3.385
  261   1HG   LYS  40           HG2      LYS  40  -5.717  -1.106  -1.106
  262   2HG   LYS  40           HG1      LYS  40  -7.048  -2.101  -2.101
  263   1HD   LYS  40           HD2      LYS  40  -4.686  -2.114  -2.114
  264   2HD   LYS  40           HD1      LYS  40  -5.174  -0.446  -0.446
  265   1HE   LYS  40           HE2      LYS  40  -7.067  -2.610  -2.610
  266   2HE   LYS  40           HE1      LYS  40  -6.295  -1.264  -1.264
  267   1HZ   LYS  40           HZ3      LYS  40  -7.463   0.295   0.295
  268   2HZ   LYS  40           HZ2      LYS  40  -8.218  -0.984  -0.984
  269   3HZ   LYS  40           HZ1      LYS  40  -8.525  -0.739  -0.739
  270    H    VAL  41           HN       VAL  41  -6.864  -5.088  -5.088
  271    HA   VAL  41           HA       VAL  41  -8.502  -6.860  -6.860
  272    HB   VAL  41           HB       VAL  41  -9.486  -4.876  -4.876
  273   1HG1  VAL  41          HG13      VAL  41  -9.753  -7.926  -7.926
  274   2HG1  VAL  41          HG12      VAL  41 -10.427  -7.016  -7.016
  275   3HG1  VAL  41          HG11      VAL  41 -11.058  -6.707  -6.707
  276   1HG2  VAL  41          HG22      VAL  41  -7.325  -7.079  -7.079
  277   2HG2  VAL  41          HG21      VAL  41  -7.111  -5.306  -5.306
  278   3HG2  VAL  41          HG23      VAL  41  -8.154  -6.287  -6.287
  279    H    GLY  42           HN       GLY  42  -9.830  -3.859  -3.859
  280   1HA   GLY  42           HA2      GLY  42 -12.151  -4.257  -4.257
  281   2HA   GLY  42           HA1      GLY  42 -11.661  -2.727  -2.727
  282    H    HIS  43           HN       HIS  43 -10.190  -4.771  -4.771
  283    HA   HIS  43           HA       HIS  43 -10.883  -3.127  -3.127
  284   1HB   HIS  43           HB2      HIS  43  -7.970  -2.844  -2.844
  285   2HB   HIS  43           HB1      HIS  43  -8.438  -2.679  -2.679
  286    HD1  HIS  43           HD1      HIS  43 -10.632  -0.909  -0.909
  287    HD2  HIS  43           HD2      HIS  43  -7.667  -0.225  -0.225
  288    HE1  HIS  43           HE1      HIS  43 -10.583   1.585   1.585
  289    HE2  HIS  43           HE2      HIS  43  -8.778   1.953   1.953
  290    H    GLY  44           HN       GLY  44  -8.086  -5.260  -5.260
  291   1HA   GLY  44           HA2      GLY  44  -8.816  -7.574  -7.574
  292   2HA   GLY  44           HA1      GLY  44  -8.466  -6.803  -6.803
  293    H    LEU  45           HN       LEU  45  -6.735  -8.232  -8.232
  294    HA   LEU  45           HA       LEU  45  -4.485  -8.436  -8.436
  295   1HB   LEU  45           HB2      LEU  45  -5.165 -10.229 -10.229
  296   2HB   LEU  45           HB1      LEU  45  -4.991  -9.046  -9.046
  297    HG   LEU  45           HG       LEU  45  -2.512  -8.930  -8.930
  298   1HD1  LEU  45          HD12      LEU  45  -2.450  -9.688  -9.688
  299   2HD1  LEU  45          HD11      LEU  45  -2.986 -11.335 -11.335
  300   3HD1  LEU  45          HD13      LEU  45  -1.400 -10.685 -10.685
  301   1HD2  LEU  45          HD21      LEU  45  -3.712 -11.704 -11.704
  302   2HD2  LEU  45          HD23      LEU  45  -3.423 -10.357 -10.357
  303   3HD2  LEU  45          HD22      LEU  45  -2.034 -11.183 -11.183
  304    H    ALA  46           HN       ALA  46  -2.587  -6.991  -6.991
  305    HA   ALA  46           HA       ALA  46  -2.991  -4.677  -4.677
  306   1HB   ALA  46           HB2      ALA  46  -4.068  -4.228  -4.228
  307   2HB   ALA  46           HB1      ALA  46  -2.486  -4.547  -4.547
  308   3HB   ALA  46           HB3      ALA  46  -2.675  -3.144  -3.144
  309    H    CYS  47           HN       CYS  47  -0.697  -3.246  -3.246
  310    HA   CYS  47           HA       CYS  47   1.328  -5.338  -5.338
  311   1HB   CYS  47           HB2      CYS  47   1.153  -4.979  -4.979
  312   2HB   CYS  47           HB1      CYS  47   1.555  -3.270  -3.270
  313    H    TRP  48           HN       TRP  48   3.459  -3.912  -3.912
  314    HA   TRP  48           HA       TRP  48   2.483  -1.481  -1.481
  315   1HB   TRP  48           HB2      TRP  48   2.644  -3.284  -3.284
  316   2HB   TRP  48           HB1      TRP  48   4.296  -3.645  -3.645
  317    HD1  TRP  48           HD1      TRP  48   6.164  -1.485  -1.485
  318    HE1  TRP  48           HE1      TRP  48   6.315   0.120   0.120
  319    HE3  TRP  48           HE3      TRP  48   1.481  -2.244  -2.244
  320    HZ2  TRP  48           HZ2      TRP  48   4.617   0.890   0.890
  321    HZ3  TRP  48           HZ3      TRP  48   0.797  -1.058  -1.058
  322    HH2  TRP  48           HH2      TRP  48   2.339   0.491   0.491
  323    H    CYS  49           HN       CYS  49   4.163   0.149   0.149
  324    HA   CYS  49           HA       CYS  49   6.578  -0.483  -0.483
  325   1HB   CYS  49           HB2      CYS  49   4.522   1.618   1.618
  326   2HB   CYS  49           HB1      CYS  49   6.276   1.818   1.818
  327    H    ASN  50           HN       ASN  50   8.174   1.063   1.063
  328    HA   ASN  50           HA       ASN  50   7.226   2.506   2.506
  329   1HB   ASN  50           HB2      ASN  50   8.946   0.232   0.232
  330   2HB   ASN  50           HB1      ASN  50  10.106   1.585   1.585
  331   1HD2  ASN  50          HD21      ASN  50   9.742   2.013   2.013
  332   2HD2  ASN  50          HD22      ASN  50  10.721   2.182   2.182
  333    H    ALA  51           HN       ALA  51   7.928   4.617   4.617
  334    HA   ALA  51           HA       ALA  51   8.850   6.469   6.469
  335   1HB   ALA  51           HB3      ALA  51  11.097   5.423   5.423
  336   2HB   ALA  51           HB2      ALA  51  11.038   5.029   5.029
  337   3HB   ALA  51           HB1      ALA  51  11.063   6.749   6.749
  338    H    LEU  52           HN       LEU  52   6.648   6.050   6.050
  339    HA   LEU  52           HA       LEU  52   7.164   6.459   6.459
  340   1HB   LEU  52           HB2      LEU  52   4.586   6.104   6.104
  341   2HB   LEU  52           HB1      LEU  52   4.529   6.825   6.825
  342    HG   LEU  52           HG       LEU  52   5.737   4.068   4.068
  343   1HD1  LEU  52          HD11      LEU  52   2.901   4.860   4.860
  344   2HD1  LEU  52          HD13      LEU  52   3.570   3.194   3.194
  345   3HD1  LEU  52          HD12      LEU  52   3.348   4.011   4.011
  346   1HD2  LEU  52          HD22      LEU  52   6.542   5.157   5.157
  347   2HD2  LEU  52          HD21      LEU  52   5.497   3.746   3.746
  348   3HD2  LEU  52          HD23      LEU  52   4.844   5.411   5.411
  349    HA   PRO  53           HA       PRO  53   6.942  10.763  10.763
  350   1HB   PRO  53           HB2      PRO  53   6.849  12.005  12.005
  351   2HB   PRO  53           HB1      PRO  53   8.322  11.172  11.172
  352   1HG   PRO  53           HG1      PRO  53   6.220  10.066  10.066
  353   2HG   PRO  53           HG2      PRO  53   8.020   9.989   9.989
  354   1HD   PRO  53           HD1      PRO  53   6.423   7.915   7.915
  355   2HD   PRO  53           HD2      PRO  53   8.130   8.186   8.186
  356    H    ASP  54           HN       ASP  54   5.464  12.746  12.746
  357    HA   ASP  54           HA       ASP  54   2.992  11.777  11.777
  358   1HB   ASP  54           HB2      ASP  54   3.932  14.623  14.623
  359   2HB   ASP  54           HB1      ASP  54   2.449  14.213  14.213
  360    H    ASN  55           HN       ASN  55   3.967  12.276  12.276
  361    HA   ASN  55           HA       ASN  55   1.424  13.362  13.362
  362   1HB   ASN  55           HB2      ASN  55   2.491  13.332  13.332
  363   2HB   ASN  55           HB1      ASN  55   3.433  14.281  14.281
  364   1HD2  ASN  55          HD21      ASN  55   5.267  11.167  11.167
  365   2HD2  ASN  55          HD22      ASN  55   3.713  11.775  11.775
  366    H    VAL  56           HN       VAL  56   2.369  10.364  10.364
  367    HA   VAL  56           HA       VAL  56   1.072   8.944   8.944
  368    HB   VAL  56           HB       VAL  56   2.508   7.685   7.685
  369   1HG1  VAL  56          HG13      VAL  56   1.849   6.711   6.711
  370   2HG1  VAL  56          HG12      VAL  56   2.716   5.769   5.769
  371   3HG1  VAL  56          HG11      VAL  56   0.995   6.217   6.217
  372   1HG2  VAL  56          HG23      VAL  56   3.747   8.726   8.726
  373   2HG2  VAL  56          HG22      VAL  56   4.169   9.204   9.204
  374   3HG2  VAL  56          HG21      VAL  56   4.547   7.554   7.554
  375    H    GLY  57           HN       GLY  57  -0.970   7.855   7.855
  376   1HA   GLY  57           HA2      GLY  57  -1.969   8.611   8.611
  377   2HA   GLY  57           HA1      GLY  57  -2.957   8.422   8.422
  378    H    ILE  58           HN       ILE  58  -3.057   6.855   6.855
  379    HA   ILE  58           HA       ILE  58  -2.343   4.198   4.198
  380    HB   ILE  58           HB       ILE  58  -1.220   3.702   3.702
  381   1HG1  ILE  58          HG12      ILE  58  -1.147   6.765   6.765
  382   2HG1  ILE  58          HG11      ILE  58  -2.113   5.614   5.614
  383   1HG2  ILE  58          HG22      ILE  58  -0.085   4.311   4.311
  384   2HG2  ILE  58          HG21      ILE  58   0.205   5.951   5.951
  385   3HG2  ILE  58          HG23      ILE  58   0.916   4.497   4.497
  386   1HD1  ILE  58          HD13      ILE  58   0.053   4.386   4.386
  387   2HD1  ILE  58          HD12      ILE  58   0.965   5.726   5.726
  388   3HD1  ILE  58          HD11      ILE  58  -0.066   6.066   6.066
  389    H    ILE  59           HN       ILE  59  -2.923   3.377   3.377
  390    HA   ILE  59           HA       ILE  59  -5.741   3.273   3.273
  391    HB   ILE  59           HB       ILE  59  -4.108   2.682   2.682
  392   1HG1  ILE  59          HG12      ILE  59  -3.009   1.434   1.434
  393   2HG1  ILE  59          HG11      ILE  59  -3.988   0.339   0.339
  394   1HG2  ILE  59          HG22      ILE  59  -6.854   1.728   1.728
  395   2HG2  ILE  59          HG21      ILE  59  -6.041   1.116   1.116
  396   3HG2  ILE  59          HG23      ILE  59  -6.546   2.833   2.833
  397   1HD1  ILE  59          HD13      ILE  59  -5.120   1.241   1.241
  398   2HD1  ILE  59          HD12      ILE  59  -3.821   0.002   0.002
  399   3HD1  ILE  59          HD11      ILE  59  -5.392  -0.286  -0.286
  400    H    VAL  60           HN       VAL  60  -7.119   4.780   4.780
  401    HA   VAL  60           HA       VAL  60  -6.041   7.114   7.114
  402    HB   VAL  60           HB       VAL  60  -7.227   6.647   6.647
  403   1HG1  VAL  60          HG13      VAL  60  -9.514   6.707   6.707
  404   2HG1  VAL  60          HG12      VAL  60  -9.183   8.387   8.387
  405   3HG1  VAL  60          HG11      VAL  60  -9.233   8.008   8.008
  406   1HG2  VAL  60          HG22      VAL  60  -5.498   8.309   8.309
  407   2HG2  VAL  60          HG21      VAL  60  -6.902   9.066   9.066
  408   3HG2  VAL  60          HG23      VAL  60  -6.686   9.305   9.305
  409    H    GLU  61           HN       GLU  61  -8.187   4.656   4.656
  410    HA   GLU  61           HA       GLU  61  -8.874   4.815   4.815
  411   1HB   GLU  61           HB2      GLU  61 -10.421   6.873   6.873
  412   2HB   GLU  61           HB1      GLU  61 -11.337   5.636   5.636
  413   1HG   GLU  61           HG2      GLU  61 -12.506   6.136   6.136
  414   2HG   GLU  61           HG1      GLU  61 -11.821   4.489   4.489
  415    H    GLY  62           HN       GLY  62 -11.351   3.190   3.190
  416   1HA   GLY  62           HA2      GLY  62 -10.898   1.783   1.783
  417   2HA   GLY  62           HA1      GLY  62 -11.248   0.907   0.907
  418    H    GLU  63           HN       GLU  63 -12.889   2.311   2.311
  419    HA   GLU  63           HA       GLU  63 -15.123   3.131   3.131
  420   1HB   GLU  63           HB2      GLU  63 -13.628   5.123   5.123
  421   2HB   GLU  63           HB1      GLU  63 -13.355   5.292   5.292
  422   1HG   GLU  63           HG2      GLU  63 -14.968   6.978   6.978
  423   2HG   GLU  63           HG1      GLU  63 -15.795   5.844   5.844
  424    H    LYS  64           HN       LYS  64 -13.308   3.805   3.805
  425    HA   LYS  64           HA       LYS  64 -15.411   2.645   2.645
  426   1HB   LYS  64           HB2      LYS  64 -16.201   5.092   5.092
  427   2HB   LYS  64           HB1      LYS  64 -14.617   5.652   5.652
  428   1HG   LYS  64           HG2      LYS  64 -16.330   5.987   5.987
  429   2HG   LYS  64           HG1      LYS  64 -15.210   4.725   4.725
  430   1HD   LYS  64           HD2      LYS  64 -16.893   2.957   2.957
  431   2HD   LYS  64           HD1      LYS  64 -18.022   4.283   4.283
  432   1HE   LYS  64           HE2      LYS  64 -16.916   3.648   3.648
  433   2HE   LYS  64           HE1      LYS  64 -18.592   3.332   3.332
  434   1HZ   LYS  64           HZ3      LYS  64 -17.301   5.995   5.995
  435   2HZ   LYS  64           HZ2      LYS  64 -18.449   5.307   5.307
  436   3HZ   LYS  64           HZ1      LYS  64 -18.881   5.700   5.700
  437    H    CYS  65           HN       CYS  65 -14.408   2.618   2.618
  438    HA   CYS  65           HA       CYS  65 -11.657   3.137   3.137
  439   1HB   CYS  65           HB2      CYS  65 -11.424   0.760   0.760
  440   2HB   CYS  65           HB1      CYS  65 -12.973   0.327   0.327
  441    H    HIS  66           HN       HIS  66 -11.619   3.144   3.144
  442    HA   HIS  66           HA       HIS  66 -14.005   2.602   2.602
  443   1HB   HIS  66           HB2      HIS  66 -14.341   4.887   4.887
  444   2HB   HIS  66           HB1      HIS  66 -14.772   4.874   4.874
  445    HD1  HIS  66           HD1      HIS  66 -12.835   5.930   5.930
  446    HD2  HIS  66           HD2      HIS  66 -12.528   6.853   6.853
  447    HE1  HIS  66           HE1      HIS  66 -11.367   7.982   7.982
  448    HE2  HIS  66           HE2      HIS  66 -11.204   8.503   8.503
  449    H    SER  67           HN       SER  67 -13.266   3.528   3.528
  450    HA   SER  67           HA       SER  67 -10.629   3.990   3.990
  451   1HB   SER  67           HB2      SER  67 -11.657   1.071   1.071
  452   2HB   SER  67           HB1      SER  67 -10.249   1.761   1.761
  453    HG   SER  67           HG       SER  67 -10.325   1.921   1.921
  454   1HN   NH2  68           H1       NH2  68 -10.809   3.642   3.642
  455   2HN   NH2  68           H2       NH2  68 -12.386   4.029   4.029

  Start of MODEL    8
    1   1H    VAL   1           HT2      VAL   1   6.542  13.119  13.119
    2   2H    VAL   1           HT1      VAL   1   7.799  12.432  12.432
    3   3H    VAL   1           HT3      VAL   1   8.099  12.986  12.986
    4    HA   VAL   1           HA       VAL   1   6.597  11.342  11.342
    5    HB   VAL   1           HB       VAL   1   7.968   9.288   9.288
    6   1HG1  VAL   1          HG11      VAL   1   8.695  11.029  11.029
    7   2HG1  VAL   1          HG13      VAL   1   9.640  11.864  11.864
    8   3HG1  VAL   1          HG12      VAL   1  10.083  10.191  10.191
    9   1HG2  VAL   1          HG21      VAL   1   9.349  11.010  11.010
   10   2HG2  VAL   1          HG23      VAL   1   8.325   9.553   9.553
   11   3HG2  VAL   1          HG22      VAL   1   9.881   9.396   9.396
   12    H    ARG   2           HN       ARG   2   5.755   8.975   8.975
   13    HA   ARG   2           HA       ARG   2   4.480   9.011   9.011
   14   1HB   ARG   2           HB2      ARG   2   2.482   7.895   7.895
   15   2HB   ARG   2           HB1      ARG   2   2.707   9.538   9.538
   16   1HG   ARG   2           HG2      ARG   2   4.157   7.569   7.569
   17   2HG   ARG   2           HG1      ARG   2   2.463   7.054   7.054
   18   1HD   ARG   2           HD2      ARG   2   3.280   9.912   9.912
   19   2HD   ARG   2           HD1      ARG   2   3.047   8.524   8.524
   20    HE   ARG   2           HE       ARG   2   0.720   8.398   8.398
   21   1HH1  ARG   2          HH11      ARG   2   2.278  11.280  11.280
   22   2HH1  ARG   2          HH12      ARG   2   0.778  12.096  12.096
   23   1HH2  ARG   2          HH21      ARG   2  -1.255   9.519   9.519
   24   2HH2  ARG   2          HH22      ARG   2  -1.258  11.078  11.078
   25    H    ASP   3           HN       ASP   3   3.663   6.565   6.565
   26    HA   ASP   3           HA       ASP   3   5.149   4.628   4.628
   27   1HB   ASP   3           HB2      ASP   3   4.764   4.480   4.480
   28   2HB   ASP   3           HB1      ASP   3   5.545   3.246   3.246
   29    H    GLY   4           HN       GLY   4   3.355   2.897   2.897
   30   1HA   GLY   4           HA2      GLY   4   1.149   3.123   3.123
   31   2HA   GLY   4           HA1      GLY   4   0.843   3.801   3.801
   32    H    TYR   5           HN       TYR   5  -0.548   1.593   1.593
   33    HA   TYR   5           HA       TYR   5   1.023  -0.521  -0.521
   34   1HB   TYR   5           HB2      TYR   5  -1.921  -0.155  -0.155
   35   2HB   TYR   5           HB1      TYR   5  -1.475  -1.305  -1.305
   36    HD1  TYR   5           HD1      TYR   5  -0.039  -3.270  -3.270
   37    HD2  TYR   5           HD2      TYR   5  -1.732  -0.743  -0.743
   38    HE1  TYR   5           HE1      TYR   5  -0.062  -5.166  -5.166
   39    HE2  TYR   5           HE2      TYR   5  -1.701  -2.629  -2.629
   40    HH   TYR   5           HH       TYR   5  -1.771  -5.689  -5.689
   41    H    ILE   6           HN       ILE   6   0.857  -0.559  -0.559
   42    HA   ILE   6           HA       ILE   6   0.197   2.125   2.125
   43    HB   ILE   6           HB       ILE   6   2.444   1.460   1.460
   44   1HG1  ILE   6          HG12      ILE   6   0.575   1.811   1.811
   45   2HG1  ILE   6          HG11      ILE   6   1.222   3.119   3.119
   46   1HG2  ILE   6          HG22      ILE   6   2.155  -0.953  -0.953
   47   2HG2  ILE   6          HG21      ILE   6   1.100  -0.744  -0.744
   48   3HG2  ILE   6          HG23      ILE   6   2.844  -0.294  -0.294
   49   1HD1  ILE   6          HD11      ILE   6   3.595   2.362   2.362
   50   2HD1  ILE   6          HD13      ILE   6   2.772   1.286   1.286
   51   3HD1  ILE   6          HD12      ILE   6   2.538   3.061   3.061
   52    H    ALA   7           HN       ALA   7  -1.318   2.530   2.530
   53    HA   ALA   7           HA       ALA   7  -3.260   0.558   0.558
   54   1HB   ALA   7           HB2      ALA   7  -4.304   2.276   2.276
   55   2HB   ALA   7           HB1      ALA   7  -3.722   3.560   3.560
   56   3HB   ALA   7           HB3      ALA   7  -4.953   2.361   2.361
   57    H    GLN   8           HN       GLN   8  -4.594   1.832   1.832
   58    HA   GLN   8           HA       GLN   8  -2.627   2.673   2.673
   59   1HB   GLN   8           HB2      GLN   8  -5.613   1.929   1.929
   60   2HB   GLN   8           HB1      GLN   8  -4.491   2.354   2.354
   61   1HG   GLN   8           HG2      GLN   8  -3.176   0.346   0.346
   62   2HG   GLN   8           HG1      GLN   8  -3.983  -0.040  -0.040
   63   1HE2  GLN   8          HE22      GLN   8  -6.452  -2.023  -2.023
   64   2HE2  GLN   8          HE21      GLN   8  -5.578  -1.570  -1.570
   65    HA   PRO   9           HA       PRO   9  -4.036   6.392   6.392
   66   1HB   PRO   9           HB2      PRO   9  -3.142   8.387   8.387
   67   2HB   PRO   9           HB1      PRO   9  -2.046   7.302   7.302
   68   1HG   PRO   9           HG1      PRO   9  -3.024   6.904   6.904
   69   2HG   PRO   9           HG2      PRO   9  -1.310   6.901   6.901
   70   1HD   PRO   9           HD1      PRO   9  -2.679   4.532   4.532
   71   2HD   PRO   9           HD2      PRO   9  -1.659   4.795   4.795
   72    H    GLU  10           HN       GLU  10  -6.277   5.307   5.307
   73    HA   GLU  10           HA       GLU  10  -7.824   7.736   7.736
   74   1HB   GLU  10           HB2      GLU  10  -8.505   4.745   4.745
   75   2HB   GLU  10           HB1      GLU  10  -9.752   6.032   6.032
   76   1HG   GLU  10           HG2      GLU  10  -7.331   6.033   6.033
   77   2HG   GLU  10           HG1      GLU  10  -8.867   5.174   5.174
   78    H    ASN  11           HN       ASN  11  -8.603   4.468   4.468
   79    HA   ASN  11           HA       ASN  11  -7.177   4.698   4.698
   80   1HB   ASN  11           HB2      ASN  11  -9.205   5.981   5.981
   81   2HB   ASN  11           HB1      ASN  11 -10.298   4.777   4.777
   82   1HD2  ASN  11          HD21      ASN  11 -10.234   3.379   3.379
   83   2HD2  ASN  11          HD22      ASN  11 -11.204   4.028   4.028
   84    H    CYS  12           HN       CYS  12  -7.137   2.306   2.306
   85    HA   CYS  12           HA       CYS  12  -8.799   0.423   0.423
   86   1HB   CYS  12           HB2      CYS  12  -6.787   1.095   1.095
   87   2HB   CYS  12           HB1      CYS  12  -7.353  -0.585  -0.585
   88    H    VAL  13           HN       VAL  13  -6.541  -1.444  -1.444
   89    HA   VAL  13           HA       VAL  13  -4.522  -0.787  -0.787
   90    HB   VAL  13           HB       VAL  13  -4.121  -3.357  -3.357
   91   1HG1  VAL  13          HG11      VAL  13  -6.361  -1.990  -1.990
   92   2HG1  VAL  13          HG13      VAL  13  -5.744  -3.651  -3.651
   93   3HG1  VAL  13          HG12      VAL  13  -4.642  -2.245  -2.245
   94   1HG2  VAL  13          HG22      VAL  13  -5.855  -3.913  -3.913
   95   2HG2  VAL  13          HG21      VAL  13  -6.105  -4.799  -4.799
   96   3HG2  VAL  13          HG23      VAL  13  -7.159  -3.401  -3.401
   97    H    TYR  14           HN       TYR  14  -2.448  -1.517  -1.517
   98    HA   TYR  14           HA       TYR  14  -2.899  -1.948  -1.948
   99   1HB   TYR  14           HB2      TYR  14  -0.677  -0.615  -0.615
  100   2HB   TYR  14           HB1      TYR  14  -0.048  -2.106  -2.106
  101    HD1  TYR  14           HD1      TYR  14  -1.476  -2.397  -2.397
  102    HD2  TYR  14           HD2      TYR  14   0.198   1.080   1.080
  103    HE1  TYR  14           HE1      TYR  14  -1.194  -1.346  -1.346
  104    HE2  TYR  14           HE2      TYR  14   0.471   2.146   2.146
  105    HH   TYR  14           HH       TYR  14  -0.656   0.589   0.589
  106    H    HIS  15           HN       HIS  15  -2.302  -4.256  -4.256
  107    HA   HIS  15           HA       HIS  15  -2.667  -5.781  -5.781
  108   1HB   HIS  15           HB2      HIS  15  -2.783  -6.605  -6.605
  109   2HB   HIS  15           HB1      HIS  15  -3.008  -7.727  -7.727
  110    HD1  HIS  15           HD1      HIS  15  -4.749  -4.772  -4.772
  111    HD2  HIS  15           HD2      HIS  15  -5.413  -7.641  -7.641
  112    HE1  HIS  15           HE1      HIS  15  -7.178  -4.580  -4.580
  113    HE2  HIS  15           HE2      HIS  15  -7.527  -6.318  -6.318
  114    H    CYS  16           HN       CYS  16  -1.456  -8.128  -8.128
  115    HA   CYS  16           HA       CYS  16   1.265  -7.799  -7.799
  116   1HB   CYS  16           HB2      CYS  16   1.337  -7.176  -7.176
  117   2HB   CYS  16           HB1      CYS  16   0.186  -8.489  -8.489
  118    H    PHE  17           HN       PHE  17   1.844 -10.290 -10.290
  119    HA   PHE  17           HA       PHE  17  -0.485 -11.936 -11.936
  120   1HB   PHE  17           HB2      PHE  17   2.110 -11.802 -11.802
  121   2HB   PHE  17           HB1      PHE  17   0.783 -13.003 -13.003
  122    HD1  PHE  17           HD2      PHE  17  -1.554 -10.790 -10.790
  123    HD2  PHE  17           HD1      PHE  17   2.111 -11.036 -11.036
  124    HE1  PHE  17           HE2      PHE  17  -2.506  -9.320  -9.320
  125    HE2  PHE  17           HE1      PHE  17   1.115  -9.613  -9.613
  126    HZ   PHE  17           HZ       PHE  17  -1.191  -8.733  -8.733
  127    HA   PRO  18           HA       PRO  18   2.306 -13.237 -13.237
  128   1HB   PRO  18           HB2      PRO  18   1.562 -16.118 -16.118
  129   2HB   PRO  18           HB1      PRO  18   1.711 -15.454 -15.454
  130   1HG   PRO  18           HG1      PRO  18  -0.749 -15.695 -15.695
  131   2HG   PRO  18           HG2      PRO  18  -0.339 -14.172 -14.172
  132   1HD   PRO  18           HD1      PRO  18  -0.373 -14.622 -14.622
  133   2HD   PRO  18           HD2      PRO  18  -0.841 -13.161 -13.161
  134    H    GLY  19           HN       GLY  19   4.404 -12.551 -12.551
  135   1HA   GLY  19           HA2      GLY  19   6.380 -14.333 -14.333
  136   2HA   GLY  19           HA1      GLY  19   5.764 -14.085 -14.085
  137    H    SER  20           HN       SER  20   8.110 -12.767 -12.767
  138    HA   SER  20           HA       SER  20   7.811 -10.229 -10.229
  139   1HB   SER  20           HB2      SER  20   9.906 -11.032 -11.032
  140   2HB   SER  20           HB1      SER  20  10.077  -9.853  -9.853
  141    HG   SER  20           HG       SER  20  11.094 -11.747 -11.747
  142    H    SER  21           HN       SER  21   7.278 -11.627 -11.627
  143    HA   SER  21           HA       SER  21   8.270  -9.947  -9.947
  144   1HB   SER  21           HB2      SER  21   5.607 -11.318 -11.318
  145   2HB   SER  21           HB1      SER  21   7.019 -11.050 -11.050
  146    HG   SER  21           HG       SER  21   7.087 -13.147 -13.147
  147    H    GLY  22           HN       GLY  22   4.734  -9.600  -9.600
  148   1HA   GLY  22           HA2      GLY  22   4.561  -7.361  -7.361
  149   2HA   GLY  22           HA1      GLY  22   3.332  -7.947  -7.947
  150    H    CYS  23           HN       CYS  23   4.447  -7.740  -7.740
  151    HA   CYS  23           HA       CYS  23   3.997  -5.087  -5.087
  152   1HB   CYS  23           HB2      CYS  23   3.485  -6.924  -6.924
  153   2HB   CYS  23           HB1      CYS  23   5.213  -7.350  -7.350
  154    H    ASP  24           HN       ASP  24   7.170  -6.905  -6.905
  155    HA   ASP  24           HA       ASP  24   8.600  -4.769  -4.769
  156   1HB   ASP  24           HB2      ASP  24   9.430  -7.187  -7.187
  157   2HB   ASP  24           HB1      ASP  24   9.696  -6.876  -6.876
  158    H    THR  25           HN       THR  25   7.839  -5.668  -5.668
  159    HA   THR  25           HA       THR  25   9.401  -3.687  -3.687
  160    HB   THR  25           HB       THR  25   6.855  -4.961  -4.961
  161    HG1  THR  25           HG1      THR  25   7.968  -6.730  -6.730
  162   1HG2  THR  25          HG22      THR  25   9.449  -3.899  -3.899
  163   2HG2  THR  25          HG21      THR  25   8.058  -4.651  -4.651
  164   3HG2  THR  25          HG23      THR  25   7.848  -3.073  -3.073
  165    H    LEU  26           HN       LEU  26   5.844  -3.823  -3.823
  166    HA   LEU  26           HA       LEU  26   5.211  -1.334  -1.334
  167   1HB   LEU  26           HB2      LEU  26   3.893  -2.965  -2.965
  168   2HB   LEU  26           HB1      LEU  26   3.166  -1.452  -1.452
  169    HG   LEU  26           HG       LEU  26   3.801  -3.870  -3.870
  170   1HD1  LEU  26          HD12      LEU  26   1.176  -3.195  -3.195
  171   2HD1  LEU  26          HD11      LEU  26   1.374  -4.452  -4.452
  172   3HD1  LEU  26          HD13      LEU  26   2.251  -4.612  -4.612
  173   1HD2  LEU  26          HD22      LEU  26   2.010  -1.387  -1.387
  174   2HD2  LEU  26          HD21      LEU  26   3.564  -1.756  -1.756
  175   3HD2  LEU  26          HD23      LEU  26   2.138  -2.804  -2.804
  176    H    CYS  27           HN       CYS  27   6.120  -2.308  -2.308
  177    HA   CYS  27           HA       CYS  27   5.791   0.200   0.200
  178   1HB   CYS  27           HB2      CYS  27   6.161  -2.028  -2.028
  179   2HB   CYS  27           HB1      CYS  27   7.895  -1.918  -1.918
  180    H    LYS  28           HN       LYS  28   8.651  -1.341  -1.341
  181    HA   LYS  28           HA       LYS  28  10.372   0.746   0.746
  182   1HB   LYS  28           HB2      LYS  28  11.097  -1.541  -1.541
  183   2HB   LYS  28           HB1      LYS  28  10.631  -1.165  -1.165
  184   1HG   LYS  28           HG2      LYS  28  12.356   0.643   0.643
  185   2HG   LYS  28           HG1      LYS  28  12.728   0.366   0.366
  186   1HD   LYS  28           HD2      LYS  28  13.457  -1.985  -1.985
  187   2HD   LYS  28           HD1      LYS  28  13.093  -1.691  -1.691
  188   1HE   LYS  28           HE2      LYS  28  15.522  -1.473  -1.473
  189   2HE   LYS  28           HE1      LYS  28  14.840   0.146   0.146
  190   1HZ   LYS  28           HZ2      LYS  28  15.404  -0.810  -0.810
  191   2HZ   LYS  28           HZ1      LYS  28  16.392   0.218   0.218
  192   3HZ   LYS  28           HZ3      LYS  28  14.841   0.729   0.729
  193    H    GLU  29           HN       GLU  29   8.435   0.172   0.172
  194    HA   GLU  29           HA       GLU  29   9.595   2.370   2.370
  195   1HB   GLU  29           HB2      GLU  29   7.931   2.067   2.067
  196   2HB   GLU  29           HB1      GLU  29   8.619   0.487   0.487
  197   1HG   GLU  29           HG2      GLU  29   6.565   0.119   0.119
  198   2HG   GLU  29           HG1      GLU  29   5.852   1.634   1.634
  199    H    LYS  30           HN       LYS  30   6.876   2.192   2.192
  200    HA   LYS  30           HA       LYS  30   6.012   4.867   4.867
  201   1HB   LYS  30           HB2      LYS  30   5.099   2.987   2.987
  202   2HB   LYS  30           HB1      LYS  30   4.406   4.620   4.620
  203   1HG   LYS  30           HG2      LYS  30   4.418   2.347   2.347
  204   2HG   LYS  30           HG1      LYS  30   3.060   2.673   2.673
  205   1HD   LYS  30           HD2      LYS  30   2.660   4.879   4.879
  206   2HD   LYS  30           HD1      LYS  30   4.131   4.791   4.791
  207   1HE   LYS  30           HE2      LYS  30   1.730   2.871   2.871
  208   2HE   LYS  30           HE1      LYS  30   1.968   4.368   4.368
  209   1HZ   LYS  30           HZ3      LYS  30   3.865   2.084   2.084
  210   2HZ   LYS  30           HZ2      LYS  30   2.727   2.362   2.362
  211   3HZ   LYS  30           HZ1      LYS  30   3.990   3.467   3.467
  212    H    GLY  31           HN       GLY  31   8.261   3.322   3.322
  213   1HA   GLY  31           HA2      GLY  31  10.113   4.561   4.561
  214   2HA   GLY  31           HA1      GLY  31   9.126   6.054   6.054
  215    H    GLY  32           HN       GLY  32   8.600   2.734   2.734
  216   1HA   GLY  32           HA2      GLY  32   9.053   3.881   3.881
  217   2HA   GLY  32           HA1      GLY  32   8.135   2.382   2.382
  218    H    THR  33           HN       THR  33  10.937   3.230   3.230
  219    HA   THR  33           HA       THR  33  12.741   1.742   1.742
  220    HB   THR  33           HB       THR  33  14.430   2.830   2.830
  221    HG1  THR  33           HG1      THR  33  13.601   4.510   4.510
  222   1HG2  THR  33          HG21      THR  33  12.565   4.548   4.548
  223   2HG2  THR  33          HG23      THR  33  14.205   5.038   5.038
  224   3HG2  THR  33          HG22      THR  33  14.012   3.631   3.631
  225    H    SER  34           HN       SER  34  10.578   0.908   0.908
  226    HA   SER  34           HA       SER  34  11.866  -1.522  -1.522
  227   1HB   SER  34           HB2      SER  34  11.429   0.155   0.155
  228   2HB   SER  34           HB1      SER  34  11.629  -1.644  -1.644
  229    HG   SER  34           HG       SER  34  13.525  -0.141  -0.141
  230    H    GLY  35           HN       GLY  35   9.979  -2.960  -2.960
  231   1HA   GLY  35           HA2      GLY  35   7.552  -1.874  -1.874
  232   2HA   GLY  35           HA1      GLY  35   7.746  -2.361  -2.361
  233    H    HIS  36           HN       HIS  36   6.108  -4.206  -4.206
  234    HA   HIS  36           HA       HIS  36   7.576  -6.483  -6.483
  235   1HB   HIS  36           HB2      HIS  36   6.912  -7.568  -7.568
  236   2HB   HIS  36           HB1      HIS  36   8.231  -6.374  -6.374
  237    HD1  HIS  36           HD1      HIS  36   7.817  -4.441  -4.441
  238    HD2  HIS  36           HD2      HIS  36   4.295  -6.586  -6.586
  239    HE1  HIS  36           HE1      HIS  36   6.037  -3.588  -3.588
  240    HE2  HIS  36           HE2      HIS  36   3.934  -4.910  -4.910
  241    H    CYS  37           HN       CYS  37   5.614  -8.250  -8.250
  242    HA   CYS  37           HA       CYS  37   3.337  -7.104  -7.104
  243   1HB   CYS  37           HB2      CYS  37   4.552  -9.134  -9.134
  244   2HB   CYS  37           HB1      CYS  37   4.206  -9.996  -9.996
  245    H    GLY  38           HN       GLY  38   1.062  -7.607  -7.607
  246   1HA   GLY  38           HA2      GLY  38   0.918  -8.874  -8.874
  247   2HA   GLY  38           HA1      GLY  38   0.959  -7.062  -7.062
  248    H    PHE  39           HN       PHE  39  -1.484  -7.338  -7.338
  249    HA   PHE  39           HA       PHE  39  -3.206  -7.465  -7.465
  250   1HB   PHE  39           HB2      PHE  39  -2.720  -9.874  -9.874
  251   2HB   PHE  39           HB1      PHE  39  -3.803  -9.184  -9.184
  252    HD1  PHE  39           HD2      PHE  39  -6.167  -8.329  -8.329
  253    HD2  PHE  39           HD1      PHE  39  -3.584 -11.143 -11.143
  254    HE1  PHE  39           HE2      PHE  39  -8.117  -9.312  -9.312
  255    HE2  PHE  39           HE1      PHE  39  -5.528 -12.120 -12.120
  256    HZ   PHE  39           HZ       PHE  39  -7.805 -11.225 -11.225
  257    H    LYS  40           HN       LYS  40  -5.050  -6.114  -6.114
  258    HA   LYS  40           HA       LYS  40  -5.024  -5.391  -5.391
  259   1HB   LYS  40           HB2      LYS  40  -4.106  -3.365  -3.365
  260   2HB   LYS  40           HB1      LYS  40  -5.414  -3.385  -3.385
  261   1HG   LYS  40           HG2      LYS  40  -7.116  -2.937  -2.937
  262   2HG   LYS  40           HG1      LYS  40  -5.933  -3.142  -3.142
  263   1HD   LYS  40           HD2      LYS  40  -4.798  -1.084  -1.084
  264   2HD   LYS  40           HD1      LYS  40  -5.631  -0.954  -0.954
  265   1HE   LYS  40           HE2      LYS  40  -7.821  -0.569  -0.569
  266   2HE   LYS  40           HE1      LYS  40  -7.066  -0.794  -0.794
  267   1HZ   LYS  40           HZ3      LYS  40  -6.311   1.340   1.340
  268   2HZ   LYS  40           HZ2      LYS  40  -7.419   1.513   1.513
  269   3HZ   LYS  40           HZ1      LYS  40  -5.791   1.160   1.160
  270    H    VAL  41           HN       VAL  41  -6.704  -6.732  -6.732
  271    HA   VAL  41           HA       VAL  41  -8.599  -7.473  -7.473
  272    HB   VAL  41           HB       VAL  41  -9.036  -7.838  -7.838
  273   1HG1  VAL  41          HG11      VAL  41 -10.871  -8.477  -8.477
  274   2HG1  VAL  41          HG13      VAL  41  -9.706  -9.528  -9.528
  275   3HG1  VAL  41          HG12      VAL  41 -10.164  -9.921  -9.921
  276   1HG2  VAL  41          HG23      VAL  41  -7.166  -9.494  -9.494
  277   2HG2  VAL  41          HG22      VAL  41  -6.669  -8.537  -8.537
  278   3HG2  VAL  41          HG21      VAL  41  -7.720  -9.971  -9.971
  279    H    GLY  42           HN       GLY  42 -10.414  -6.344  -6.344
  280   1HA   GLY  42           HA2      GLY  42 -12.193  -4.832  -4.832
  281   2HA   GLY  42           HA1      GLY  42 -10.720  -3.779  -3.779
  282    H    HIS  43           HN       HIS  43  -9.088  -4.498  -4.498
  283    HA   HIS  43           HA       HIS  43 -10.745  -3.846  -3.846
  284   1HB   HIS  43           HB2      HIS  43  -7.812  -3.293  -3.293
  285   2HB   HIS  43           HB1      HIS  43  -8.439  -3.260  -3.260
  286    HD1  HIS  43           HD1      HIS  43  -9.058  -1.031  -1.031
  287    HD2  HIS  43           HD2      HIS  43  -9.446  -1.306  -1.306
  288    HE1  HIS  43           HE1      HIS  43  -9.677   1.264   1.264
  289    HE2  HIS  43           HE2      HIS  43  -9.910   1.064   1.064
  290    H    GLY  44           HN       GLY  44  -7.485  -5.512  -5.512
  291   1HA   GLY  44           HA2      GLY  44  -8.241  -7.992  -7.992
  292   2HA   GLY  44           HA1      GLY  44  -8.002  -7.109  -7.109
  293    H    LEU  45           HN       LEU  45  -6.126  -8.414  -8.414
  294    HA   LEU  45           HA       LEU  45  -3.825  -8.548  -8.548
  295   1HB   LEU  45           HB2      LEU  45  -4.825  -9.456  -9.456
  296   2HB   LEU  45           HB1      LEU  45  -3.199  -8.732  -8.732
  297    HG   LEU  45           HG       LEU  45  -3.836 -10.906 -10.906
  298   1HD1  LEU  45          HD11      LEU  45  -4.454 -11.706 -11.706
  299   2HD1  LEU  45          HD13      LEU  45  -2.807 -11.282 -11.282
  300   3HD1  LEU  45          HD12      LEU  45  -3.018 -12.576 -12.576
  301   1HD2  LEU  45          HD21      LEU  45  -1.654  -9.613  -9.613
  302   2HD2  LEU  45          HD23      LEU  45  -1.424 -11.369 -11.369
  303   3HD2  LEU  45          HD22      LEU  45  -1.141 -10.172 -10.172
  304    H    ALA  46           HN       ALA  46  -1.991  -6.923  -6.923
  305    HA   ALA  46           HA       ALA  46  -2.576  -4.563  -4.563
  306   1HB   ALA  46           HB3      ALA  46  -3.539  -4.175  -4.175
  307   2HB   ALA  46           HB2      ALA  46  -1.927  -4.574  -4.574
  308   3HB   ALA  46           HB1      ALA  46  -2.140  -3.103  -3.103
  309    H    CYS  47           HN       CYS  47  -0.367  -3.018  -3.018
  310    HA   CYS  47           HA       CYS  47   1.815  -5.008  -5.008
  311   1HB   CYS  47           HB2      CYS  47   1.725  -4.649  -4.649
  312   2HB   CYS  47           HB1      CYS  47   1.570  -2.895  -2.895
  313    H    TRP  48           HN       TRP  48   3.688  -3.731  -3.731
  314    HA   TRP  48           HA       TRP  48   2.565  -1.407  -1.407
  315   1HB   TRP  48           HB2      TRP  48   2.689  -3.235  -3.235
  316   2HB   TRP  48           HB1      TRP  48   4.310  -3.706  -3.706
  317    HD1  TRP  48           HD1      TRP  48   6.421  -2.143  -2.143
  318    HE1  TRP  48           HE1      TRP  48   6.732  -0.233  -0.233
  319    HE3  TRP  48           HE3      TRP  48   1.574  -1.724  -1.724
  320    HZ2  TRP  48           HZ2      TRP  48   5.071   1.188   1.188
  321    HZ3  TRP  48           HZ3      TRP  48   0.978  -0.104  -0.104
  322    HH2  TRP  48           HH2      TRP  48   2.703   1.353   1.353
  323    H    CYS  49           HN       CYS  49   4.272   0.305   0.305
  324    HA   CYS  49           HA       CYS  49   6.733  -0.158  -0.158
  325   1HB   CYS  49           HB2      CYS  49   4.696   1.985   1.985
  326   2HB   CYS  49           HB1      CYS  49   6.450   2.120   2.120
  327    H    ASN  50           HN       ASN  50   8.286   1.402   1.402
  328    HA   ASN  50           HA       ASN  50   7.302   3.225   3.225
  329   1HB   ASN  50           HB2      ASN  50   9.965   1.683   1.683
  330   2HB   ASN  50           HB1      ASN  50   9.853   3.227   3.227
  331   1HD2  ASN  50          HD22      ASN  50   8.519   1.765   1.765
  332   2HD2  ASN  50          HD21      ASN  50   9.051   3.209   3.209
  333    H    ALA  51           HN       ALA  51   8.016   5.310   5.310
  334    HA   ALA  51           HA       ALA  51   8.882   7.093   7.093
  335   1HB   ALA  51           HB2      ALA  51  11.102   6.102   6.102
  336   2HB   ALA  51           HB1      ALA  51  11.148   5.459   5.459
  337   3HB   ALA  51           HB3      ALA  51  11.155   7.239   7.239
  338    H    LEU  52           HN       LEU  52   6.781   6.556   6.556
  339    HA   LEU  52           HA       LEU  52   7.409   6.640   6.640
  340   1HB   LEU  52           HB2      LEU  52   4.750   6.481   6.481
  341   2HB   LEU  52           HB1      LEU  52   4.809   6.944   6.944
  342    HG   LEU  52           HG       LEU  52   5.966   4.316   4.316
  343   1HD1  LEU  52          HD12      LEU  52   3.128   4.912   4.912
  344   2HD1  LEU  52          HD11      LEU  52   3.816   3.270   3.270
  345   3HD1  LEU  52          HD13      LEU  52   3.570   4.356   4.356
  346   1HD2  LEU  52          HD21      LEU  52   6.761   5.092   5.092
  347   2HD2  LEU  52          HD23      LEU  52   5.843   3.555   3.555
  348   3HD2  LEU  52          HD22      LEU  52   5.075   5.089   5.089
  349    HA   PRO  53           HA       PRO  53   7.066  11.051  11.051
  350   1HB   PRO  53           HB2      PRO  53   6.819  11.999  11.999
  351   2HB   PRO  53           HB1      PRO  53   8.364  11.334  11.334
  352   1HG   PRO  53           HG1      PRO  53   6.273   9.893   9.893
  353   2HG   PRO  53           HG2      PRO  53   8.071   9.900   9.900
  354   1HD   PRO  53           HD1      PRO  53   6.654   7.868   7.868
  355   2HD   PRO  53           HD2      PRO  53   8.342   8.316   8.316
  356    H    ASP  54           HN       ASP  54   5.458  12.900  12.900
  357    HA   ASP  54           HA       ASP  54   3.009  11.786  11.786
  358   1HB   ASP  54           HB2      ASP  54   3.825  14.667  14.667
  359   2HB   ASP  54           HB1      ASP  54   2.381  14.174  14.174
  360    H    ASN  55           HN       ASN  55   3.920  11.744  11.744
  361    HA   ASN  55           HA       ASN  55   1.417  12.826  12.826
  362   1HB   ASN  55           HB2      ASN  55   2.480  12.587  12.587
  363   2HB   ASN  55           HB1      ASN  55   3.419  13.674  13.674
  364   1HD2  ASN  55          HD22      ASN  55   5.105  10.127  10.127
  365   2HD2  ASN  55          HD21      ASN  55   3.389  10.387  10.387
  366    H    VAL  56           HN       VAL  56   2.417  10.089  10.089
  367    HA   VAL  56           HA       VAL  56   1.199   8.291   8.291
  368    HB   VAL  56           HB       VAL  56   2.735   7.470   7.470
  369   1HG1  VAL  56          HG11      VAL  56   2.046   6.079   6.079
  370   2HG1  VAL  56          HG13      VAL  56   3.069   5.371   5.371
  371   3HG1  VAL  56          HG12      VAL  56   1.346   5.694   5.694
  372   1HG2  VAL  56          HG22      VAL  56   3.875   8.138   8.138
  373   2HG2  VAL  56          HG21      VAL  56   4.279   8.933   8.933
  374   3HG2  VAL  56          HG23      VAL  56   4.757   7.243   7.243
  375    H    GLY  57           HN       GLY  57  -0.491   6.754   6.754
  376   1HA   GLY  57           HA2      GLY  57  -1.773   8.169   8.169
  377   2HA   GLY  57           HA1      GLY  57  -2.654   7.589   7.589
  378    H    ILE  58           HN       ILE  58  -3.284   6.400   6.400
  379    HA   ILE  58           HA       ILE  58  -2.143   3.830   3.830
  380    HB   ILE  58           HB       ILE  58  -1.373   4.006   4.006
  381   1HG1  ILE  58          HG12      ILE  58  -1.456   7.058   7.058
  382   2HG1  ILE  58          HG11      ILE  58  -2.643   6.129   6.129
  383   1HG2  ILE  58          HG22      ILE  58   0.236   4.130   4.130
  384   2HG2  ILE  58          HG21      ILE  58   0.275   5.900   5.900
  385   3HG2  ILE  58          HG23      ILE  58   0.881   4.811   4.811
  386   1HD1  ILE  58          HD13      ILE  58  -0.826   5.271   5.271
  387   2HD1  ILE  58          HD12      ILE  58   0.393   6.220   6.220
  388   3HD1  ILE  58          HD11      ILE  58  -0.899   7.077   7.077
  389    H    ILE  59           HN       ILE  59  -3.105   2.941   2.941
  390    HA   ILE  59           HA       ILE  59  -5.729   2.855   2.855
  391    HB   ILE  59           HB       ILE  59  -5.107   1.852   1.852
  392   1HG1  ILE  59          HG12      ILE  59  -3.065   1.241   1.241
  393   2HG1  ILE  59          HG11      ILE  59  -4.115  -0.174  -0.174
  394   1HG2  ILE  59          HG23      ILE  59  -6.723   0.874   0.874
  395   2HG2  ILE  59          HG22      ILE  59  -6.522  -0.061  -0.061
  396   3HG2  ILE  59          HG21      ILE  59  -7.354   1.531   1.531
  397   1HD1  ILE  59          HD12      ILE  59  -4.833  -0.031  -0.031
  398   2HD1  ILE  59          HD11      ILE  59  -3.434   1.091   1.091
  399   3HD1  ILE  59          HD13      ILE  59  -3.149  -0.581  -0.581
  400    H    VAL  60           HN       VAL  60  -7.557   3.814   3.814
  401    HA   VAL  60           HA       VAL  60  -7.655   5.372   5.372
  402    HB   VAL  60           HB       VAL  60  -8.585   5.954   5.954
  403   1HG1  VAL  60          HG11      VAL  60  -9.676   7.276   7.276
  404   2HG1  VAL  60          HG13      VAL  60  -9.877   7.916   7.916
  405   3HG1  VAL  60          HG12      VAL  60 -10.599   6.336   6.336
  406   1HG2  VAL  60          HG22      VAL  60  -6.961   7.574   7.574
  407   2HG2  VAL  60          HG21      VAL  60  -6.325   6.744   6.744
  408   3HG2  VAL  60          HG23      VAL  60  -7.434   8.151   8.151
  409    H    GLU  61           HN       GLU  61 -10.210   5.090   5.090
  410    HA   GLU  61           HA       GLU  61 -11.646   3.267   3.267
  411   1HB   GLU  61           HB2      GLU  61 -10.169   1.604   1.604
  412   2HB   GLU  61           HB1      GLU  61 -10.629   2.252   2.252
  413   1HG   GLU  61           HG2      GLU  61 -12.982   1.468   1.468
  414   2HG   GLU  61           HG1      GLU  61 -12.572   1.022   1.022
  415    H    GLY  62           HN       GLY  62 -13.812   3.280   3.280
  416   1HA   GLY  62           HA2      GLY  62 -15.166   4.778   4.778
  417   2HA   GLY  62           HA1      GLY  62 -14.016   6.099   6.099
  418    H    GLU  63           HN       GLU  63 -13.419   4.736   4.736
  419    HA   GLU  63           HA       GLU  63 -15.827   4.574   4.574
  420   1HB   GLU  63           HB2      GLU  63 -14.384   6.747   6.747
  421   2HB   GLU  63           HB1      GLU  63 -13.135   5.669   5.669
  422   1HG   GLU  63           HG2      GLU  63 -14.716   4.938   4.938
  423   2HG   GLU  63           HG1      GLU  63 -16.056   5.871   5.871
  424    H    LYS  64           HN       LYS  64 -13.549   3.483   3.483
  425    HA   LYS  64           HA       LYS  64 -12.167   1.595   1.595
  426   1HB   LYS  64           HB2      LYS  64 -14.596   0.631   0.631
  427   2HB   LYS  64           HB1      LYS  64 -14.577   0.384   0.384
  428   1HG   LYS  64           HG2      LYS  64 -12.857  -1.333  -1.333
  429   2HG   LYS  64           HG1      LYS  64 -12.352  -0.748  -0.748
  430   1HD   LYS  64           HD2      LYS  64 -15.093  -2.036  -2.036
  431   2HD   LYS  64           HD1      LYS  64 -13.621  -2.944  -2.944
  432   1HE   LYS  64           HE2      LYS  64 -13.444  -1.507  -1.507
  433   2HE   LYS  64           HE1      LYS  64 -15.046  -0.774  -0.774
  434   1HZ   LYS  64           HZ3      LYS  64 -14.481  -3.654  -3.654
  435   2HZ   LYS  64           HZ2      LYS  64 -15.245  -2.580  -2.580
  436   3HZ   LYS  64           HZ1      LYS  64 -15.994  -2.988  -2.988
  437    H    CYS  65           HN       CYS  65 -12.187  -0.081  -0.081
  438    HA   CYS  65           HA       CYS  65 -10.591   1.411   1.411
  439   1HB   CYS  65           HB2      CYS  65 -10.476  -1.092  -1.092
  440   2HB   CYS  65           HB1      CYS  65 -12.063  -1.252  -1.252
  441    H    HIS  66           HN       HIS  66 -11.051   2.739   2.739
  442    HA   HIS  66           HA       HIS  66 -13.609   2.318   2.318
  443   1HB   HIS  66           HB2      HIS  66 -14.507   4.502   4.502
  444   2HB   HIS  66           HB1      HIS  66 -14.063   4.084   4.084
  445    HD1  HIS  66           HD1      HIS  66 -11.485   5.151   5.151
  446    HD2  HIS  66           HD2      HIS  66 -13.676   6.945   6.945
  447    HE1  HIS  66           HE1      HIS  66 -10.527   7.476   7.476
  448    HE2  HIS  66           HE2      HIS  66 -11.879   8.519   8.519
  449    H    SER  67           HN       SER  67 -13.468   4.024   4.024
  450    HA   SER  67           HA       SER  67 -11.087   5.137   5.137
  451   1HB   SER  67           HB2      SER  67 -11.707   2.415   2.415
  452   2HB   SER  67           HB1      SER  67 -10.564   3.653   3.653
  453    HG   SER  67           HG       SER  67 -10.203   2.790   2.790
  454   1HN   NH2  68           H1       NH2  68 -11.760   5.784   5.784
  455   2HN   NH2  68           H2       NH2  68 -13.475   5.958   5.958

  Start of MODEL    9
    1   1H    VAL   1           HT3      VAL   1   7.090  11.587  11.587
    2   2H    VAL   1           HT2      VAL   1   8.599  11.536  11.536
    3   3H    VAL   1           HT1      VAL   1   7.377  12.562  12.562
    4    HA   VAL   1           HA       VAL   1   6.671  11.028  11.028
    5    HB   VAL   1           HB       VAL   1   7.688   8.660   8.660
    6   1HG1  VAL   1          HG13      VAL   1   8.387  10.577  10.577
    7   2HG1  VAL   1          HG12      VAL   1   9.572  11.074  11.074
    8   3HG1  VAL   1          HG11      VAL   1   9.742   9.477   9.477
    9   1HG2  VAL   1          HG23      VAL   1   9.365   9.784   9.784
   10   2HG2  VAL   1          HG22      VAL   1   8.139   8.467   8.467
   11   3HG2  VAL   1          HG21      VAL   1   9.632   8.237   8.237
   12    H    ARG   2           HN       ARG   2   5.642   8.715   8.715
   13    HA   ARG   2           HA       ARG   2   3.886   8.399   8.399
   14   1HB   ARG   2           HB2      ARG   2   3.531   7.244   7.244
   15   2HB   ARG   2           HB1      ARG   2   2.274   7.394   7.394
   16   1HG   ARG   2           HG2      ARG   2   2.121   9.825   9.825
   17   2HG   ARG   2           HG1      ARG   2   3.663   9.849   9.849
   18   1HD   ARG   2           HD2      ARG   2   2.212  10.089  10.089
   19   2HD   ARG   2           HD1      ARG   2   2.666   8.356   8.356
   20    HE   ARG   2           HE       ARG   2   0.415   7.754   7.754
   21   1HH1  ARG   2          HH11      ARG   2   0.793  11.269  11.269
   22   2HH1  ARG   2          HH12      ARG   2  -0.864  11.505  11.505
   23   1HH2  ARG   2          HH22      ARG   2  -1.777   8.091   8.091
   24   2HH2  ARG   2          HH21      ARG   2  -2.355   9.680   9.680
   25    H    ASP   3           HN       ASP   3   3.694   6.151   6.151
   26    HA   ASP   3           HA       ASP   3   5.207   4.144   4.144
   27   1HB   ASP   3           HB2      ASP   3   5.090   4.245   4.245
   28   2HB   ASP   3           HB1      ASP   3   5.869   2.996   2.996
   29    H    GLY   4           HN       GLY   4   3.555   2.599   2.599
   30   1HA   GLY   4           HA2      GLY   4   1.211   2.491   2.491
   31   2HA   GLY   4           HA1      GLY   4   1.044   3.488   3.488
   32    H    TYR   5           HN       TYR   5  -0.465   1.526   1.526
   33    HA   TYR   5           HA       TYR   5   1.085  -0.608  -0.608
   34   1HB   TYR   5           HB2      TYR   5  -1.901  -0.339  -0.339
   35   2HB   TYR   5           HB1      TYR   5  -1.340  -1.498  -1.498
   36    HD1  TYR   5           HD1      TYR   5   0.368  -3.266  -3.266
   37    HD2  TYR   5           HD2      TYR   5  -1.726  -0.864  -0.864
   38    HE1  TYR   5           HE1      TYR   5   1.035  -4.821  -4.821
   39    HE2  TYR   5           HE2      TYR   5  -1.122  -2.449  -2.449
   40    HH   TYR   5           HH       TYR   5   0.275  -4.203  -4.203
   41    H    ILE   6           HN       ILE   6   0.935  -0.554  -0.554
   42    HA   ILE   6           HA       ILE   6  -0.041   2.042   2.042
   43    HB   ILE   6           HB       ILE   6   2.298   1.497   1.497
   44   1HG1  ILE   6          HG12      ILE   6   0.547   1.603   1.603
   45   2HG1  ILE   6          HG11      ILE   6   0.957   3.002   3.002
   46   1HG2  ILE   6          HG21      ILE   6   1.076  -0.874  -0.874
   47   2HG2  ILE   6          HG23      ILE   6   2.769  -0.306  -0.306
   48   3HG2  ILE   6          HG22      ILE   6   2.204  -0.932  -0.932
   49   1HD1  ILE   6          HD11      ILE   6   3.435   2.530   2.530
   50   2HD1  ILE   6          HD13      ILE   6   2.858   1.363   1.363
   51   3HD1  ILE   6          HD12      ILE   6   2.401   3.096   3.096
   52    H    ALA   7           HN       ALA   7  -1.328   2.138   2.138
   53    HA   ALA   7           HA       ALA   7  -2.796  -0.072  -0.072
   54   1HB   ALA   7           HB2      ALA   7  -4.054   2.532   2.532
   55   2HB   ALA   7           HB1      ALA   7  -4.927   1.447   1.447
   56   3HB   ALA   7           HB3      ALA   7  -4.495   0.851   0.851
   57    H    GLN   8           HN       GLN   8  -4.061   1.080   1.080
   58    HA   GLN   8           HA       GLN   8  -2.346   2.995   2.995
   59   1HB   GLN   8           HB2      GLN   8  -5.060   1.686   1.686
   60   2HB   GLN   8           HB1      GLN   8  -4.139   2.741   2.741
   61   1HG   GLN   8           HG2      GLN   8  -2.341   1.138   1.138
   62   2HG   GLN   8           HG1      GLN   8  -2.921   0.122   0.122
   63   1HE2  GLN   8          HE22      GLN   8  -5.539  -1.483  -1.483
   64   2HE2  GLN   8          HE21      GLN   8  -5.012  -1.009  -1.009
   65    HA   PRO   9           HA       PRO   9  -3.751   5.856   5.856
   66   1HB   PRO   9           HB2      PRO   9  -3.953   8.277   8.277
   67   2HB   PRO   9           HB1      PRO   9  -2.433   7.323   7.323
   68   1HG   PRO   9           HG1      PRO   9  -4.452   7.202   7.202
   69   2HG   PRO   9           HG2      PRO   9  -2.653   7.434   7.434
   70   1HD   PRO   9           HD1      PRO   9  -3.760   4.948   4.948
   71   2HD   PRO   9           HD2      PRO   9  -2.252   5.129   5.129
   72    H    GLU  10           HN       GLU  10  -6.326   5.025   5.025
   73    HA   GLU  10           HA       GLU  10  -8.131   7.068   7.068
   74   1HB   GLU  10           HB2      GLU  10  -8.895   4.760   4.760
   75   2HB   GLU  10           HB1      GLU  10  -9.764   6.287   6.287
   76   1HG   GLU  10           HG2      GLU  10  -7.022   6.041   6.041
   77   2HG   GLU  10           HG1      GLU  10  -8.631   6.154   6.154
   78    H    ASN  11           HN       ASN  11  -6.734   4.603   4.603
   79    HA   ASN  11           HA       ASN  11  -7.067   3.412   3.412
   80   1HB   ASN  11           HB2      ASN  11  -8.878   5.095   5.095
   81   2HB   ASN  11           HB1      ASN  11 -10.090   3.941   3.941
   82   1HD2  ASN  11          HD22      ASN  11  -9.941   2.820   2.820
   83   2HD2  ASN  11          HD21      ASN  11 -10.917   3.523   3.523
   84    H    CYS  12           HN       CYS  12  -6.723   2.244   2.244
   85    HA   CYS  12           HA       CYS  12  -8.691   0.005   0.005
   86   1HB   CYS  12           HB2      CYS  12  -7.373   1.598   1.598
   87   2HB   CYS  12           HB1      CYS  12  -7.571  -0.171  -0.171
   88    H    VAL  13           HN       VAL  13  -7.382  -1.652  -1.652
   89    HA   VAL  13           HA       VAL  13  -4.825  -0.884  -0.884
   90    HB   VAL  13           HB       VAL  13  -4.527  -2.896  -2.896
   91   1HG1  VAL  13          HG11      VAL  13  -5.940  -0.860  -0.860
   92   2HG1  VAL  13          HG13      VAL  13  -7.404  -1.778  -1.778
   93   3HG1  VAL  13          HG12      VAL  13  -6.347  -2.400  -2.400
   94   1HG2  VAL  13          HG21      VAL  13  -7.152  -3.791  -3.791
   95   2HG2  VAL  13          HG23      VAL  13  -5.518  -4.557  -4.557
   96   3HG2  VAL  13          HG22      VAL  13  -6.387  -4.603  -4.603
   97    H    TYR  14           HN       TYR  14  -2.792  -2.294  -2.294
   98    HA   TYR  14           HA       TYR  14  -2.524  -2.907  -2.907
   99   1HB   TYR  14           HB2      TYR  14  -0.785  -1.377  -1.377
  100   2HB   TYR  14           HB1      TYR  14   0.084  -2.840  -2.840
  101    HD1  TYR  14           HD1      TYR  14  -0.910  -3.182  -3.182
  102    HD2  TYR  14           HD2      TYR  14   0.115   0.425   0.425
  103    HE1  TYR  14           HE1      TYR  14  -0.455  -2.082  -2.082
  104    HE2  TYR  14           HE2      TYR  14   0.621   1.523   1.523
  105    HH   TYR  14           HH       TYR  14   0.112  -0.125  -0.125
  106    H    HIS  15           HN       HIS  15  -2.406  -5.199  -5.199
  107    HA   HIS  15           HA       HIS  15  -3.278  -6.371  -6.371
  108   1HB   HIS  15           HB2      HIS  15  -3.072  -7.525  -7.525
  109   2HB   HIS  15           HB1      HIS  15  -3.707  -8.428  -8.428
  110    HD1  HIS  15           HD1      HIS  15  -4.696  -4.808  -4.808
  111    HD2  HIS  15           HD2      HIS  15  -6.312  -8.682  -8.682
  112    HE1  HIS  15           HE1      HIS  15  -7.151  -4.576  -4.576
  113    HE2  HIS  15           HE2      HIS  15  -8.082  -6.930  -6.930
  114    H    CYS  16           HN       CYS  16  -2.063  -7.605  -7.605
  115    HA   CYS  16           HA       CYS  16   0.621  -8.295  -8.295
  116   1HB   CYS  16           HB2      CYS  16   0.569  -7.186  -7.186
  117   2HB   CYS  16           HB1      CYS  16  -0.611  -8.381  -8.381
  118    H    PHE  17           HN       PHE  17   1.264 -10.503 -10.503
  119    HA   PHE  17           HA       PHE  17  -0.723 -12.492 -12.492
  120   1HB   PHE  17           HB2      PHE  17   0.671 -13.730 -13.730
  121   2HB   PHE  17           HB1      PHE  17  -0.818 -12.792 -12.792
  122    HD1  PHE  17           HD2      PHE  17  -0.762 -10.613 -10.613
  123    HD2  PHE  17           HD1      PHE  17   2.878 -12.758 -12.758
  124    HE1  PHE  17           HE2      PHE  17   0.402  -9.258  -9.258
  125    HE2  PHE  17           HE1      PHE  17   4.053 -11.376 -11.376
  126    HZ   PHE  17           HZ       PHE  17   2.816  -9.632  -9.632
  127    HA   PRO  18           HA       PRO  18   3.124 -13.116 -13.116
  128   1HB   PRO  18           HB2      PRO  18   1.968 -15.991 -15.991
  129   2HB   PRO  18           HB1      PRO  18   2.817 -15.120 -15.120
  130   1HG   PRO  18           HG1      PRO  18   0.087 -15.216 -15.216
  131   2HG   PRO  18           HG2      PRO  18   0.883 -13.612 -13.612
  132   1HD   PRO  18           HD1      PRO  18  -0.315 -14.663 -14.663
  133   2HD   PRO  18           HD2      PRO  18  -0.407 -13.002 -13.002
  134    H    GLY  19           HN       GLY  19   3.982 -12.881 -12.881
  135   1HA   GLY  19           HA2      GLY  19   6.145 -14.610 -14.610
  136   2HA   GLY  19           HA1      GLY  19   4.853 -14.980 -14.980
  137    H    SER  20           HN       SER  20   5.966 -12.100 -12.100
  138    HA   SER  20           HA       SER  20   4.514 -10.588 -10.588
  139   1HB   SER  20           HB2      SER  20   6.238  -9.696  -9.696
  140   2HB   SER  20           HB1      SER  20   4.705  -8.947  -8.947
  141    HG   SER  20           HG       SER  20   3.666 -10.946 -10.946
  142    H    SER  21           HN       SER  21   6.757 -11.391 -11.391
  143    HA   SER  21           HA       SER  21   8.808  -9.452  -9.452
  144   1HB   SER  21           HB2      SER  21   9.412 -10.393 -10.393
  145   2HB   SER  21           HB1      SER  21   9.583 -11.456 -11.456
  146    HG   SER  21           HG       SER  21   8.480 -12.504 -12.504
  147    H    GLY  22           HN       GLY  22   5.978  -9.872  -9.872
  148   1HA   GLY  22           HA2      GLY  22   6.412  -7.525  -7.525
  149   2HA   GLY  22           HA1      GLY  22   4.859  -8.427  -8.427
  150    H    CYS  23           HN       CYS  23   4.530  -8.244  -8.244
  151    HA   CYS  23           HA       CYS  23   3.342  -5.748  -5.748
  152   1HB   CYS  23           HB2      CYS  23   2.384  -7.581  -7.581
  153   2HB   CYS  23           HB1      CYS  23   3.958  -8.182  -8.182
  154    H    ASP  24           HN       ASP  24   6.515  -7.016  -7.016
  155    HA   ASP  24           HA       ASP  24   7.095  -4.650  -4.650
  156   1HB   ASP  24           HB2      ASP  24   8.243  -6.927  -6.927
  157   2HB   ASP  24           HB1      ASP  24   9.130  -6.606  -6.606
  158    H    THR  25           HN       THR  25   7.606  -5.635  -5.635
  159    HA   THR  25           HA       THR  25   9.370  -3.495  -3.495
  160    HB   THR  25           HB       THR  25   7.551  -5.064  -5.064
  161    HG1  THR  25           HG1      THR  25   8.891  -6.497  -6.497
  162   1HG2  THR  25          HG23      THR  25  10.194  -3.516  -3.516
  163   2HG2  THR  25          HG22      THR  25   9.293  -4.488  -4.488
  164   3HG2  THR  25          HG21      THR  25   8.569  -2.990  -2.990
  165    H    LEU  26           HN       LEU  26   5.794  -3.876  -3.876
  166    HA   LEU  26           HA       LEU  26   5.263  -1.460  -1.460
  167   1HB   LEU  26           HB2      LEU  26   3.591  -3.035  -3.035
  168   2HB   LEU  26           HB1      LEU  26   2.981  -1.597  -1.597
  169    HG   LEU  26           HG       LEU  26   4.179  -3.932  -3.932
  170   1HD1  LEU  26          HD11      LEU  26   1.279  -3.788  -3.788
  171   2HD1  LEU  26          HD13      LEU  26   1.886  -4.891  -4.891
  172   3HD1  LEU  26          HD12      LEU  26   2.526  -5.017  -5.017
  173   1HD2  LEU  26          HD21      LEU  26   3.863  -1.798  -1.798
  174   2HD2  LEU  26          HD23      LEU  26   2.732  -3.042  -3.042
  175   3HD2  LEU  26          HD22      LEU  26   2.138  -1.738  -1.738
  176    H    CYS  27           HN       CYS  27   5.725  -2.309  -2.309
  177    HA   CYS  27           HA       CYS  27   5.311   0.213   0.213
  178   1HB   CYS  27           HB2      CYS  27   5.764  -1.911  -1.911
  179   2HB   CYS  27           HB1      CYS  27   7.492  -1.776  -1.776
  180    H    LYS  28           HN       LYS  28   8.354  -1.086  -1.086
  181    HA   LYS  28           HA       LYS  28   9.875   1.200   1.200
  182   1HB   LYS  28           HB2      LYS  28  10.221  -0.836  -0.836
  183   2HB   LYS  28           HB1      LYS  28  11.451   0.404   0.404
  184   1HG   LYS  28           HG2      LYS  28  10.406  -1.773  -1.773
  185   2HG   LYS  28           HG1      LYS  28  11.880  -1.943  -1.943
  186   1HD   LYS  28           HD2      LYS  28  13.147  -0.623  -0.623
  187   2HD   LYS  28           HD1      LYS  28  11.853   0.562   0.562
  188   1HE   LYS  28           HE2      LYS  28  11.912  -2.248  -2.248
  189   2HE   LYS  28           HE1      LYS  28  12.612  -0.761  -0.761
  190   1HZ   LYS  28           HZ3      LYS  28  10.461   0.272   0.272
  191   2HZ   LYS  28           HZ2      LYS  28   9.782  -1.111  -1.111
  192   3HZ   LYS  28           HZ1      LYS  28  10.383  -1.178  -1.178
  193    H    GLU  29           HN       GLU  29   8.101   0.305   0.305
  194    HA   GLU  29           HA       GLU  29   9.000   2.633   2.633
  195   1HB   GLU  29           HB2      GLU  29   7.655   2.072   2.072
  196   2HB   GLU  29           HB1      GLU  29   8.310   0.550   0.550
  197   1HG   GLU  29           HG2      GLU  29   5.986   0.364   0.364
  198   2HG   GLU  29           HG1      GLU  29   5.436   1.664   1.664
  199    H    LYS  30           HN       LYS  30   6.609   2.408   2.408
  200    HA   LYS  30           HA       LYS  30   5.380   4.930   4.930
  201   1HB   LYS  30           HB2      LYS  30   4.593   3.044   3.044
  202   2HB   LYS  30           HB1      LYS  30   3.740   4.564   4.564
  203   1HG   LYS  30           HG2      LYS  30   4.037   2.081   2.081
  204   2HG   LYS  30           HG1      LYS  30   2.569   2.541   2.541
  205   1HD   LYS  30           HD2      LYS  30   3.810   4.161   4.161
  206   2HD   LYS  30           HD1      LYS  30   2.544   2.908   2.908
  207   1HE   LYS  30           HE2      LYS  30   1.426   5.029   5.029
  208   2HE   LYS  30           HE1      LYS  30   1.005   4.276   4.276
  209   1HZ   LYS  30           HZ3      LYS  30   3.159   6.280   6.280
  210   2HZ   LYS  30           HZ2      LYS  30   1.571   6.665   6.665
  211   3HZ   LYS  30           HZ1      LYS  30   2.538   5.706   5.706
  212    H    GLY  31           HN       GLY  31   8.106   4.028   4.028
  213   1HA   GLY  31           HA2      GLY  31   9.521   5.502   5.502
  214   2HA   GLY  31           HA1      GLY  31   8.189   6.665   6.665
  215    H    GLY  32           HN       GLY  32   8.013   3.253   3.253
  216   1HA   GLY  32           HA2      GLY  32   8.346   4.121   4.121
  217   2HA   GLY  32           HA1      GLY  32   7.796   2.525   2.525
  218    H    THR  33           HN       THR  33  10.062   3.341   3.341
  219    HA   THR  33           HA       THR  33  12.406   2.909   2.909
  220    HB   THR  33           HB       THR  33  12.273   3.795   3.795
  221    HG1  THR  33           HG1      THR  33  11.103   5.254   5.254
  222   1HG2  THR  33          HG21      THR  33  14.412   4.050   4.050
  223   2HG2  THR  33          HG23      THR  33  14.533   4.787   4.787
  224   3HG2  THR  33          HG22      THR  33  14.528   2.998   2.998
  225    H    SER  34           HN       SER  34  10.386   1.355   1.355
  226    HA   SER  34           HA       SER  34  11.866  -1.019  -1.019
  227   1HB   SER  34           HB2      SER  34  11.327  -0.252  -0.252
  228   2HB   SER  34           HB1      SER  34  12.258  -1.673  -1.673
  229    HG   SER  34           HG       SER  34  13.541   0.227   0.227
  230    H    GLY  35           HN       GLY  35  10.161  -2.800  -2.800
  231   1HA   GLY  35           HA2      GLY  35   7.613  -1.796  -1.796
  232   2HA   GLY  35           HA1      GLY  35   7.938  -2.490  -2.490
  233    H    HIS  36           HN       HIS  36   6.301  -4.205  -4.205
  234    HA   HIS  36           HA       HIS  36   7.611  -6.482  -6.482
  235   1HB   HIS  36           HB2      HIS  36   7.183  -7.342  -7.342
  236   2HB   HIS  36           HB1      HIS  36   8.592  -6.276  -6.276
  237    HD1  HIS  36           HD1      HIS  36   8.511  -4.020  -4.020
  238    HD2  HIS  36           HD2      HIS  36   5.070  -6.347  -6.347
  239    HE1  HIS  36           HE1      HIS  36   7.232  -3.004  -3.004
  240    HE2  HIS  36           HE2      HIS  36   5.207  -4.468  -4.468
  241    H    CYS  37           HN       CYS  37   5.215  -7.439  -7.439
  242    HA   CYS  37           HA       CYS  37   3.002  -6.425  -6.425
  243   1HB   CYS  37           HB2      CYS  37   3.862  -8.229  -8.229
  244   2HB   CYS  37           HB1      CYS  37   4.065  -9.333  -9.333
  245    H    GLY  38           HN       GLY  38   1.095  -7.219  -7.219
  246   1HA   GLY  38           HA2      GLY  38   1.319  -8.810  -8.810
  247   2HA   GLY  38           HA1      GLY  38   1.636  -7.060  -7.060
  248    H    PHE  39           HN       PHE  39  -0.980  -7.734  -7.734
  249    HA   PHE  39           HA       PHE  39  -2.490  -6.243  -6.243
  250   1HB   PHE  39           HB2      PHE  39  -2.800  -8.571  -8.571
  251   2HB   PHE  39           HB1      PHE  39  -3.180  -9.211  -9.211
  252    HD1  PHE  39           HD2      PHE  39  -4.377  -6.434  -6.434
  253    HD2  PHE  39           HD1      PHE  39  -5.418  -9.474  -9.474
  254    HE1  PHE  39           HE2      PHE  39  -6.782  -6.123  -6.123
  255    HE2  PHE  39           HE1      PHE  39  -7.811  -9.091  -9.091
  256    HZ   PHE  39           HZ       PHE  39  -8.489  -7.452  -7.452
  257    H    LYS  40           HN       LYS  40  -3.906  -5.154  -5.154
  258    HA   LYS  40           HA       LYS  40  -5.176  -6.041  -6.041
  259   1HB   LYS  40           HB2      LYS  40  -2.989  -3.865  -3.865
  260   2HB   LYS  40           HB1      LYS  40  -4.413  -4.069  -4.069
  261   1HG   LYS  40           HG2      LYS  40  -2.181  -6.145  -6.145
  262   2HG   LYS  40           HG1      LYS  40  -2.268  -4.955  -4.955
  263   1HD   LYS  40           HD2      LYS  40  -4.396  -7.138  -7.138
  264   2HD   LYS  40           HD1      LYS  40  -3.004  -7.250  -7.250
  265   1HE   LYS  40           HE2      LYS  40  -3.878  -5.118  -5.118
  266   2HE   LYS  40           HE1      LYS  40  -5.392  -5.301  -5.301
  267   1HZ   LYS  40           HZ2      LYS  40  -5.669  -7.496  -7.496
  268   2HZ   LYS  40           HZ1      LYS  40  -4.245  -7.308  -7.308
  269   3HZ   LYS  40           HZ3      LYS  40  -5.573  -6.301  -6.301
  270    H    VAL  41           HN       VAL  41  -6.306  -5.444  -5.444
  271    HA   VAL  41           HA       VAL  41  -6.688  -2.606  -2.606
  272    HB   VAL  41           HB       VAL  41  -6.035  -4.373  -4.373
  273   1HG1  VAL  41          HG11      VAL  41  -6.223  -1.349  -1.349
  274   2HG1  VAL  41          HG13      VAL  41  -5.770  -2.170  -2.170
  275   3HG1  VAL  41          HG12      VAL  41  -7.430  -2.377  -2.377
  276   1HG2  VAL  41          HG22      VAL  41  -4.144  -2.566  -2.566
  277   2HG2  VAL  41          HG21      VAL  41  -3.902  -4.298  -4.298
  278   3HG2  VAL  41          HG23      VAL  41  -3.836  -3.015  -3.015
  279    H    GLY  42           HN       GLY  42  -8.827  -2.460  -2.460
  280   1HA   GLY  42           HA2      GLY  42 -10.328  -4.993  -4.993
  281   2HA   GLY  42           HA1      GLY  42 -11.021  -3.330  -3.330
  282    H    HIS  43           HN       HIS  43  -9.603  -5.607  -5.607
  283    HA   HIS  43           HA       HIS  43 -10.704  -4.535  -4.535
  284   1HB   HIS  43           HB2      HIS  43  -7.745  -3.745  -3.745
  285   2HB   HIS  43           HB1      HIS  43  -8.381  -3.951  -3.951
  286    HD1  HIS  43           HD1      HIS  43 -10.226  -2.292  -2.292
  287    HD2  HIS  43           HD2      HIS  43  -7.994  -1.090  -1.090
  288    HE1  HIS  43           HE1      HIS  43 -10.171   0.244   0.244
  289    HE2  HIS  43           HE2      HIS  43  -8.890   0.909   0.909
  290    H    GLY  44           HN       GLY  44  -8.284  -5.729  -5.729
  291   1HA   GLY  44           HA2      GLY  44  -8.902  -8.456  -8.456
  292   2HA   GLY  44           HA1      GLY  44  -7.914  -7.817  -7.817
  293    H    LEU  45           HN       LEU  45  -5.678  -6.840  -6.840
  294    HA   LEU  45           HA       LEU  45  -4.552  -7.508  -7.508
  295   1HB   LEU  45           HB2      LEU  45  -4.623  -9.698  -9.698
  296   2HB   LEU  45           HB1      LEU  45  -3.015  -9.001  -9.001
  297    HG   LEU  45           HG       LEU  45  -3.825  -9.315  -9.315
  298   1HD1  LEU  45          HD12      LEU  45  -4.899 -11.305 -11.305
  299   2HD1  LEU  45          HD11      LEU  45  -3.371 -11.814 -11.814
  300   3HD1  LEU  45          HD13      LEU  45  -3.463 -11.763 -11.763
  301   1HD2  LEU  45          HD21      LEU  45  -1.466  -8.619  -8.619
  302   2HD2  LEU  45          HD23      LEU  45  -1.526 -10.147 -10.147
  303   3HD2  LEU  45          HD22      LEU  45  -1.255 -10.213 -10.213
  304    H    ALA  46           HN       ALA  46  -2.212  -6.311  -6.311
  305    HA   ALA  46           HA       ALA  46  -2.545  -4.493  -4.493
  306   1HB   ALA  46           HB3      ALA  46  -2.314  -3.632  -3.632
  307   2HB   ALA  46           HB2      ALA  46  -2.277  -2.535  -2.535
  308   3HB   ALA  46           HB1      ALA  46  -3.787  -3.405  -3.405
  309    H    CYS  47           HN       CYS  47  -0.298  -3.099  -3.099
  310    HA   CYS  47           HA       CYS  47   1.715  -5.161  -5.161
  311   1HB   CYS  47           HB2      CYS  47   1.936  -2.879  -2.879
  312   2HB   CYS  47           HB1      CYS  47   3.311  -3.889  -3.889
  313    H    TRP  48           HN       TRP  48   3.653  -4.184  -4.184
  314    HA   TRP  48           HA       TRP  48   2.671  -1.759  -1.759
  315   1HB   TRP  48           HB2      TRP  48   3.264  -3.484  -3.484
  316   2HB   TRP  48           HB1      TRP  48   4.847  -3.725  -3.725
  317    HD1  TRP  48           HD1      TRP  48   6.817  -1.945  -1.945
  318    HE1  TRP  48           HE1      TRP  48   7.118  -0.269  -0.269
  319    HE3  TRP  48           HE3      TRP  48   2.000  -1.831  -1.831
  320    HZ2  TRP  48           HZ2      TRP  48   5.483   0.927   0.927
  321    HZ3  TRP  48           HZ3      TRP  48   1.422  -0.447  -0.447
  322    HH2  TRP  48           HH2      TRP  48   3.150   0.894   0.894
  323    H    CYS  49           HN       CYS  49   4.067   0.145   0.145
  324    HA   CYS  49           HA       CYS  49   6.515  -0.133  -0.133
  325   1HB   CYS  49           HB2      CYS  49   4.504   2.147   2.147
  326   2HB   CYS  49           HB1      CYS  49   6.255   2.208   2.208
  327    H    ASN  50           HN       ASN  50   8.105   1.068   1.068
  328    HA   ASN  50           HA       ASN  50   7.386   2.578   2.578
  329   1HB   ASN  50           HB2      ASN  50   9.222   0.364   0.364
  330   2HB   ASN  50           HB1      ASN  50  10.282   1.799   1.799
  331   1HD2  ASN  50          HD21      ASN  50   9.659   2.652   2.652
  332   2HD2  ASN  50          HD22      ASN  50  10.074   3.342   3.342
  333    H    ALA  51           HN       ALA  51   7.819   4.698   4.698
  334    HA   ALA  51           HA       ALA  51   8.432   6.572   6.572
  335   1HB   ALA  51           HB1      ALA  51  10.771   5.948   5.948
  336   2HB   ALA  51           HB3      ALA  51  10.905   5.228   5.228
  337   3HB   ALA  51           HB2      ALA  51  10.659   7.005   7.005
  338    H    LEU  52           HN       LEU  52   6.482   6.381   6.381
  339    HA   LEU  52           HA       LEU  52   7.045   6.568   6.568
  340   1HB   LEU  52           HB2      LEU  52   4.399   6.391   6.391
  341   2HB   LEU  52           HB1      LEU  52   4.447   7.128   7.128
  342    HG   LEU  52           HG       LEU  52   5.543   4.328   4.328
  343   1HD1  LEU  52          HD12      LEU  52   2.688   5.092   5.092
  344   2HD1  LEU  52          HD11      LEU  52   3.377   3.424   3.424
  345   3HD1  LEU  52          HD13      LEU  52   3.158   4.296   4.296
  346   1HD2  LEU  52          HD21      LEU  52   6.216   5.475   5.475
  347   2HD2  LEU  52          HD23      LEU  52   5.279   3.968   3.968
  348   3HD2  LEU  52          HD22      LEU  52   4.490   5.574   5.574
  349    HA   PRO  53           HA       PRO  53   7.149  10.837  10.837
  350   1HB   PRO  53           HB2      PRO  53   6.871  12.139  12.139
  351   2HB   PRO  53           HB1      PRO  53   8.368  11.275  11.275
  352   1HG   PRO  53           HG1      PRO  53   6.137  10.250  10.250
  353   2HG   PRO  53           HG2      PRO  53   7.932  10.094  10.094
  354   1HD   PRO  53           HD1      PRO  53   6.279   8.080   8.080
  355   2HD   PRO  53           HD2      PRO  53   8.010   8.284   8.284
  356    H    ASP  54           HN       ASP  54   5.755  12.868  12.868
  357    HA   ASP  54           HA       ASP  54   3.305  11.937  11.937
  358   1HB   ASP  54           HB2      ASP  54   4.395  14.761  14.761
  359   2HB   ASP  54           HB1      ASP  54   2.936  14.378  14.378
  360    H    ASN  55           HN       ASN  55   3.989  12.510  12.510
  361    HA   ASN  55           HA       ASN  55   1.427  13.813  13.813
  362   1HB   ASN  55           HB2      ASN  55   2.338  14.094  14.094
  363   2HB   ASN  55           HB1      ASN  55   3.455  14.803  14.803
  364   1HD2  ASN  55          HD21      ASN  55   4.806  11.788  11.788
  365   2HD2  ASN  55          HD22      ASN  55   3.268  12.554  12.554
  366    H    VAL  56           HN       VAL  56   2.336  10.727  10.727
  367    HA   VAL  56           HA       VAL  56   0.942   9.563   9.563
  368    HB   VAL  56           HB       VAL  56   2.313   7.988   7.988
  369   1HG1  VAL  56          HG13      VAL  56   1.576   7.423   7.423
  370   2HG1  VAL  56          HG12      VAL  56   2.600   6.353   6.353
  371   3HG1  VAL  56          HG11      VAL  56   0.882   6.619   6.619
  372   1HG2  VAL  56          HG22      VAL  56   3.529   9.347   9.347
  373   2HG2  VAL  56          HG21      VAL  56   4.051   9.541   9.541
  374   3HG2  VAL  56          HG23      VAL  56   4.323   7.981   7.981
  375    H    GLY  57           HN       GLY  57  -0.845   7.761   7.761
  376   1HA   GLY  57           HA2      GLY  57  -1.993   8.548   8.548
  377   2HA   GLY  57           HA1      GLY  57  -2.964   8.790   8.790
  378    H    ILE  58           HN       ILE  58  -3.511   6.568   6.568
  379    HA   ILE  58           HA       ILE  58  -2.457   4.188   4.188
  380    HB   ILE  58           HB       ILE  58  -1.337   3.571   3.571
  381   1HG1  ILE  58          HG12      ILE  58  -1.518   6.584   6.584
  382   2HG1  ILE  58          HG11      ILE  58  -2.474   5.306   5.306
  383   1HG2  ILE  58          HG22      ILE  58  -0.123   4.480   4.480
  384   2HG2  ILE  58          HG21      ILE  58   0.039   6.033   6.033
  385   3HG2  ILE  58          HG23      ILE  58   0.773   4.531   4.531
  386   1HD1  ILE  58          HD12      ILE  58  -0.343   4.238   4.238
  387   2HD1  ILE  58          HD11      ILE  58   0.607   5.583   5.583
  388   3HD1  ILE  58          HD13      ILE  58  -0.551   5.922   5.922
  389    H    ILE  59           HN       ILE  59  -2.993   2.936   2.936
  390    HA   ILE  59           HA       ILE  59  -5.724   2.661   2.661
  391    HB   ILE  59           HB       ILE  59  -4.453   2.269   2.269
  392   1HG1  ILE  59          HG12      ILE  59  -2.947   1.033   1.033
  393   2HG1  ILE  59          HG11      ILE  59  -4.106  -0.094  -0.094
  394   1HG2  ILE  59          HG23      ILE  59  -6.833   1.046   1.046
  395   2HG2  ILE  59          HG22      ILE  59  -6.304   0.547   0.547
  396   3HG2  ILE  59          HG21      ILE  59  -6.938   2.195   2.195
  397   1HD1  ILE  59          HD13      ILE  59  -5.371   0.026   0.026
  398   2HD1  ILE  59          HD12      ILE  59  -3.753   0.618   0.618
  399   3HD1  ILE  59          HD11      ILE  59  -3.904  -0.998  -0.998
  400    H    VAL  60           HN       VAL  60  -7.324   4.006   4.006
  401    HA   VAL  60           HA       VAL  60  -6.594   6.396   6.396
  402    HB   VAL  60           HB       VAL  60  -7.280   5.960   5.960
  403   1HG1  VAL  60          HG11      VAL  60  -9.717   5.953   5.953
  404   2HG1  VAL  60          HG13      VAL  60  -9.547   7.580   7.580
  405   3HG1  VAL  60          HG12      VAL  60  -9.240   7.367   7.367
  406   1HG2  VAL  60          HG22      VAL  60  -5.696   7.569   7.569
  407   2HG2  VAL  60          HG21      VAL  60  -6.885   8.387   8.387
  408   3HG2  VAL  60          HG23      VAL  60  -7.048   8.549   8.549
  409    H    GLU  61           HN       GLU  61  -8.559   3.800   3.800
  410    HA   GLU  61           HA       GLU  61  -9.744   4.496   4.496
  411   1HB   GLU  61           HB2      GLU  61 -11.281   5.679   5.679
  412   2HB   GLU  61           HB1      GLU  61 -12.038   4.063   4.063
  413   1HG   GLU  61           HG2      GLU  61 -11.722   6.071   6.071
  414   2HG   GLU  61           HG1      GLU  61 -13.189   5.834   5.834
  415    H    GLY  62           HN       GLY  62 -11.201   2.338   2.338
  416   1HA   GLY  62           HA2      GLY  62 -10.216   0.177   0.177
  417   2HA   GLY  62           HA1      GLY  62 -10.677   0.051   0.051
  418    H    GLU  63           HN       GLU  63 -11.888   0.756   0.756
  419    HA   GLU  63           HA       GLU  63 -14.564   0.063   0.063
  420   1HB   GLU  63           HB2      GLU  63 -14.446   2.491   2.491
  421   2HB   GLU  63           HB1      GLU  63 -13.895   2.878   2.878
  422   1HG   GLU  63           HG2      GLU  63 -16.143   1.997   1.997
  423   2HG   GLU  63           HG1      GLU  63 -16.606   1.622   1.622
  424    H    LYS  64           HN       LYS  64 -13.374   2.067   2.067
  425    HA   LYS  64           HA       LYS  64 -13.220  -0.183  -0.183
  426   1HB   LYS  64           HB2      LYS  64 -15.813   0.283   0.283
  427   2HB   LYS  64           HB1      LYS  64 -15.564   1.732   1.732
  428   1HG   LYS  64           HG2      LYS  64 -14.800   0.074   0.074
  429   2HG   LYS  64           HG1      LYS  64 -15.087  -1.245  -1.245
  430   1HD   LYS  64           HD2      LYS  64 -17.040  -1.298  -1.298
  431   2HD   LYS  64           HD1      LYS  64 -17.543  -0.280  -0.280
  432   1HE   LYS  64           HE2      LYS  64 -16.729   0.693   0.693
  433   2HE   LYS  64           HE1      LYS  64 -18.409   0.568   0.568
  434   1HZ   LYS  64           HZ2      LYS  64 -17.712   2.203   2.203
  435   2HZ   LYS  64           HZ1      LYS  64 -16.266   2.433   2.433
  436   3HZ   LYS  64           HZ3      LYS  64 -17.756   2.779   2.779
  437    H    CYS  65           HN       CYS  65 -13.794   1.491   1.491
  438    HA   CYS  65           HA       CYS  65 -11.410   3.178   3.178
  439   1HB   CYS  65           HB2      CYS  65 -11.058   0.929   0.929
  440   2HB   CYS  65           HB1      CYS  65 -12.435   1.270   1.270
  441    H    HIS  66           HN       HIS  66 -11.500   4.987   4.987
  442    HA   HIS  66           HA       HIS  66 -14.223   5.642   5.642
  443   1HB   HIS  66           HB2      HIS  66 -13.723   8.047   8.047
  444   2HB   HIS  66           HB1      HIS  66 -13.749   7.169   7.169
  445    HD1  HIS  66           HD1      HIS  66 -11.408   6.852   6.852
  446    HD2  HIS  66           HD2      HIS  66 -11.288   9.297   9.297
  447    HE1  HIS  66           HE1      HIS  66  -9.223   8.139   8.139
  448    HE2  HIS  66           HE2      HIS  66  -9.187   9.585   9.585
  449    H    SER  67           HN       SER  67 -13.001   8.049   8.049
  450    HA   SER  67           HA       SER  67 -10.915   7.324   7.324
  451   1HB   SER  67           HB2      SER  67 -13.777   7.094   7.094
  452   2HB   SER  67           HB1      SER  67 -12.311   7.399   7.399
  453    HG   SER  67           HG       SER  67 -12.325   5.244   5.244
  454   1HN   NH2  68           H1       NH2  68 -11.125   9.480   9.480
  455   2HN   NH2  68           H2       NH2  68 -11.877  10.841  10.841

  Start of MODEL   10
    1   1H    VAL   1           HT1      VAL   1   6.900  12.523  12.523
    2   2H    VAL   1           HT3      VAL   1   8.493  12.252  12.252
    3   3H    VAL   1           HT2      VAL   1   7.365  13.000  13.000
    4    HA   VAL   1           HA       VAL   1   6.557  11.145  11.145
    5    HB   VAL   1           HB       VAL   1   7.924   9.052   9.052
    6   1HG1  VAL   1          HG13      VAL   1   8.475  10.794  10.794
    7   2HG1  VAL   1          HG12      VAL   1   9.599  11.587  11.587
    8   3HG1  VAL   1          HG11      VAL   1   9.921   9.908   9.908
    9   1HG2  VAL   1          HG22      VAL   1   8.557   9.430   9.430
   10   2HG2  VAL   1          HG21      VAL   1   9.970   9.106   9.106
   11   3HG2  VAL   1          HG23      VAL   1   9.632  10.783  10.783
   12    H    ARG   2           HN       ARG   2   5.655   8.835   8.835
   13    HA   ARG   2           HA       ARG   2   4.612   8.779   8.779
   14   1HB   ARG   2           HB2      ARG   2   2.598   7.584   7.584
   15   2HB   ARG   2           HB1      ARG   2   2.676   9.224   9.224
   16   1HG   ARG   2           HG2      ARG   2   3.963   7.169   7.169
   17   2HG   ARG   2           HG1      ARG   2   2.248   6.809   6.809
   18   1HD   ARG   2           HD2      ARG   2   3.134   9.609   9.609
   19   2HD   ARG   2           HD1      ARG   2   2.898   8.214   8.214
   20    HE   ARG   2           HE       ARG   2   0.594   8.249   8.249
   21   1HH1  ARG   2          HH11      ARG   2   2.099  10.826  10.826
   22   2HH1  ARG   2          HH12      ARG   2   0.590  11.616  11.616
   23   1HH2  ARG   2          HH21      ARG   2  -1.398   9.249   9.249
   24   2HH2  ARG   2          HH22      ARG   2  -1.411  10.721  10.721
   25    H    ASP   3           HN       ASP   3   3.915   6.268   6.268
   26    HA   ASP   3           HA       ASP   3   5.437   4.450   4.450
   27   1HB   ASP   3           HB2      ASP   3   5.075   4.054   4.054
   28   2HB   ASP   3           HB1      ASP   3   5.970   3.006   3.006
   29    H    GLY   4           HN       GLY   4   3.673   2.682   2.682
   30   1HA   GLY   4           HA2      GLY   4   1.375   2.960   2.960
   31   2HA   GLY   4           HA1      GLY   4   1.188   3.699   3.699
   32    H    TYR   5           HN       TYR   5  -0.382   1.523   1.523
   33    HA   TYR   5           HA       TYR   5   0.910  -0.607  -0.607
   34   1HB   TYR   5           HB2      TYR   5  -1.988  -0.175  -0.175
   35   2HB   TYR   5           HB1      TYR   5  -1.555  -1.401  -1.401
   36    HD1  TYR   5           HD2      TYR   5  -1.019  -0.390  -0.390
   37    HD2  TYR   5           HD1      TYR   5  -0.611  -3.475  -3.475
   38    HE1  TYR   5           HE2      TYR   5  -0.702  -2.067  -2.067
   39    HE2  TYR   5           HE1      TYR   5  -0.313  -5.136  -5.136
   40    HH   TYR   5           HH       TYR   5  -1.081  -5.429  -5.429
   41    H    ILE   6           HN       ILE   6   0.711  -0.404  -0.404
   42    HA   ILE   6           HA       ILE   6  -0.179   2.279   2.279
   43    HB   ILE   6           HB       ILE   6   2.135   1.839   1.839
   44   1HG1  ILE   6          HG12      ILE   6   0.180   2.311   2.311
   45   2HG1  ILE   6          HG11      ILE   6   0.959   3.524   3.524
   46   1HG2  ILE   6          HG21      ILE   6   1.999  -0.600  -0.600
   47   2HG2  ILE   6          HG23      ILE   6   1.066  -0.320  -0.320
   48   3HG2  ILE   6          HG22      ILE   6   2.774   0.241   0.241
   49   1HD1  ILE   6          HD13      ILE   6   3.225   2.807   2.807
   50   2HD1  ILE   6          HD12      ILE   6   2.308   1.765   1.765
   51   3HD1  ILE   6          HD11      ILE   6   2.070   3.541   3.541
   52    H    ALA   7           HN       ALA   7  -1.668   2.596   2.596
   53    HA   ALA   7           HA       ALA   7  -3.529   0.471   0.471
   54   1HB   ALA   7           HB3      ALA   7  -3.849   3.549   3.549
   55   2HB   ALA   7           HB2      ALA   7  -5.178   2.367   2.367
   56   3HB   ALA   7           HB1      ALA   7  -4.461   2.475   2.475
   57    H    GLN   8           HN       GLN   8  -4.700   2.392   2.392
   58    HA   GLN   8           HA       GLN   8  -2.706   2.474   2.474
   59   1HB   GLN   8           HB2      GLN   8  -5.727   1.797   1.797
   60   2HB   GLN   8           HB1      GLN   8  -4.640   2.203   2.203
   61   1HG   GLN   8           HG2      GLN   8  -3.304   0.186   0.186
   62   2HG   GLN   8           HG1      GLN   8  -4.129  -0.171  -0.171
   63   1HE2  GLN   8          HE21      GLN   8  -6.883  -1.835  -1.835
   64   2HE2  GLN   8          HE22      GLN   8  -6.006  -1.403  -1.403
   65    HA   PRO   9           HA       PRO   9  -3.076   5.810   5.810
   66   1HB   PRO   9           HB2      PRO   9  -2.250   7.890   7.890
   67   2HB   PRO   9           HB1      PRO   9  -1.289   6.387   6.387
   68   1HG   PRO   9           HG1      PRO   9  -3.298   6.889   6.889
   69   2HG   PRO   9           HG2      PRO   9  -1.564   6.367   6.367
   70   1HD   PRO   9           HD1      PRO   9  -3.579   4.499   4.499
   71   2HD   PRO   9           HD2      PRO   9  -2.048   4.205   4.205
   72    H    GLU  10           HN       GLU  10  -5.823   5.469   5.469
   73    HA   GLU  10           HA       GLU  10  -6.931   8.211   8.211
   74   1HB   GLU  10           HB2      GLU  10  -7.978   5.501   5.501
   75   2HB   GLU  10           HB1      GLU  10  -9.069   6.869   6.869
   76   1HG   GLU  10           HG2      GLU  10  -6.741   7.054   7.054
   77   2HG   GLU  10           HG1      GLU  10  -8.427   6.584   6.584
   78    H    ASN  11           HN       ASN  11  -8.377   5.019   5.019
   79    HA   ASN  11           HA       ASN  11  -7.203   4.815   4.815
   80   1HB   ASN  11           HB2      ASN  11  -9.233   6.314   6.314
   81   2HB   ASN  11           HB1      ASN  11 -10.306   5.163   5.163
   82   1HD2  ASN  11          HD21      ASN  11 -10.467   4.280   4.280
   83   2HD2  ASN  11          HD22      ASN  11 -11.304   5.076   5.076
   84    H    CYS  12           HN       CYS  12  -7.306   2.527   2.527
   85    HA   CYS  12           HA       CYS  12  -9.087   0.836   0.836
   86   1HB   CYS  12           HB2      CYS  12  -6.742   1.538   1.538
   87   2HB   CYS  12           HB1      CYS  12  -7.421  -0.113  -0.113
   88    H    VAL  13           HN       VAL  13  -7.026  -1.211  -1.211
   89    HA   VAL  13           HA       VAL  13  -4.980  -0.746  -0.746
   90    HB   VAL  13           HB       VAL  13  -4.798  -3.239  -3.239
   91   1HG1  VAL  13          HG13      VAL  13  -7.395  -1.931  -1.931
   92   2HG1  VAL  13          HG12      VAL  13  -6.803  -3.553  -3.553
   93   3HG1  VAL  13          HG11      VAL  13  -5.821  -2.092  -2.092
   94   1HG2  VAL  13          HG22      VAL  13  -7.516  -3.258  -3.258
   95   2HG2  VAL  13          HG21      VAL  13  -5.957  -3.989  -3.989
   96   3HG2  VAL  13          HG23      VAL  13  -6.788  -4.656  -4.656
   97    H    TYR  14           HN       TYR  14  -2.976  -1.921  -1.921
   98    HA   TYR  14           HA       TYR  14  -3.330  -2.054  -2.054
   99   1HB   TYR  14           HB2      TYR  14  -0.975  -1.574  -1.574
  100   2HB   TYR  14           HB1      TYR  14  -0.722  -3.122  -3.122
  101    HD1  TYR  14           HD2      TYR  14  -2.070  -2.587  -2.587
  102    HD2  TYR  14           HD1      TYR  14   0.564  -0.164  -0.164
  103    HE1  TYR  14           HE2      TYR  14  -1.290  -1.438  -1.438
  104    HE2  TYR  14           HE1      TYR  14   1.345   0.982   0.982
  105    HH   TYR  14           HH       TYR  14   0.075   0.185   0.185
  106    H    HIS  15           HN       HIS  15  -2.370  -4.409  -4.409
  107    HA   HIS  15           HA       HIS  15  -3.821  -6.329  -6.329
  108   1HB   HIS  15           HB2      HIS  15  -3.023  -6.317  -6.317
  109   2HB   HIS  15           HB1      HIS  15  -3.375  -7.844  -7.844
  110    HD1  HIS  15           HD1      HIS  15  -5.196  -4.485  -4.485
  111    HD2  HIS  15           HD2      HIS  15  -5.985  -8.583  -8.583
  112    HE1  HIS  15           HE1      HIS  15  -7.714  -4.785  -4.785
  113    HE2  HIS  15           HE2      HIS  15  -8.139  -7.271  -7.271
  114    H    CYS  16           HN       CYS  16  -2.466  -8.444  -8.444
  115    HA   CYS  16           HA       CYS  16   0.270  -8.199  -8.199
  116   1HB   CYS  16           HB2      CYS  16  -0.980  -7.043  -7.043
  117   2HB   CYS  16           HB1      CYS  16  -0.357  -8.632  -8.632
  118    H    PHE  17           HN       PHE  17   0.707 -10.405 -10.405
  119    HA   PHE  17           HA       PHE  17  -1.208 -12.333 -12.333
  120   1HB   PHE  17           HB2      PHE  17   1.821 -12.411 -12.411
  121   2HB   PHE  17           HB1      PHE  17   0.484 -13.371 -13.371
  122    HD1  PHE  17           HD2      PHE  17  -1.304 -11.952 -11.952
  123    HD2  PHE  17           HD1      PHE  17   2.564 -10.432 -10.432
  124    HE1  PHE  17           HE2      PHE  17  -1.452 -10.223 -10.223
  125    HE2  PHE  17           HE1      PHE  17   2.399  -8.710  -8.710
  126    HZ   PHE  17           HZ       PHE  17   0.389  -8.593  -8.593
  127    HA   PRO  18           HA       PRO  18   1.175 -13.232 -13.232
  128   1HB   PRO  18           HB2      PRO  18   1.416 -15.995 -15.995
  129   2HB   PRO  18           HB1      PRO  18  -0.171 -15.156 -15.156
  130   1HG   PRO  18           HG1      PRO  18   1.014 -16.393 -16.393
  131   2HG   PRO  18           HG2      PRO  18  -0.622 -16.699 -16.699
  132   1HD   PRO  18           HD1      PRO  18  -0.226 -14.835 -14.835
  133   2HD   PRO  18           HD2      PRO  18  -1.408 -14.507 -14.507
  134    H    GLY  19           HN       GLY  19   2.830 -12.230 -12.230
  135   1HA   GLY  19           HA2      GLY  19   5.312 -13.292 -13.292
  136   2HA   GLY  19           HA1      GLY  19   4.758 -13.840 -13.840
  137    H    SER  20           HN       SER  20   6.714 -11.556 -11.556
  138    HA   SER  20           HA       SER  20   5.220  -9.198  -9.198
  139   1HB   SER  20           HB2      SER  20   8.198  -9.564  -9.564
  140   2HB   SER  20           HB1      SER  20   7.233  -8.044  -8.044
  141    HG   SER  20           HG       SER  20   7.552  -9.296  -9.296
  142    H    SER  21           HN       SER  21   6.367 -11.225 -11.225
  143    HA   SER  21           HA       SER  21   8.459 -10.234 -10.234
  144   1HB   SER  21           HB2      SER  21   6.041 -11.339 -11.339
  145   2HB   SER  21           HB1      SER  21   7.799 -11.634 -11.634
  146    HG   SER  21           HG       SER  21   6.917 -13.377 -13.377
  147    H    GLY  22           HN       GLY  22   5.073  -9.333  -9.333
  148   1HA   GLY  22           HA2      GLY  22   6.032  -7.462  -7.462
  149   2HA   GLY  22           HA1      GLY  22   4.334  -7.747  -7.747
  150    H    CYS  23           HN       CYS  23   4.911  -7.394  -7.394
  151    HA   CYS  23           HA       CYS  23   4.222  -4.711  -4.711
  152   1HB   CYS  23           HB2      CYS  23   3.532  -6.388  -6.388
  153   2HB   CYS  23           HB1      CYS  23   5.220  -6.726  -6.726
  154    H    ASP  24           HN       ASP  24   7.340  -6.384  -6.384
  155    HA   ASP  24           HA       ASP  24   8.724  -4.188  -4.188
  156   1HB   ASP  24           HB2      ASP  24   9.423  -6.673  -6.673
  157   2HB   ASP  24           HB1      ASP  24   9.919  -6.473  -6.473
  158    H    THR  25           HN       THR  25   8.322  -5.349  -5.349
  159    HA   THR  25           HA       THR  25   9.825  -3.197  -3.197
  160    HB   THR  25           HB       THR  25   8.426  -3.846  -3.846
  161    HG1  THR  25           HG1      THR  25   7.019  -5.233  -5.233
  162   1HG2  THR  25          HG23      THR  25  10.876  -4.260  -4.260
  163   2HG2  THR  25          HG22      THR  25  10.452  -5.712  -5.712
  164   3HG2  THR  25          HG21      THR  25  10.108  -5.685  -5.685
  165    H    LEU  26           HN       LEU  26   6.275  -3.513  -3.513
  166    HA   LEU  26           HA       LEU  26   5.557  -1.150  -1.150
  167   1HB   LEU  26           HB2      LEU  26   4.308  -2.503  -2.503
  168   2HB   LEU  26           HB1      LEU  26   3.579  -1.092  -1.092
  169    HG   LEU  26           HG       LEU  26   4.113  -3.786  -3.786
  170   1HD1  LEU  26          HD12      LEU  26   2.433  -4.023  -4.023
  171   2HD1  LEU  26          HD11      LEU  26   1.504  -2.626  -2.626
  172   3HD1  LEU  26          HD13      LEU  26   1.652  -4.140  -4.140
  173   1HD2  LEU  26          HD21      LEU  26   2.608  -1.262  -1.262
  174   2HD2  LEU  26          HD23      LEU  26   4.112  -1.955  -1.955
  175   3HD2  LEU  26          HD22      LEU  26   2.567  -2.863  -2.863
  176    H    CYS  27           HN       CYS  27   6.613  -1.863  -1.863
  177    HA   CYS  27           HA       CYS  27   6.194   0.612   0.612
  178   1HB   CYS  27           HB2      CYS  27   6.846  -1.602  -1.602
  179   2HB   CYS  27           HB1      CYS  27   8.549  -1.216  -1.216
  180    H    LYS  28           HN       LYS  28   9.148  -0.610  -0.610
  181    HA   LYS  28           HA       LYS  28  10.524   1.830   1.830
  182   1HB   LYS  28           HB2      LYS  28  11.201  -0.433  -0.433
  183   2HB   LYS  28           HB1      LYS  28  12.253   0.990   0.990
  184   1HG   LYS  28           HG2      LYS  28  12.232   0.362   0.362
  185   2HG   LYS  28           HG1      LYS  28  11.274  -1.091  -1.091
  186   1HD   LYS  28           HD2      LYS  28  13.574  -1.749  -1.749
  187   2HD   LYS  28           HD1      LYS  28  13.117  -1.979  -1.979
  188   1HE   LYS  28           HE2      LYS  28  15.438  -1.051  -1.051
  189   2HE   LYS  28           HE1      LYS  28  14.369   0.109   0.109
  190   1HZ   LYS  28           HZ3      LYS  28  14.986   0.226   0.226
  191   2HZ   LYS  28           HZ2      LYS  28  15.765   1.133   1.133
  192   3HZ   LYS  28           HZ1      LYS  28  14.107   1.357   1.357
  193    H    GLU  29           HN       GLU  29   8.424   0.750   0.750
  194    HA   GLU  29           HA       GLU  29   9.367   2.958   2.958
  195   1HB   GLU  29           HB2      GLU  29   7.687   2.463   2.463
  196   2HB   GLU  29           HB1      GLU  29   8.567   0.974   0.974
  197   1HG   GLU  29           HG2      GLU  29   6.650   0.349   0.349
  198   2HG   GLU  29           HG1      GLU  29   5.733   1.802   1.802
  199    H    LYS  30           HN       LYS  30   6.784   2.531   2.531
  200    HA   LYS  30           HA       LYS  30   5.687   5.138   5.138
  201   1HB   LYS  30           HB2      LYS  30   5.247   3.368   3.368
  202   2HB   LYS  30           HB1      LYS  30   4.382   4.899   4.899
  203   1HG   LYS  30           HG2      LYS  30   4.253   2.289   2.289
  204   2HG   LYS  30           HG1      LYS  30   2.969   2.971   2.971
  205   1HD   LYS  30           HD2      LYS  30   3.987   4.150   4.150
  206   2HD   LYS  30           HD1      LYS  30   2.531   3.150   3.150
  207   1HE   LYS  30           HE2      LYS  30   1.709   5.371   5.371
  208   2HE   LYS  30           HE1      LYS  30   1.622   4.986   4.986
  209   1HZ   LYS  30           HZ1      LYS  30   3.756   6.554   6.554
  210   2HZ   LYS  30           HZ3      LYS  30   2.474   7.187   7.187
  211   3HZ   LYS  30           HZ2      LYS  30   3.663   6.235   6.235
  212    H    GLY  31           HN       GLY  31   8.110   3.742   3.742
  213   1HA   GLY  31           HA2      GLY  31  10.027   5.010   5.010
  214   2HA   GLY  31           HA1      GLY  31   9.053   6.525   6.525
  215    H    GLY  32           HN       GLY  32   8.627   3.321   3.321
  216   1HA   GLY  32           HA2      GLY  32   9.230   4.589   4.589
  217   2HA   GLY  32           HA1      GLY  32   8.267   3.078   3.078
  218    H    THR  33           HN       THR  33  10.650   3.018   3.018
  219    HA   THR  33           HA       THR  33  12.923   2.672   2.672
  220    HB   THR  33           HB       THR  33  13.921   1.794   1.794
  221    HG1  THR  33           HG1      THR  33  12.673   2.067   2.067
  222   1HG2  THR  33          HG21      THR  33  12.589   4.590   4.590
  223   2HG2  THR  33          HG23      THR  33  13.916   4.170   4.170
  224   3HG2  THR  33          HG22      THR  33  14.203   4.118   4.118
  225    H    SER  34           HN       SER  34  10.837   0.361   0.361
  226    HA   SER  34           HA       SER  34  10.912  -1.474  -1.474
  227   1HB   SER  34           HB2      SER  34  12.522  -2.176  -2.176
  228   2HB   SER  34           HB1      SER  34  11.851  -3.425  -3.425
  229    HG   SER  34           HG       SER  34  13.312  -1.325  -1.325
  230    H    GLY  35           HN       GLY  35   9.653  -3.549  -3.549
  231   1HA   GLY  35           HA2      GLY  35   7.928  -2.484  -2.484
  232   2HA   GLY  35           HA1      GLY  35   7.290  -2.446  -2.446
  233    H    HIS  36           HN       HIS  36   5.903  -4.479  -4.479
  234    HA   HIS  36           HA       HIS  36   7.126  -6.826  -6.826
  235   1HB   HIS  36           HB2      HIS  36   6.316  -6.630  -6.630
  236   2HB   HIS  36           HB1      HIS  36   6.914  -8.092  -8.092
  237    HD1  HIS  36           HD1      HIS  36   8.005  -5.407  -5.407
  238    HD2  HIS  36           HD2      HIS  36   9.830  -7.682  -7.682
  239    HE1  HIS  36           HE1      HIS  36  10.510  -5.179  -5.179
  240    HE2  HIS  36           HE2      HIS  36  11.570  -6.563  -6.563
  241    H    CYS  37           HN       CYS  37   5.090  -8.492  -8.492
  242    HA   CYS  37           HA       CYS  37   2.671  -6.847  -6.847
  243   1HB   CYS  37           HB2      CYS  37   3.074  -9.888  -9.888
  244   2HB   CYS  37           HB1      CYS  37   1.463  -9.104  -9.104
  245    H    GLY  38           HN       GLY  38   0.700  -7.343  -7.343
  246   1HA   GLY  38           HA2      GLY  38   1.106  -8.722  -8.722
  247   2HA   GLY  38           HA1      GLY  38   1.292  -6.903  -6.903
  248    H    PHE  39           HN       PHE  39  -1.106  -7.573  -7.573
  249    HA   PHE  39           HA       PHE  39  -2.877  -6.520  -6.520
  250   1HB   PHE  39           HB2      PHE  39  -3.143  -9.069  -9.069
  251   2HB   PHE  39           HB1      PHE  39  -3.584  -9.267  -9.267
  252    HD1  PHE  39           HD1      PHE  39  -4.915  -6.237  -6.237
  253    HD2  PHE  39           HD2      PHE  39  -5.621 -10.356 -10.356
  254    HE1  PHE  39           HE1      PHE  39  -7.291  -5.957  -5.957
  255    HE2  PHE  39           HE2      PHE  39  -8.015 -10.054 -10.054
  256    HZ   PHE  39           HZ       PHE  39  -8.865  -7.863  -7.863
  257    H    LYS  40           HN       LYS  40  -5.018  -7.113  -7.113
  258    HA   LYS  40           HA       LYS  40  -4.540  -6.034  -6.034
  259   1HB   LYS  40           HB2      LYS  40  -5.980  -4.418  -4.418
  260   2HB   LYS  40           HB1      LYS  40  -6.021  -4.012  -4.012
  261   1HG   LYS  40           HG2      LYS  40  -3.694  -3.280  -3.280
  262   2HG   LYS  40           HG1      LYS  40  -3.467  -3.951  -3.951
  263   1HD   LYS  40           HD2      LYS  40  -3.711  -1.529  -1.529
  264   2HD   LYS  40           HD1      LYS  40  -5.082  -2.353  -2.353
  265   1HE   LYS  40           HE2      LYS  40  -6.562  -1.878  -1.878
  266   2HE   LYS  40           HE1      LYS  40  -5.173  -1.065  -1.065
  267   1HZ   LYS  40           HZ3      LYS  40  -6.365  -0.252  -0.252
  268   2HZ   LYS  40           HZ2      LYS  40  -6.671   0.461   0.461
  269   3HZ   LYS  40           HZ1      LYS  40  -5.115   0.541   0.541
  270    H    VAL  41           HN       VAL  41  -7.501  -5.204  -5.204
  271    HA   VAL  41           HA       VAL  41  -8.352  -7.344  -7.344
  272    HB   VAL  41           HB       VAL  41 -10.221  -6.345  -6.345
  273   1HG1  VAL  41          HG12      VAL  41 -10.199  -8.754  -8.754
  274   2HG1  VAL  41          HG11      VAL  41 -11.462  -8.463  -8.463
  275   3HG1  VAL  41          HG13      VAL  41 -11.265  -7.302  -7.302
  276   1HG2  VAL  41          HG22      VAL  41  -8.427  -8.863  -8.863
  277   2HG2  VAL  41          HG21      VAL  41  -8.385  -7.479  -7.479
  278   3HG2  VAL  41          HG23      VAL  41  -9.819  -8.559  -8.559
  279    H    GLY  42           HN       GLY  42 -10.093  -6.241  -6.241
  280   1HA   GLY  42           HA2      GLY  42 -10.601  -3.672  -3.672
  281   2HA   GLY  42           HA1      GLY  42  -8.824  -3.814  -3.814
  282    H    HIS  43           HN       HIS  43  -8.803  -3.997  -3.997
  283    HA   HIS  43           HA       HIS  43 -11.220  -4.951  -4.951
  284   1HB   HIS  43           HB2      HIS  43  -8.722  -3.708  -3.708
  285   2HB   HIS  43           HB1      HIS  43 -10.194  -4.033  -4.033
  286    HD1  HIS  43           HD1      HIS  43  -8.879  -1.201  -1.201
  287    HD2  HIS  43           HD2      HIS  43 -12.217  -2.672  -2.672
  288    HE1  HIS  43           HE1      HIS  43 -10.105   0.793   0.793
  289    HE2  HIS  43           HE2      HIS  43 -12.146  -0.132  -0.132
  290    H    GLY  44           HN       GLY  44  -7.759  -6.282  -6.282
  291   1HA   GLY  44           HA2      GLY  44  -8.884  -8.742  -8.742
  292   2HA   GLY  44           HA1      GLY  44  -8.038  -7.901  -7.901
  293    H    LEU  45           HN       LEU  45  -5.788  -6.936  -6.936
  294    HA   LEU  45           HA       LEU  45  -4.530  -8.125  -8.125
  295   1HB   LEU  45           HB2      LEU  45  -3.990  -9.325  -9.325
  296   2HB   LEU  45           HB1      LEU  45  -2.559  -8.375  -8.375
  297    HG   LEU  45           HG       LEU  45  -3.364  -9.859  -9.859
  298   1HD1  LEU  45          HD12      LEU  45  -4.838 -11.264 -11.264
  299   2HD1  LEU  45          HD11      LEU  45  -3.453 -11.681 -11.681
  300   3HD1  LEU  45          HD13      LEU  45  -3.452 -12.215 -12.215
  301   1HD2  LEU  45          HD22      LEU  45  -1.013  -9.339  -9.339
  302   2HD2  LEU  45          HD21      LEU  45  -1.237 -11.099 -11.099
  303   3HD2  LEU  45          HD23      LEU  45  -1.110 -10.503 -10.503
  304    H    ALA  46           HN       ALA  46  -2.084  -6.590  -6.590
  305    HA   ALA  46           HA       ALA  46  -2.866  -4.427  -4.427
  306   1HB   ALA  46           HB2      ALA  46  -2.384  -3.958  -3.958
  307   2HB   ALA  46           HB1      ALA  46  -2.445  -2.664  -2.664
  308   3HB   ALA  46           HB3      ALA  46  -3.916  -3.621  -3.621
  309    H    CYS  47           HN       CYS  47  -0.669  -2.855  -2.855
  310    HA   CYS  47           HA       CYS  47   1.534  -4.839  -4.839
  311   1HB   CYS  47           HB2      CYS  47   1.255  -4.248  -4.248
  312   2HB   CYS  47           HB1      CYS  47   1.033  -2.533  -2.533
  313    H    TRP  48           HN       TRP  48   3.495  -3.659  -3.659
  314    HA   TRP  48           HA       TRP  48   2.515  -1.400  -1.400
  315   1HB   TRP  48           HB2      TRP  48   2.648  -3.245  -3.245
  316   2HB   TRP  48           HB1      TRP  48   4.146  -3.863  -3.863
  317    HD1  TRP  48           HD1      TRP  48   6.470  -2.540  -2.540
  318    HE1  TRP  48           HE1      TRP  48   7.136  -0.720  -0.720
  319    HE3  TRP  48           HE3      TRP  48   1.863  -1.655  -1.655
  320    HZ2  TRP  48           HZ2      TRP  48   5.846   0.810   0.810
  321    HZ3  TRP  48           HZ3      TRP  48   1.633  -0.018  -0.018
  322    HH2  TRP  48           HH2      TRP  48   3.603   1.208   1.208
  323    H    CYS  49           HN       CYS  49   4.295   0.198   0.198
  324    HA   CYS  49           HA       CYS  49   6.725  -0.239  -0.239
  325   1HB   CYS  49           HB2      CYS  49   4.650   1.930   1.930
  326   2HB   CYS  49           HB1      CYS  49   6.402   2.248   2.248
  327    H    ASN  50           HN       ASN  50   8.324   1.300   1.300
  328    HA   ASN  50           HA       ASN  50   7.395   3.012   3.012
  329   1HB   ASN  50           HB2      ASN  50  10.062   1.508   1.508
  330   2HB   ASN  50           HB1      ASN  50   9.962   2.991   2.991
  331   1HD2  ASN  50          HD21      ASN  50   8.495   1.378   1.378
  332   2HD2  ASN  50          HD22      ASN  50   8.983   2.882   2.882
  333    H    ALA  51           HN       ALA  51   8.021   5.127   5.127
  334    HA   ALA  51           HA       ALA  51   8.769   6.959   6.959
  335   1HB   ALA  51           HB3      ALA  51  11.048   6.055   6.055
  336   2HB   ALA  51           HB2      ALA  51  11.058   5.462   5.462
  337   3HB   ALA  51           HB1      ALA  51  11.001   7.233   7.233
  338    H    LEU  52           HN       LEU  52   6.645   6.612   6.612
  339    HA   LEU  52           HA       LEU  52   7.269   6.731   6.731
  340   1HB   LEU  52           HB2      LEU  52   4.617   6.511   6.511
  341   2HB   LEU  52           HB1      LEU  52   4.668   6.976   6.976
  342    HG   LEU  52           HG       LEU  52   5.888   4.373   4.373
  343   1HD1  LEU  52          HD12      LEU  52   3.018   4.916   4.916
  344   2HD1  LEU  52          HD11      LEU  52   3.733   3.288   3.288
  345   3HD1  LEU  52          HD13      LEU  52   3.497   4.414   4.414
  346   1HD2  LEU  52          HD22      LEU  52   6.581   5.202   5.202
  347   2HD2  LEU  52          HD21      LEU  52   5.740   3.614   3.614
  348   3HD2  LEU  52          HD23      LEU  52   4.868   5.109   5.109
  349    HA   PRO  53           HA       PRO  53   6.785  11.152  11.152
  350   1HB   PRO  53           HB2      PRO  53   5.563  11.001  11.001
  351   2HB   PRO  53           HB1      PRO  53   6.817  12.157  12.157
  352   1HG   PRO  53           HG1      PRO  53   7.516  10.009  10.009
  353   2HG   PRO  53           HG2      PRO  53   8.526  10.438  10.438
  354   1HD   PRO  53           HD1      PRO  53   6.385   8.244   8.244
  355   2HD   PRO  53           HD2      PRO  53   8.011   8.198   8.198
  356    H    ASP  54           HN       ASP  54   5.061  12.873  12.873
  357    HA   ASP  54           HA       ASP  54   2.871  11.785  11.785
  358   1HB   ASP  54           HB2      ASP  54   3.368  14.620  14.620
  359   2HB   ASP  54           HB1      ASP  54   2.033  14.180  14.180
  360    H    ASN  55           HN       ASN  55   3.298  12.567  12.567
  361    HA   ASN  55           HA       ASN  55   0.439  12.785  12.785
  362   1HB   ASN  55           HB2      ASN  55   1.046  13.385  13.385
  363   2HB   ASN  55           HB1      ASN  55   1.839  14.465  14.465
  364   1HD2  ASN  55          HD21      ASN  55   4.197  12.755  12.755
  365   2HD2  ASN  55          HD22      ASN  55   2.535  13.217  13.217
  366    H    VAL  56           HN       VAL  56   1.963  10.151  10.151
  367    HA   VAL  56           HA       VAL  56   0.895   8.612   8.612
  368    HB   VAL  56           HB       VAL  56   2.618   7.515   7.515
  369   1HG1  VAL  56          HG13      VAL  56   1.822   6.511   6.511
  370   2HG1  VAL  56          HG12      VAL  56   2.918   5.653   5.653
  371   3HG1  VAL  56          HG11      VAL  56   1.191   5.896   5.896
  372   1HG2  VAL  56          HG21      VAL  56   3.533   8.732   8.732
  373   2HG2  VAL  56          HG23      VAL  56   4.043   9.187   9.187
  374   3HG2  VAL  56          HG22      VAL  56   4.534   7.601   7.601
  375    H    GLY  57           HN       GLY  57  -1.146   7.678   7.678
  376   1HA   GLY  57           HA2      GLY  57  -2.010   8.354   8.354
  377   2HA   GLY  57           HA1      GLY  57  -3.000   7.805   7.805
  378    H    ILE  58           HN       ILE  58  -3.252   6.679   6.679
  379    HA   ILE  58           HA       ILE  58  -2.222   4.027   4.027
  380    HB   ILE  58           HB       ILE  58  -1.454   3.919   3.919
  381   1HG1  ILE  58          HG12      ILE  58  -1.716   6.980   6.980
  382   2HG1  ILE  58          HG11      ILE  58  -2.843   5.815   5.815
  383   1HG2  ILE  58          HG23      ILE  58   0.139   4.433   4.433
  384   2HG2  ILE  58          HG22      ILE  58   0.046   6.168   6.168
  385   3HG2  ILE  58          HG21      ILE  58   0.739   4.974   4.974
  386   1HD1  ILE  58          HD11      ILE  58  -0.847   4.778   4.778
  387   2HD1  ILE  58          HD13      ILE  58   0.159   6.152   6.152
  388   3HD1  ILE  58          HD12      ILE  58  -1.246   6.465   6.465
  389    H    ILE  59           HN       ILE  59  -3.168   2.932   2.932
  390    HA   ILE  59           HA       ILE  59  -5.872   2.880   2.880
  391    HB   ILE  59           HB       ILE  59  -5.146   1.865   1.865
  392   1HG1  ILE  59          HG12      ILE  59  -3.215   1.088   1.088
  393   2HG1  ILE  59          HG11      ILE  59  -4.338  -0.249  -0.249
  394   1HG2  ILE  59          HG21      ILE  59  -6.934   0.914   0.914
  395   2HG2  ILE  59          HG23      ILE  59  -6.742   0.056   0.056
  396   3HG2  ILE  59          HG22      ILE  59  -7.462   1.705   1.705
  397   1HD1  ILE  59          HD11      ILE  59  -5.188  -0.053  -0.053
  398   2HD1  ILE  59          HD13      ILE  59  -3.759   1.000   1.000
  399   3HD1  ILE  59          HD12      ILE  59  -3.515  -0.696  -0.696
  400    H    VAL  60           HN       VAL  60  -7.538   4.098   4.098
  401    HA   VAL  60           HA       VAL  60  -7.119   5.794   5.794
  402    HB   VAL  60           HB       VAL  60  -8.678   6.175   6.175
  403   1HG1  VAL  60          HG13      VAL  60  -8.765   7.882   7.882
  404   2HG1  VAL  60          HG12      VAL  60  -9.467   8.324   8.324
  405   3HG1  VAL  60          HG11      VAL  60 -10.128   6.918   6.918
  406   1HG2  VAL  60          HG22      VAL  60  -6.227   6.687   6.687
  407   2HG2  VAL  60          HG21      VAL  60  -7.218   8.169   8.169
  408   3HG2  VAL  60          HG23      VAL  60  -6.395   7.797   7.797
  409    H    GLU  61           HN       GLU  61  -7.979   4.510   4.510
  410    HA   GLU  61           HA       GLU  61  -9.343   3.313   3.313
  411   1HB   GLU  61           HB2      GLU  61 -10.958   5.187   5.187
  412   2HB   GLU  61           HB1      GLU  61 -11.556   4.115   4.115
  413   1HG   GLU  61           HG2      GLU  61 -13.089   4.096   4.096
  414   2HG   GLU  61           HG1      GLU  61 -12.310   2.476   2.476
  415    H    GLY  62           HN       GLY  62 -11.707   2.198   2.198
  416   1HA   GLY  62           HA2      GLY  62 -10.320   0.542   0.542
  417   2HA   GLY  62           HA1      GLY  62 -11.057  -0.387  -0.387
  418    H    GLU  63           HN       GLU  63 -11.857   2.710   2.710
  419    HA   GLU  63           HA       GLU  63 -14.623   2.171   2.171
  420   1HB   GLU  63           HB2      GLU  63 -13.568   4.430   4.430
  421   2HB   GLU  63           HB1      GLU  63 -13.258   4.603   4.603
  422   1HG   GLU  63           HG2      GLU  63 -15.784   4.531   4.531
  423   2HG   GLU  63           HG1      GLU  63 -16.025   4.415   4.415
  424    H    LYS  64           HN       LYS  64 -12.573   2.836   2.836
  425    HA   LYS  64           HA       LYS  64 -14.596   1.611   1.611
  426   1HB   LYS  64           HB2      LYS  64 -14.903   4.356   4.356
  427   2HB   LYS  64           HB1      LYS  64 -13.674   4.375   4.375
  428   1HG   LYS  64           HG2      LYS  64 -15.818   4.571   4.571
  429   2HG   LYS  64           HG1      LYS  64 -15.294   2.890   2.890
  430   1HD   LYS  64           HD2      LYS  64 -16.766   2.084   2.084
  431   2HD   LYS  64           HD1      LYS  64 -17.250   3.784   3.784
  432   1HE   LYS  64           HE2      LYS  64 -18.233   3.920   3.920
  433   2HE   LYS  64           HE1      LYS  64 -17.787   2.183   2.183
  434   1HZ   LYS  64           HZ2      LYS  64 -19.201   1.610   1.610
  435   2HZ   LYS  64           HZ1      LYS  64 -19.625   3.238   3.238
  436   3HZ   LYS  64           HZ3      LYS  64 -20.064   2.442   2.442
  437    H    CYS  65           HN       CYS  65 -13.620   1.627   1.627
  438    HA   CYS  65           HA       CYS  65 -10.815   2.058   2.058
  439   1HB   CYS  65           HB2      CYS  65 -10.984  -0.471  -0.471
  440   2HB   CYS  65           HB1      CYS  65 -12.339  -0.457  -0.457
  441    H    HIS  66           HN       HIS  66 -10.715   3.345   3.345
  442    HA   HIS  66           HA       HIS  66 -13.055   3.381   3.381
  443   1HB   HIS  66           HB2      HIS  66 -13.637   5.747   5.747
  444   2HB   HIS  66           HB1      HIS  66 -13.831   4.904   4.904
  445    HD1  HIS  66           HD1      HIS  66 -11.140   5.181   5.181
  446    HD2  HIS  66           HD2      HIS  66 -12.686   8.211   8.211
  447    HE1  HIS  66           HE1      HIS  66  -9.894   7.339   7.339
  448    HE2  HIS  66           HE2      HIS  66 -10.974   9.146   9.146
  449    H    SER  67           HN       SER  67 -12.357   4.982   4.982
  450    HA   SER  67           HA       SER  67  -9.447   5.053   5.053
  451   1HB   SER  67           HB2      SER  67 -11.426   4.073   4.073
  452   2HB   SER  67           HB1      SER  67  -9.642   4.271   4.271
  453    HG   SER  67           HG       SER  67 -10.267   2.116   2.116
  454   1HN   NH2  68           H1       NH2  68  -8.964   7.186   7.186
  455   2HN   NH2  68           H2       NH2  68 -10.177   8.247   8.247

  Start of MODEL   11
    1   1H    VAL   1           HT1      VAL   1   5.263  12.469  12.469
    2   2H    VAL   1           HT3      VAL   1   6.404  11.789  11.789
    3   3H    VAL   1           HT2      VAL   1   6.923  12.631  12.631
    4    HA   VAL   1           HA       VAL   1   5.867  11.003  11.003
    5    HB   VAL   1           HB       VAL   1   7.401   9.037   9.037
    6   1HG1  VAL   1          HG13      VAL   1   8.015  10.973  10.973
    7   2HG1  VAL   1          HG12      VAL   1   8.614  11.876  11.876
    8   3HG1  VAL   1          HG11      VAL   1   9.434  10.353  10.353
    9   1HG2  VAL   1          HG21      VAL   1   7.368   9.148   9.148
   10   2HG2  VAL   1          HG23      VAL   1   9.040   9.265   9.265
   11   3HG2  VAL   1          HG22      VAL   1   8.215  10.740  10.740
   12    H    ARG   2           HN       ARG   2   5.200   8.605   8.605
   13    HA   ARG   2           HA       ARG   2   3.118   8.263   8.263
   14   1HB   ARG   2           HB2      ARG   2   3.316   6.597   6.597
   15   2HB   ARG   2           HB1      ARG   2   1.882   6.924   6.924
   16   1HG   ARG   2           HG2      ARG   2   3.357   8.949   8.949
   17   2HG   ARG   2           HG1      ARG   2   1.868   8.083   8.083
   18   1HD   ARG   2           HD2      ARG   2   1.957   9.924   9.924
   19   2HD   ARG   2           HD1      ARG   2   1.676  10.545  10.545
   20    HE   ARG   2           HE       ARG   2  -0.349   9.211   9.211
   21   1HH1  ARG   2          HH21      ARG   2   1.006   9.244   9.244
   22   2HH1  ARG   2          HH22      ARG   2  -0.486   8.764   8.764
   23   1HH2  ARG   2          HH11      ARG   2  -2.332   8.616   8.616
   24   2HH2  ARG   2          HH12      ARG   2  -2.395   8.413   8.413
   25    H    ASP   3           HN       ASP   3   3.144   6.309   6.309
   26    HA   ASP   3           HA       ASP   3   4.675   4.125   4.125
   27   1HB   ASP   3           HB2      ASP   3   4.391   4.588   4.588
   28   2HB   ASP   3           HB1      ASP   3   5.265   3.262   3.262
   29    H    GLY   4           HN       GLY   4   2.844   2.728   2.728
   30   1HA   GLY   4           HA2      GLY   4   0.758   2.589   2.589
   31   2HA   GLY   4           HA1      GLY   4   0.315   3.536   3.536
   32    H    TYR   5           HN       TYR   5  -1.017   1.278   1.278
   33    HA   TYR   5           HA       TYR   5   0.622  -0.647  -0.647
   34   1HB   TYR   5           HB2      TYR   5  -2.401  -0.321  -0.321
   35   2HB   TYR   5           HB1      TYR   5  -1.761  -1.374  -1.374
   36    HD1  TYR   5           HD2      TYR   5  -2.121  -0.942  -0.942
   37    HD2  TYR   5           HD1      TYR   5  -0.614  -3.428  -3.428
   38    HE1  TYR   5           HE2      TYR   5  -2.067  -2.869  -2.869
   39    HE2  TYR   5           HE1      TYR   5  -0.579  -5.356  -5.356
   40    HH   TYR   5           HH       TYR   5  -1.902  -6.041  -6.041
   41    H    ILE   6           HN       ILE   6   0.580  -0.643  -0.643
   42    HA   ILE   6           HA       ILE   6  -0.248   1.961   1.961
   43    HB   ILE   6           HB       ILE   6   2.099   1.477   1.477
   44   1HG1  ILE   6          HG12      ILE   6   0.285   1.252   1.252
   45   2HG1  ILE   6          HG11      ILE   6   0.738   2.761   2.761
   46   1HG2  ILE   6          HG23      ILE   6   1.028  -1.121  -1.121
   47   2HG2  ILE   6          HG22      ILE   6   2.696  -0.483  -0.483
   48   3HG2  ILE   6          HG21      ILE   6   2.150  -0.941  -0.941
   49   1HD1  ILE   6          HD13      ILE   6   3.206   2.202   2.202
   50   2HD1  ILE   6          HD12      ILE   6   2.569   0.893   0.893
   51   3HD1  ILE   6          HD11      ILE   6   2.139   2.608   2.608
   52    H    ALA   7           HN       ALA   7  -1.622   2.003   2.003
   53    HA   ALA   7           HA       ALA   7  -3.090  -0.181  -0.181
   54   1HB   ALA   7           HB3      ALA   7  -4.270   2.181   2.181
   55   2HB   ALA   7           HB2      ALA   7  -5.247   1.367   1.367
   56   3HB   ALA   7           HB1      ALA   7  -4.703   0.439   0.439
   57    H    GLN   8           HN       GLN   8  -4.611   1.165   1.165
   58    HA   GLN   8           HA       GLN   8  -2.881   2.965   2.965
   59   1HB   GLN   8           HB2      GLN   8  -5.690   1.804   1.804
   60   2HB   GLN   8           HB1      GLN   8  -4.694   2.708   2.708
   61   1HG   GLN   8           HG2      GLN   8  -3.050   0.914   0.914
   62   2HG   GLN   8           HG1      GLN   8  -3.746   0.051   0.051
   63   1HE2  GLN   8          HE21      GLN   8  -6.054  -1.788  -1.788
   64   2HE2  GLN   8          HE22      GLN   8  -5.309  -1.534  -1.534
   65    HA   PRO   9           HA       PRO   9  -4.123   6.081   6.081
   66   1HB   PRO   9           HB2      PRO   9  -5.154   7.756   7.756
   67   2HB   PRO   9           HB1      PRO   9  -4.024   8.298   8.298
   68   1HG   PRO   9           HG1      PRO   9  -2.986   7.473   7.473
   69   2HG   PRO   9           HG2      PRO   9  -2.271   6.809   6.809
   70   1HD   PRO   9           HD1      PRO   9  -4.292   5.451   5.451
   71   2HD   PRO   9           HD2      PRO   9  -2.805   4.787   4.787
   72    H    GLU  10           HN       GLU  10  -7.065   5.267   5.267
   73    HA   GLU  10           HA       GLU  10  -8.622   7.077   7.077
   74   1HB   GLU  10           HB2      GLU  10  -9.640   5.164   5.164
   75   2HB   GLU  10           HB1      GLU  10 -10.605   6.314   6.314
   76   1HG   GLU  10           HG2      GLU  10 -10.266   7.286   7.286
   77   2HG   GLU  10           HG1      GLU  10  -9.371   8.257   8.257
   78    H    ASN  11           HN       ASN  11  -7.051   4.499   4.499
   79    HA   ASN  11           HA       ASN  11  -7.161   3.335   3.335
   80   1HB   ASN  11           HB2      ASN  11  -8.706   5.092   5.092
   81   2HB   ASN  11           HB1      ASN  11 -10.102   4.121   4.121
   82   1HD2  ASN  11          HD22      ASN  11  -9.833   3.233   3.233
   83   2HD2  ASN  11          HD21      ASN  11  -9.759   4.792   4.792
   84    H    CYS  12           HN       CYS  12  -7.089   2.122   2.122
   85    HA   CYS  12           HA       CYS  12  -8.956  -0.195  -0.195
   86   1HB   CYS  12           HB2      CYS  12  -8.051   1.306   1.306
   87   2HB   CYS  12           HB1      CYS  12  -8.180  -0.468  -0.468
   88    H    VAL  13           HN       VAL  13  -7.517  -1.964  -1.964
   89    HA   VAL  13           HA       VAL  13  -4.923  -1.314  -1.314
   90    HB   VAL  13           HB       VAL  13  -4.442  -3.816  -3.816
   91   1HG1  VAL  13          HG11      VAL  13  -6.546  -2.294  -2.294
   92   2HG1  VAL  13          HG13      VAL  13  -5.682  -3.789  -3.789
   93   3HG1  VAL  13          HG12      VAL  13  -4.758  -2.275  -2.275
   94   1HG2  VAL  13          HG23      VAL  13  -6.343  -4.574  -4.574
   95   2HG2  VAL  13          HG22      VAL  13  -6.385  -5.263  -5.263
   96   3HG2  VAL  13          HG21      VAL  13  -7.522  -3.940  -3.940
   97    H    TYR  14           HN       TYR  14  -2.881  -2.453  -2.453
   98    HA   TYR  14           HA       TYR  14  -2.736  -2.596  -2.596
   99   1HB   TYR  14           HB2      TYR  14  -1.200  -0.800  -0.800
  100   2HB   TYR  14           HB1      TYR  14  -0.134  -2.094  -2.094
  101    HD1  TYR  14           HD2      TYR  14  -0.825  -2.807  -2.807
  102    HD2  TYR  14           HD1      TYR  14  -0.565   1.098   1.098
  103    HE1  TYR  14           HE2      TYR  14  -0.427  -1.824  -1.824
  104    HE2  TYR  14           HE1      TYR  14  -0.143   2.085   2.085
  105    HH   TYR  14           HH       TYR  14   0.198   1.625   1.625
  106    H    HIS  15           HN       HIS  15  -1.749  -4.806  -4.806
  107    HA   HIS  15           HA       HIS  15  -2.232  -6.244  -6.244
  108   1HB   HIS  15           HB2      HIS  15  -2.093  -7.192  -7.192
  109   2HB   HIS  15           HB1      HIS  15  -2.374  -8.261  -8.261
  110    HD1  HIS  15           HD1      HIS  15  -4.097  -5.225  -5.225
  111    HD2  HIS  15           HD2      HIS  15  -4.938  -8.519  -8.519
  112    HE1  HIS  15           HE1      HIS  15  -6.592  -5.226  -5.226
  113    HE2  HIS  15           HE2      HIS  15  -7.057  -7.226  -7.226
  114    H    CYS  16           HN       CYS  16  -0.564  -8.581  -8.581
  115    HA   CYS  16           HA       CYS  16   2.075  -7.672  -7.672
  116   1HB   CYS  16           HB2      CYS  16   1.616  -7.529  -7.529
  117   2HB   CYS  16           HB1      CYS  16   0.623  -9.011  -9.011
  118    H    PHE  17           HN       PHE  17   3.127 -10.171 -10.171
  119    HA   PHE  17           HA       PHE  17   1.179 -11.893 -11.893
  120   1HB   PHE  17           HB2      PHE  17   4.123 -11.429 -11.429
  121   2HB   PHE  17           HB1      PHE  17   2.968 -12.606 -12.606
  122    HD1  PHE  17           HD1      PHE  17   0.470 -10.883 -10.883
  123    HD2  PHE  17           HD2      PHE  17   4.615  -9.949  -9.949
  124    HE1  PHE  17           HE1      PHE  17  -0.200  -9.144  -9.144
  125    HE2  PHE  17           HE2      PHE  17   3.926  -8.205  -8.205
  126    HZ   PHE  17           HZ       PHE  17   1.520  -7.780  -7.780
  127    HA   PRO  18           HA       PRO  18   2.565 -12.884 -12.884
  128   1HB   PRO  18           HB2      PRO  18   2.044 -15.819 -15.819
  129   2HB   PRO  18           HB1      PRO  18   1.664 -15.017 -15.017
  130   1HG   PRO  18           HG1      PRO  18  -0.279 -15.224 -15.224
  131   2HG   PRO  18           HG2      PRO  18  -0.062 -13.648 -13.648
  132   1HD   PRO  18           HD1      PRO  18   0.815 -14.382 -14.382
  133   2HD   PRO  18           HD2      PRO  18   0.249 -12.801 -12.801
  134    H    GLY  19           HN       GLY  19   4.788 -12.320 -12.320
  135   1HA   GLY  19           HA2      GLY  19   6.452 -14.077 -14.077
  136   2HA   GLY  19           HA1      GLY  19   6.878 -13.911 -13.911
  137    H    SER  20           HN       SER  20   8.735 -12.390 -12.390
  138    HA   SER  20           HA       SER  20   7.749  -9.915  -9.915
  139   1HB   SER  20           HB2      SER  20  10.587 -10.477 -10.477
  140   2HB   SER  20           HB1      SER  20  10.088  -9.361  -9.361
  141    HG   SER  20           HG       SER  20  10.973 -11.273 -11.273
  142    H    SER  21           HN       SER  21   8.960 -11.327 -11.327
  143    HA   SER  21           HA       SER  21   9.810  -9.429  -9.429
  144   1HB   SER  21           HB2      SER  21   8.044 -11.672 -11.672
  145   2HB   SER  21           HB1      SER  21   9.635 -11.070 -11.070
  146    HG   SER  21           HG       SER  21   9.919 -12.992 -12.992
  147    H    GLY  22           HN       GLY  22   6.283 -10.312 -10.312
  148   1HA   GLY  22           HA2      GLY  22   5.751  -8.710  -8.710
  149   2HA   GLY  22           HA1      GLY  22   4.572  -9.404  -9.404
  150    H    CYS  23           HN       CYS  23   5.546  -8.179  -8.179
  151    HA   CYS  23           HA       CYS  23   4.286  -5.630  -5.630
  152   1HB   CYS  23           HB2      CYS  23   4.003  -6.923  -6.923
  153   2HB   CYS  23           HB1      CYS  23   5.767  -6.929  -6.929
  154    H    ASP  24           HN       ASP  24   7.647  -6.844  -6.844
  155    HA   ASP  24           HA       ASP  24   8.893  -4.437  -4.437
  156   1HB   ASP  24           HB2      ASP  24   9.920  -6.739  -6.739
  157   2HB   ASP  24           HB1      ASP  24  10.046  -6.917  -6.917
  158    H    THR  25           HN       THR  25   8.176  -6.185  -6.185
  159    HA   THR  25           HA       THR  25   9.420  -4.400  -4.400
  160    HB   THR  25           HB       THR  25   6.855  -5.978  -5.978
  161    HG1  THR  25           HG1      THR  25   8.430  -7.399  -7.399
  162   1HG2  THR  25          HG21      THR  25   9.038  -4.967  -4.967
  163   2HG2  THR  25          HG23      THR  25   7.669  -6.049  -6.049
  164   3HG2  THR  25          HG22      THR  25   7.341  -4.371  -4.371
  165    H    LEU  26           HN       LEU  26   5.950  -4.466  -4.466
  166    HA   LEU  26           HA       LEU  26   5.233  -2.267  -2.267
  167   1HB   LEU  26           HB2      LEU  26   3.847  -3.571  -3.571
  168   2HB   LEU  26           HB1      LEU  26   3.091  -2.278  -2.278
  169    HG   LEU  26           HG       LEU  26   4.020  -4.977  -4.977
  170   1HD1  LEU  26          HD12      LEU  26   1.205  -4.107  -4.107
  171   2HD1  LEU  26          HD11      LEU  26   1.607  -5.620  -5.620
  172   3HD1  LEU  26          HD13      LEU  26   2.252  -5.360  -5.360
  173   1HD2  LEU  26          HD21      LEU  26   2.268  -2.720  -2.720
  174   2HD2  LEU  26          HD23      LEU  26   3.909  -3.213  -3.213
  175   3HD2  LEU  26          HD22      LEU  26   2.527  -4.341  -4.341
  176    H    CYS  27           HN       CYS  27   6.039  -2.701  -2.701
  177    HA   CYS  27           HA       CYS  27   5.459  -0.132  -0.132
  178   1HB   CYS  27           HB2      CYS  27   6.012  -2.163  -2.163
  179   2HB   CYS  27           HB1      CYS  27   7.723  -1.992  -1.992
  180    H    LYS  28           HN       LYS  28   8.453  -1.542  -1.542
  181    HA   LYS  28           HA       LYS  28   9.989   0.740   0.740
  182   1HB   LYS  28           HB2      LYS  28  11.011  -1.444  -1.444
  183   2HB   LYS  28           HB1      LYS  28  10.489  -1.388  -1.388
  184   1HG   LYS  28           HG2      LYS  28  11.966   0.504   0.504
  185   2HG   LYS  28           HG1      LYS  28  12.287   0.779   0.779
  186   1HD   LYS  28           HD2      LYS  28  13.151  -1.733  -1.733
  187   2HD   LYS  28           HD1      LYS  28  14.189  -0.299  -0.299
  188   1HE   LYS  28           HE2      LYS  28  13.048  -2.172  -2.172
  189   2HE   LYS  28           HE1      LYS  28  14.756  -2.105  -2.105
  190   1HZ   LYS  28           HZ2      LYS  28  13.282   0.110   0.110
  191   2HZ   LYS  28           HZ1      LYS  28  14.438  -0.904  -0.904
  192   3HZ   LYS  28           HZ3      LYS  28  14.892   0.154   0.154
  193    H    GLU  29           HN       GLU  29   8.163  -0.240  -0.240
  194    HA   GLU  29           HA       GLU  29   9.144   1.940   1.940
  195   1HB   GLU  29           HB2      GLU  29   7.432   1.354   1.354
  196   2HB   GLU  29           HB1      GLU  29   8.376  -0.070  -0.070
  197   1HG   GLU  29           HG2      GLU  29   6.506  -0.717  -0.717
  198   2HG   GLU  29           HG1      GLU  29   5.528   0.673   0.673
  199    H    LYS  30           HN       LYS  30   6.755   1.866   1.866
  200    HA   LYS  30           HA       LYS  30   5.499   4.326   4.326
  201   1HB   LYS  30           HB2      LYS  30   4.849   2.510   2.510
  202   2HB   LYS  30           HB1      LYS  30   3.984   4.050   4.050
  203   1HG   LYS  30           HG2      LYS  30   4.147   1.684   1.684
  204   2HG   LYS  30           HG1      LYS  30   2.801   1.934   1.934
  205   1HD   LYS  30           HD2      LYS  30   1.821   3.566   3.566
  206   2HD   LYS  30           HD1      LYS  30   3.353   4.379   4.379
  207   1HE   LYS  30           HE2      LYS  30   2.396   1.775   1.775
  208   2HE   LYS  30           HE1      LYS  30   2.108   3.446   3.446
  209   1HZ   LYS  30           HZ2      LYS  30   4.508   3.766   3.766
  210   2HZ   LYS  30           HZ1      LYS  30   4.741   2.166   2.166
  211   3HZ   LYS  30           HZ3      LYS  30   4.019   2.482   2.482
  212    H    GLY  31           HN       GLY  31   8.238   3.435   3.435
  213   1HA   GLY  31           HA2      GLY  31   9.737   4.848   4.848
  214   2HA   GLY  31           HA1      GLY  31   8.488   6.140   6.140
  215    H    GLY  32           HN       GLY  32   8.122   2.823   2.823
  216   1HA   GLY  32           HA2      GLY  32   8.255   3.967   3.967
  217   2HA   GLY  32           HA1      GLY  32   7.751   2.316   2.316
  218    H    THR  33           HN       THR  33   9.846   3.273   3.273
  219    HA   THR  33           HA       THR  33  12.338   2.807   2.807
  220    HB   THR  33           HB       THR  33  11.797   3.876   3.876
  221    HG1  THR  33           HG1      THR  33  10.830   5.314   5.314
  222   1HG2  THR  33          HG21      THR  33  14.249   4.102   4.102
  223   2HG2  THR  33          HG23      THR  33  14.076   4.916   4.916
  224   3HG2  THR  33          HG22      THR  33  14.166   3.123   3.123
  225    H    SER  34           HN       SER  34  10.042   1.163   1.163
  226    HA   SER  34           HA       SER  34  11.619  -1.130  -1.130
  227   1HB   SER  34           HB2      SER  34  10.970  -0.043  -0.043
  228   2HB   SER  34           HB1      SER  34  11.637  -1.678  -1.678
  229    HG   SER  34           HG       SER  34  13.115   0.287   0.287
  230    H    GLY  35           HN       GLY  35   9.863  -2.950  -2.950
  231   1HA   GLY  35           HA2      GLY  35   7.351  -1.965  -1.965
  232   2HA   GLY  35           HA1      GLY  35   7.555  -2.490  -2.490
  233    H    HIS  36           HN       HIS  36   5.960  -4.259  -4.259
  234    HA   HIS  36           HA       HIS  36   7.531  -6.554  -6.554
  235   1HB   HIS  36           HB2      HIS  36   6.795  -7.422  -7.422
  236   2HB   HIS  36           HB1      HIS  36   8.030  -6.134  -6.134
  237    HD1  HIS  36           HD1      HIS  36   7.139  -3.754  -3.754
  238    HD2  HIS  36           HD2      HIS  36   4.313  -6.849  -6.849
  239    HE1  HIS  36           HE1      HIS  36   5.248  -2.930  -2.930
  240    HE2  HIS  36           HE2      HIS  36   3.583  -4.835  -4.835
  241    H    CYS  37           HN       CYS  37   5.725  -8.316  -8.316
  242    HA   CYS  37           HA       CYS  37   3.489  -7.202  -7.202
  243   1HB   CYS  37           HB2      CYS  37   4.862  -9.186  -9.186
  244   2HB   CYS  37           HB1      CYS  37   4.370 -10.093 -10.093
  245    H    GLY  38           HN       GLY  38   1.128  -8.013  -8.013
  246   1HA   GLY  38           HA2      GLY  38   0.868  -9.170  -9.170
  247   2HA   GLY  38           HA1      GLY  38   0.770  -7.353  -7.353
  248    H    PHE  39           HN       PHE  39  -1.600  -7.963  -7.963
  249    HA   PHE  39           HA       PHE  39  -3.196  -8.227  -8.227
  250   1HB   PHE  39           HB2      PHE  39  -2.985 -10.471 -10.471
  251   2HB   PHE  39           HB1      PHE  39  -3.825  -9.550  -9.550
  252    HD1  PHE  39           HD1      PHE  39  -6.232  -8.862  -8.862
  253    HD2  PHE  39           HD2      PHE  39  -4.102 -11.327 -11.327
  254    HE1  PHE  39           HE1      PHE  39  -8.376  -9.643  -9.643
  255    HE2  PHE  39           HE2      PHE  39  -6.246 -12.124 -12.124
  256    HZ   PHE  39           HZ       PHE  39  -8.392 -11.294 -11.294
  257    H    LYS  40           HN       LYS  40  -5.061  -6.807  -6.807
  258    HA   LYS  40           HA       LYS  40  -4.774  -5.125  -5.125
  259   1HB   LYS  40           HB2      LYS  40  -4.367  -3.713  -3.713
  260   2HB   LYS  40           HB1      LYS  40  -5.782  -4.464  -4.464
  261   1HG   LYS  40           HG2      LYS  40  -6.393  -2.221  -2.221
  262   2HG   LYS  40           HG1      LYS  40  -7.317  -3.420  -3.420
  263   1HD   LYS  40           HD2      LYS  40  -5.329  -3.071  -3.071
  264   2HD   LYS  40           HD1      LYS  40  -5.059  -1.553  -1.553
  265   1HE   LYS  40           HE2      LYS  40  -7.674  -2.483  -2.483
  266   2HE   LYS  40           HE1      LYS  40  -6.550  -1.185  -1.185
  267   1HZ   LYS  40           HZ1      LYS  40  -8.116  -1.139  -1.139
  268   2HZ   LYS  40           HZ3      LYS  40  -8.511  -0.333  -0.333
  269   3HZ   LYS  40           HZ2      LYS  40  -7.104   0.092   0.092
  270    H    VAL  41           HN       VAL  41  -6.379  -5.846  -5.846
  271    HA   VAL  41           HA       VAL  41  -8.328  -7.630  -7.630
  272    HB   VAL  41           HB       VAL  41  -8.193  -6.707  -6.707
  273   1HG1  VAL  41          HG13      VAL  41  -9.177  -9.282  -9.282
  274   2HG1  VAL  41          HG12      VAL  41  -9.238  -8.972  -8.972
  275   3HG1  VAL  41          HG11      VAL  41 -10.236  -7.975  -7.975
  276   1HG2  VAL  41          HG21      VAL  41  -6.553  -8.926  -8.926
  277   2HG2  VAL  41          HG23      VAL  41  -5.889  -7.461  -7.461
  278   3HG2  VAL  41          HG22      VAL  41  -6.710  -8.726  -8.726
  279    H    GLY  42           HN       GLY  42 -10.263  -6.909  -6.909
  280   1HA   GLY  42           HA2      GLY  42 -12.175  -5.502  -5.502
  281   2HA   GLY  42           HA1      GLY  42 -11.033  -4.143  -4.143
  282    H    HIS  43           HN       HIS  43  -9.229  -5.726  -5.726
  283    HA   HIS  43           HA       HIS  43 -10.747  -4.811  -4.811
  284   1HB   HIS  43           HB2      HIS  43  -7.800  -4.265  -4.265
  285   2HB   HIS  43           HB1      HIS  43  -8.472  -4.208  -4.208
  286    HD1  HIS  43           HD1      HIS  43  -9.003  -1.912  -1.912
  287    HD2  HIS  43           HD2      HIS  43  -9.487  -2.315  -2.315
  288    HE1  HIS  43           HE1      HIS  43  -9.559   0.374   0.374
  289    HE2  HIS  43           HE2      HIS  43  -9.869   0.091   0.091
  290    H    GLY  44           HN       GLY  44  -7.484  -6.451  -6.451
  291   1HA   GLY  44           HA2      GLY  44  -8.128  -8.915  -8.915
  292   2HA   GLY  44           HA1      GLY  44  -7.963  -7.919  -7.919
  293    H    LEU  45           HN       LEU  45  -6.005  -9.278  -9.278
  294    HA   LEU  45           HA       LEU  45  -3.695  -9.111  -9.111
  295   1HB   LEU  45           HB2      LEU  45  -4.277 -10.812 -10.812
  296   2HB   LEU  45           HB1      LEU  45  -4.129  -9.499  -9.499
  297    HG   LEU  45           HG       LEU  45  -1.671  -9.301  -9.301
  298   1HD1  LEU  45          HD13      LEU  45  -1.668 -10.358 -10.358
  299   2HD1  LEU  45          HD12      LEU  45  -2.144 -11.940 -11.940
  300   3HD1  LEU  45          HD11      LEU  45  -0.552 -11.199 -11.199
  301   1HD2  LEU  45          HD23      LEU  45  -2.472 -10.552 -10.552
  302   2HD2  LEU  45          HD22      LEU  45  -1.030 -11.346 -11.346
  303   3HD2  LEU  45          HD21      LEU  45  -2.668 -12.047 -12.047
  304    H    ALA  46           HN       ALA  46  -1.937  -7.449  -7.449
  305    HA   ALA  46           HA       ALA  46  -2.653  -5.104  -5.104
  306   1HB   ALA  46           HB1      ALA  46  -3.792  -4.847  -4.847
  307   2HB   ALA  46           HB3      ALA  46  -2.204  -5.071  -5.071
  308   3HB   ALA  46           HB2      ALA  46  -2.492  -3.631  -3.631
  309    H    CYS  47           HN       CYS  47  -0.544  -3.345  -3.345
  310    HA   CYS  47           HA       CYS  47   1.714  -5.169  -5.169
  311   1HB   CYS  47           HB2      CYS  47   1.815  -4.951  -4.951
  312   2HB   CYS  47           HB1      CYS  47   1.316  -3.247  -3.247
  313    H    TRP  48           HN       TRP  48   3.448  -3.790  -3.790
  314    HA   TRP  48           HA       TRP  48   2.209  -1.422  -1.422
  315   1HB   TRP  48           HB2      TRP  48   2.472  -3.203  -3.203
  316   2HB   TRP  48           HB1      TRP  48   4.167  -3.448  -3.448
  317    HD1  TRP  48           HD1      TRP  48   5.936  -1.324  -1.324
  318    HE1  TRP  48           HE1      TRP  48   5.933   0.293   0.293
  319    HE3  TRP  48           HE3      TRP  48   1.135  -2.096  -2.096
  320    HZ2  TRP  48           HZ2      TRP  48   4.014   1.260   1.260
  321    HZ3  TRP  48           HZ3      TRP  48   0.281  -0.830  -0.830
  322    HH2  TRP  48           HH2      TRP  48   1.699   0.824   0.824
  323    H    CYS  49           HN       CYS  49   3.697   0.401   0.401
  324    HA   CYS  49           HA       CYS  49   6.297  -0.059  -0.059
  325   1HB   CYS  49           HB2      CYS  49   4.390   2.166   2.166
  326   2HB   CYS  49           HB1      CYS  49   6.171   2.224   2.224
  327    H    ASN  50           HN       ASN  50   7.813   1.213   1.213
  328    HA   ASN  50           HA       ASN  50   6.921   2.913   2.913
  329   1HB   ASN  50           HB2      ASN  50   8.866   0.698   0.698
  330   2HB   ASN  50           HB1      ASN  50   9.792   2.208   2.208
  331   1HD2  ASN  50          HD21      ASN  50   9.044   2.225   2.225
  332   2HD2  ASN  50          HD22      ASN  50  10.064   2.741   2.741
  333    H    ALA  51           HN       ALA  51   7.443   5.028   5.028
  334    HA   ALA  51           HA       ALA  51   8.134   6.846   6.846
  335   1HB   ALA  51           HB2      ALA  51  10.336   6.337   6.337
  336   2HB   ALA  51           HB1      ALA  51  10.766   5.435   5.435
  337   3HB   ALA  51           HB3      ALA  51  10.498   7.213   7.213
  338    H    LEU  52           HN       LEU  52   6.395   6.421   6.421
  339    HA   LEU  52           HA       LEU  52   7.215   6.501   6.501
  340   1HB   LEU  52           HB2      LEU  52   4.474   6.476   6.476
  341   2HB   LEU  52           HB1      LEU  52   4.615   7.053   7.053
  342    HG   LEU  52           HG       LEU  52   5.575   4.278   4.278
  343   1HD1  LEU  52          HD11      LEU  52   2.739   5.130   5.130
  344   2HD1  LEU  52          HD13      LEU  52   3.324   3.429   3.429
  345   3HD1  LEU  52          HD12      LEU  52   3.204   4.400   4.400
  346   1HD2  LEU  52          HD23      LEU  52   6.268   5.299   5.299
  347   2HD2  LEU  52          HD22      LEU  52   5.366   3.754   3.754
  348   3HD2  LEU  52          HD21      LEU  52   4.553   5.316   5.316
  349    HA   PRO  53           HA       PRO  53   6.934  10.905  10.905
  350   1HB   PRO  53           HB2      PRO  53   6.716  12.006  12.006
  351   2HB   PRO  53           HB1      PRO  53   8.231  11.221  11.221
  352   1HG   PRO  53           HG1      PRO  53   6.062  10.017  10.017
  353   2HG   PRO  53           HG2      PRO  53   7.859   9.934   9.934
  354   1HD   PRO  53           HD1      PRO  53   6.263   7.930   7.930
  355   2HD   PRO  53           HD2      PRO  53   8.016   8.162   8.162
  356    H    ASP  54           HN       ASP  54   5.277  12.775  12.775
  357    HA   ASP  54           HA       ASP  54   2.930  11.538  11.538
  358   1HB   ASP  54           HB2      ASP  54   3.623  14.473  14.473
  359   2HB   ASP  54           HB1      ASP  54   2.125  13.926  13.926
  360    H    ASN  55           HN       ASN  55   3.818  12.394  12.394
  361    HA   ASN  55           HA       ASN  55   1.165  13.158  13.158
  362   1HB   ASN  55           HB2      ASN  55   2.195  13.237  13.237
  363   2HB   ASN  55           HB1      ASN  55   3.045  14.275  14.275
  364   1HD2  ASN  55          HD22      ASN  55   5.150  11.322  11.322
  365   2HD2  ASN  55          HD21      ASN  55   3.516  11.700  11.700
  366    H    VAL  56           HN       VAL  56   2.291  10.285  10.285
  367    HA   VAL  56           HA       VAL  56   0.889   8.772   8.772
  368    HB   VAL  56           HB       VAL  56   2.468   7.619   7.619
  369   1HG1  VAL  56          HG12      VAL  56   0.808   6.148   6.148
  370   2HG1  VAL  56          HG11      VAL  56   1.620   6.540   6.540
  371   3HG1  VAL  56          HG13      VAL  56   2.495   5.614   5.614
  372   1HG2  VAL  56          HG21      VAL  56   3.509   8.502   8.502
  373   2HG2  VAL  56          HG23      VAL  56   4.052   9.090   9.090
  374   3HG2  VAL  56          HG22      VAL  56   4.394   7.408   7.408
  375    H    GLY  57           HN       GLY  57  -1.267   8.701   8.701
  376   1HA   GLY  57           HA2      GLY  57  -2.123   8.766   8.766
  377   2HA   GLY  57           HA1      GLY  57  -3.134   8.689   8.689
  378    H    ILE  58           HN       ILE  58  -3.464   6.822   6.822
  379    HA   ILE  58           HA       ILE  58  -2.576   4.259   4.259
  380    HB   ILE  58           HB       ILE  58  -1.679   3.663   3.663
  381   1HG1  ILE  58          HG12      ILE  58  -1.374   6.707   6.707
  382   2HG1  ILE  58          HG11      ILE  58  -2.655   5.739   5.739
  383   1HG2  ILE  58          HG23      ILE  58  -0.320   4.239   4.239
  384   2HG2  ILE  58          HG22      ILE  58  -0.074   5.885   5.885
  385   3HG2  ILE  58          HG21      ILE  58   0.554   4.449   4.449
  386   1HD1  ILE  58          HD11      ILE  58  -0.897   4.240   4.240
  387   2HD1  ILE  58          HD13      ILE  58   0.385   5.296   5.296
  388   3HD1  ILE  58          HD12      ILE  58  -0.755   5.955   5.955
  389    H    ILE  59           HN       ILE  59  -3.376   3.583   3.583
  390    HA   ILE  59           HA       ILE  59  -6.230   3.507   3.507
  391    HB   ILE  59           HB       ILE  59  -4.532   2.666   2.666
  392   1HG1  ILE  59          HG12      ILE  59  -5.666   0.412   0.412
  393   2HG1  ILE  59          HG11      ILE  59  -6.156   1.125   1.125
  394   1HG2  ILE  59          HG21      ILE  59  -6.743   3.591   3.591
  395   2HG2  ILE  59          HG23      ILE  59  -7.599   2.506   2.506
  396   3HG2  ILE  59          HG22      ILE  59  -6.657   1.808   1.808
  397   1HD1  ILE  59          HD12      ILE  59  -3.251   0.862   0.862
  398   2HD1  ILE  59          HD11      ILE  59  -4.053  -0.306  -0.306
  399   3HD1  ILE  59          HD13      ILE  59  -3.715   1.382   1.382
  400    H    VAL  60           HN       VAL  60  -7.421   5.310   5.310
  401    HA   VAL  60           HA       VAL  60  -6.137   7.529   7.529
  402    HB   VAL  60           HB       VAL  60  -6.287   7.012   7.012
  403   1HG1  VAL  60          HG13      VAL  60  -8.656   7.633   7.633
  404   2HG1  VAL  60          HG12      VAL  60  -8.291   9.248   9.248
  405   3HG1  VAL  60          HG11      VAL  60  -7.641   8.810   8.810
  406   1HG2  VAL  60          HG23      VAL  60  -4.540   8.252   8.252
  407   2HG2  VAL  60          HG22      VAL  60  -5.188   9.194   9.194
  408   3HG2  VAL  60          HG21      VAL  60  -5.683   9.622   9.622
  409    H    GLU  61           HN       GLU  61  -7.699   8.806   8.806
  410    HA   GLU  61           HA       GLU  61  -9.387   9.112   9.112
  411   1HB   GLU  61           HB2      GLU  61 -10.869   9.352   9.352
  412   2HB   GLU  61           HB1      GLU  61 -11.082   7.583   7.583
  413   1HG   GLU  61           HG2      GLU  61 -12.247   7.622   7.622
  414   2HG   GLU  61           HG1      GLU  61 -11.947   9.400   9.400
  415    H    GLY  62           HN       GLY  62  -9.943   5.791   5.791
  416   1HA   GLY  62           HA2      GLY  62  -8.751   4.216   4.216
  417   2HA   GLY  62           HA1      GLY  62 -10.068   4.776   4.776
  418    H    GLU  63           HN       GLU  63 -12.079   5.198   5.198
  419    HA   GLU  63           HA       GLU  63 -13.582   3.224   3.224
  420   1HB   GLU  63           HB2      GLU  63 -14.281   5.471   5.471
  421   2HB   GLU  63           HB1      GLU  63 -13.946   4.974   4.974
  422   1HG   GLU  63           HG2      GLU  63 -15.713   3.160   3.160
  423   2HG   GLU  63           HG1      GLU  63 -15.985   3.647   3.647
  424    H    LYS  64           HN       LYS  64 -12.912   3.536   3.536
  425    HA   LYS  64           HA       LYS  64 -12.257   0.913   0.913
  426   1HB   LYS  64           HB2      LYS  64 -14.914   0.810   0.810
  427   2HB   LYS  64           HB1      LYS  64 -15.108   1.472   1.472
  428   1HG   LYS  64           HG2      LYS  64 -13.751  -0.591  -0.591
  429   2HG   LYS  64           HG1      LYS  64 -13.707  -1.147  -1.147
  430   1HD   LYS  64           HD2      LYS  64 -16.226  -1.193  -1.193
  431   2HD   LYS  64           HD1      LYS  64 -16.254  -0.730  -0.730
  432   1HE   LYS  64           HE2      LYS  64 -14.958  -3.303  -3.303
  433   2HE   LYS  64           HE1      LYS  64 -16.570  -3.203  -3.203
  434   1HZ   LYS  64           HZ1      LYS  64 -15.436  -2.414  -2.414
  435   2HZ   LYS  64           HZ3      LYS  64 -13.930  -2.576  -2.576
  436   3HZ   LYS  64           HZ2      LYS  64 -14.891  -3.947  -3.947
  437    H    CYS  65           HN       CYS  65 -13.302   1.005   1.005
  438    HA   CYS  65           HA       CYS  65 -11.520   3.091   3.091
  439   1HB   CYS  65           HB2      CYS  65 -11.358   0.696   0.696
  440   2HB   CYS  65           HB1      CYS  65 -12.918   0.913   0.913
  441    H    HIS  66           HN       HIS  66 -12.065   4.654   4.654
  442    HA   HIS  66           HA       HIS  66 -14.941   5.065   5.065
  443   1HB   HIS  66           HB2      HIS  66 -14.595   7.551   7.551
  444   2HB   HIS  66           HB1      HIS  66 -14.512   6.446   6.446
  445    HD1  HIS  66           HD1      HIS  66 -12.160   8.532   8.532
  446    HD2  HIS  66           HD2      HIS  66 -12.227   6.394   6.394
  447    HE1  HIS  66           HE1      HIS  66 -10.026   9.093   9.093
  448    HE2  HIS  66           HE2      HIS  66 -10.120   7.800   7.800
  449    H    SER  67           HN       SER  67 -14.516   7.600   7.600
  450    HA   SER  67           HA       SER  67 -12.497   7.566   7.566
  451   1HB   SER  67           HB2      SER  67 -15.208   6.310   6.310
  452   2HB   SER  67           HB1      SER  67 -14.080   7.110   7.110
  453    HG   SER  67           HG       SER  67 -13.165   5.083   5.083
  454   1HN   NH2  68           H1       NH2  68 -13.685   9.417   9.417
  455   2HN   NH2  68           H2       NH2  68 -14.692  10.504  10.504

  Start of MODEL   12
    1   1H    VAL   1           HT1      VAL   1   6.786  12.223  12.223
    2   2H    VAL   1           HT3      VAL   1   8.016  11.379  11.379
    3   3H    VAL   1           HT2      VAL   1   8.322  12.069  12.069
    4    HA   VAL   1           HA       VAL   1   6.749  10.626  10.626
    5    HB   VAL   1           HB       VAL   1   7.952   8.435   8.435
    6   1HG1  VAL   1          HG13      VAL   1   8.836  10.198  10.198
    7   2HG1  VAL   1          HG12      VAL   1   9.823  10.885  10.885
    8   3HG1  VAL   1          HG11      VAL   1  10.151   9.220   9.220
    9   1HG2  VAL   1          HG21      VAL   1   8.351   8.527   8.527
   10   2HG2  VAL   1          HG23      VAL   1   9.873   8.267   8.267
   11   3HG2  VAL   1          HG22      VAL   1   9.505   9.891   9.891
   12    H    ARG   2           HN       ARG   2   5.469   8.554   8.554
   13    HA   ARG   2           HA       ARG   2   4.163   8.349   8.349
   14   1HB   ARG   2           HB2      ARG   2   3.150   7.079   7.079
   15   2HB   ARG   2           HB1      ARG   2   2.352   7.083   7.083
   16   1HG   ARG   2           HG2      ARG   2   1.092   8.564   8.564
   17   2HG   ARG   2           HG1      ARG   2   2.216   9.701   9.701
   18   1HD   ARG   2           HD2      ARG   2   3.222  10.349  10.349
   19   2HD   ARG   2           HD1      ARG   2   2.955   8.724   8.724
   20    HE   ARG   2           HE       ARG   2   0.892   9.385   9.385
   21   1HH1  ARG   2          HH11      ARG   2   1.831  11.764  11.764
   22   2HH1  ARG   2          HH12      ARG   2   0.527  12.838  12.838
   23   1HH2  ARG   2          HH21      ARG   2  -0.787  10.858  10.858
   24   2HH2  ARG   2          HH22      ARG   2  -0.984  12.321  12.321
   25    H    ASP   3           HN       ASP   3   3.673   5.978   5.978
   26    HA   ASP   3           HA       ASP   3   5.044   4.012   4.012
   27   1HB   ASP   3           HB2      ASP   3   4.639   3.765   3.765
   28   2HB   ASP   3           HB1      ASP   3   5.373   2.552   2.552
   29    H    GLY   4           HN       GLY   4   3.182   2.528   2.528
   30   1HA   GLY   4           HA2      GLY   4   1.003   2.512   2.512
   31   2HA   GLY   4           HA1      GLY   4   0.667   3.501   3.501
   32    H    TYR   5           HN       TYR   5  -0.875   1.449   1.449
   33    HA   TYR   5           HA       TYR   5   0.519  -0.646  -0.646
   34   1HB   TYR   5           HB2      TYR   5  -2.476   0.073   0.073
   35   2HB   TYR   5           HB1      TYR   5  -1.866  -1.278  -1.278
   36    HD1  TYR   5           HD1      TYR   5  -0.868  -3.250  -3.250
   37    HD2  TYR   5           HD2      TYR   5  -2.454  -0.108  -0.108
   38    HE1  TYR   5           HE1      TYR   5  -1.008  -4.812  -4.812
   39    HE2  TYR   5           HE2      TYR   5  -2.559  -1.660  -1.660
   40    HH   TYR   5           HH       TYR   5  -2.362  -5.100  -5.100
   41    H    ILE   6           HN       ILE   6   0.638  -0.457  -0.457
   42    HA   ILE   6           HA       ILE   6  -0.137   2.164   2.164
   43    HB   ILE   6           HB       ILE   6   2.225   1.550   1.550
   44   1HG1  ILE   6          HG12      ILE   6   0.674   1.859   1.859
   45   2HG1  ILE   6          HG11      ILE   6   1.116   3.172   3.172
   46   1HG2  ILE   6          HG21      ILE   6   2.006  -0.878  -0.878
   47   2HG2  ILE   6          HG23      ILE   6   1.137  -0.701  -0.701
   48   3HG2  ILE   6          HG22      ILE   6   2.856  -0.217  -0.217
   49   1HD1  ILE   6          HD13      ILE   6   3.585   2.510   2.510
   50   2HD1  ILE   6          HD12      ILE   6   3.018   1.437   1.437
   51   3HD1  ILE   6          HD11      ILE   6   2.736   3.213   3.213
   52    H    ALA   7           HN       ALA   7  -1.301   2.317   2.317
   53    HA   ALA   7           HA       ALA   7  -2.688   0.103   0.103
   54   1HB   ALA   7           HB1      ALA   7  -4.094   2.529   2.529
   55   2HB   ALA   7           HB3      ALA   7  -4.930   1.349   1.349
   56   3HB   ALA   7           HB2      ALA   7  -4.261   0.800   0.800
   57    H    GLN   8           HN       GLN   8  -4.431   1.598   1.598
   58    HA   GLN   8           HA       GLN   8  -2.879   3.401   3.401
   59   1HB   GLN   8           HB2      GLN   8  -5.789   2.358   2.358
   60   2HB   GLN   8           HB1      GLN   8  -4.916   3.293   3.293
   61   1HG   GLN   8           HG2      GLN   8  -3.315   1.422   1.422
   62   2HG   GLN   8           HG1      GLN   8  -4.082   0.482   0.482
   63   1HE2  GLN   8          HE21      GLN   8  -5.591  -0.985  -0.985
   64   2HE2  GLN   8          HE22      GLN   8  -4.144  -1.068  -1.068
   65    HA   PRO   9           HA       PRO   9  -4.729   6.605   6.605
   66   1HB   PRO   9           HB2      PRO   9  -5.090   8.166   8.166
   67   2HB   PRO   9           HB1      PRO   9  -4.395   8.773   8.773
   68   1HG   PRO   9           HG1      PRO   9  -2.725   8.042   8.042
   69   2HG   PRO   9           HG2      PRO   9  -2.370   7.439   7.439
   70   1HD   PRO   9           HD1      PRO   9  -3.761   5.917   5.917
   71   2HD   PRO   9           HD2      PRO   9  -2.451   5.385   5.385
   72    H    GLU  10           HN       GLU  10  -6.825   4.765   4.765
   73    HA   GLU  10           HA       GLU  10  -9.084   6.634   6.634
   74   1HB   GLU  10           HB2      GLU  10  -9.167   3.628   3.628
   75   2HB   GLU  10           HB1      GLU  10 -10.286   4.896   4.896
   76   1HG   GLU  10           HG2      GLU  10  -7.367   4.464   4.464
   77   2HG   GLU  10           HG1      GLU  10  -8.859   4.034   4.034
   78    H    ASN  11           HN       ASN  11  -7.454   5.409   5.409
   79    HA   ASN  11           HA       ASN  11  -7.651   4.728   4.728
   80   1HB   ASN  11           HB2      ASN  11  -9.755   6.249   6.249
   81   2HB   ASN  11           HB1      ASN  11 -10.732   4.756   4.756
   82   1HD2  ASN  11          HD21      ASN  11 -10.499   4.936   4.936
   83   2HD2  ASN  11          HD22      ASN  11 -11.555   5.113   5.113
   84    H    CYS  12           HN       CYS  12  -6.917   2.870   2.870
   85    HA   CYS  12           HA       CYS  12  -8.926   0.693   0.693
   86   1HB   CYS  12           HB2      CYS  12  -7.510   1.903   1.903
   87   2HB   CYS  12           HB1      CYS  12  -6.836   0.290   0.290
   88    H    VAL  13           HN       VAL  13  -6.841  -1.287  -1.287
   89    HA   VAL  13           HA       VAL  13  -4.829  -1.134  -1.134
   90    HB   VAL  13           HB       VAL  13  -4.966  -3.657  -3.657
   91   1HG1  VAL  13          HG13      VAL  13  -7.099  -1.869  -1.869
   92   2HG1  VAL  13          HG12      VAL  13  -6.493  -3.445  -3.445
   93   3HG1  VAL  13          HG11      VAL  13  -5.385  -2.037  -2.037
   94   1HG2  VAL  13          HG22      VAL  13  -6.687  -4.156  -4.156
   95   2HG2  VAL  13          HG21      VAL  13  -7.187  -4.709  -4.709
   96   3HG2  VAL  13          HG23      VAL  13  -7.917  -3.211  -3.211
   97    H    TYR  14           HN       TYR  14  -3.081  -2.607  -2.607
   98    HA   TYR  14           HA       TYR  14  -3.441  -2.875  -2.875
   99   1HB   TYR  14           HB2      TYR  14  -1.193  -1.746  -1.746
  100   2HB   TYR  14           HB1      TYR  14  -0.633  -3.085  -3.085
  101    HD1  TYR  14           HD1      TYR  14  -1.906  -2.805  -2.805
  102    HD2  TYR  14           HD2      TYR  14  -0.355   0.187   0.187
  103    HE1  TYR  14           HE1      TYR  14  -1.552  -1.295  -1.295
  104    HE2  TYR  14           HE2      TYR  14  -0.080   1.745   1.745
  105    HH   TYR  14           HH       TYR  14  -0.901   0.810   0.810
  106    H    HIS  15           HN       HIS  15  -3.138  -5.235  -5.235
  107    HA   HIS  15           HA       HIS  15  -3.213  -6.677  -6.677
  108   1HB   HIS  15           HB2      HIS  15  -3.682  -7.535  -7.535
  109   2HB   HIS  15           HB1      HIS  15  -3.502  -8.713  -8.713
  110    HD1  HIS  15           HD1      HIS  15  -5.667  -5.567  -5.567
  111    HD2  HIS  15           HD2      HIS  15  -5.837  -9.396  -9.396
  112    HE1  HIS  15           HE1      HIS  15  -7.981  -5.851  -5.851
  113    HE2  HIS  15           HE2      HIS  15  -8.045  -8.172  -8.172
  114    H    CYS  16           HN       CYS  16  -1.645  -8.160  -8.160
  115    HA   CYS  16           HA       CYS  16   0.948  -7.618  -7.618
  116   1HB   CYS  16           HB2      CYS  16   0.332  -7.617  -7.617
  117   2HB   CYS  16           HB1      CYS  16   0.508  -9.384  -9.384
  118    H    PHE  17           HN       PHE  17   2.345  -9.925  -9.925
  119    HA   PHE  17           HA       PHE  17   0.906 -11.949 -11.949
  120   1HB   PHE  17           HB2      PHE  17   3.786 -10.788 -10.788
  121   2HB   PHE  17           HB1      PHE  17   3.096 -12.209 -12.209
  122    HD1  PHE  17           HD2      PHE  17   1.403 -11.888 -11.888
  123    HD2  PHE  17           HD1      PHE  17   3.005  -8.486  -8.486
  124    HE1  PHE  17           HE2      PHE  17   0.400 -10.382 -10.382
  125    HE2  PHE  17           HE1      PHE  17   1.999  -6.984  -6.984
  126    HZ   PHE  17           HZ       PHE  17   0.694  -7.922  -7.922
  127    HA   PRO  18           HA       PRO  18   3.123 -13.619 -13.619
  128   1HB   PRO  18           HB2      PRO  18   2.035 -16.103 -16.103
  129   2HB   PRO  18           HB1      PRO  18   2.262 -15.921 -15.921
  130   1HG   PRO  18           HG1      PRO  18  -0.198 -15.526 -15.526
  131   2HG   PRO  18           HG2      PRO  18   0.387 -14.378 -14.378
  132   1HD   PRO  18           HD1      PRO  18   0.214 -13.911 -13.911
  133   2HD   PRO  18           HD2      PRO  18   0.121 -12.744 -12.744
  134    H    GLY  19           HN       GLY  19   4.801 -12.679 -12.679
  135   1HA   GLY  19           HA2      GLY  19   7.049 -14.235 -14.235
  136   2HA   GLY  19           HA1      GLY  19   6.118 -14.002 -14.002
  137    H    SER  20           HN       SER  20   7.298 -12.363 -12.363
  138    HA   SER  20           HA       SER  20   5.988 -10.179 -10.179
  139   1HB   SER  20           HB2      SER  20   8.945 -10.260 -10.260
  140   2HB   SER  20           HB1      SER  20   7.555  -9.506  -9.506
  141    HG   SER  20           HG       SER  20   8.297 -11.573 -11.573
  142    H    SER  21           HN       SER  21   9.012 -10.683 -10.683
  143    HA   SER  21           HA       SER  21   9.549  -8.086  -8.086
  144   1HB   SER  21           HB2      SER  21  10.222 -10.533 -10.533
  145   2HB   SER  21           HB1      SER  21  11.099  -8.950  -8.950
  146    HG   SER  21           HG       SER  21  11.955  -9.405  -9.405
  147    H    GLY  22           HN       GLY  22   6.932  -9.903  -9.903
  148   1HA   GLY  22           HA2      GLY  22   6.866  -8.429  -8.429
  149   2HA   GLY  22           HA1      GLY  22   5.468  -9.177  -9.177
  150    H    CYS  23           HN       CYS  23   5.345  -7.804  -7.804
  151    HA   CYS  23           HA       CYS  23   4.422  -5.268  -5.268
  152   1HB   CYS  23           HB2      CYS  23   3.091  -6.890  -6.890
  153   2HB   CYS  23           HB1      CYS  23   3.940  -5.933  -5.933
  154    H    ASP  24           HN       ASP  24   7.042  -6.561  -6.561
  155    HA   ASP  24           HA       ASP  24   7.791  -4.089  -4.089
  156   1HB   ASP  24           HB2      ASP  24   8.783  -6.468  -6.468
  157   2HB   ASP  24           HB1      ASP  24   9.847  -6.173  -6.173
  158    H    THR  25           HN       THR  25   8.340  -5.551  -5.551
  159    HA   THR  25           HA       THR  25  10.025  -3.489  -3.489
  160    HB   THR  25           HB       THR  25   8.047  -5.111  -5.111
  161    HG1  THR  25           HG1      THR  25   9.423  -6.509  -6.509
  162   1HG2  THR  25          HG21      THR  25  10.680  -3.620  -3.620
  163   2HG2  THR  25          HG23      THR  25   9.723  -4.656  -4.656
  164   3HG2  THR  25          HG22      THR  25   9.024  -3.126  -3.126
  165    H    LEU  26           HN       LEU  26   6.391  -3.860  -3.860
  166    HA   LEU  26           HA       LEU  26   5.914  -1.454  -1.454
  167   1HB   LEU  26           HB2      LEU  26   4.122  -2.767  -2.767
  168   2HB   LEU  26           HB1      LEU  26   3.647  -1.468  -1.468
  169    HG   LEU  26           HG       LEU  26   4.462  -4.325  -4.325
  170   1HD1  LEU  26          HD12      LEU  26   2.208  -4.164  -4.164
  171   2HD1  LEU  26          HD11      LEU  26   1.735  -2.871  -2.871
  172   3HD1  LEU  26          HD13      LEU  26   2.075  -4.541  -4.541
  173   1HD2  LEU  26          HD22      LEU  26   3.543  -2.010  -2.010
  174   2HD2  LEU  26          HD21      LEU  26   5.185  -2.763  -2.763
  175   3HD2  LEU  26          HD23      LEU  26   3.768  -3.730  -3.730
  176    H    CYS  27           HN       CYS  27   6.144  -2.178  -2.178
  177    HA   CYS  27           HA       CYS  27   5.733   0.340   0.340
  178   1HB   CYS  27           HB2      CYS  27   6.034  -1.825  -1.825
  179   2HB   CYS  27           HB1      CYS  27   7.787  -1.754  -1.754
  180    H    LYS  28           HN       LYS  28   8.822  -1.132  -1.132
  181    HA   LYS  28           HA       LYS  28  10.355   1.059   1.059
  182   1HB   LYS  28           HB2      LYS  28  11.090  -1.385  -1.385
  183   2HB   LYS  28           HB1      LYS  28  11.079  -0.810  -0.810
  184   1HG   LYS  28           HG2      LYS  28  13.352  -0.607  -0.607
  185   2HG   LYS  28           HG1      LYS  28  12.694   1.061   1.061
  186   1HD   LYS  28           HD2      LYS  28  12.177   0.672   0.672
  187   2HD   LYS  28           HD1      LYS  28  13.085  -0.867  -0.867
  188   1HE   LYS  28           HE2      LYS  28  14.548   0.896   0.896
  189   2HE   LYS  28           HE1      LYS  28  15.134   0.480   0.480
  190   1HZ   LYS  28           HZ3      LYS  28  13.395   2.785   2.785
  191   2HZ   LYS  28           HZ2      LYS  28  15.059   2.849   2.849
  192   3HZ   LYS  28           HZ1      LYS  28  13.960   2.402   2.402
  193    H    GLU  29           HN       GLU  29   8.700   0.319   0.319
  194    HA   GLU  29           HA       GLU  29   9.954   2.568   2.568
  195   1HB   GLU  29           HB2      GLU  29   8.486   2.211   2.211
  196   2HB   GLU  29           HB1      GLU  29   9.338   0.719   0.719
  197   1HG   GLU  29           HG2      GLU  29   7.244  -0.004  -0.004
  198   2HG   GLU  29           HG1      GLU  29   6.364   1.414   1.414
  199    H    LYS  30           HN       LYS  30   6.937   2.235   2.235
  200    HA   LYS  30           HA       LYS  30   6.043   4.855   4.855
  201   1HB   LYS  30           HB2      LYS  30   5.326   3.280   3.280
  202   2HB   LYS  30           HB1      LYS  30   4.542   4.806   4.806
  203   1HG   LYS  30           HG2      LYS  30   4.453   2.106   2.106
  204   2HG   LYS  30           HG1      LYS  30   3.142   2.826   2.826
  205   1HD   LYS  30           HD2      LYS  30   2.918   4.691   4.691
  206   2HD   LYS  30           HD1      LYS  30   4.294   4.018   4.018
  207   1HE   LYS  30           HE2      LYS  30   3.019   1.892   1.892
  208   2HE   LYS  30           HE1      LYS  30   1.598   2.584   2.584
  209   1HZ   LYS  30           HZ2      LYS  30   2.721   4.178   4.178
  210   2HZ   LYS  30           HZ1      LYS  30   1.942   2.734   2.734
  211   3HZ   LYS  30           HZ3      LYS  30   1.106   3.913   3.913
  212    H    GLY  31           HN       GLY  31   7.980   3.443   3.443
  213   1HA   GLY  31           HA2      GLY  31  10.001   4.589   4.589
  214   2HA   GLY  31           HA1      GLY  31   9.108   6.158   6.158
  215    H    GLY  32           HN       GLY  32   8.322   2.923   2.923
  216   1HA   GLY  32           HA2      GLY  32   8.450   4.103   4.103
  217   2HA   GLY  32           HA1      GLY  32   7.720   2.530   2.530
  218    H    THR  33           HN       THR  33  10.099   3.238   3.238
  219    HA   THR  33           HA       THR  33  12.331   2.476   2.476
  220    HB   THR  33           HB       THR  33  12.527   3.830   3.830
  221    HG1  THR  33           HG1      THR  33  11.146   5.106   5.106
  222   1HG2  THR  33          HG21      THR  33  14.295   3.852   3.852
  223   2HG2  THR  33          HG23      THR  33  14.637   4.730   4.730
  224   3HG2  THR  33          HG22      THR  33  14.658   2.933   2.933
  225    H    SER  34           HN       SER  34  10.169   0.925   0.925
  226    HA   SER  34           HA       SER  34  11.721  -1.329  -1.329
  227   1HB   SER  34           HB2      SER  34  11.088  -0.478  -0.478
  228   2HB   SER  34           HB1      SER  34  11.486  -2.172  -2.172
  229    HG   SER  34           HG       SER  34  13.213  -0.109  -0.109
  230    H    GLY  35           HN       GLY  35   9.920  -3.237  -3.237
  231   1HA   GLY  35           HA2      GLY  35   7.390  -2.374  -2.374
  232   2HA   GLY  35           HA1      GLY  35   7.647  -2.477  -2.477
  233    H    HIS  36           HN       HIS  36   5.895  -4.407  -4.407
  234    HA   HIS  36           HA       HIS  36   7.082  -6.801  -6.801
  235   1HB   HIS  36           HB2      HIS  36   6.876  -7.958  -7.958
  236   2HB   HIS  36           HB1      HIS  36   8.219  -6.781  -6.781
  237    HD1  HIS  36           HD1      HIS  36   7.580  -4.374  -4.374
  238    HD2  HIS  36           HD2      HIS  36   5.125  -7.641  -7.641
  239    HE1  HIS  36           HE1      HIS  36   6.308  -3.777  -3.777
  240    HE2  HIS  36           HE2      HIS  36   4.851  -5.777  -5.777
  241    H    CYS  37           HN       CYS  37   5.085  -8.449  -8.449
  242    HA   CYS  37           HA       CYS  37   2.706  -7.096  -7.096
  243   1HB   CYS  37           HB2      CYS  37   3.143  -9.991  -9.991
  244   2HB   CYS  37           HB1      CYS  37   1.634  -9.388  -9.388
  245    H    GLY  38           HN       GLY  38   0.552  -7.445  -7.445
  246   1HA   GLY  38           HA2      GLY  38   0.738  -8.055  -8.055
  247   2HA   GLY  38           HA1      GLY  38   0.580  -6.257  -6.257
  248    H    PHE  39           HN       PHE  39  -1.816  -7.056  -7.056
  249    HA   PHE  39           HA       PHE  39  -3.466  -7.361  -7.361
  250   1HB   PHE  39           HB2      PHE  39  -3.234  -9.679  -9.679
  251   2HB   PHE  39           HB1      PHE  39  -3.944  -8.854  -8.854
  252    HD1  PHE  39           HD1      PHE  39  -6.343  -7.906  -7.906
  253    HD2  PHE  39           HD2      PHE  39  -4.580 -10.612 -10.612
  254    HE1  PHE  39           HE1      PHE  39  -8.595  -8.576  -8.576
  255    HE2  PHE  39           HE2      PHE  39  -6.828 -11.286 -11.286
  256    HZ   PHE  39           HZ       PHE  39  -8.844 -10.281 -10.281
  257    H    LYS  40           HN       LYS  40  -5.218  -5.829  -5.829
  258    HA   LYS  40           HA       LYS  40  -4.816  -4.251  -4.251
  259   1HB   LYS  40           HB2      LYS  40  -4.441  -3.039  -3.039
  260   2HB   LYS  40           HB1      LYS  40  -6.168  -3.331  -3.331
  261   1HG   LYS  40           HG2      LYS  40  -4.942  -1.672  -1.672
  262   2HG   LYS  40           HG1      LYS  40  -5.759  -1.053  -1.053
  263   1HD   LYS  40           HD2      LYS  40  -7.923  -2.103  -2.103
  264   2HD   LYS  40           HD1      LYS  40  -7.080  -2.550  -2.550
  265   1HE   LYS  40           HE2      LYS  40  -6.558  -0.105  -0.105
  266   2HE   LYS  40           HE1      LYS  40  -7.570   0.317   0.317
  267   1HZ   LYS  40           HZ2      LYS  40  -8.482  -1.176  -1.176
  268   2HZ   LYS  40           HZ1      LYS  40  -8.779   0.457   0.457
  269   3HZ   LYS  40           HZ3      LYS  40  -9.438  -0.748  -0.748
  270    H    VAL  41           HN       VAL  41  -6.255  -5.360  -5.360
  271    HA   VAL  41           HA       VAL  41  -8.532  -6.652  -6.652
  272    HB   VAL  41           HB       VAL  41  -8.168  -5.950  -5.950
  273   1HG1  VAL  41          HG13      VAL  41 -10.378  -6.938  -6.938
  274   2HG1  VAL  41          HG12      VAL  41  -9.427  -8.403  -8.403
  275   3HG1  VAL  41          HG11      VAL  41  -9.573  -7.928  -7.928
  276   1HG2  VAL  41          HG22      VAL  41  -6.910  -8.321  -8.321
  277   2HG2  VAL  41          HG21      VAL  41  -5.995  -6.981  -6.981
  278   3HG2  VAL  41          HG23      VAL  41  -6.943  -8.126  -8.126
  279    H    GLY  42           HN       GLY  42 -10.389  -5.619  -5.619
  280   1HA   GLY  42           HA2      GLY  42 -11.987  -3.837  -3.837
  281   2HA   GLY  42           HA1      GLY  42 -10.528  -2.770  -2.770
  282    H    HIS  43           HN       HIS  43  -9.284  -4.267  -4.267
  283    HA   HIS  43           HA       HIS  43 -11.300  -3.844  -3.844
  284   1HB   HIS  43           HB2      HIS  43  -8.362  -2.970  -2.970
  285   2HB   HIS  43           HB1      HIS  43  -9.276  -3.270  -3.270
  286    HD1  HIS  43           HD1      HIS  43  -8.446  -0.594  -0.594
  287    HD2  HIS  43           HD2      HIS  43 -11.887  -1.575  -1.575
  288    HE1  HIS  43           HE1      HIS  43  -9.903   1.462   1.462
  289    HE2  HIS  43           HE2      HIS  43 -11.950   0.845   0.845
  290    H    GLY  44           HN       GLY  44  -7.881  -5.287  -5.287
  291   1HA   GLY  44           HA2      GLY  44  -8.639  -7.828  -7.828
  292   2HA   GLY  44           HA1      GLY  44  -8.593  -7.029  -7.029
  293    H    LEU  45           HN       LEU  45  -6.721  -8.367  -8.367
  294    HA   LEU  45           HA       LEU  45  -4.307  -8.245  -8.245
  295   1HB   LEU  45           HB2      LEU  45  -5.077 -10.076 -10.076
  296   2HB   LEU  45           HB1      LEU  45  -4.961  -8.879  -8.879
  297    HG   LEU  45           HG       LEU  45  -2.472  -8.726  -8.726
  298   1HD1  LEU  45          HD13      LEU  45  -2.923 -11.207 -11.207
  299   2HD1  LEU  45          HD12      LEU  45  -1.338 -10.598 -10.598
  300   3HD1  LEU  45          HD11      LEU  45  -2.304  -9.597  -9.597
  301   1HD2  LEU  45          HD23      LEU  45  -3.455 -10.136 -10.136
  302   2HD2  LEU  45          HD22      LEU  45  -1.973 -10.894 -10.894
  303   3HD2  LEU  45          HD21      LEU  45  -3.590 -11.523 -11.523
  304    H    ALA  46           HN       ALA  46  -2.497  -6.661  -6.661
  305    HA   ALA  46           HA       ALA  46  -3.120  -4.467  -4.467
  306   1HB   ALA  46           HB2      ALA  46  -2.615  -4.159  -4.159
  307   2HB   ALA  46           HB1      ALA  46  -2.763  -2.806  -2.806
  308   3HB   ALA  46           HB3      ALA  46  -4.182  -3.839  -3.839
  309    H    CYS  47           HN       CYS  47  -0.795  -2.964  -2.964
  310    HA   CYS  47           HA       CYS  47   1.240  -5.083  -5.083
  311   1HB   CYS  47           HB2      CYS  47   1.532  -2.783  -2.783
  312   2HB   CYS  47           HB1      CYS  47   2.776  -4.010  -4.010
  313    H    TRP  48           HN       TRP  48   3.248  -3.975  -3.975
  314    HA   TRP  48           HA       TRP  48   2.273  -1.649  -1.649
  315   1HB   TRP  48           HB2      TRP  48   2.376  -3.693  -3.693
  316   2HB   TRP  48           HB1      TRP  48   4.056  -3.991  -3.991
  317    HD1  TRP  48           HD1      TRP  48   5.957  -2.276  -2.276
  318    HE1  TRP  48           HE1      TRP  48   6.084  -0.625  -0.625
  319    HE3  TRP  48           HE3      TRP  48   1.032  -2.273  -2.273
  320    HZ2  TRP  48           HZ2      TRP  48   4.258   0.471   0.471
  321    HZ3  TRP  48           HZ3      TRP  48   0.254  -0.889  -0.889
  322    HH2  TRP  48           HH2      TRP  48   1.847   0.466   0.466
  323    H    CYS  49           HN       CYS  49   3.922  -0.001  -0.001
  324    HA   CYS  49           HA       CYS  49   6.473  -0.477  -0.477
  325   1HB   CYS  49           HB2      CYS  49   4.664   1.931   1.931
  326   2HB   CYS  49           HB1      CYS  49   6.435   1.902   1.902
  327    H    ASN  50           HN       ASN  50   8.028   0.831   0.831
  328    HA   ASN  50           HA       ASN  50   7.037   2.544   2.544
  329   1HB   ASN  50           HB2      ASN  50   9.493   0.709   0.709
  330   2HB   ASN  50           HB1      ASN  50   9.721   2.325   2.325
  331   1HD2  ASN  50          HD22      ASN  50   8.571   1.237   1.237
  332   2HD2  ASN  50          HD21      ASN  50   9.689   2.190   2.190
  333    H    ALA  51           HN       ALA  51   7.712   4.659   4.659
  334    HA   ALA  51           HA       ALA  51   8.669   6.406   6.406
  335   1HB   ALA  51           HB2      ALA  51  10.949   4.617   4.617
  336   2HB   ALA  51           HB1      ALA  51  11.020   6.414   6.414
  337   3HB   ALA  51           HB3      ALA  51  10.831   5.463   5.463
  338    H    LEU  52           HN       LEU  52   6.709   6.284   6.284
  339    HA   LEU  52           HA       LEU  52   7.348   6.343   6.343
  340   1HB   LEU  52           HB2      LEU  52   4.716   6.171   6.171
  341   2HB   LEU  52           HB1      LEU  52   4.698   6.838   6.838
  342    HG   LEU  52           HG       LEU  52   5.840   4.073   4.073
  343   1HD1  LEU  52          HD13      LEU  52   3.457   4.163   4.163
  344   2HD1  LEU  52          HD12      LEU  52   2.951   4.834   4.834
  345   3HD1  LEU  52          HD11      LEU  52   3.607   3.164   3.164
  346   1HD2  LEU  52          HD21      LEU  52   6.339   5.289   5.289
  347   2HD2  LEU  52          HD23      LEU  52   5.551   3.681   3.681
  348   3HD2  LEU  52          HD22      LEU  52   4.583   5.177   5.177
  349    HA   PRO  53           HA       PRO  53   7.159  10.718  10.718
  350   1HB   PRO  53           HB2      PRO  53   7.014  11.846  11.846
  351   2HB   PRO  53           HB1      PRO  53   8.496  10.993  10.993
  352   1HG   PRO  53           HG1      PRO  53   6.237   9.847   9.847
  353   2HG   PRO  53           HG2      PRO  53   8.013   9.768   9.768
  354   1HD   PRO  53           HD1      PRO  53   6.603   7.703   7.703
  355   2HD   PRO  53           HD2      PRO  53   8.310   8.099   8.099
  356    H    ASP  54           HN       ASP  54   5.708  12.644  12.644
  357    HA   ASP  54           HA       ASP  54   3.099  11.793  11.793
  358   1HB   ASP  54           HB2      ASP  54   4.117  14.640  14.640
  359   2HB   ASP  54           HB1      ASP  54   2.582  14.163  14.163
  360    H    ASN  55           HN       ASN  55   4.491  12.103  12.103
  361    HA   ASN  55           HA       ASN  55   2.149  13.298  13.298
  362   1HB   ASN  55           HB2      ASN  55   3.283  12.984  12.984
  363   2HB   ASN  55           HB1      ASN  55   4.302  13.892  13.892
  364   1HD2  ASN  55          HD21      ASN  55   5.531  10.150  10.150
  365   2HD2  ASN  55          HD22      ASN  55   3.865  10.620  10.620
  366    H    VAL  56           HN       VAL  56   2.619  10.396  10.396
  367    HA   VAL  56           HA       VAL  56   1.269   8.872   8.872
  368    HB   VAL  56           HB       VAL  56   2.491   7.780   7.780
  369   1HG1  VAL  56          HG11      VAL  56   1.882   6.521   6.521
  370   2HG1  VAL  56          HG13      VAL  56   2.554   5.664   5.664
  371   3HG1  VAL  56          HG12      VAL  56   0.875   6.301   6.301
  372   1HG2  VAL  56          HG23      VAL  56   3.903   8.286   8.286
  373   2HG2  VAL  56          HG22      VAL  56   4.313   9.015   9.015
  374   3HG2  VAL  56          HG21      VAL  56   4.554   7.278   7.278
  375    H    GLY  57           HN       GLY  57  -0.849   7.816   7.816
  376   1HA   GLY  57           HA2      GLY  57  -1.801   8.823   8.823
  377   2HA   GLY  57           HA1      GLY  57  -2.802   8.986   8.986
  378    H    ILE  58           HN       ILE  58  -3.177   7.034   7.034
  379    HA   ILE  58           HA       ILE  58  -2.347   4.497   4.497
  380    HB   ILE  58           HB       ILE  58  -1.234   3.932   3.932
  381   1HG1  ILE  58          HG12      ILE  58  -1.369   6.965   6.965
  382   2HG1  ILE  58          HG11      ILE  58  -2.310   5.708   5.708
  383   1HG2  ILE  58          HG21      ILE  58  -0.022   4.754   4.754
  384   2HG2  ILE  58          HG23      ILE  58   0.089   6.369   6.369
  385   3HG2  ILE  58          HG22      ILE  58   0.873   4.944   4.944
  386   1HD1  ILE  58          HD12      ILE  58  -0.109   4.571   4.571
  387   2HD1  ILE  58          HD11      ILE  58   0.763   5.997   5.997
  388   3HD1  ILE  58          HD13      ILE  58  -0.349   6.213   6.213
  389    H    ILE  59           HN       ILE  59  -2.917   3.502   3.502
  390    HA   ILE  59           HA       ILE  59  -5.778   3.337   3.337
  391    HB   ILE  59           HB       ILE  59  -3.621   2.399   2.399
  392   1HG1  ILE  59          HG12      ILE  59  -4.672   0.190   0.190
  393   2HG1  ILE  59          HG11      ILE  59  -5.998   0.920   0.920
  394   1HG2  ILE  59          HG21      ILE  59  -6.645   2.353   2.353
  395   2HG2  ILE  59          HG23      ILE  59  -5.371   1.497   1.497
  396   3HG2  ILE  59          HG22      ILE  59  -5.397   3.286   3.286
  397   1HD1  ILE  59          HD12      ILE  59  -3.028   0.792   0.792
  398   2HD1  ILE  59          HD11      ILE  59  -4.366  -0.227  -0.227
  399   3HD1  ILE  59          HD13      ILE  59  -4.376   1.537   1.537
  400    H    VAL  60           HN       VAL  60  -7.073   5.000   5.000
  401    HA   VAL  60           HA       VAL  60  -5.792   7.254   7.254
  402    HB   VAL  60           HB       VAL  60  -7.330   6.739   6.739
  403   1HG1  VAL  60          HG13      VAL  60  -7.906   9.347   9.347
  404   2HG1  VAL  60          HG12      VAL  60  -8.287   9.001   9.001
  405   3HG1  VAL  60          HG11      VAL  60  -9.094   8.049   8.049
  406   1HG2  VAL  60          HG22      VAL  60  -4.916   7.342   7.342
  407   2HG2  VAL  60          HG21      VAL  60  -5.869   8.558   8.558
  408   3HG2  VAL  60          HG23      VAL  60  -5.333   8.930   8.930
  409    H    GLU  61           HN       GLU  61  -8.087   4.955   4.955
  410    HA   GLU  61           HA       GLU  61  -8.798   5.570   5.570
  411   1HB   GLU  61           HB2      GLU  61 -10.455   7.238   7.238
  412   2HB   GLU  61           HB1      GLU  61 -11.296   5.744   5.744
  413   1HG   GLU  61           HG2      GLU  61 -12.438   6.764   6.764
  414   2HG   GLU  61           HG1      GLU  61 -11.703   5.220   5.220
  415    H    GLY  62           HN       GLY  62 -10.904   3.654   3.654
  416   1HA   GLY  62           HA2      GLY  62 -10.295   1.654   1.654
  417   2HA   GLY  62           HA1      GLY  62 -10.410   1.254   1.254
  418    H    GLU  63           HN       GLU  63 -12.111   2.990   2.990
  419    HA   GLU  63           HA       GLU  63 -14.614   2.692   2.692
  420   1HB   GLU  63           HB2      GLU  63 -14.026   5.059   5.059
  421   2HB   GLU  63           HB1      GLU  63 -13.831   4.683   4.683
  422   1HG   GLU  63           HG2      GLU  63 -15.991   5.821   5.821
  423   2HG   GLU  63           HG1      GLU  63 -16.269   4.166   4.166
  424    H    LYS  64           HN       LYS  64 -13.537   2.979   2.979
  425    HA   LYS  64           HA       LYS  64 -14.316   0.444   0.444
  426   1HB   LYS  64           HB2      LYS  64 -16.644   1.724   1.724
  427   2HB   LYS  64           HB1      LYS  64 -16.063   2.774   2.774
  428   1HG   LYS  64           HG2      LYS  64 -17.617   1.047   1.047
  429   2HG   LYS  64           HG1      LYS  64 -15.999   0.802   0.802
  430   1HD   LYS  64           HD2      LYS  64 -16.960  -1.349  -1.349
  431   2HD   LYS  64           HD1      LYS  64 -15.568  -1.063  -1.063
  432   1HE   LYS  64           HE2      LYS  64 -17.215  -0.369  -0.369
  433   2HE   LYS  64           HE1      LYS  64 -18.574  -0.733  -0.733
  434   1HZ   LYS  64           HZ2      LYS  64 -17.763  -3.006  -3.006
  435   2HZ   LYS  64           HZ1      LYS  64 -16.520  -2.643  -2.643
  436   3HZ   LYS  64           HZ3      LYS  64 -18.140  -2.547  -2.547
  437    H    CYS  65           HN       CYS  65 -14.083   0.949   0.949
  438    HA   CYS  65           HA       CYS  65 -11.895   2.893   2.893
  439   1HB   CYS  65           HB2      CYS  65 -10.993   0.587   0.587
  440   2HB   CYS  65           HB1      CYS  65 -12.290   0.195   0.195
  441    H    HIS  66           HN       HIS  66 -12.067   4.176   4.176
  442    HA   HIS  66           HA       HIS  66 -14.721   3.991   3.991
  443   1HB   HIS  66           HB2      HIS  66 -14.492   6.428   6.428
  444   2HB   HIS  66           HB1      HIS  66 -14.700   6.043   6.043
  445    HD1  HIS  66           HD1      HIS  66 -12.037   7.330   7.330
  446    HD2  HIS  66           HD2      HIS  66 -12.788   6.977   6.977
  447    HE1  HIS  66           HE1      HIS  66 -10.335   8.774   8.774
  448    HE2  HIS  66           HE2      HIS  66 -10.829   8.542   8.542
  449    H    SER  67           HN       SER  67 -13.189   2.160   2.160
  450    HA   SER  67           HA       SER  67 -11.261   3.042   3.042
  451   1HB   SER  67           HB2      SER  67 -12.119   0.428   0.428
  452   2HB   SER  67           HB1      SER  67 -10.832   0.858   0.858
  453    HG   SER  67           HG       SER  67 -12.565  -0.519  -0.519
  454   1HN   NH2  68           H1       NH2  68 -13.724   4.389   4.389
  455   2HN   NH2  68           H2       NH2  68 -12.897   4.796   4.796

  Start of MODEL   13
    1   1H    VAL   1           HT3      VAL   1   6.988  12.396  12.396
    2   2H    VAL   1           HT2      VAL   1   7.981  11.470  11.470
    3   3H    VAL   1           HT1      VAL   1   8.537  11.920  11.920
    4    HA   VAL   1           HA       VAL   1   6.789  10.648  10.648
    5    HB   VAL   1           HB       VAL   1   7.642   8.338   8.338
    6   1HG1  VAL   1          HG13      VAL   1   8.879   9.762   9.762
    7   2HG1  VAL   1          HG12      VAL   1   9.839  10.496  10.496
    8   3HG1  VAL   1          HG11      VAL   1  10.007   8.747   8.747
    9   1HG2  VAL   1          HG22      VAL   1   7.850   8.565   8.565
   10   2HG2  VAL   1          HG21      VAL   1   9.394   8.048   8.048
   11   3HG2  VAL   1          HG23      VAL   1   9.198   9.752   9.752
   12    H    ARG   2           HN       ARG   2   5.401   8.520   8.520
   13    HA   ARG   2           HA       ARG   2   4.313   8.553   8.553
   14   1HB   ARG   2           HB2      ARG   2   2.177   7.632   7.632
   15   2HB   ARG   2           HB1      ARG   2   2.360   9.277   9.277
   16   1HG   ARG   2           HG2      ARG   2   3.057   6.798   6.798
   17   2HG   ARG   2           HG1      ARG   2   1.367   7.283   7.283
   18   1HD   ARG   2           HD2      ARG   2   3.063   9.601   9.601
   19   2HD   ARG   2           HD1      ARG   2   3.085   8.228   8.228
   20    HE   ARG   2           HE       ARG   2   0.809   8.556   8.556
   21   1HH1  ARG   2          HH11      ARG   2   1.677  10.628  10.628
   22   2HH1  ARG   2          HH12      ARG   2   0.216  11.554  11.554
   23   1HH2  ARG   2          HH21      ARG   2  -1.084   9.804   9.804
   24   2HH2  ARG   2          HH22      ARG   2  -1.372  11.082  11.082
   25    H    ASP   3           HN       ASP   3   3.477   6.000   6.000
   26    HA   ASP   3           HA       ASP   3   5.065   4.292   4.292
   27   1HB   ASP   3           HB2      ASP   3   4.636   3.697   3.697
   28   2HB   ASP   3           HB1      ASP   3   5.622   2.784   2.784
   29    H    GLY   4           HN       GLY   4   3.295   2.620   2.620
   30   1HA   GLY   4           HA2      GLY   4   0.975   2.680   2.680
   31   2HA   GLY   4           HA1      GLY   4   0.819   3.632   3.632
   32    H    TYR   5           HN       TYR   5  -0.742   1.482   1.482
   33    HA   TYR   5           HA       TYR   5   0.862  -0.542  -0.542
   34   1HB   TYR   5           HB2      TYR   5  -2.149  -0.332  -0.332
   35   2HB   TYR   5           HB1      TYR   5  -1.490  -1.486  -1.486
   36    HD1  TYR   5           HD2      TYR   5   0.217  -3.183  -3.183
   37    HD2  TYR   5           HD1      TYR   5  -2.000  -0.869  -0.869
   38    HE1  TYR   5           HE2      TYR   5   0.813  -4.788  -4.788
   39    HE2  TYR   5           HE1      TYR   5  -1.444  -2.514  -2.514
   40    HH   TYR   5           HH       TYR   5   0.682  -5.318  -5.318
   41    H    ILE   6           HN       ILE   6   0.785  -0.468  -0.468
   42    HA   ILE   6           HA       ILE   6  -0.010   2.176   2.176
   43    HB   ILE   6           HB       ILE   6   2.344   1.574   1.574
   44   1HG1  ILE   6          HG12      ILE   6   0.717   1.902   1.902
   45   2HG1  ILE   6          HG11      ILE   6   1.175   3.215   3.215
   46   1HG2  ILE   6          HG23      ILE   6   2.142  -0.860  -0.860
   47   2HG2  ILE   6          HG22      ILE   6   1.242  -0.638  -0.638
   48   3HG2  ILE   6          HG21      ILE   6   2.960  -0.145  -0.145
   49   1HD1  ILE   6          HD13      ILE   6   3.655   2.499   2.499
   50   2HD1  ILE   6          HD12      ILE   6   2.999   1.520   1.520
   51   3HD1  ILE   6          HD11      ILE   6   2.769   3.305   3.305
   52    H    ALA   7           HN       ALA   7  -1.209   2.385   2.385
   53    HA   ALA   7           HA       ALA   7  -2.957   0.242   0.242
   54   1HB   ALA   7           HB2      ALA   7  -4.161   1.804   1.804
   55   2HB   ALA   7           HB1      ALA   7  -3.719   3.191   3.191
   56   3HB   ALA   7           HB3      ALA   7  -4.850   1.917   1.917
   57    H    GLN   8           HN       GLN   8  -4.354   2.506   2.506
   58    HA   GLN   8           HA       GLN   8  -2.408   3.612   3.612
   59   1HB   GLN   8           HB2      GLN   8  -4.975   2.151   2.151
   60   2HB   GLN   8           HB1      GLN   8  -3.912   3.195   3.195
   61   1HG   GLN   8           HG2      GLN   8  -1.984   1.607   1.607
   62   2HG   GLN   8           HG1      GLN   8  -3.132   0.505   0.505
   63   1HE2  GLN   8          HE21      GLN   8  -4.705  -0.611  -0.611
   64   2HE2  GLN   8          HE22      GLN   8  -5.100  -0.194  -0.194
   65    HA   PRO   9           HA       PRO   9  -4.636   6.408   6.408
   66   1HB   PRO   9           HB2      PRO   9  -4.577   8.799   8.799
   67   2HB   PRO   9           HB1      PRO   9  -3.093   7.906   7.906
   68   1HG   PRO   9           HG1      PRO   9  -4.534   7.694   7.694
   69   2HG   PRO   9           HG2      PRO   9  -2.786   8.085   8.085
   70   1HD   PRO   9           HD1      PRO   9  -3.590   5.505   5.505
   71   2HD   PRO   9           HD2      PRO   9  -2.337   5.827   5.827
   72    H    GLU  10           HN       GLU  10  -6.639   4.810   4.810
   73    HA   GLU  10           HA       GLU  10  -8.823   6.747   6.747
   74   1HB   GLU  10           HB2      GLU  10  -8.760   3.765   3.765
   75   2HB   GLU  10           HB1      GLU  10  -9.979   4.986   4.986
   76   1HG   GLU  10           HG2      GLU  10  -8.247   6.180   6.180
   77   2HG   GLU  10           HG1      GLU  10  -7.012   4.951   4.951
   78    H    ASN  11           HN       ASN  11  -7.399   5.582   5.582
   79    HA   ASN  11           HA       ASN  11  -7.684   4.834   4.834
   80   1HB   ASN  11           HB2      ASN  11  -9.775   6.290   6.290
   81   2HB   ASN  11           HB1      ASN  11 -10.749   4.846   4.846
   82   1HD2  ASN  11          HD22      ASN  11 -10.783   4.575   4.575
   83   2HD2  ASN  11          HD21      ASN  11 -11.670   5.216   5.216
   84    H    CYS  12           HN       CYS  12  -6.755   3.000   3.000
   85    HA   CYS  12           HA       CYS  12  -8.649   0.734   0.734
   86   1HB   CYS  12           HB2      CYS  12  -7.129   2.053   2.053
   87   2HB   CYS  12           HB1      CYS  12  -6.381   0.477   0.477
   88    H    VAL  13           HN       VAL  13  -6.436  -1.155  -1.155
   89    HA   VAL  13           HA       VAL  13  -4.575  -0.931  -0.931
   90    HB   VAL  13           HB       VAL  13  -4.727  -3.481  -3.481
   91   1HG1  VAL  13          HG12      VAL  13  -5.410  -1.878  -1.878
   92   2HG1  VAL  13          HG11      VAL  13  -7.051  -1.764  -1.764
   93   3HG1  VAL  13          HG13      VAL  13  -6.470  -3.322  -3.322
   94   1HG2  VAL  13          HG22      VAL  13  -6.262  -3.945  -3.945
   95   2HG2  VAL  13          HG21      VAL  13  -6.883  -4.594  -4.594
   96   3HG2  VAL  13          HG23      VAL  13  -7.601  -3.087  -3.087
   97    H    TYR  14           HN       TYR  14  -2.715  -2.211  -2.211
   98    HA   TYR  14           HA       TYR  14  -3.068  -2.485  -2.485
   99   1HB   TYR  14           HB2      TYR  14  -0.785  -1.657  -1.657
  100   2HB   TYR  14           HB1      TYR  14  -0.357  -3.194  -3.194
  101    HD1  TYR  14           HD1      TYR  14  -1.732  -3.050  -3.050
  102    HD2  TYR  14           HD2      TYR  14   0.561  -0.126  -0.126
  103    HE1  TYR  14           HE1      TYR  14  -1.279  -1.849  -1.849
  104    HE2  TYR  14           HE2      TYR  14   1.052   1.047   1.047
  105    HH   TYR  14           HH       TYR  14  -0.876   0.555   0.555
  106    H    HIS  15           HN       HIS  15  -3.466  -4.644  -4.644
  107    HA   HIS  15           HA       HIS  15  -4.024  -6.374  -6.374
  108   1HB   HIS  15           HB2      HIS  15  -4.254  -6.839  -6.839
  109   2HB   HIS  15           HB1      HIS  15  -4.766  -8.011  -8.011
  110    HD1  HIS  15           HD1      HIS  15  -5.673  -4.516  -4.516
  111    HD2  HIS  15           HD2      HIS  15  -7.234  -7.569  -7.569
  112    HE1  HIS  15           HE1      HIS  15  -8.032  -3.844  -3.844
  113    HE2  HIS  15           HE2      HIS  15  -8.949  -5.726  -5.726
  114    H    CYS  16           HN       CYS  16  -2.476  -7.377  -7.377
  115    HA   CYS  16           HA       CYS  16   0.089  -7.458  -7.458
  116   1HB   CYS  16           HB2      CYS  16  -0.801  -7.020  -7.020
  117   2HB   CYS  16           HB1      CYS  16  -0.606  -8.775  -8.775
  118    H    PHE  17           HN       PHE  17   1.453  -9.399  -9.399
  119    HA   PHE  17           HA       PHE  17  -0.117 -11.855 -11.855
  120   1HB   PHE  17           HB2      PHE  17   2.518 -10.944 -10.944
  121   2HB   PHE  17           HB1      PHE  17   1.664 -12.509 -12.509
  122    HD1  PHE  17           HD2      PHE  17  -0.809 -12.367 -12.367
  123    HD2  PHE  17           HD1      PHE  17   1.908  -9.041  -9.041
  124    HE1  PHE  17           HE2      PHE  17  -2.281 -11.289 -11.289
  125    HE2  PHE  17           HE1      PHE  17   0.435  -7.975  -7.975
  126    HZ   PHE  17           HZ       PHE  17  -1.669  -9.083  -9.083
  127    HA   PRO  18           HA       PRO  18   2.512 -12.303 -12.303
  128   1HB   PRO  18           HB2      PRO  18   1.361 -15.148 -15.148
  129   2HB   PRO  18           HB1      PRO  18   1.712 -14.290 -14.290
  130   1HG   PRO  18           HG1      PRO  18  -0.838 -14.308 -14.308
  131   2HG   PRO  18           HG2      PRO  18  -0.143 -12.749 -12.749
  132   1HD   PRO  18           HD1      PRO  18  -0.506 -13.619 -13.619
  133   2HD   PRO  18           HD2      PRO  18  -0.637 -11.974 -11.974
  134    H    GLY  19           HN       GLY  19   4.663 -13.018 -13.018
  135   1HA   GLY  19           HA2      GLY  19   6.522 -14.282 -14.282
  136   2HA   GLY  19           HA1      GLY  19   5.751 -13.958 -13.958
  137    H    SER  20           HN       SER  20   4.670 -11.558 -11.558
  138    HA   SER  20           HA       SER  20   4.776  -9.465  -9.465
  139   1HB   SER  20           HB2      SER  20   7.576  -9.412  -9.412
  140   2HB   SER  20           HB1      SER  20   6.299  -8.140  -8.140
  141    HG   SER  20           HG       SER  20   6.417 -10.694 -10.694
  142    H    SER  21           HN       SER  21   6.341 -11.241 -11.241
  143    HA   SER  21           HA       SER  21   8.434  -9.896  -9.896
  144   1HB   SER  21           HB2      SER  21   6.392 -11.229 -11.229
  145   2HB   SER  21           HB1      SER  21   8.192 -11.204 -11.204
  146    HG   SER  21           HG       SER  21   7.498 -13.169 -13.169
  147    H    GLY  22           HN       GLY  22   5.055  -9.411  -9.411
  148   1HA   GLY  22           HA2      GLY  22   5.849  -7.281  -7.281
  149   2HA   GLY  22           HA1      GLY  22   4.178  -7.786  -7.786
  150    H    CYS  23           HN       CYS  23   4.790  -7.574  -7.574
  151    HA   CYS  23           HA       CYS  23   3.811  -4.940  -4.940
  152   1HB   CYS  23           HB2      CYS  23   3.010  -6.554  -6.554
  153   2HB   CYS  23           HB1      CYS  23   4.645  -7.177  -7.177
  154    H    ASP  24           HN       ASP  24   6.940  -6.542  -6.542
  155    HA   ASP  24           HA       ASP  24   7.980  -4.173  -4.173
  156   1HB   ASP  24           HB2      ASP  24   8.813  -6.525  -6.525
  157   2HB   ASP  24           HB1      ASP  24   9.586  -6.544  -6.544
  158    H    THR  25           HN       THR  25   8.041  -5.564  -5.564
  159    HA   THR  25           HA       THR  25   9.764  -3.701  -3.701
  160    HB   THR  25           HB       THR  25   7.326  -4.997  -4.997
  161    HG1  THR  25           HG1      THR  25   8.522  -6.701  -6.701
  162   1HG2  THR  25          HG23      THR  25  10.028  -3.990  -3.990
  163   2HG2  THR  25          HG22      THR  25   8.749  -4.839  -4.839
  164   3HG2  THR  25          HG21      THR  25   8.423  -3.213  -3.213
  165    H    LEU  26           HN       LEU  26   6.127  -3.639  -3.639
  166    HA   LEU  26           HA       LEU  26   5.808  -1.159  -1.159
  167   1HB   LEU  26           HB2      LEU  26   4.117  -2.663  -2.663
  168   2HB   LEU  26           HB1      LEU  26   3.585  -1.093  -1.093
  169    HG   LEU  26           HG       LEU  26   4.295  -3.469  -3.469
  170   1HD1  LEU  26          HD13      LEU  26   1.571  -2.791  -2.791
  171   2HD1  LEU  26          HD12      LEU  26   1.823  -3.945  -3.945
  172   3HD1  LEU  26          HD11      LEU  26   2.555  -4.275  -4.275
  173   1HD2  LEU  26          HD23      LEU  26   2.622  -0.908  -0.908
  174   2HD2  LEU  26          HD22      LEU  26   4.248  -1.267  -1.267
  175   3HD2  LEU  26          HD21      LEU  26   2.824  -2.245  -2.245
  176    H    CYS  27           HN       CYS  27   6.206  -2.094  -2.094
  177    HA   CYS  27           HA       CYS  27   5.924   0.389   0.389
  178   1HB   CYS  27           HB2      CYS  27   6.161  -1.846  -1.846
  179   2HB   CYS  27           HB1      CYS  27   7.923  -1.780  -1.780
  180    H    LYS  28           HN       LYS  28   8.918  -1.092  -1.092
  181    HA   LYS  28           HA       LYS  28  10.578   1.023   1.023
  182   1HB   LYS  28           HB2      LYS  28  10.872  -0.957  -0.957
  183   2HB   LYS  28           HB1      LYS  28  12.110   0.293   0.293
  184   1HG   LYS  28           HG2      LYS  28  12.328  -0.583  -0.583
  185   2HG   LYS  28           HG1      LYS  28  11.206  -1.918  -1.918
  186   1HD   LYS  28           HD2      LYS  28  13.894  -1.359  -1.359
  187   2HD   LYS  28           HD1      LYS  28  13.652  -2.542  -2.542
  188   1HE   LYS  28           HE2      LYS  28  12.290  -2.713  -2.713
  189   2HE   LYS  28           HE1      LYS  28  13.746  -3.644  -3.644
  190   1HZ   LYS  28           HZ2      LYS  28  12.405  -4.613  -4.613
  191   2HZ   LYS  28           HZ1      LYS  28  11.038  -3.764  -3.764
  192   3HZ   LYS  28           HZ3      LYS  28  11.766  -4.933  -4.933
  193    H    GLU  29           HN       GLU  29   8.755   0.537   0.537
  194    HA   GLU  29           HA       GLU  29   9.912   2.875   2.875
  195   1HB   GLU  29           HB2      GLU  29   8.320   2.605   2.605
  196   2HB   GLU  29           HB1      GLU  29   9.238   1.113   1.113
  197   1HG   GLU  29           HG2      GLU  29   7.224   0.308   0.308
  198   2HG   GLU  29           HG1      GLU  29   6.281   1.702   1.702
  199    H    LYS  30           HN       LYS  30   7.111   2.388   2.388
  200    HA   LYS  30           HA       LYS  30   6.094   5.046   5.046
  201   1HB   LYS  30           HB2      LYS  30   5.353   3.063   3.063
  202   2HB   LYS  30           HB1      LYS  30   4.519   4.631   4.631
  203   1HG   LYS  30           HG2      LYS  30   4.645   2.307   2.307
  204   2HG   LYS  30           HG1      LYS  30   3.277   2.660   2.660
  205   1HD   LYS  30           HD2      LYS  30   2.986   4.904   4.904
  206   2HD   LYS  30           HD1      LYS  30   4.284   4.478   4.478
  207   1HE   LYS  30           HE2      LYS  30   1.603   2.974   2.974
  208   2HE   LYS  30           HE1      LYS  30   2.027   4.064   4.064
  209   1HZ   LYS  30           HZ3      LYS  30   3.425   1.534   1.534
  210   2HZ   LYS  30           HZ2      LYS  30   2.260   1.729   1.729
  211   3HZ   LYS  30           HZ1      LYS  30   3.752   2.538   2.538
  212    H    GLY  31           HN       GLY  31   8.668   3.787   3.787
  213   1HA   GLY  31           HA2      GLY  31  10.213   5.171   5.171
  214   2HA   GLY  31           HA1      GLY  31   8.996   6.482   6.482
  215    H    GLY  32           HN       GLY  32   8.391   3.133   3.133
  216   1HA   GLY  32           HA2      GLY  32   8.860   3.967   3.967
  217   2HA   GLY  32           HA1      GLY  32   8.014   2.491   2.491
  218    H    THR  33           HN       THR  33  10.467   2.722   2.722
  219    HA   THR  33           HA       THR  33  12.748   2.506   2.506
  220    HB   THR  33           HB       THR  33  13.567   1.905   1.905
  221    HG1  THR  33           HG1      THR  33  12.012   2.476   2.476
  222   1HG2  THR  33          HG23      THR  33  12.114   4.566   4.566
  223   2HG2  THR  33          HG22      THR  33  13.374   4.362   4.362
  224   3HG2  THR  33          HG21      THR  33  13.796   4.135   4.135
  225    H    SER  34           HN       SER  34  10.649   0.147   0.147
  226    HA   SER  34           HA       SER  34  11.088  -1.740  -1.740
  227   1HB   SER  34           HB2      SER  34  12.355  -2.339  -2.339
  228   2HB   SER  34           HB1      SER  34  11.847  -3.629  -3.629
  229    HG   SER  34           HG       SER  34  13.483  -1.532  -1.532
  230    H    GLY  35           HN       GLY  35   9.617  -3.792  -3.792
  231   1HA   GLY  35           HA2      GLY  35   7.623  -2.750  -2.750
  232   2HA   GLY  35           HA1      GLY  35   7.266  -2.683  -2.683
  233    H    HIS  36           HN       HIS  36   5.751  -4.684  -4.684
  234    HA   HIS  36           HA       HIS  36   6.912  -7.123  -7.123
  235   1HB   HIS  36           HB2      HIS  36   6.092  -6.704  -6.704
  236   2HB   HIS  36           HB1      HIS  36   6.704  -8.228  -8.228
  237    HD1  HIS  36           HD1      HIS  36   9.389  -8.069  -8.069
  238    HD2  HIS  36           HD2      HIS  36   7.900  -4.986  -4.986
  239    HE1  HIS  36           HE1      HIS  36  11.381  -6.895  -6.895
  240    HE2  HIS  36           HE2      HIS  36  10.440  -5.031  -5.031
  241    H    CYS  37           HN       CYS  37   4.803  -8.662  -8.662
  242    HA   CYS  37           HA       CYS  37   2.398  -7.008  -7.008
  243   1HB   CYS  37           HB2      CYS  37   2.657 -10.064 -10.064
  244   2HB   CYS  37           HB1      CYS  37   1.128  -9.145  -9.145
  245    H    GLY  38           HN       GLY  38   0.619  -7.305  -7.305
  246   1HA   GLY  38           HA2      GLY  38   1.328  -8.712  -8.712
  247   2HA   GLY  38           HA1      GLY  38   1.526  -6.899  -6.899
  248    H    PHE  39           HN       PHE  39  -0.827  -7.994  -7.994
  249    HA   PHE  39           HA       PHE  39  -2.880  -6.871  -6.871
  250   1HB   PHE  39           HB2      PHE  39  -2.779  -9.380  -9.380
  251   2HB   PHE  39           HB1      PHE  39  -2.925  -9.848  -9.848
  252    HD1  PHE  39           HD1      PHE  39  -4.742  -7.374  -7.374
  253    HD2  PHE  39           HD2      PHE  39  -5.040 -10.721 -10.721
  254    HE1  PHE  39           HE1      PHE  39  -7.174  -7.457  -7.457
  255    HE2  PHE  39           HE2      PHE  39  -7.479 -10.786 -10.786
  256    HZ   PHE  39           HZ       PHE  39  -8.552  -9.171  -9.171
  257    H    LYS  40           HN       LYS  40  -4.308  -6.098  -6.098
  258    HA   LYS  40           HA       LYS  40  -4.225  -7.135  -7.135
  259   1HB   LYS  40           HB2      LYS  40  -3.314  -4.226  -4.226
  260   2HB   LYS  40           HB1      LYS  40  -4.000  -4.738  -4.738
  261   1HG   LYS  40           HG2      LYS  40  -2.127  -6.320  -6.320
  262   2HG   LYS  40           HG1      LYS  40  -1.405  -5.836  -5.836
  263   1HD   LYS  40           HD2      LYS  40  -1.221  -3.468  -3.468
  264   2HD   LYS  40           HD1      LYS  40  -1.865  -3.967  -3.967
  265   1HE   LYS  40           HE2      LYS  40   0.749  -4.997  -4.997
  266   2HE   LYS  40           HE1      LYS  40   0.645  -3.769  -3.769
  267   1HZ   LYS  40           HZ1      LYS  40  -0.273  -6.592  -6.592
  268   2HZ   LYS  40           HZ3      LYS  40   1.162  -5.958  -5.958
  269   3HZ   LYS  40           HZ2      LYS  40  -0.343  -5.440  -5.440
  270    H    VAL  41           HN       VAL  41  -6.001  -7.469  -7.469
  271    HA   VAL  41           HA       VAL  41  -7.630  -6.975  -6.975
  272    HB   VAL  41           HB       VAL  41  -8.477  -4.652  -4.652
  273   1HG1  VAL  41          HG13      VAL  41  -9.759  -5.183  -5.183
  274   2HG1  VAL  41          HG12      VAL  41 -10.005  -6.850  -6.850
  275   3HG1  VAL  41          HG11      VAL  41 -10.772  -5.460  -5.460
  276   1HG2  VAL  41          HG22      VAL  41  -8.868  -7.659  -7.659
  277   2HG2  VAL  41          HG21      VAL  41  -8.082  -6.428  -6.428
  278   3HG2  VAL  41          HG23      VAL  41  -9.841  -6.347  -6.347
  279    H    GLY  42           HN       GLY  42  -8.408  -4.044  -4.044
  280   1HA   GLY  42           HA2      GLY  42  -6.735  -2.256  -2.256
  281   2HA   GLY  42           HA1      GLY  42  -6.195  -3.577  -3.577
  282    H    HIS  43           HN       HIS  43  -7.713  -4.500  -4.500
  283    HA   HIS  43           HA       HIS  43 -10.455  -3.762  -3.762
  284   1HB   HIS  43           HB2      HIS  43  -8.778  -3.122  -3.122
  285   2HB   HIS  43           HB1      HIS  43 -10.543  -3.307  -3.307
  286    HD1  HIS  43           HD1      HIS  43  -8.942  -0.800  -0.800
  287    HD2  HIS  43           HD2      HIS  43 -10.860  -1.153  -1.153
  288    HE1  HIS  43           HE1      HIS  43  -9.424   1.533   1.533
  289    HE2  HIS  43           HE2      HIS  43 -10.567   1.290   1.290
  290    H    GLY  44           HN       GLY  44  -7.975  -4.806  -4.806
  291   1HA   GLY  44           HA2      GLY  44  -8.610  -7.629  -7.629
  292   2HA   GLY  44           HA1      GLY  44  -8.071  -6.934  -6.934
  293    H    LEU  45           HN       LEU  45  -6.072  -8.363  -8.363
  294    HA   LEU  45           HA       LEU  45  -4.417  -7.832  -7.832
  295   1HB   LEU  45           HB2      LEU  45  -4.818 -10.073 -10.073
  296   2HB   LEU  45           HB1      LEU  45  -3.431  -9.450  -9.450
  297    HG   LEU  45           HG       LEU  45  -3.436  -9.780  -9.780
  298   1HD1  LEU  45          HD11      LEU  45  -3.990 -11.981 -11.981
  299   2HD1  LEU  45          HD13      LEU  45  -2.593 -11.882 -11.882
  300   3HD1  LEU  45          HD12      LEU  45  -2.309 -12.002 -12.002
  301   1HD2  LEU  45          HD23      LEU  45  -1.554  -8.365  -8.365
  302   2HD2  LEU  45          HD22      LEU  45  -1.008  -9.811  -9.811
  303   3HD2  LEU  45          HD21      LEU  45  -1.024  -9.852  -9.852
  304    H    ALA  46           HN       ALA  46  -3.148  -6.044  -6.044
  305    HA   ALA  46           HA       ALA  46  -2.867  -4.546  -4.546
  306   1HB   ALA  46           HB2      ALA  46  -4.016  -3.511  -3.511
  307   2HB   ALA  46           HB1      ALA  46  -2.464  -3.654  -3.654
  308   3HB   ALA  46           HB3      ALA  46  -2.588  -2.578  -2.578
  309    H    CYS  47           HN       CYS  47  -0.657  -2.941  -2.941
  310    HA   CYS  47           HA       CYS  47   1.464  -5.000  -5.000
  311   1HB   CYS  47           HB2      CYS  47   1.180  -4.488  -4.488
  312   2HB   CYS  47           HB1      CYS  47   1.045  -2.747  -2.747
  313    H    TRP  48           HN       TRP  48   3.389  -4.068  -4.068
  314    HA   TRP  48           HA       TRP  48   2.559  -1.716  -1.716
  315   1HB   TRP  48           HB2      TRP  48   3.143  -3.691  -3.691
  316   2HB   TRP  48           HB1      TRP  48   4.687  -3.884  -3.884
  317    HD1  TRP  48           HD1      TRP  48   6.795  -2.673  -2.673
  318    HE1  TRP  48           HE1      TRP  48   7.152  -1.123  -1.123
  319    HE3  TRP  48           HE3      TRP  48   1.903  -1.676  -1.676
  320    HZ2  TRP  48           HZ2      TRP  48   5.520   0.489   0.489
  321    HZ3  TRP  48           HZ3      TRP  48   1.354  -0.150  -0.150
  322    HH2  TRP  48           HH2      TRP  48   3.144   0.929   0.929
  323    H    CYS  49           HN       CYS  49   4.129   0.103   0.103
  324    HA   CYS  49           HA       CYS  49   6.578  -0.280  -0.280
  325   1HB   CYS  49           HB2      CYS  49   4.607   2.039   2.039
  326   2HB   CYS  49           HB1      CYS  49   6.376   2.179   2.179
  327    H    ASN  50           HN       ASN  50   8.158   0.938   0.938
  328    HA   ASN  50           HA       ASN  50   7.114   1.672   1.672
  329   1HB   ASN  50           HB2      ASN  50   8.870  -0.317  -0.317
  330   2HB   ASN  50           HB1      ASN  50  10.066   1.015   1.015
  331   1HD2  ASN  50          HD22      ASN  50   9.302   1.607   1.607
  332   2HD2  ASN  50          HD21      ASN  50   9.492   2.521   2.521
  333    H    ALA  51           HN       ALA  51   7.426   3.511   3.511
  334    HA   ALA  51           HA       ALA  51   7.849   5.771   5.771
  335   1HB   ALA  51           HB3      ALA  51  10.071   5.016   5.016
  336   2HB   ALA  51           HB2      ALA  51   9.723   6.691   6.691
  337   3HB   ALA  51           HB1      ALA  51  10.364   5.460   5.460
  338    H    LEU  52           HN       LEU  52   6.891   7.230   7.230
  339    HA   LEU  52           HA       LEU  52   7.183   6.547   6.547
  340   1HB   LEU  52           HB2      LEU  52   4.364   6.619   6.619
  341   2HB   LEU  52           HB1      LEU  52   4.606   7.222   7.222
  342    HG   LEU  52           HG       LEU  52   5.319   4.381   4.381
  343   1HD1  LEU  52          HD11      LEU  52   2.914   4.810   4.810
  344   2HD1  LEU  52          HD13      LEU  52   2.729   5.282   5.282
  345   3HD1  LEU  52          HD12      LEU  52   3.230   3.604   3.604
  346   1HD2  LEU  52          HD23      LEU  52   6.467   5.217   5.217
  347   2HD2  LEU  52          HD22      LEU  52   5.378   3.834   3.834
  348   3HD2  LEU  52          HD21      LEU  52   4.864   5.498   5.498
  349    HA   PRO  53           HA       PRO  53   6.976  10.945  10.945
  350   1HB   PRO  53           HB2      PRO  53   6.519  12.156  12.156
  351   2HB   PRO  53           HB1      PRO  53   8.122  11.486  11.486
  352   1HG   PRO  53           HG1      PRO  53   6.011  10.227  10.227
  353   2HG   PRO  53           HG2      PRO  53   7.806  10.212  10.212
  354   1HD   PRO  53           HD1      PRO  53   6.269   8.104   8.104
  355   2HD   PRO  53           HD2      PRO  53   8.023   8.368   8.368
  356    H    ASP  54           HN       ASP  54   5.267  12.686  12.686
  357    HA   ASP  54           HA       ASP  54   2.940  11.311  11.311
  358   1HB   ASP  54           HB2      ASP  54   3.606  14.294  14.294
  359   2HB   ASP  54           HB1      ASP  54   2.153  13.599  13.599
  360    H    ASN  55           HN       ASN  55   3.705  12.508  12.508
  361    HA   ASN  55           HA       ASN  55   1.033  13.480  13.480
  362   1HB   ASN  55           HB2      ASN  55   1.820  13.972  13.972
  363   2HB   ASN  55           HB1      ASN  55   2.934  14.690  14.690
  364   1HD2  ASN  55          HD22      ASN  55   4.624  12.539  12.539
  365   2HD2  ASN  55          HD21      ASN  55   3.196  13.522  13.522
  366    H    VAL  56           HN       VAL  56   2.378  10.457  10.457
  367    HA   VAL  56           HA       VAL  56   0.921   9.241   9.241
  368    HB   VAL  56           HB       VAL  56   2.476   7.799   7.799
  369   1HG1  VAL  56          HG12      VAL  56   1.712   7.072   7.072
  370   2HG1  VAL  56          HG11      VAL  56   2.628   6.028   6.028
  371   3HG1  VAL  56          HG13      VAL  56   0.908   6.437   6.437
  372   1HG2  VAL  56          HG23      VAL  56   3.561   9.076   9.076
  373   2HG2  VAL  56          HG22      VAL  56   4.042   9.441   9.441
  374   3HG2  VAL  56          HG21      VAL  56   4.436   7.844   7.844
  375    H    GLY  57           HN       GLY  57  -1.310   9.068   9.068
  376   1HA   GLY  57           HA2      GLY  57  -2.038   8.879   8.879
  377   2HA   GLY  57           HA1      GLY  57  -3.139   8.963   8.963
  378    H    ILE  58           HN       ILE  58  -3.076   7.043   7.043
  379    HA   ILE  58           HA       ILE  58  -2.253   4.535   4.535
  380    HB   ILE  58           HB       ILE  58  -1.483   3.883   3.883
  381   1HG1  ILE  58          HG12      ILE  58  -1.380   6.896   6.896
  382   2HG1  ILE  58          HG11      ILE  58  -2.734   5.865   5.865
  383   1HG2  ILE  58          HG21      ILE  58   0.017   4.608   4.608
  384   2HG2  ILE  58          HG23      ILE  58  -0.004   6.282   6.282
  385   3HG2  ILE  58          HG22      ILE  58   0.709   4.940   4.940
  386   1HD1  ILE  58          HD13      ILE  58  -1.122   4.335   4.335
  387   2HD1  ILE  58          HD12      ILE  58   0.245   5.385   5.385
  388   3HD1  ILE  58          HD11      ILE  58  -1.000   6.032   6.032
  389    H    ILE  59           HN       ILE  59  -3.203   3.506   3.506
  390    HA   ILE  59           HA       ILE  59  -6.038   3.325   3.325
  391    HB   ILE  59           HB       ILE  59  -4.471   2.339   2.339
  392   1HG1  ILE  59          HG12      ILE  59  -5.439   0.110   0.110
  393   2HG1  ILE  59          HG11      ILE  59  -6.092   0.890   0.890
  394   1HG2  ILE  59          HG23      ILE  59  -7.518   2.306   2.306
  395   2HG2  ILE  59          HG22      ILE  59  -6.708   1.354   1.354
  396   3HG2  ILE  59          HG21      ILE  59  -6.696   3.143   3.143
  397   1HD1  ILE  59          HD12      ILE  59  -3.113   0.581   0.581
  398   2HD1  ILE  59          HD11      ILE  59  -3.986  -0.386  -0.386
  399   3HD1  ILE  59          HD13      ILE  59  -3.688   1.356   1.356
  400    H    VAL  60           HN       VAL  60  -7.403   4.900   4.900
  401    HA   VAL  60           HA       VAL  60  -6.251   7.192   7.192
  402    HB   VAL  60           HB       VAL  60  -8.093   6.691   6.691
  403   1HG1  VAL  60          HG11      VAL  60  -8.007   9.380   9.380
  404   2HG1  VAL  60          HG13      VAL  60  -8.680   9.094   9.094
  405   3HG1  VAL  60          HG12      VAL  60  -9.445   8.299   8.299
  406   1HG2  VAL  60          HG21      VAL  60  -5.598   6.956   6.956
  407   2HG2  VAL  60          HG23      VAL  60  -6.547   8.205   8.205
  408   3HG2  VAL  60          HG22      VAL  60  -5.725   8.625   8.625
  409    H    GLU  61           HN       GLU  61  -8.597   4.876   4.876
  410    HA   GLU  61           HA       GLU  61  -9.278   5.441   5.441
  411   1HB   GLU  61           HB2      GLU  61 -10.820   7.236   7.236
  412   2HB   GLU  61           HB1      GLU  61 -11.574   5.988   5.988
  413   1HG   GLU  61           HG2      GLU  61 -12.953   6.672   6.672
  414   2HG   GLU  61           HG1      GLU  61 -12.604   4.913   4.913
  415    H    GLY  62           HN       GLY  62 -10.884   3.483   3.483
  416   1HA   GLY  62           HA2      GLY  62 -10.502   1.344   1.344
  417   2HA   GLY  62           HA1      GLY  62 -11.019   1.218   1.218
  418    H    GLU  63           HN       GLU  63 -12.008   2.889   2.889
  419    HA   GLU  63           HA       GLU  63 -14.796   2.802   2.802
  420   1HB   GLU  63           HB2      GLU  63 -13.842   5.074   5.074
  421   2HB   GLU  63           HB1      GLU  63 -13.462   4.633   4.633
  422   1HG   GLU  63           HG2      GLU  63 -16.003   4.259   4.259
  423   2HG   GLU  63           HG1      GLU  63 -16.255   4.905   4.905
  424    H    LYS  64           HN       LYS  64 -13.445   3.175   3.175
  425    HA   LYS  64           HA       LYS  64 -14.097   0.601   0.601
  426   1HB   LYS  64           HB2      LYS  64 -16.456   1.669   1.669
  427   2HB   LYS  64           HB1      LYS  64 -15.941   2.940   2.940
  428   1HG   LYS  64           HG2      LYS  64 -15.653   1.187   1.187
  429   2HG   LYS  64           HG1      LYS  64 -16.093  -0.097  -0.097
  430   1HD   LYS  64           HD2      LYS  64 -17.892   2.240   2.240
  431   2HD   LYS  64           HD1      LYS  64 -17.938   0.573   0.573
  432   1HE   LYS  64           HE2      LYS  64 -18.637   1.393   1.393
  433   2HE   LYS  64           HE1      LYS  64 -19.800   0.958   0.958
  434   1HZ   LYS  64           HZ3      LYS  64 -18.812  -1.232  -1.232
  435   2HZ   LYS  64           HZ2      LYS  64 -17.725  -0.823  -0.823
  436   3HZ   LYS  64           HZ1      LYS  64 -19.395  -0.866  -0.866
  437    H    CYS  65           HN       CYS  65 -13.575   0.843   0.843
  438    HA   CYS  65           HA       CYS  65 -11.680   3.037   3.037
  439   1HB   CYS  65           HB2      CYS  65 -10.668   0.726   0.726
  440   2HB   CYS  65           HB1      CYS  65 -11.846   0.226   0.226
  441    H    HIS  66           HN       HIS  66 -11.924   4.205   4.205
  442    HA   HIS  66           HA       HIS  66 -14.436   3.650   3.650
  443   1HB   HIS  66           HB2      HIS  66 -14.220   5.935   5.935
  444   2HB   HIS  66           HB1      HIS  66 -14.592   5.900   5.900
  445    HD1  HIS  66           HD1      HIS  66 -12.715   6.717   6.717
  446    HD2  HIS  66           HD2      HIS  66 -11.851   7.298   7.298
  447    HE1  HIS  66           HE1      HIS  66 -10.845   8.422   8.422
  448    HE2  HIS  66           HE2      HIS  66 -10.363   8.748   8.748
  449    H    SER  67           HN       SER  67 -13.123   1.775   1.775
  450    HA   SER  67           HA       SER  67 -10.801   1.997   1.997
  451   1HB   SER  67           HB2      SER  67 -13.006  -0.088  -0.088
  452   2HB   SER  67           HB1      SER  67 -11.219  -0.340  -0.340
  453    HG   SER  67           HG       SER  67 -12.361  -1.027  -1.027
  454   1HN   NH2  68           H1       NH2  68 -11.900   4.072   4.072
  455   2HN   NH2  68           H2       NH2  68 -12.241   3.674   3.674

  Start of MODEL   14
    1   1H    VAL   1           HT1      VAL   1   5.366  12.423  12.423
    2   2H    VAL   1           HT3      VAL   1   6.632  11.701  11.701
    3   3H    VAL   1           HT2      VAL   1   6.965  12.549  12.549
    4    HA   VAL   1           HA       VAL   1   5.694  10.982  10.982
    5    HB   VAL   1           HB       VAL   1   7.229   9.034   9.034
    6   1HG1  VAL   1          HG12      VAL   1   7.930  11.156  11.156
    7   2HG1  VAL   1          HG11      VAL   1   8.673  11.740  11.740
    8   3HG1  VAL   1          HG13      VAL   1   9.321  10.275  10.275
    9   1HG2  VAL   1          HG22      VAL   1   8.264  10.289  10.289
   10   2HG2  VAL   1          HG21      VAL   1   7.384   8.721   8.721
   11   3HG2  VAL   1          HG23      VAL   1   9.008   8.920   8.920
   12    H    ARG   2           HN       ARG   2   4.969   8.559   8.559
   13    HA   ARG   2           HA       ARG   2   3.444   8.042   8.042
   14   1HB   ARG   2           HB2      ARG   2   3.035   6.719   6.719
   15   2HB   ARG   2           HB1      ARG   2   2.102   6.417   6.417
   16   1HG   ARG   2           HG2      ARG   2   0.649   7.689   7.689
   17   2HG   ARG   2           HG1      ARG   2   1.425   8.972   8.972
   18   1HD   ARG   2           HD2      ARG   2   2.625   9.837   9.837
   19   2HD   ARG   2           HD1      ARG   2   2.367   8.304   8.304
   20    HE   ARG   2           HE       ARG   2   0.208   8.976   8.976
   21   1HH1  ARG   2          HH21      ARG   2   1.408  11.187  11.187
   22   2HH1  ARG   2          HH22      ARG   2   0.062  12.267  12.267
   23   1HH2  ARG   2          HH11      ARG   2  -1.560  10.433  10.433
   24   2HH2  ARG   2          HH12      ARG   2  -1.642  11.845  11.845
   25    H    ASP   3           HN       ASP   3   3.485   5.734   5.734
   26    HA   ASP   3           HA       ASP   3   5.184   3.978   3.978
   27   1HB   ASP   3           HB2      ASP   3   4.875   3.923   3.923
   28   2HB   ASP   3           HB1      ASP   3   5.711   2.693   2.693
   29    H    GLY   4           HN       GLY   4   3.533   2.354   2.354
   30   1HA   GLY   4           HA2      GLY   4   1.190   2.288   2.288
   31   2HA   GLY   4           HA1      GLY   4   1.023   3.260   3.260
   32    H    TYR   5           HN       TYR   5  -0.583   1.177   1.177
   33    HA   TYR   5           HA       TYR   5   0.657  -1.038  -1.038
   34   1HB   TYR   5           HB2      TYR   5  -2.237  -0.264  -0.264
   35   2HB   TYR   5           HB1      TYR   5  -1.874  -1.573  -1.573
   36    HD1  TYR   5           HD1      TYR   5  -1.706  -0.601  -0.601
   37    HD2  TYR   5           HD2      TYR   5  -0.916  -3.621  -3.621
   38    HE1  TYR   5           HE1      TYR   5  -1.731  -2.329  -2.329
   39    HE2  TYR   5           HE2      TYR   5  -1.016  -5.332  -5.332
   40    HH   TYR   5           HH       TYR   5  -2.336  -5.532  -5.532
   41    H    ILE   6           HN       ILE   6   0.672  -0.978  -0.978
   42    HA   ILE   6           HA       ILE   6  -0.219   1.594   1.594
   43    HB   ILE   6           HB       ILE   6   2.153   1.115   1.115
   44   1HG1  ILE   6          HG12      ILE   6   0.410   1.245   1.245
   45   2HG1  ILE   6          HG11      ILE   6   0.891   2.622   2.622
   46   1HG2  ILE   6          HG23      ILE   6   2.014  -1.345  -1.345
   47   2HG2  ILE   6          HG22      ILE   6   1.082  -1.216  -1.216
   48   3HG2  ILE   6          HG21      ILE   6   2.789  -0.670  -0.670
   49   1HD1  ILE   6          HD13      ILE   6   3.325   2.137   2.137
   50   2HD1  ILE   6          HD12      ILE   6   2.742   0.885   0.885
   51   3HD1  ILE   6          HD11      ILE   6   2.295   2.614   2.614
   52    H    ALA   7           HN       ALA   7  -1.527   1.628   1.628
   53    HA   ALA   7           HA       ALA   7  -3.018  -0.633  -0.633
   54   1HB   ALA   7           HB1      ALA   7  -4.153   1.815   1.815
   55   2HB   ALA   7           HB3      ALA   7  -5.156   0.945   0.945
   56   3HB   ALA   7           HB2      ALA   7  -4.582   0.084   0.084
   57    H    GLN   8           HN       GLN   8  -4.606   0.701   0.701
   58    HA   GLN   8           HA       GLN   8  -2.721   2.138   2.138
   59   1HB   GLN   8           HB2      GLN   8  -5.698   1.404   1.404
   60   2HB   GLN   8           HB1      GLN   8  -4.715   2.162   2.162
   61   1HG   GLN   8           HG2      GLN   8  -3.248   0.245   0.245
   62   2HG   GLN   8           HG1      GLN   8  -3.910  -0.530  -0.530
   63   1HE2  GLN   8          HE21      GLN   8  -6.836  -1.834  -1.834
   64   2HE2  GLN   8          HE22      GLN   8  -6.110  -1.338  -1.338
   65    HA   PRO   9           HA       PRO   9  -3.200   5.764   5.764
   66   1HB   PRO   9           HB2      PRO   9  -4.083   7.183   7.183
   67   2HB   PRO   9           HB1      PRO   9  -2.771   7.697   7.697
   68   1HG   PRO   9           HG1      PRO   9  -2.112   6.324   6.324
   69   2HG   PRO   9           HG2      PRO   9  -1.380   5.813   5.813
   70   1HD   PRO   9           HD1      PRO   9  -3.739   4.541   4.541
   71   2HD   PRO   9           HD2      PRO   9  -2.336   3.764   3.764
   72    H    GLU  10           HN       GLU  10  -6.297   5.236   5.236
   73    HA   GLU  10           HA       GLU  10  -7.481   7.449   7.449
   74   1HB   GLU  10           HB2      GLU  10  -8.624   5.679   5.679
   75   2HB   GLU  10           HB1      GLU  10  -9.487   7.010   7.010
   76   1HG   GLU  10           HG2      GLU  10  -7.688   8.634   8.634
   77   2HG   GLU  10           HG1      GLU  10  -6.966   7.293   7.293
   78    H    ASN  11           HN       ASN  11  -6.495   4.438   4.438
   79    HA   ASN  11           HA       ASN  11  -6.698   3.199   3.199
   80   1HB   ASN  11           HB2      ASN  11  -7.990   4.943   4.943
   81   2HB   ASN  11           HB1      ASN  11  -9.499   4.100   4.100
   82   1HD2  ASN  11          HD22      ASN  11  -8.509   2.676   2.676
   83   2HD2  ASN  11          HD21      ASN  11  -9.140   4.182   4.182
   84    H    CYS  12           HN       CYS  12  -6.991   1.160   1.160
   85    HA   CYS  12           HA       CYS  12  -8.877  -0.492  -0.492
   86   1HB   CYS  12           HB2      CYS  12  -9.023   0.681   0.681
   87   2HB   CYS  12           HB1      CYS  12  -8.381  -0.956  -0.956
   88    H    VAL  13           HN       VAL  13  -7.649  -2.448  -2.448
   89    HA   VAL  13           HA       VAL  13  -5.026  -1.773  -1.773
   90    HB   VAL  13           HB       VAL  13  -4.640  -4.181  -4.181
   91   1HG1  VAL  13          HG11      VAL  13  -6.910  -2.508  -2.508
   92   2HG1  VAL  13          HG13      VAL  13  -6.164  -3.947  -3.947
   93   3HG1  VAL  13          HG12      VAL  13  -5.170  -2.494  -2.494
   94   1HG2  VAL  13          HG23      VAL  13  -7.650  -4.453  -4.453
   95   2HG2  VAL  13          HG22      VAL  13  -6.275  -5.246  -5.246
   96   3HG2  VAL  13          HG21      VAL  13  -6.612  -5.650  -5.650
   97    H    TYR  14           HN       TYR  14  -3.079  -2.970  -2.970
   98    HA   TYR  14           HA       TYR  14  -3.011  -3.483  -3.483
   99   1HB   TYR  14           HB2      TYR  14  -1.268  -1.975  -1.975
  100   2HB   TYR  14           HB1      TYR  14  -0.343  -3.345  -3.345
  101    HD1  TYR  14           HD1      TYR  14  -1.521  -3.469  -3.469
  102    HD2  TYR  14           HD2      TYR  14  -0.240  -0.185  -0.185
  103    HE1  TYR  14           HE1      TYR  14  -1.245  -2.087  -2.087
  104    HE2  TYR  14           HE2      TYR  14   0.122   1.187   1.187
  105    HH   TYR  14           HH       TYR  14  -0.904   0.067   0.067
  106    H    HIS  15           HN       HIS  15  -2.812  -5.783  -5.783
  107    HA   HIS  15           HA       HIS  15  -3.243  -7.168  -7.168
  108   1HB   HIS  15           HB2      HIS  15  -3.299  -8.126  -8.126
  109   2HB   HIS  15           HB1      HIS  15  -3.489  -9.225  -9.225
  110    HD1  HIS  15           HD1      HIS  15  -5.209  -6.009  -6.009
  111    HD2  HIS  15           HD2      HIS  15  -6.027  -9.533  -9.533
  112    HE1  HIS  15           HE1      HIS  15  -7.679  -6.002  -6.002
  113    HE2  HIS  15           HE2      HIS  15  -8.132  -8.140  -8.140
  114    H    CYS  16           HN       CYS  16  -1.805  -8.264  -8.264
  115    HA   CYS  16           HA       CYS  16   0.924  -8.300  -8.300
  116   1HB   CYS  16           HB2      CYS  16   0.236  -7.308  -7.308
  117   2HB   CYS  16           HB1      CYS  16  -0.123  -8.958  -8.958
  118    H    PHE  17           HN       PHE  17   2.113 -10.581 -10.581
  119    HA   PHE  17           HA       PHE  17   0.412 -12.802 -12.802
  120   1HB   PHE  17           HB2      PHE  17   3.013 -12.172 -12.172
  121   2HB   PHE  17           HB1      PHE  17   2.103 -13.721 -13.721
  122    HD1  PHE  17           HD2      PHE  17  -0.425 -13.499 -13.499
  123    HD2  PHE  17           HD1      PHE  17   2.538 -10.491 -10.491
  124    HE1  PHE  17           HE2      PHE  17  -1.883 -12.535 -12.535
  125    HE2  PHE  17           HE1      PHE  17   1.066  -9.518  -9.518
  126    HZ   PHE  17           HZ       PHE  17  -1.143 -10.537 -10.537
  127    HA   PRO  18           HA       PRO  18   3.580 -13.286 -13.286
  128   1HB   PRO  18           HB2      PRO  18   3.714 -16.230 -16.230
  129   2HB   PRO  18           HB1      PRO  18   3.649 -15.595 -15.595
  130   1HG   PRO  18           HG1      PRO  18   1.369 -16.561 -16.561
  131   2HG   PRO  18           HG2      PRO  18   1.301 -14.981 -14.981
  132   1HD   PRO  18           HD1      PRO  18   1.496 -15.419 -15.419
  133   2HD   PRO  18           HD2      PRO  18   0.463 -14.256 -14.256
  134    H    GLY  19           HN       GLY  19   4.176 -14.164 -14.164
  135   1HA   GLY  19           HA2      GLY  19   7.070 -13.734 -13.734
  136   2HA   GLY  19           HA1      GLY  19   6.297 -14.673 -14.673
  137    H    SER  20           HN       SER  20   6.421 -11.470 -11.470
  138    HA   SER  20           HA       SER  20   4.437 -10.368 -10.368
  139   1HB   SER  20           HB2      SER  20   6.453  -8.871  -8.871
  140   2HB   SER  20           HB1      SER  20   4.697  -8.540  -8.540
  141    HG   SER  20           HG       SER  20   4.363 -10.656 -10.656
  142    H    SER  21           HN       SER  21   6.782 -11.174 -11.174
  143    HA   SER  21           HA       SER  21   8.704  -9.412  -9.412
  144   1HB   SER  21           HB2      SER  21   7.688 -11.046 -11.046
  145   2HB   SER  21           HB1      SER  21   9.395 -10.694 -10.694
  146    HG   SER  21           HG       SER  21   8.709 -12.800 -12.800
  147    H    GLY  22           HN       GLY  22   5.822  -9.498  -9.498
  148   1HA   GLY  22           HA2      GLY  22   6.728  -7.402  -7.402
  149   2HA   GLY  22           HA1      GLY  22   5.048  -8.046  -8.046
  150    H    CYS  23           HN       CYS  23   4.970  -7.468  -7.468
  151    HA   CYS  23           HA       CYS  23   3.878  -4.838  -4.838
  152   1HB   CYS  23           HB2      CYS  23   2.851  -6.804  -6.804
  153   2HB   CYS  23           HB1      CYS  23   3.976  -6.256  -6.256
  154    H    ASP  24           HN       ASP  24   6.650  -6.390  -6.390
  155    HA   ASP  24           HA       ASP  24   7.577  -4.167  -4.167
  156   1HB   ASP  24           HB2      ASP  24   8.419  -6.582  -6.582
  157   2HB   ASP  24           HB1      ASP  24   9.342  -6.334  -6.334
  158    H    THR  25           HN       THR  25   8.163  -5.192  -5.192
  159    HA   THR  25           HA       THR  25   9.834  -3.006  -3.006
  160    HB   THR  25           HB       THR  25   8.832  -3.414  -3.414
  161    HG1  THR  25           HG1      THR  25   7.205  -4.933  -4.933
  162   1HG2  THR  25          HG23      THR  25  10.664  -5.327  -5.327
  163   2HG2  THR  25          HG22      THR  25  10.590  -5.209  -5.209
  164   3HG2  THR  25          HG21      THR  25  11.170  -3.807  -3.807
  165    H    LEU  26           HN       LEU  26   6.250  -3.228  -3.228
  166    HA   LEU  26           HA       LEU  26   5.841  -0.707  -0.707
  167   1HB   LEU  26           HB2      LEU  26   4.079  -2.225  -2.225
  168   2HB   LEU  26           HB1      LEU  26   3.587  -0.739  -0.739
  169    HG   LEU  26           HG       LEU  26   4.347  -3.361  -3.361
  170   1HD1  LEU  26          HD13      LEU  26   2.310  -3.639  -3.639
  171   2HD1  LEU  26          HD12      LEU  26   1.563  -2.210  -2.210
  172   3HD1  LEU  26          HD11      LEU  26   1.911  -3.696  -3.696
  173   1HD2  LEU  26          HD23      LEU  26   3.012  -0.790  -0.790
  174   2HD2  LEU  26          HD22      LEU  26   4.666  -1.386  -1.386
  175   3HD2  LEU  26          HD21      LEU  26   3.225  -2.328  -2.328
  176    H    CYS  27           HN       CYS  27   6.149  -1.845  -1.845
  177    HA   CYS  27           HA       CYS  27   5.755   0.505   0.505
  178   1HB   CYS  27           HB2      CYS  27   6.075  -1.818  -1.818
  179   2HB   CYS  27           HB1      CYS  27   7.834  -1.646  -1.646
  180    H    LYS  28           HN       LYS  28   8.857  -0.747  -0.747
  181    HA   LYS  28           HA       LYS  28  10.417   1.383   1.383
  182   1HB   LYS  28           HB2      LYS  28  10.731  -0.325  -0.325
  183   2HB   LYS  28           HB1      LYS  28  11.978   0.816   0.816
  184   1HG   LYS  28           HG2      LYS  28  10.962  -1.686  -1.686
  185   2HG   LYS  28           HG1      LYS  28  12.504  -1.522  -1.522
  186   1HD   LYS  28           HD2      LYS  28  13.223   0.277   0.277
  187   2HD   LYS  28           HD1      LYS  28  11.689   0.033   0.033
  188   1HE   LYS  28           HE2      LYS  28  12.312  -2.362  -2.362
  189   2HE   LYS  28           HE1      LYS  28  13.881  -2.109  -2.109
  190   1HZ   LYS  28           HZ2      LYS  28  12.972  -0.630  -0.630
  191   2HZ   LYS  28           HZ1      LYS  28  14.085  -1.911  -1.911
  192   3HZ   LYS  28           HZ3      LYS  28  14.458  -0.443  -0.443
  193    H    GLU  29           HN       GLU  29   8.636   1.065   1.065
  194    HA   GLU  29           HA       GLU  29   9.702   3.533   3.533
  195   1HB   GLU  29           HB2      GLU  29   8.093   3.414   3.414
  196   2HB   GLU  29           HB1      GLU  29   9.050   1.913   1.913
  197   1HG   GLU  29           HG2      GLU  29   7.111   0.859   0.859
  198   2HG   GLU  29           HG1      GLU  29   6.122   2.343   2.343
  199    H    LYS  30           HN       LYS  30   6.878   2.774   2.774
  200    HA   LYS  30           HA       LYS  30   5.713   5.379   5.379
  201   1HB   LYS  30           HB2      LYS  30   5.185   3.140   3.140
  202   2HB   LYS  30           HB1      LYS  30   4.250   4.675   4.675
  203   1HG   LYS  30           HG2      LYS  30   4.484   2.813   2.813
  204   2HG   LYS  30           HG1      LYS  30   3.186   2.655   2.655
  205   1HD   LYS  30           HD2      LYS  30   2.207   4.766   4.766
  206   2HD   LYS  30           HD1      LYS  30   3.667   5.323   5.323
  207   1HE   LYS  30           HE2      LYS  30   1.828   4.713   4.713
  208   2HE   LYS  30           HE1      LYS  30   3.315   3.711   3.711
  209   1HZ   LYS  30           HZ3      LYS  30   0.950   2.863   2.863
  210   2HZ   LYS  30           HZ2      LYS  30   1.235   2.459   2.459
  211   3HZ   LYS  30           HZ1      LYS  30   2.303   1.926   1.926
  212    H    GLY  31           HN       GLY  31   8.332   4.123   4.123
  213   1HA   GLY  31           HA2      GLY  31   9.849   5.652   5.652
  214   2HA   GLY  31           HA1      GLY  31   8.535   6.758   6.758
  215    H    GLY  32           HN       GLY  32   8.347   3.248   3.248
  216   1HA   GLY  32           HA2      GLY  32   8.720   3.894   3.894
  217   2HA   GLY  32           HA1      GLY  32   7.985   2.432   2.432
  218    H    THR  33           HN       THR  33  10.707   3.420   3.420
  219    HA   THR  33           HA       THR  33  12.624   2.143   2.143
  220    HB   THR  33           HB       THR  33  14.231   3.248   3.248
  221    HG1  THR  33           HG1      THR  33  13.321   4.753   4.753
  222   1HG2  THR  33          HG23      THR  33  13.618   4.188   4.188
  223   2HG2  THR  33          HG22      THR  33  12.171   4.987   4.987
  224   3HG2  THR  33          HG21      THR  33  13.821   5.509   5.509
  225    H    SER  34           HN       SER  34  10.464   0.934   0.934
  226    HA   SER  34           HA       SER  34  11.948  -1.369  -1.369
  227   1HB   SER  34           HB2      SER  34  11.193  -0.063  -0.063
  228   2HB   SER  34           HB1      SER  34  11.598  -1.810  -1.810
  229    HG   SER  34           HG       SER  34  13.391   0.041   0.041
  230    H    GLY  35           HN       GLY  35  10.049  -3.025  -3.025
  231   1HA   GLY  35           HA2      GLY  35   7.505  -1.919  -1.919
  232   2HA   GLY  35           HA1      GLY  35   8.088  -2.812  -2.812
  233    H    HIS  36           HN       HIS  36   6.087  -4.064  -4.064
  234    HA   HIS  36           HA       HIS  36   7.406  -6.293  -6.293
  235   1HB   HIS  36           HB2      HIS  36   5.751  -4.660  -4.660
  236   2HB   HIS  36           HB1      HIS  36   6.378  -6.329  -6.329
  237    HD1  HIS  36           HD1      HIS  36   7.480  -2.735  -2.735
  238    HD2  HIS  36           HD2      HIS  36   9.174  -6.557  -6.557
  239    HE1  HIS  36           HE1      HIS  36   9.777  -2.430  -2.430
  240    HE2  HIS  36           HE2      HIS  36  10.770  -4.751  -4.751
  241    H    CYS  37           HN       CYS  37   4.663  -6.923  -6.923
  242    HA   CYS  37           HA       CYS  37   2.892  -6.670  -6.670
  243   1HB   CYS  37           HB2      CYS  37   4.497  -8.720  -8.720
  244   2HB   CYS  37           HB1      CYS  37   3.927  -9.413  -9.413
  245    H    GLY  38           HN       GLY  38   0.745  -7.755  -7.755
  246   1HA   GLY  38           HA2      GLY  38   0.813  -8.589  -8.589
  247   2HA   GLY  38           HA1      GLY  38   0.493  -6.789  -6.789
  248    H    PHE  39           HN       PHE  39  -1.907  -7.390  -7.390
  249    HA   PHE  39           HA       PHE  39  -3.352  -7.989  -7.989
  250   1HB   PHE  39           HB2      PHE  39  -3.015 -10.146 -10.146
  251   2HB   PHE  39           HB1      PHE  39  -4.035  -9.280  -9.280
  252    HD1  PHE  39           HD2      PHE  39  -6.447  -8.730  -8.730
  253    HD2  PHE  39           HD1      PHE  39  -3.925 -11.295 -11.295
  254    HE1  PHE  39           HE2      PHE  39  -8.445  -9.748  -9.748
  255    HE2  PHE  39           HE1      PHE  39  -5.918 -12.306 -12.306
  256    HZ   PHE  39           HZ       PHE  39  -8.189 -11.553 -11.553
  257    H    LYS  40           HN       LYS  40  -5.362  -6.758  -6.758
  258    HA   LYS  40           HA       LYS  40  -5.644  -5.134  -5.134
  259   1HB   LYS  40           HB2      LYS  40  -5.988  -4.391  -4.391
  260   2HB   LYS  40           HB1      LYS  40  -6.941  -3.530  -3.530
  261   1HG   LYS  40           HG2      LYS  40  -3.914  -3.641  -3.641
  262   2HG   LYS  40           HG1      LYS  40  -4.634  -2.569  -2.569
  263   1HD   LYS  40           HD2      LYS  40  -4.304  -1.264  -1.264
  264   2HD   LYS  40           HD1      LYS  40  -6.065  -1.455  -1.455
  265   1HE   LYS  40           HE2      LYS  40  -6.207  -3.154  -3.154
  266   2HE   LYS  40           HE1      LYS  40  -4.416  -3.045  -3.045
  267   1HZ   LYS  40           HZ1      LYS  40  -4.712  -0.717  -0.717
  268   2HZ   LYS  40           HZ3      LYS  40  -6.392  -0.848  -0.848
  269   3HZ   LYS  40           HZ2      LYS  40  -5.624  -1.727  -1.727
  270    H    VAL  41           HN       VAL  41  -7.291  -6.323  -6.323
  271    HA   VAL  41           HA       VAL  41  -9.145  -7.737  -7.737
  272    HB   VAL  41           HB       VAL  41  -9.606  -7.155  -7.155
  273   1HG1  VAL  41          HG13      VAL  41 -11.401  -8.297  -8.297
  274   2HG1  VAL  41          HG12      VAL  41 -10.206  -9.558  -9.558
  275   3HG1  VAL  41          HG11      VAL  41 -10.703  -9.404  -9.404
  276   1HG2  VAL  41          HG23      VAL  41  -7.716  -9.299  -9.299
  277   2HG2  VAL  41          HG22      VAL  41  -7.221  -7.914  -7.914
  278   3HG2  VAL  41          HG21      VAL  41  -8.273  -9.212  -9.212
  279    H    GLY  42           HN       GLY  42 -10.929  -6.808  -6.808
  280   1HA   GLY  42           HA2      GLY  42 -12.712  -5.079  -5.079
  281   2HA   GLY  42           HA1      GLY  42 -11.271  -3.972  -3.972
  282    H    HIS  43           HN       HIS  43  -9.566  -5.497  -5.497
  283    HA   HIS  43           HA       HIS  43 -11.075  -5.219  -5.219
  284   1HB   HIS  43           HB2      HIS  43  -8.310  -4.133  -4.133
  285   2HB   HIS  43           HB1      HIS  43  -8.787  -4.476  -4.476
  286    HD1  HIS  43           HD1      HIS  43  -8.133  -1.601  -1.601
  287    HD2  HIS  43           HD2      HIS  43 -12.024  -3.172  -3.172
  288    HE1  HIS  43           HE1      HIS  43  -9.706   0.323   0.323
  289    HE2  HIS  43           HE2      HIS  43 -12.037  -0.660  -0.660
  290    H    GLY  44           HN       GLY  44  -7.804  -6.450  -6.450
  291   1HA   GLY  44           HA2      GLY  44  -8.215  -9.021  -9.021
  292   2HA   GLY  44           HA1      GLY  44  -7.996  -8.462  -8.462
  293    H    LEU  45           HN       LEU  45  -5.969  -9.451  -9.451
  294    HA   LEU  45           HA       LEU  45  -3.761  -9.045  -9.045
  295   1HB   LEU  45           HB2      LEU  45  -4.533 -10.527 -10.527
  296   2HB   LEU  45           HB1      LEU  45  -2.964  -9.710  -9.710
  297    HG   LEU  45           HG       LEU  45  -3.588 -11.550 -11.550
  298   1HD1  LEU  45          HD11      LEU  45  -3.951 -12.788 -12.788
  299   2HD1  LEU  45          HD13      LEU  45  -2.322 -12.308 -12.308
  300   3HD1  LEU  45          HD12      LEU  45  -2.476 -13.386 -13.386
  301   1HD2  LEU  45          HD23      LEU  45  -1.510 -10.083 -10.083
  302   2HD2  LEU  45          HD22      LEU  45  -1.190 -11.852 -11.852
  303   3HD2  LEU  45          HD21      LEU  45  -0.812 -10.899 -10.899
  304    H    ALA  46           HN       ALA  46  -2.214  -7.182  -7.182
  305    HA   ALA  46           HA       ALA  46  -2.871  -5.221  -5.221
  306   1HB   ALA  46           HB2      ALA  46  -2.727  -4.735  -4.735
  307   2HB   ALA  46           HB1      ALA  46  -2.831  -3.432  -3.432
  308   3HB   ALA  46           HB3      ALA  46  -4.213  -4.562  -4.562
  309    H    CYS  47           HN       CYS  47  -0.792  -3.689  -3.689
  310    HA   CYS  47           HA       CYS  47   1.427  -5.479  -5.479
  311   1HB   CYS  47           HB2      CYS  47   1.554  -3.223  -3.223
  312   2HB   CYS  47           HB1      CYS  47   2.884  -4.334  -4.334
  313    H    TRP  48           HN       TRP  48   3.509  -3.732  -3.732
  314    HA   TRP  48           HA       TRP  48   2.352  -1.539  -1.539
  315   1HB   TRP  48           HB2      TRP  48   2.267  -3.278  -3.278
  316   2HB   TRP  48           HB1      TRP  48   3.856  -3.920  -3.920
  317    HD1  TRP  48           HD1      TRP  48   6.021  -2.216  -2.216
  318    HE1  TRP  48           HE1      TRP  48   6.523  -0.618  -0.618
  319    HE3  TRP  48           HE3      TRP  48   1.331  -2.029  -2.029
  320    HZ2  TRP  48           HZ2      TRP  48   5.024   0.608   0.608
  321    HZ3  TRP  48           HZ3      TRP  48   0.909  -0.628  -0.628
  322    HH2  TRP  48           HH2      TRP  48   2.733   0.681   0.681
  323    H    CYS  49           HN       CYS  49   4.013   0.061   0.061
  324    HA   CYS  49           HA       CYS  49   6.508  -0.314  -0.314
  325   1HB   CYS  49           HB2      CYS  49   4.443   1.848   1.848
  326   2HB   CYS  49           HB1      CYS  49   6.197   2.033   2.033
  327    H    ASN  50           HN       ASN  50   8.028   1.320   1.320
  328    HA   ASN  50           HA       ASN  50   7.013   2.825   2.825
  329   1HB   ASN  50           HB2      ASN  50   9.719   1.401   1.401
  330   2HB   ASN  50           HB1      ASN  50   9.484   2.719   2.719
  331   1HD2  ASN  50          HD22      ASN  50   7.842   0.723   0.723
  332   2HD2  ASN  50          HD21      ASN  50   8.255   2.331   2.331
  333    H    ALA  51           HN       ALA  51   7.417   4.990   4.990
  334    HA   ALA  51           HA       ALA  51   8.363   6.836   6.836
  335   1HB   ALA  51           HB2      ALA  51  10.636   5.865   5.865
  336   2HB   ALA  51           HB1      ALA  51  10.668   5.534   5.534
  337   3HB   ALA  51           HB3      ALA  51  10.595   7.232   7.232
  338    H    LEU  52           HN       LEU  52   6.260   6.109   6.109
  339    HA   LEU  52           HA       LEU  52   6.873   6.714   6.714
  340   1HB   LEU  52           HB2      LEU  52   4.201   6.333   6.333
  341   2HB   LEU  52           HB1      LEU  52   4.281   6.935   6.935
  342    HG   LEU  52           HG       LEU  52   5.476   4.253   4.253
  343   1HD1  LEU  52          HD13      LEU  52   2.728   4.878   4.878
  344   2HD1  LEU  52          HD12      LEU  52   3.418   3.231   3.231
  345   3HD1  LEU  52          HD11      LEU  52   3.020   4.234   4.234
  346   1HD2  LEU  52          HD22      LEU  52   6.408   5.236   5.236
  347   2HD2  LEU  52          HD21      LEU  52   5.499   3.716   3.716
  348   3HD2  LEU  52          HD23      LEU  52   4.753   5.303   5.303
  349    HA   PRO  53           HA       PRO  53   6.470  10.996  10.996
  350   1HB   PRO  53           HB2      PRO  53   6.328  12.246  12.246
  351   2HB   PRO  53           HB1      PRO  53   7.844  11.549  11.549
  352   1HG   PRO  53           HG1      PRO  53   5.935  10.274  10.274
  353   2HG   PRO  53           HG2      PRO  53   7.741  10.321  10.321
  354   1HD   PRO  53           HD1      PRO  53   6.270   8.133   8.133
  355   2HD   PRO  53           HD2      PRO  53   7.893   8.556   8.556
  356    H    ASP  54           HN       ASP  54   4.881  12.920  12.920
  357    HA   ASP  54           HA       ASP  54   2.492  11.737  11.737
  358   1HB   ASP  54           HB2      ASP  54   3.194  14.658  14.658
  359   2HB   ASP  54           HB1      ASP  54   1.741  14.109  14.109
  360    H    ASN  55           HN       ASN  55   3.438  12.408  12.408
  361    HA   ASN  55           HA       ASN  55   0.832  13.279  13.279
  362   1HB   ASN  55           HB2      ASN  55   1.839  13.212  13.212
  363   2HB   ASN  55           HB1      ASN  55   2.818  14.206  14.206
  364   1HD2  ASN  55          HD21      ASN  55   4.553  10.978  10.978
  365   2HD2  ASN  55          HD22      ASN  55   2.955  11.532  11.532
  366    H    VAL  56           HN       VAL  56   2.171  10.295  10.295
  367    HA   VAL  56           HA       VAL  56   0.919   8.822   8.822
  368    HB   VAL  56           HB       VAL  56   2.354   7.605   7.605
  369   1HG1  VAL  56          HG12      VAL  56   1.850   6.689   6.689
  370   2HG1  VAL  56          HG11      VAL  56   2.719   5.757   5.757
  371   3HG1  VAL  56          HG13      VAL  56   0.965   6.097   6.097
  372   1HG2  VAL  56          HG22      VAL  56   3.571   8.783   8.783
  373   2HG2  VAL  56          HG21      VAL  56   3.919   9.283   9.283
  374   3HG2  VAL  56          HG23      VAL  56   4.428   7.667   7.667
  375    H    GLY  57           HN       GLY  57  -1.141   7.899   7.899
  376   1HA   GLY  57           HA2      GLY  57  -2.313   8.290   8.290
  377   2HA   GLY  57           HA1      GLY  57  -3.176   8.062   8.062
  378    H    ILE  58           HN       ILE  58  -3.501   6.355   6.355
  379    HA   ILE  58           HA       ILE  58  -2.541   3.798   3.798
  380    HB   ILE  58           HB       ILE  58  -1.492   3.378   3.378
  381   1HG1  ILE  58          HG12      ILE  58  -1.439   6.461   6.461
  382   2HG1  ILE  58          HG11      ILE  58  -2.499   5.377   5.377
  383   1HG2  ILE  58          HG21      ILE  58  -0.274   3.979   3.979
  384   2HG2  ILE  58          HG23      ILE  58   0.017   5.598   5.598
  385   3HG2  ILE  58          HG22      ILE  58   0.668   4.130   4.130
  386   1HD1  ILE  58          HD11      ILE  58  -0.435   4.151   4.151
  387   2HD1  ILE  58          HD13      ILE  58   0.586   5.410   5.410
  388   3HD1  ILE  58          HD12      ILE  58  -0.551   5.872   5.872
  389    H    ILE  59           HN       ILE  59  -3.201   3.024   3.024
  390    HA   ILE  59           HA       ILE  59  -6.051   3.126   3.126
  391    HB   ILE  59           HB       ILE  59  -4.274   2.043   2.043
  392   1HG1  ILE  59          HG12      ILE  59  -5.704  -0.054  -0.054
  393   2HG1  ILE  59          HG11      ILE  59  -6.236   0.837   0.837
  394   1HG2  ILE  59          HG22      ILE  59  -7.361   2.309   2.309
  395   2HG2  ILE  59          HG21      ILE  59  -6.408   1.284   1.284
  396   3HG2  ILE  59          HG23      ILE  59  -6.209   3.062   3.062
  397   1HD1  ILE  59          HD11      ILE  59  -3.306   0.160   0.160
  398   2HD1  ILE  59          HD13      ILE  59  -4.320  -0.781  -0.781
  399   3HD1  ILE  59          HD12      ILE  59  -3.839   0.907   0.907
  400    H    VAL  60           HN       VAL  60  -7.365   4.766   4.766
  401    HA   VAL  60           HA       VAL  60  -6.265   7.000   7.000
  402    HB   VAL  60           HB       VAL  60  -5.821   6.592   6.592
  403   1HG1  VAL  60          HG11      VAL  60  -8.195   6.953   6.953
  404   2HG1  VAL  60          HG13      VAL  60  -8.123   8.616   8.616
  405   3HG1  VAL  60          HG12      VAL  60  -7.113   8.188   8.188
  406   1HG2  VAL  60          HG21      VAL  60  -4.440   7.937   7.937
  407   2HG2  VAL  60          HG23      VAL  60  -4.905   8.866   8.866
  408   3HG2  VAL  60          HG22      VAL  60  -5.714   9.211   9.211
  409    H    GLU  61           HN       GLU  61  -8.069   8.583   8.583
  410    HA   GLU  61           HA       GLU  61 -10.037   9.216   9.216
  411   1HB   GLU  61           HB2      GLU  61 -11.008   8.087   8.087
  412   2HB   GLU  61           HB1      GLU  61 -11.194   6.611   6.611
  413   1HG   GLU  61           HG2      GLU  61 -13.366   7.805   7.805
  414   2HG   GLU  61           HG1      GLU  61 -12.815   7.930   7.930
  415    H    GLY  62           HN       GLY  62 -11.487   6.258   6.258
  416   1HA   GLY  62           HA2      GLY  62  -9.751   5.942   5.942
  417   2HA   GLY  62           HA1      GLY  62 -11.497   5.428   5.428
  418    H    GLU  63           HN       GLU  63 -11.964   4.228   4.228
  419    HA   GLU  63           HA       GLU  63  -9.798   3.309   3.309
  420   1HB   GLU  63           HB2      GLU  63 -10.024   1.398   1.398
  421   2HB   GLU  63           HB1      GLU  63 -11.701   1.160   1.160
  422   1HG   GLU  63           HG2      GLU  63 -10.799   0.571   0.571
  423   2HG   GLU  63           HG1      GLU  63  -9.122   0.931   0.931
  424    H    LYS  64           HN       LYS  64 -11.121   2.534   2.534
  425    HA   LYS  64           HA       LYS  64 -13.791   2.869   2.869
  426   1HB   LYS  64           HB2      LYS  64 -12.987   5.422   5.422
  427   2HB   LYS  64           HB1      LYS  64 -12.165   5.234   5.234
  428   1HG   LYS  64           HG2      LYS  64 -14.317   6.422   6.422
  429   2HG   LYS  64           HG1      LYS  64 -14.377   4.888   4.888
  430   1HD   LYS  64           HD2      LYS  64 -16.496   5.275   5.275
  431   2HD   LYS  64           HD1      LYS  64 -15.711   3.832   3.832
  432   1HE   LYS  64           HE2      LYS  64 -14.966   5.230   5.230
  433   2HE   LYS  64           HE1      LYS  64 -15.735   6.683   6.683
  434   1HZ   LYS  64           HZ2      LYS  64 -17.849   5.489   5.489
  435   2HZ   LYS  64           HZ1      LYS  64 -17.093   4.191   4.191
  436   3HZ   LYS  64           HZ3      LYS  64 -17.153   5.718   5.718
  437    H    CYS  65           HN       CYS  65 -13.693   3.124   3.124
  438    HA   CYS  65           HA       CYS  65 -11.095   2.614   2.614
  439   1HB   CYS  65           HB2      CYS  65 -11.737   0.198   0.198
  440   2HB   CYS  65           HB1      CYS  65 -13.399   0.589   0.589
  441    H    HIS  66           HN       HIS  66 -11.201   3.724   3.724
  442    HA   HIS  66           HA       HIS  66 -13.630   3.887   3.887
  443   1HB   HIS  66           HB2      HIS  66 -13.753   6.439   6.439
  444   2HB   HIS  66           HB1      HIS  66 -14.320   5.804   5.804
  445    HD1  HIS  66           HD1      HIS  66 -11.637   7.947   7.947
  446    HD2  HIS  66           HD2      HIS  66 -12.725   6.389   6.389
  447    HE1  HIS  66           HE1      HIS  66 -10.290   9.186   9.186
  448    HE2  HIS  66           HE2      HIS  66 -10.996   8.239   8.239
  449    H    SER  67           HN       SER  67 -12.848   5.385   5.385
  450    HA   SER  67           HA       SER  67 -10.200   5.722   5.722
  451   1HB   SER  67           HB2      SER  67 -11.415   3.033   3.033
  452   2HB   SER  67           HB1      SER  67 -10.021   3.830   3.830
  453    HG   SER  67           HG       SER  67  -9.979   3.363   3.363
  454   1HN   NH2  68           H1       NH2  68 -10.415   6.161   6.161
  455   2HN   NH2  68           H2       NH2  68 -11.996   6.684   6.684

  Start of MODEL   15
    1   1H    VAL   1           HT2      VAL   1   7.091  12.040  12.040
    2   2H    VAL   1           HT1      VAL   1   7.514  12.522  12.522
    3   3H    VAL   1           HT3      VAL   1   5.902  12.659  12.659
    4    HA   VAL   1           HA       VAL   1   6.086  10.838  10.838
    5    HB   VAL   1           HB       VAL   1   7.479   8.821   8.821
    6   1HG1  VAL   1          HG13      VAL   1   8.249  10.428  10.428
    7   2HG1  VAL   1          HG12      VAL   1   9.085  11.419  11.419
    8   3HG1  VAL   1          HG11      VAL   1   9.625   9.736   9.736
    9   1HG2  VAL   1          HG23      VAL   1   7.736   9.292   9.292
   10   2HG2  VAL   1          HG22      VAL   1   9.315   9.061   9.061
   11   3HG2  VAL   1          HG21      VAL   1   8.776  10.718  10.718
   12    H    ARG   2           HN       ARG   2   5.238   8.491   8.491
   13    HA   ARG   2           HA       ARG   2   4.043   8.363   8.363
   14   1HB   ARG   2           HB2      ARG   2   2.111   7.091   7.091
   15   2HB   ARG   2           HB1      ARG   2   2.116   8.785   8.785
   16   1HG   ARG   2           HG2      ARG   2   3.487   6.799   6.799
   17   2HG   ARG   2           HG1      ARG   2   1.737   6.586   6.586
   18   1HD   ARG   2           HD2      ARG   2   2.849   9.376   9.376
   19   2HD   ARG   2           HD1      ARG   2   2.679   8.074   8.074
   20    HE   ARG   2           HE       ARG   2   0.349   8.122   8.122
   21   1HH1  ARG   2          HH11      ARG   2   1.741  10.543  10.543
   22   2HH1  ARG   2          HH12      ARG   2   0.215  11.308  11.308
   23   1HH2  ARG   2          HH21      ARG   2  -1.669   9.111   9.111
   24   2HH2  ARG   2          HH22      ARG   2  -1.729  10.491  10.491
   25    H    ASP   3           HN       ASP   3   3.550   5.936   5.936
   26    HA   ASP   3           HA       ASP   3   5.060   4.075   4.075
   27   1HB   ASP   3           HB2      ASP   3   4.795   3.842   3.842
   28   2HB   ASP   3           HB1      ASP   3   5.727   2.778   2.778
   29    H    GLY   4           HN       GLY   4   3.301   2.406   2.406
   30   1HA   GLY   4           HA2      GLY   4   1.196   2.332   2.332
   31   2HA   GLY   4           HA1      GLY   4   0.749   3.212   3.212
   32    H    TYR   5           HN       TYR   5  -0.660   1.011   1.011
   33    HA   TYR   5           HA       TYR   5   0.766  -0.967  -0.967
   34   1HB   TYR   5           HB2      TYR   5  -2.181  -0.585  -0.585
   35   2HB   TYR   5           HB1      TYR   5  -1.727  -1.644  -1.644
   36    HD1  TYR   5           HD1      TYR   5  -0.190  -3.627  -3.627
   37    HD2  TYR   5           HD2      TYR   5  -2.048  -1.406  -1.406
   38    HE1  TYR   5           HE1      TYR   5   0.043  -5.566  -5.566
   39    HE2  TYR   5           HE2      TYR   5  -1.861  -3.349  -3.349
   40    HH   TYR   5           HH       TYR   5  -1.283  -5.570  -5.570
   41    H    ILE   6           HN       ILE   6   0.730  -0.684  -0.684
   42    HA   ILE   6           HA       ILE   6  -0.056   2.003   2.003
   43    HB   ILE   6           HB       ILE   6   2.303   1.495   1.495
   44   1HG1  ILE   6          HG12      ILE   6   0.517   1.827   1.827
   45   2HG1  ILE   6          HG11      ILE   6   1.300   3.102   3.102
   46   1HG2  ILE   6          HG23      ILE   6   2.157  -0.944  -0.944
   47   2HG2  ILE   6          HG22      ILE   6   1.226  -0.778  -0.778
   48   3HG2  ILE   6          HG21      ILE   6   2.944  -0.267  -0.267
   49   1HD1  ILE   6          HD11      ILE   6   3.563   2.121   2.121
   50   2HD1  ILE   6          HD13      ILE   6   2.577   1.087   1.087
   51   3HD1  ILE   6          HD12      ILE   6   2.483   2.872   2.872
   52    H    ALA   7           HN       ALA   7  -1.342   2.205   2.205
   53    HA   ALA   7           HA       ALA   7  -2.904  -0.117  -0.117
   54   1HB   ALA   7           HB1      ALA   7  -3.864   2.809   2.809
   55   2HB   ALA   7           HB3      ALA   7  -4.902   1.507   1.507
   56   3HB   ALA   7           HB2      ALA   7  -4.330   1.429   1.429
   57    H    GLN   8           HN       GLN   8  -4.275   0.801   0.801
   58    HA   GLN   8           HA       GLN   8  -2.658   2.412   2.412
   59   1HB   GLN   8           HB2      GLN   8  -5.502   1.249   1.249
   60   2HB   GLN   8           HB1      GLN   8  -4.706   2.167   2.167
   61   1HG   GLN   8           HG2      GLN   8  -3.069   0.458   0.458
   62   2HG   GLN   8           HG1      GLN   8  -3.385  -0.368  -0.368
   63   1HE2  GLN   8          HE21      GLN   8  -6.374  -2.042  -2.042
   64   2HE2  GLN   8          HE22      GLN   8  -5.513  -1.408  -1.408
   65    HA   PRO   9           HA       PRO   9  -3.628   5.712   5.712
   66   1HB   PRO   9           HB2      PRO   9  -4.537   7.363   7.363
   67   2HB   PRO   9           HB1      PRO   9  -3.338   7.853   7.853
   68   1HG   PRO   9           HG1      PRO   9  -2.485   6.873   6.873
   69   2HG   PRO   9           HG2      PRO   9  -1.696   6.274   6.274
   70   1HD   PRO   9           HD1      PRO   9  -3.794   4.857   4.857
   71   2HD   PRO   9           HD2      PRO   9  -2.350   4.212   4.212
   72    H    GLU  10           HN       GLU  10  -6.554   5.078   5.078
   73    HA   GLU  10           HA       GLU  10  -8.035   7.231   7.231
   74   1HB   GLU  10           HB2      GLU  10  -8.976   4.799   4.799
   75   2HB   GLU  10           HB1      GLU  10  -9.879   6.321   6.321
   76   1HG   GLU  10           HG2      GLU  10  -7.246   6.009   6.009
   77   2HG   GLU  10           HG1      GLU  10  -8.906   6.152   6.152
   78    H    ASN  11           HN       ASN  11  -7.000   5.554   5.554
   79    HA   ASN  11           HA       ASN  11  -7.441   4.513   4.513
   80   1HB   ASN  11           HB2      ASN  11  -9.245   6.241   6.241
   81   2HB   ASN  11           HB1      ASN  11 -10.417   5.101   5.101
   82   1HD2  ASN  11          HD21      ASN  11 -11.032   4.467   4.467
   83   2HD2  ASN  11          HD22      ASN  11 -11.605   5.219   5.219
   84    H    CYS  12           HN       CYS  12  -6.885   2.841   2.841
   85    HA   CYS  12           HA       CYS  12  -8.972   0.723   0.723
   86   1HB   CYS  12           HB2      CYS  12  -7.394   1.814   1.814
   87   2HB   CYS  12           HB1      CYS  12  -7.057   0.088   0.088
   88    H    VAL  13           HN       VAL  13  -6.724  -1.176  -1.176
   89    HA   VAL  13           HA       VAL  13  -4.891  -1.034  -1.034
   90    HB   VAL  13           HB       VAL  13  -4.921  -3.598  -3.598
   91   1HG1  VAL  13          HG12      VAL  13  -7.311  -2.021  -2.021
   92   2HG1  VAL  13          HG11      VAL  13  -6.730  -3.637  -3.637
   93   3HG1  VAL  13          HG13      VAL  13  -5.683  -2.199  -2.199
   94   1HG2  VAL  13          HG23      VAL  13  -6.368  -4.020  -4.020
   95   2HG2  VAL  13          HG22      VAL  13  -7.045  -4.754  -4.754
   96   3HG2  VAL  13          HG21      VAL  13  -7.767  -3.240  -3.240
   97    H    TYR  14           HN       TYR  14  -3.570  -3.415  -3.415
   98    HA   TYR  14           HA       TYR  14  -3.420  -2.739  -2.739
   99   1HB   TYR  14           HB2      TYR  14  -1.174  -2.604  -2.604
  100   2HB   TYR  14           HB1      TYR  14  -0.892  -3.944  -3.944
  101    HD1  TYR  14           HD2      TYR  14  -1.471  -3.269  -3.269
  102    HD2  TYR  14           HD1      TYR  14  -0.226  -0.549  -0.549
  103    HE1  TYR  14           HE2      TYR  14  -0.757  -1.670  -1.670
  104    HE2  TYR  14           HE1      TYR  14   0.511   1.057   1.057
  105    HH   TYR  14           HH       TYR  14   0.134   0.385   0.385
  106    H    HIS  15           HN       HIS  15  -2.985  -5.112  -5.112
  107    HA   HIS  15           HA       HIS  15  -4.133  -7.028  -7.028
  108   1HB   HIS  15           HB2      HIS  15  -3.832  -7.051  -7.051
  109   2HB   HIS  15           HB1      HIS  15  -4.131  -8.540  -8.540
  110    HD1  HIS  15           HD1      HIS  15  -5.816  -5.093  -5.093
  111    HD2  HIS  15           HD2      HIS  15  -6.765  -9.107  -9.107
  112    HE1  HIS  15           HE1      HIS  15  -8.344  -5.257  -5.257
  113    HE2  HIS  15           HE2      HIS  15  -8.858  -7.695  -7.695
  114    H    CYS  16           HN       CYS  16  -2.419  -7.528  -7.528
  115    HA   CYS  16           HA       CYS  16   0.041  -8.299  -8.299
  116   1HB   CYS  16           HB2      CYS  16   0.264  -6.500  -6.500
  117   2HB   CYS  16           HB1      CYS  16  -0.082  -7.824  -7.824
  118    H    PHE  17           HN       PHE  17   1.020 -10.120 -10.120
  119    HA   PHE  17           HA       PHE  17  -0.856 -12.280 -12.280
  120   1HB   PHE  17           HB2      PHE  17   2.097 -12.611 -12.611
  121   2HB   PHE  17           HB1      PHE  17   0.635 -13.290 -13.290
  122    HD1  PHE  17           HD1      PHE  17  -0.739 -11.695 -11.695
  123    HD2  PHE  17           HD2      PHE  17   3.147 -10.629 -10.629
  124    HE1  PHE  17           HE1      PHE  17  -0.524  -9.957  -9.957
  125    HE2  PHE  17           HE2      PHE  17   3.360  -8.910  -8.910
  126    HZ   PHE  17           HZ       PHE  17   1.518  -8.560  -8.560
  127    HA   PRO  18           HA       PRO  18   1.524 -12.854 -12.854
  128   1HB   PRO  18           HB2      PRO  18   1.754 -15.597 -15.597
  129   2HB   PRO  18           HB1      PRO  18   0.165 -14.751 -14.751
  130   1HG   PRO  18           HG1      PRO  18   1.380 -16.143 -16.143
  131   2HG   PRO  18           HG2      PRO  18  -0.256 -16.416 -16.416
  132   1HD   PRO  18           HD1      PRO  18   0.144 -14.669 -14.669
  133   2HD   PRO  18           HD2      PRO  18  -1.044 -14.263 -14.263
  134    H    GLY  19           HN       GLY  19   3.211 -11.919 -11.919
  135   1HA   GLY  19           HA2      GLY  19   5.649 -12.845 -12.845
  136   2HA   GLY  19           HA1      GLY  19   5.303 -13.434 -13.434
  137    H    SER  20           HN       SER  20   7.067 -11.081 -11.081
  138    HA   SER  20           HA       SER  20   5.642  -8.776  -8.776
  139   1HB   SER  20           HB2      SER  20   8.588  -9.087  -9.087
  140   2HB   SER  20           HB1      SER  20   7.579  -7.589  -7.589
  141    HG   SER  20           HG       SER  20   7.803  -8.660  -8.660
  142    H    SER  21           HN       SER  21   6.902 -11.164 -11.164
  143    HA   SER  21           HA       SER  21   9.160 -10.558 -10.558
  144   1HB   SER  21           HB2      SER  21   6.928 -11.869 -11.869
  145   2HB   SER  21           HB1      SER  21   8.652 -12.378 -12.378
  146    HG   SER  21           HG       SER  21   7.364 -13.691 -13.691
  147    H    GLY  22           HN       GLY  22   5.990  -9.629  -9.629
  148   1HA   GLY  22           HA2      GLY  22   7.371  -8.126  -8.126
  149   2HA   GLY  22           HA1      GLY  22   5.606  -8.414  -8.414
  150    H    CYS  23           HN       CYS  23   6.025  -7.522  -7.522
  151    HA   CYS  23           HA       CYS  23   5.235  -4.863  -4.863
  152   1HB   CYS  23           HB2      CYS  23   3.945  -6.205  -6.205
  153   2HB   CYS  23           HB1      CYS  23   5.265  -5.761  -5.761
  154    H    ASP  24           HN       ASP  24   8.107  -6.431  -6.431
  155    HA   ASP  24           HA       ASP  24   9.584  -4.370  -4.370
  156   1HB   ASP  24           HB2      ASP  24  10.353  -6.764  -6.764
  157   2HB   ASP  24           HB1      ASP  24  10.526  -6.360  -6.360
  158    H    THR  25           HN       THR  25   9.118  -5.091  -5.091
  159    HA   THR  25           HA       THR  25  10.264  -2.749  -2.749
  160    HB   THR  25           HB       THR  25   8.369  -3.417  -3.417
  161    HG1  THR  25           HG1      THR  25   7.712  -5.273  -5.273
  162   1HG2  THR  25          HG21      THR  25  11.177  -4.610  -4.610
  163   2HG2  THR  25          HG23      THR  25  10.327  -4.688  -4.688
  164   3HG2  THR  25          HG22      THR  25  10.821  -3.094  -3.094
  165    H    LEU  26           HN       LEU  26   6.769  -3.445  -3.445
  166    HA   LEU  26           HA       LEU  26   5.875  -0.985  -0.985
  167   1HB   LEU  26           HB2      LEU  26   4.691  -2.871  -2.871
  168   2HB   LEU  26           HB1      LEU  26   3.954  -1.288  -1.288
  169    HG   LEU  26           HG       LEU  26   2.773  -3.034  -3.034
  170   1HD1  LEU  26          HD11      LEU  26   2.662  -0.701  -0.701
  171   2HD1  LEU  26          HD13      LEU  26   4.093  -0.919  -0.919
  172   3HD1  LEU  26          HD12      LEU  26   2.577  -1.821  -1.821
  173   1HD2  LEU  26          HD22      LEU  26   4.567  -4.605  -4.605
  174   2HD2  LEU  26          HD21      LEU  26   3.642  -4.082  -4.082
  175   3HD2  LEU  26          HD23      LEU  26   5.281  -3.404  -3.404
  176    H    CYS  27           HN       CYS  27   7.045  -1.912  -1.912
  177    HA   CYS  27           HA       CYS  27   6.364   0.539   0.539
  178   1HB   CYS  27           HB2      CYS  27   6.971  -1.683  -1.683
  179   2HB   CYS  27           HB1      CYS  27   8.685  -1.251  -1.251
  180    H    LYS  28           HN       LYS  28   9.388  -0.555  -0.555
  181    HA   LYS  28           HA       LYS  28  10.718   1.851   1.851
  182   1HB   LYS  28           HB2      LYS  28  11.569  -0.274  -0.274
  183   2HB   LYS  28           HB1      LYS  28  12.563   1.142   1.142
  184   1HG   LYS  28           HG2      LYS  28  12.355   0.404   0.404
  185   2HG   LYS  28           HG1      LYS  28  11.513  -1.079  -1.079
  186   1HD   LYS  28           HD2      LYS  28  13.540  -1.720  -1.720
  187   2HD   LYS  28           HD1      LYS  28  14.402  -0.269  -0.269
  188   1HE   LYS  28           HE2      LYS  28  13.285  -2.607  -2.607
  189   2HE   LYS  28           HE1      LYS  28  15.024  -2.339  -2.339
  190   1HZ   LYS  28           HZ3      LYS  28  14.945  -0.258  -0.258
  191   2HZ   LYS  28           HZ2      LYS  28  13.318  -0.513  -0.513
  192   3HZ   LYS  28           HZ1      LYS  28  14.519  -1.562  -1.562
  193    H    GLU  29           HN       GLU  29   8.776   0.922   0.922
  194    HA   GLU  29           HA       GLU  29   9.794   3.129   3.129
  195   1HB   GLU  29           HB2      GLU  29   8.180   2.680   2.680
  196   2HB   GLU  29           HB1      GLU  29   8.862   1.127   1.127
  197   1HG   GLU  29           HG2      GLU  29   6.758   0.907   0.907
  198   2HG   GLU  29           HG1      GLU  29   6.076   2.330   2.330
  199    H    LYS  30           HN       LYS  30   7.317   2.808   2.808
  200    HA   LYS  30           HA       LYS  30   6.229   5.446   5.446
  201   1HB   LYS  30           HB2      LYS  30   6.112   3.660   3.660
  202   2HB   LYS  30           HB1      LYS  30   5.243   5.221   5.221
  203   1HG   LYS  30           HG2      LYS  30   4.837   2.724   2.724
  204   2HG   LYS  30           HG1      LYS  30   3.820   3.196   3.196
  205   1HD   LYS  30           HD2      LYS  30   3.176   5.321   5.321
  206   2HD   LYS  30           HD1      LYS  30   4.148   4.813   4.813
  207   1HE   LYS  30           HE2      LYS  30   1.733   3.277   3.277
  208   2HE   LYS  30           HE1      LYS  30   1.735   4.254   4.254
  209   1HZ   LYS  30           HZ2      LYS  30   3.485   1.910   1.910
  210   2HZ   LYS  30           HZ1      LYS  30   2.013   1.854   1.854
  211   3HZ   LYS  30           HZ3      LYS  30   3.316   2.754   2.754
  212    H    GLY  31           HN       GLY  31   8.468   3.837   3.837
  213   1HA   GLY  31           HA2      GLY  31  10.540   4.969   4.969
  214   2HA   GLY  31           HA1      GLY  31   9.619   6.509   6.509
  215    H    GLY  32           HN       GLY  32   8.939   3.128   3.128
  216   1HA   GLY  32           HA2      GLY  32   9.380   4.181   4.181
  217   2HA   GLY  32           HA1      GLY  32   8.423   2.723   2.723
  218    H    THR  33           HN       THR  33  11.102   3.242   3.242
  219    HA   THR  33           HA       THR  33  13.012   1.909   1.909
  220    HB   THR  33           HB       THR  33  14.424   2.611   2.611
  221    HG1  THR  33           HG1      THR  33  13.451   4.332   4.332
  222   1HG2  THR  33          HG22      THR  33  14.620   3.593   3.593
  223   2HG2  THR  33          HG21      THR  33  13.210   4.668   4.668
  224   3HG2  THR  33          HG23      THR  33  14.743   4.860   4.860
  225    H    SER  34           HN       SER  34  10.540   0.809   0.809
  226    HA   SER  34           HA       SER  34  11.722  -1.696  -1.696
  227   1HB   SER  34           HB2      SER  34  11.228  -0.499  -0.499
  228   2HB   SER  34           HB1      SER  34  11.231  -2.278  -2.278
  229    HG   SER  34           HG       SER  34  13.369  -0.694  -0.694
  230    H    GLY  35           HN       GLY  35   9.806  -3.280  -3.280
  231   1HA   GLY  35           HA2      GLY  35   7.351  -2.179  -2.179
  232   2HA   GLY  35           HA1      GLY  35   7.625  -2.520  -2.520
  233    H    HIS  36           HN       HIS  36   5.808  -4.230  -4.230
  234    HA   HIS  36           HA       HIS  36   7.032  -6.717  -6.717
  235   1HB   HIS  36           HB2      HIS  36   5.474  -5.781  -5.781
  236   2HB   HIS  36           HB1      HIS  36   6.238  -7.383  -7.383
  237    HD1  HIS  36           HD1      HIS  36   9.048  -7.150  -7.150
  238    HD2  HIS  36           HD2      HIS  36   6.883  -3.957  -3.957
  239    HE1  HIS  36           HE1      HIS  36  10.664  -5.780  -5.780
  240    HE2  HIS  36           HE2      HIS  36   9.326  -3.866  -3.866
  241    H    CYS  37           HN       CYS  37   4.464  -7.930  -7.930
  242    HA   CYS  37           HA       CYS  37   2.365  -6.332  -6.332
  243   1HB   CYS  37           HB2      CYS  37   3.020  -9.086  -9.086
  244   2HB   CYS  37           HB1      CYS  37   1.408  -8.295  -8.295
  245    H    GLY  38           HN       GLY  38   0.319  -7.586  -7.586
  246   1HA   GLY  38           HA2      GLY  38   0.650  -9.776  -9.776
  247   2HA   GLY  38           HA1      GLY  38   1.060  -8.283  -8.283
  248    H    PHE  39           HN       PHE  39  -1.372  -9.225  -9.225
  249    HA   PHE  39           HA       PHE  39  -3.225  -7.388  -7.388
  250   1HB   PHE  39           HB2      PHE  39  -3.682  -9.549  -9.549
  251   2HB   PHE  39           HB1      PHE  39  -3.729 -10.467 -10.467
  252    HD1  PHE  39           HD2      PHE  39  -5.431  -7.604  -7.604
  253    HD2  PHE  39           HD1      PHE  39  -5.819 -10.722 -10.722
  254    HE1  PHE  39           HE2      PHE  39  -7.880  -7.418  -7.418
  255    HE2  PHE  39           HE1      PHE  39  -8.264 -10.505 -10.505
  256    HZ   PHE  39           HZ       PHE  39  -9.311  -8.878  -8.878
  257    H    LYS  40           HN       LYS  40  -4.451  -6.913  -6.913
  258    HA   LYS  40           HA       LYS  40  -4.508  -8.541  -8.541
  259   1HB   LYS  40           HB2      LYS  40  -2.932  -5.883  -5.883
  260   2HB   LYS  40           HB1      LYS  40  -3.816  -6.567  -6.567
  261   1HG   LYS  40           HG2      LYS  40  -2.516  -8.619  -8.619
  262   2HG   LYS  40           HG1      LYS  40  -1.549  -8.075  -8.075
  263   1HD   LYS  40           HD2      LYS  40  -0.434  -6.364  -6.364
  264   2HD   LYS  40           HD1      LYS  40  -1.661  -6.428  -6.428
  265   1HE   LYS  40           HE2      LYS  40   0.486  -7.473  -7.473
  266   2HE   LYS  40           HE1      LYS  40  -0.875  -8.664  -8.664
  267   1HZ   LYS  40           HZ1      LYS  40   1.162  -8.397  -8.397
  268   2HZ   LYS  40           HZ3      LYS  40   1.149  -9.552  -9.552
  269   3HZ   LYS  40           HZ2      LYS  40  -0.081  -9.547  -9.547
  270    H    VAL  41           HN       VAL  41  -6.352  -8.203  -8.203
  271    HA   VAL  41           HA       VAL  41  -8.097  -7.378  -7.378
  272    HB   VAL  41           HB       VAL  41  -8.095  -5.051  -5.051
  273   1HG1  VAL  41          HG11      VAL  41 -10.264  -6.545  -6.545
  274   2HG1  VAL  41          HG13      VAL  41 -10.675  -5.426  -5.426
  275   3HG1  VAL  41          HG12      VAL  41  -9.853  -4.790  -4.790
  276   1HG2  VAL  41          HG22      VAL  41  -9.206  -7.903  -7.903
  277   2HG2  VAL  41          HG21      VAL  41  -7.901  -7.105  -7.105
  278   3HG2  VAL  41          HG23      VAL  41  -9.572  -6.486  -6.486
  279    H    GLY  42           HN       GLY  42  -8.703  -4.761  -4.761
  280   1HA   GLY  42           HA2      GLY  42  -7.092  -3.093  -3.093
  281   2HA   GLY  42           HA1      GLY  42  -6.527  -4.603  -4.603
  282    H    HIS  43           HN       HIS  43  -7.678  -4.838  -4.838
  283    HA   HIS  43           HA       HIS  43 -10.604  -4.669  -4.669
  284   1HB   HIS  43           HB2      HIS  43  -8.912  -3.732  -3.732
  285   2HB   HIS  43           HB1      HIS  43 -10.689  -3.880  -3.880
  286    HD1  HIS  43           HD1      HIS  43  -9.675  -1.293  -1.293
  287    HD2  HIS  43           HD2      HIS  43 -10.218  -2.033  -2.033
  288    HE1  HIS  43           HE1      HIS  43  -9.815   0.955   0.955
  289    HE2  HIS  43           HE2      HIS  43 -10.171   0.463   0.463
  290    H    GLY  44           HN       GLY  44  -7.439  -5.840  -5.840
  291   1HA   GLY  44           HA2      GLY  44  -8.325  -8.437  -8.437
  292   2HA   GLY  44           HA1      GLY  44  -8.002  -7.606  -7.606
  293    H    LEU  45           HN       LEU  45  -5.849  -9.192  -9.192
  294    HA   LEU  45           HA       LEU  45  -4.185  -8.338  -8.338
  295   1HB   LEU  45           HB2      LEU  45  -4.353 -10.659 -10.659
  296   2HB   LEU  45           HB1      LEU  45  -3.342 -10.013 -10.013
  297    HG   LEU  45           HG       LEU  45  -2.482  -9.974  -9.974
  298   1HD1  LEU  45          HD12      LEU  45  -3.079 -12.305 -12.305
  299   2HD1  LEU  45          HD11      LEU  45  -2.034 -12.241 -12.241
  300   3HD1  LEU  45          HD13      LEU  45  -1.292 -12.133 -12.133
  301   1HD2  LEU  45          HD21      LEU  45  -0.826  -9.935  -9.935
  302   2HD2  LEU  45          HD23      LEU  45  -1.060  -8.562  -8.562
  303   3HD2  LEU  45          HD22      LEU  45  -0.152 -10.017 -10.017
  304    H    ALA  46           HN       ALA  46  -2.844  -6.591  -6.591
  305    HA   ALA  46           HA       ALA  46  -2.734  -5.011  -5.011
  306   1HB   ALA  46           HB1      ALA  46  -4.073  -4.030  -4.030
  307   2HB   ALA  46           HB3      ALA  46  -2.580  -4.072  -4.072
  308   3HB   ALA  46           HB2      ALA  46  -2.665  -3.014  -3.014
  309    H    CYS  47           HN       CYS  47  -0.659  -3.159  -3.159
  310    HA   CYS  47           HA       CYS  47   1.540  -5.101  -5.101
  311   1HB   CYS  47           HB2      CYS  47   1.434  -4.568  -4.568
  312   2HB   CYS  47           HB1      CYS  47   1.283  -2.831  -2.831
  313    H    TRP  48           HN       TRP  48   3.483  -3.848  -3.848
  314    HA   TRP  48           HA       TRP  48   2.474  -1.625  -1.625
  315   1HB   TRP  48           HB2      TRP  48   2.861  -3.671  -3.671
  316   2HB   TRP  48           HB1      TRP  48   4.484  -3.854  -3.854
  317    HD1  TRP  48           HD1      TRP  48   6.427  -2.077  -2.077
  318    HE1  TRP  48           HE1      TRP  48   6.592  -0.460  -0.460
  319    HE3  TRP  48           HE3      TRP  48   1.579  -2.369  -2.369
  320    HZ2  TRP  48           HZ2      TRP  48   4.821   0.527   0.527
  321    HZ3  TRP  48           HZ3      TRP  48   0.854  -1.045  -1.045
  322    HH2  TRP  48           HH2      TRP  48   2.452   0.384   0.384
  323    H    CYS  49           HN       CYS  49   4.151   0.117   0.117
  324    HA   CYS  49           HA       CYS  49   6.623  -0.341  -0.341
  325   1HB   CYS  49           HB2      CYS  49   4.607   1.772   1.772
  326   2HB   CYS  49           HB1      CYS  49   6.376   2.055   2.055
  327    H    ASN  50           HN       ASN  50   8.167   1.099   1.099
  328    HA   ASN  50           HA       ASN  50   7.186   2.770   2.770
  329   1HB   ASN  50           HB2      ASN  50   9.736   1.123   1.123
  330   2HB   ASN  50           HB1      ASN  50   9.931   2.740   2.740
  331   1HD2  ASN  50          HD22      ASN  50   8.992   1.657   1.657
  332   2HD2  ASN  50          HD21      ASN  50   9.830   2.802   2.802
  333    H    ALA  51           HN       ALA  51   7.692   4.910   4.910
  334    HA   ALA  51           HA       ALA  51   8.501   6.774   6.774
  335   1HB   ALA  51           HB3      ALA  51  10.745   5.912   5.912
  336   2HB   ALA  51           HB2      ALA  51  10.895   5.304   5.304
  337   3HB   ALA  51           HB1      ALA  51  10.808   7.077   7.077
  338    H    LEU  52           HN       LEU  52   6.477   6.289   6.289
  339    HA   LEU  52           HA       LEU  52   7.275   6.603   6.603
  340   1HB   LEU  52           HB2      LEU  52   4.536   6.225   6.225
  341   2HB   LEU  52           HB1      LEU  52   4.683   6.744   6.744
  342    HG   LEU  52           HG       LEU  52   5.911   4.154   4.154
  343   1HD1  LEU  52          HD12      LEU  52   3.147   4.725   4.725
  344   2HD1  LEU  52          HD11      LEU  52   3.860   3.086   3.086
  345   3HD1  LEU  52          HD13      LEU  52   3.489   4.061   4.061
  346   1HD2  LEU  52          HD23      LEU  52   6.837   5.076   5.076
  347   2HD2  LEU  52          HD22      LEU  52   6.051   3.468   3.468
  348   3HD2  LEU  52          HD21      LEU  52   5.185   4.944   4.944
  349    HA   PRO  53           HA       PRO  53   6.433  10.929  10.929
  350   1HB   PRO  53           HB2      PRO  53   6.166  11.902  11.902
  351   2HB   PRO  53           HB1      PRO  53   7.757  11.379  11.379
  352   1HG   PRO  53           HG1      PRO  53   5.871   9.810   9.810
  353   2HG   PRO  53           HG2      PRO  53   7.669   9.960   9.960
  354   1HD   PRO  53           HD1      PRO  53   6.308   7.809   7.809
  355   2HD   PRO  53           HD2      PRO  53   7.975   8.309   8.309
  356    H    ASP  54           HN       ASP  54   4.662  12.589  12.589
  357    HA   ASP  54           HA       ASP  54   2.338  11.343  11.343
  358   1HB   ASP  54           HB2      ASP  54   2.776  14.200  14.200
  359   2HB   ASP  54           HB1      ASP  54   1.342  13.650  13.650
  360    H    ASN  55           HN       ASN  55   3.340  12.002  12.002
  361    HA   ASN  55           HA       ASN  55   0.710  12.408  12.408
  362   1HB   ASN  55           HB2      ASN  55   1.783  12.179  12.179
  363   2HB   ASN  55           HB1      ASN  55   2.620  13.374  13.374
  364   1HD2  ASN  55          HD22      ASN  55   4.694  10.081  10.081
  365   2HD2  ASN  55          HD21      ASN  55   2.995  10.233  10.233
  366    H    VAL  56           HN       VAL  56   2.206   9.647   9.647
  367    HA   VAL  56           HA       VAL  56   0.926   7.870   7.870
  368    HB   VAL  56           HB       VAL  56   2.491   6.985   6.985
  369   1HG1  VAL  56          HG13      VAL  56   1.831   5.770   5.770
  370   2HG1  VAL  56          HG12      VAL  56   2.816   4.979   4.979
  371   3HG1  VAL  56          HG11      VAL  56   1.069   5.305   5.305
  372   1HG2  VAL  56          HG21      VAL  56   3.601   7.842   7.842
  373   2HG2  VAL  56          HG23      VAL  56   3.966   8.592   8.592
  374   3HG2  VAL  56          HG22      VAL  56   4.512   6.934   6.934
  375    H    GLY  57           HN       GLY  57  -1.288   7.747   7.747
  376   1HA   GLY  57           HA2      GLY  57  -2.211   8.183   8.183
  377   2HA   GLY  57           HA1      GLY  57  -3.190   7.824   7.824
  378    H    ILE  58           HN       ILE  58  -3.436   6.473   6.473
  379    HA   ILE  58           HA       ILE  58  -2.430   3.830   3.830
  380    HB   ILE  58           HB       ILE  58  -1.606   3.510   3.510
  381   1HG1  ILE  58          HG12      ILE  58  -1.838   6.542   6.542
  382   2HG1  ILE  58          HG11      ILE  58  -2.997   5.340   5.340
  383   1HG2  ILE  58          HG21      ILE  58  -0.161   4.281   4.281
  384   2HG2  ILE  58          HG23      ILE  58  -0.236   5.945   5.945
  385   3HG2  ILE  58          HG22      ILE  58   0.536   4.625   4.625
  386   1HD1  ILE  58          HD13      ILE  58  -1.138   4.134   4.134
  387   2HD1  ILE  58          HD12      ILE  58   0.033   5.368   5.368
  388   3HD1  ILE  58          HD11      ILE  58  -1.279   5.849   5.849
  389    H    ILE  59           HN       ILE  59  -3.342   2.673   2.673
  390    HA   ILE  59           HA       ILE  59  -6.106   2.637   2.637
  391    HB   ILE  59           HB       ILE  59  -5.378   1.594   1.594
  392   1HG1  ILE  59          HG12      ILE  59  -3.320   0.906   0.906
  393   2HG1  ILE  59          HG11      ILE  59  -4.423  -0.467  -0.467
  394   1HG2  ILE  59          HG21      ILE  59  -7.628   1.391   1.391
  395   2HG2  ILE  59          HG23      ILE  59  -6.905   0.485   0.485
  396   3HG2  ILE  59          HG22      ILE  59  -6.880  -0.229  -0.229
  397   1HD1  ILE  59          HD12      ILE  59  -5.017  -0.109  -0.109
  398   2HD1  ILE  59          HD11      ILE  59  -3.367   0.629   0.629
  399   3HD1  ILE  59          HD13      ILE  59  -3.585  -1.065  -1.065
  400    H    VAL  60           HN       VAL  60  -7.602   4.062   4.062
  401    HA   VAL  60           HA       VAL  60  -6.790   5.991   5.991
  402    HB   VAL  60           HB       VAL  60  -7.251   6.122   6.122
  403   1HG1  VAL  60          HG11      VAL  60  -8.388   8.243   8.243
  404   2HG1  VAL  60          HG13      VAL  60  -7.970   8.525   8.525
  405   3HG1  VAL  60          HG12      VAL  60  -9.222   7.304   7.304
  406   1HG2  VAL  60          HG22      VAL  60  -5.022   6.464   6.464
  407   2HG2  VAL  60          HG21      VAL  60  -5.575   7.951   7.951
  408   3HG2  VAL  60          HG23      VAL  60  -5.675   7.863   7.863
  409    H    GLU  61           HN       GLU  61  -8.068   3.693   3.693
  410    HA   GLU  61           HA       GLU  61 -10.827   3.743   3.743
  411   1HB   GLU  61           HB2      GLU  61  -9.791   1.674   1.674
  412   2HB   GLU  61           HB1      GLU  61  -9.238   1.707   1.707
  413   1HG   GLU  61           HG2      GLU  61 -11.653   1.503   1.503
  414   2HG   GLU  61           HG1      GLU  61 -12.162   1.531   1.531
  415    H    GLY  62           HN       GLY  62 -11.740   5.513   5.513
  416   1HA   GLY  62           HA2      GLY  62 -13.088   4.594   4.594
  417   2HA   GLY  62           HA1      GLY  62 -12.522   6.333   6.333
  418    H    GLU  63           HN       GLU  63 -13.192   4.248   4.248
  419    HA   GLU  63           HA       GLU  63 -15.614   4.935   4.935
  420   1HB   GLU  63           HB2      GLU  63 -14.549   7.334   7.334
  421   2HB   GLU  63           HB1      GLU  63 -13.293   6.609   6.609
  422   1HG   GLU  63           HG2      GLU  63 -15.013   7.785   7.785
  423   2HG   GLU  63           HG1      GLU  63 -15.082   6.029   6.029
  424    H    LYS  64           HN       LYS  64 -14.813   4.281   4.281
  425    HA   LYS  64           HA       LYS  64 -12.647   2.353   2.353
  426   1HB   LYS  64           HB2      LYS  64 -15.113   1.301   1.301
  427   2HB   LYS  64           HB1      LYS  64 -15.051   1.556   1.556
  428   1HG   LYS  64           HG2      LYS  64 -12.771   0.201   0.201
  429   2HG   LYS  64           HG1      LYS  64 -13.176  -0.109  -0.109
  430   1HD   LYS  64           HD2      LYS  64 -15.354  -1.166  -1.166
  431   2HD   LYS  64           HD1      LYS  64 -14.859  -0.941  -0.941
  432   1HE   LYS  64           HE2      LYS  64 -12.819  -2.397  -2.397
  433   2HE   LYS  64           HE1      LYS  64 -13.369  -2.643  -2.643
  434   1HZ   LYS  64           HZ2      LYS  64 -14.878  -3.399  -3.399
  435   2HZ   LYS  64           HZ1      LYS  64 -14.003  -4.443  -4.443
  436   3HZ   LYS  64           HZ3      LYS  64 -15.377  -3.647  -3.647
  437    H    CYS  65           HN       CYS  65 -13.201   1.552   1.552
  438    HA   CYS  65           HA       CYS  65 -11.472   3.600   3.600
  439   1HB   CYS  65           HB2      CYS  65 -11.087   1.098   1.098
  440   2HB   CYS  65           HB1      CYS  65 -12.468   1.059   1.059
  441    H    HIS  66           HN       HIS  66 -11.801   4.714   4.714
  442    HA   HIS  66           HA       HIS  66 -14.573   4.770   4.770
  443   1HB   HIS  66           HB2      HIS  66 -14.380   7.254   7.254
  444   2HB   HIS  66           HB1      HIS  66 -14.467   6.866   6.866
  445    HD1  HIS  66           HD1      HIS  66 -12.302   7.212   7.212
  446    HD2  HIS  66           HD2      HIS  66 -11.928   8.482   8.482
  447    HE1  HIS  66           HE1      HIS  66 -10.205   8.633   8.633
  448    HE2  HIS  66           HE2      HIS  66 -10.026   9.383   9.383
  449    H    SER  67           HN       SER  67 -14.313   5.851   5.851
  450    HA   SER  67           HA       SER  67 -11.804   5.879   5.879
  451   1HB   SER  67           HB2      SER  67 -13.573   3.335   3.335
  452   2HB   SER  67           HB1      SER  67 -12.342   3.844   3.844
  453    HG   SER  67           HG       SER  67 -11.615   3.557   3.557
  454   1HN   NH2  68           H1       NH2  68 -12.673   6.074   6.074
  455   2HN   NH2  68           H2       NH2  68 -14.251   6.778   6.778

  Start of MODEL   16
    1   1H    VAL   1           HT1      VAL   1   5.410  11.683  11.683
    2   2H    VAL   1           HT3      VAL   1   6.713  10.953  10.953
    3   3H    VAL   1           HT2      VAL   1   6.992  11.886  11.886
    4    HA   VAL   1           HA       VAL   1   5.749  10.340  10.340
    5    HB   VAL   1           HB       VAL   1   7.341   8.429   8.429
    6   1HG1  VAL   1          HG13      VAL   1   8.006  10.639  10.639
    7   2HG1  VAL   1          HG12      VAL   1   8.750  11.128  11.128
    8   3HG1  VAL   1          HG11      VAL   1   9.411   9.725   9.725
    9   1HG2  VAL   1          HG23      VAL   1   8.359   9.622   9.622
   10   2HG2  VAL   1          HG22      VAL   1   7.525   8.035   8.035
   11   3HG2  VAL   1          HG21      VAL   1   9.142   8.302   8.302
   12    H    ARG   2           HN       ARG   2   4.868   8.046   8.046
   13    HA   ARG   2           HA       ARG   2   3.370   7.391   7.391
   14   1HB   ARG   2           HB2      ARG   2   3.136   6.117   6.117
   15   2HB   ARG   2           HB1      ARG   2   2.148   5.725   5.725
   16   1HG   ARG   2           HG2      ARG   2   0.724   6.975   6.975
   17   2HG   ARG   2           HG1      ARG   2   1.322   8.207   8.207
   18   1HD   ARG   2           HD2      ARG   2   2.661   9.282   9.282
   19   2HD   ARG   2           HD1      ARG   2   2.481   7.829   7.829
   20    HE   ARG   2           HE       ARG   2   0.302   8.444   8.444
   21   1HH1  ARG   2          HH11      ARG   2   1.429  10.624  10.624
   22   2HH1  ARG   2          HH12      ARG   2   0.126  11.741  11.741
   23   1HH2  ARG   2          HH21      ARG   2  -1.357   9.993   9.993
   24   2HH2  ARG   2          HH22      ARG   2  -1.489  11.383  11.383
   25    H    ASP   3           HN       ASP   3   3.629   5.254   5.254
   26    HA   ASP   3           HA       ASP   3   5.180   3.368   3.368
   27   1HB   ASP   3           HB2      ASP   3   5.012   3.323   3.323
   28   2HB   ASP   3           HB1      ASP   3   5.846   2.145   2.145
   29    H    GLY   4           HN       GLY   4   3.402   1.939   1.939
   30   1HA   GLY   4           HA2      GLY   4   1.158   1.812   1.812
   31   2HA   GLY   4           HA1      GLY   4   0.923   2.914   2.914
   32    H    TYR   5           HN       TYR   5  -0.742   0.947   0.947
   33    HA   TYR   5           HA       TYR   5   0.528  -1.174  -1.174
   34   1HB   TYR   5           HB2      TYR   5  -2.422  -0.465  -0.465
   35   2HB   TYR   5           HB1      TYR   5  -1.863  -1.815  -1.815
   36    HD1  TYR   5           HD1      TYR   5  -0.726  -3.745  -3.745
   37    HD2  TYR   5           HD2      TYR   5  -2.304  -0.689  -0.689
   38    HE1  TYR   5           HE1      TYR   5  -0.797  -5.344  -5.344
   39    HE2  TYR   5           HE2      TYR   5  -2.353  -2.295  -2.295
   40    HH   TYR   5           HH       TYR   5  -2.200  -5.659  -5.659
   41    H    ILE   6           HN       ILE   6   0.491  -1.040  -1.040
   42    HA   ILE   6           HA       ILE   6  -0.226   1.598   1.598
   43    HB   ILE   6           HB       ILE   6   2.102   0.925   0.925
   44   1HG1  ILE   6          HG12      ILE   6   0.382   1.036   1.036
   45   2HG1  ILE   6          HG11      ILE   6   0.876   2.452   2.452
   46   1HG2  ILE   6          HG23      ILE   6   1.787  -1.518  -1.518
   47   2HG2  ILE   6          HG22      ILE   6   0.829  -1.385  -1.385
   48   3HG2  ILE   6          HG21      ILE   6   2.569  -0.960  -0.960
   49   1HD1  ILE   6          HD12      ILE   6   3.307   1.877   1.877
   50   2HD1  ILE   6          HD11      ILE   6   2.714   0.549   0.549
   51   3HD1  ILE   6          HD13      ILE   6   2.314   2.259   2.259
   52    H    ALA   7           HN       ALA   7  -1.455   1.619   1.619
   53    HA   ALA   7           HA       ALA   7  -3.017  -0.517  -0.517
   54   1HB   ALA   7           HB2      ALA   7  -4.088   1.721   1.721
   55   2HB   ALA   7           HB1      ALA   7  -5.139   1.141   1.141
   56   3HB   ALA   7           HB3      ALA   7  -4.613   0.004   0.004
   57    H    GLN   8           HN       GLN   8  -4.681   1.030   1.030
   58    HA   GLN   8           HA       GLN   8  -2.829   2.678   2.678
   59   1HB   GLN   8           HB2      GLN   8  -5.635   1.524   1.524
   60   2HB   GLN   8           HB1      GLN   8  -4.618   2.397   2.397
   61   1HG   GLN   8           HG2      GLN   8  -2.917   0.604   0.604
   62   2HG   GLN   8           HG1      GLN   8  -3.783  -0.259  -0.259
   63   1HE2  GLN   8          HE22      GLN   8  -6.164  -1.810  -1.810
   64   2HE2  GLN   8          HE21      GLN   8  -5.612  -1.569  -1.569
   65    HA   PRO   9           HA       PRO   9  -4.322   6.016   6.016
   66   1HB   PRO   9           HB2      PRO   9  -4.584   8.119   8.119
   67   2HB   PRO   9           HB1      PRO   9  -3.038   7.411   7.411
   68   1HG   PRO   9           HG1      PRO   9  -4.612   6.642   6.642
   69   2HG   PRO   9           HG2      PRO   9  -2.838   6.969   6.969
   70   1HD   PRO   9           HD1      PRO   9  -3.795   4.406   4.406
   71   2HD   PRO   9           HD2      PRO   9  -2.499   4.872   4.872
   72    H    GLU  10           HN       GLU  10  -6.995   4.843   4.843
   73    HA   GLU  10           HA       GLU  10  -8.684   6.987   6.987
   74   1HB   GLU  10           HB2      GLU  10  -9.749   4.531   4.531
   75   2HB   GLU  10           HB1      GLU  10 -10.425   6.160   6.160
   76   1HG   GLU  10           HG2      GLU  10  -9.757   6.152   6.152
   77   2HG   GLU  10           HG1      GLU  10  -8.403   7.021   7.021
   78    H    ASN  11           HN       ASN  11  -7.111   4.612   4.612
   79    HA   ASN  11           HA       ASN  11  -7.303   3.923   3.923
   80   1HB   ASN  11           HB2      ASN  11  -8.995   5.846   5.846
   81   2HB   ASN  11           HB1      ASN  11 -10.293   4.642   4.642
   82   1HD2  ASN  11          HD21      ASN  11 -10.023   4.956   4.956
   83   2HD2  ASN  11          HD22      ASN  11 -11.055   5.123   5.123
   84    H    CYS  12           HN       CYS  12  -7.201   2.211   2.211
   85    HA   CYS  12           HA       CYS  12  -9.161   0.067   0.067
   86   1HB   CYS  12           HB2      CYS  12  -8.513   1.391   1.391
   87   2HB   CYS  12           HB1      CYS  12  -8.411  -0.384  -0.384
   88    H    VAL  13           HN       VAL  13  -7.913  -1.868  -1.868
   89    HA   VAL  13           HA       VAL  13  -5.237  -1.440  -1.440
   90    HB   VAL  13           HB       VAL  13  -5.065  -4.024  -4.024
   91   1HG1  VAL  13          HG13      VAL  13  -6.620  -2.023  -2.023
   92   2HG1  VAL  13          HG12      VAL  13  -6.104  -3.670  -3.670
   93   3HG1  VAL  13          HG11      VAL  13  -4.875  -2.470  -2.470
   94   1HG2  VAL  13          HG21      VAL  13  -7.208  -4.531  -4.531
   95   2HG2  VAL  13          HG23      VAL  13  -7.150  -5.126  -5.126
   96   3HG2  VAL  13          HG22      VAL  13  -8.130  -3.671  -3.671
   97    H    TYR  14           HN       TYR  14  -3.443  -2.853  -2.853
   98    HA   TYR  14           HA       TYR  14  -3.328  -3.349  -3.349
   99   1HB   TYR  14           HB2      TYR  14  -1.529  -1.615  -1.615
  100   2HB   TYR  14           HB1      TYR  14  -0.646  -3.108  -3.108
  101    HD1  TYR  14           HD1      TYR  14  -1.950  -3.472  -3.472
  102    HD2  TYR  14           HD2      TYR  14  -0.007  -0.238  -0.238
  103    HE1  TYR  14           HE1      TYR  14  -1.122  -2.604  -2.604
  104    HE2  TYR  14           HE2      TYR  14   0.862   0.605   0.605
  105    HH   TYR  14           HH       TYR  14   0.771   0.400   0.400
  106    H    HIS  15           HN       HIS  15  -2.435  -5.701  -5.701
  107    HA   HIS  15           HA       HIS  15  -2.702  -6.737  -6.737
  108   1HB   HIS  15           HB2      HIS  15  -2.727  -8.123  -8.123
  109   2HB   HIS  15           HB1      HIS  15  -2.719  -8.996  -8.996
  110    HD1  HIS  15           HD1      HIS  15  -5.105  -9.500  -9.500
  111    HD2  HIS  15           HD2      HIS  15  -5.023  -6.413  -6.413
  112    HE1  HIS  15           HE1      HIS  15  -7.505  -8.939  -8.939
  113    HE2  HIS  15           HE2      HIS  15  -7.390  -7.101  -7.101
  114    H    CYS  16           HN       CYS  16  -0.825  -9.085  -9.085
  115    HA   CYS  16           HA       CYS  16   1.648  -7.771  -7.771
  116   1HB   CYS  16           HB2      CYS  16   0.892  -7.392  -7.392
  117   2HB   CYS  16           HB1      CYS  16   0.829  -9.163  -9.163
  118    H    PHE  17           HN       PHE  17   3.161  -9.985  -9.985
  119    HA   PHE  17           HA       PHE  17   1.661 -12.242 -12.242
  120   1HB   PHE  17           HB2      PHE  17   4.496 -11.215 -11.215
  121   2HB   PHE  17           HB1      PHE  17   3.691 -12.706 -12.706
  122    HD1  PHE  17           HD1      PHE  17   1.837 -12.532 -12.532
  123    HD2  PHE  17           HD2      PHE  17   3.803  -8.980  -8.980
  124    HE1  PHE  17           HE1      PHE  17   0.849 -11.233 -11.233
  125    HE2  PHE  17           HE2      PHE  17   2.824  -7.692  -7.692
  126    HZ   PHE  17           HZ       PHE  17   1.338  -8.810  -8.810
  127    HA   PRO  18           HA       PRO  18   3.392 -12.718 -12.718
  128   1HB   PRO  18           HB2      PRO  18   3.523 -15.674 -15.674
  129   2HB   PRO  18           HB1      PRO  18   3.096 -15.036 -15.036
  130   1HG   PRO  18           HG1      PRO  18   1.168 -15.699 -15.699
  131   2HG   PRO  18           HG2      PRO  18   0.948 -14.267 -14.267
  132   1HD   PRO  18           HD1      PRO  18   1.476 -14.270 -14.270
  133   2HD   PRO  18           HD2      PRO  18   0.949 -12.920 -12.920
  134    H    GLY  19           HN       GLY  19   5.458 -11.571 -11.571
  135   1HA   GLY  19           HA2      GLY  19   7.642 -12.791 -12.791
  136   2HA   GLY  19           HA1      GLY  19   7.694 -12.837 -12.837
  137    H    SER  20           HN       SER  20   9.399 -10.924 -10.924
  138    HA   SER  20           HA       SER  20   7.997  -8.418  -8.418
  139   1HB   SER  20           HB2      SER  20  10.387  -7.525  -7.525
  140   2HB   SER  20           HB1      SER  20  10.188  -8.473  -8.473
  141    HG   SER  20           HG       SER  20  12.008  -9.056  -9.056
  142    H    SER  21           HN       SER  21   9.480 -10.530 -10.530
  143    HA   SER  21           HA       SER  21  10.498  -8.973  -8.973
  144   1HB   SER  21           HB2      SER  21   8.840 -11.269 -11.269
  145   2HB   SER  21           HB1      SER  21  10.534 -10.784 -10.784
  146    HG   SER  21           HG       SER  21  10.433 -12.591 -12.591
  147    H    GLY  22           HN       GLY  22   7.086  -9.821  -9.821
  148   1HA   GLY  22           HA2      GLY  22   7.230  -8.147  -8.147
  149   2HA   GLY  22           HA1      GLY  22   5.777  -8.932  -8.932
  150    H    CYS  23           HN       CYS  23   5.945  -7.652  -7.652
  151    HA   CYS  23           HA       CYS  23   4.777  -5.163  -5.163
  152   1HB   CYS  23           HB2      CYS  23   3.599  -6.553  -6.553
  153   2HB   CYS  23           HB1      CYS  23   4.884  -6.031  -6.031
  154    H    ASP  24           HN       ASP  24   7.711  -6.321  -6.321
  155    HA   ASP  24           HA       ASP  24   8.561  -3.837  -3.837
  156   1HB   ASP  24           HB2      ASP  24   9.655  -6.014  -6.014
  157   2HB   ASP  24           HB1      ASP  24  10.312  -6.126  -6.126
  158    H    THR  25           HN       THR  25   9.032  -5.415  -5.415
  159    HA   THR  25           HA       THR  25  10.548  -3.229  -3.229
  160    HB   THR  25           HB       THR  25  10.010  -4.250  -4.250
  161    HG1  THR  25           HG1      THR  25   9.247  -6.471  -6.471
  162   1HG2  THR  25          HG21      THR  25  11.491  -5.798  -5.798
  163   2HG2  THR  25          HG23      THR  25  11.707  -6.086  -6.086
  164   3HG2  THR  25          HG22      THR  25  12.167  -4.501  -4.501
  165    H    LEU  26           HN       LEU  26   6.989  -3.940  -3.940
  166    HA   LEU  26           HA       LEU  26   6.377  -1.633  -1.633
  167   1HB   LEU  26           HB2      LEU  26   4.774  -3.102  -3.102
  168   2HB   LEU  26           HB1      LEU  26   4.090  -1.758  -1.758
  169    HG   LEU  26           HG       LEU  26   5.210  -4.251  -4.251
  170   1HD1  LEU  26          HD13      LEU  26   3.404  -4.912  -4.912
  171   2HD1  LEU  26          HD12      LEU  26   2.260  -3.817  -3.817
  172   3HD1  LEU  26          HD11      LEU  26   2.985  -5.231  -5.231
  173   1HD2  LEU  26          HD23      LEU  26   4.869  -2.192  -2.192
  174   2HD2  LEU  26          HD22      LEU  26   3.718  -3.498  -3.498
  175   3HD2  LEU  26          HD21      LEU  26   3.156  -2.105  -2.105
  176    H    CYS  27           HN       CYS  27   6.567  -2.124  -2.124
  177    HA   CYS  27           HA       CYS  27   5.743   0.489   0.489
  178   1HB   CYS  27           HB2      CYS  27   5.916  -1.509  -1.509
  179   2HB   CYS  27           HB1      CYS  27   7.587  -0.933  -0.933
  180    H    LYS  28           HN       LYS  28   9.002  -0.836  -0.836
  181    HA   LYS  28           HA       LYS  28  10.391   1.480   1.480
  182   1HB   LYS  28           HB2      LYS  28  11.375  -0.777  -0.777
  183   2HB   LYS  28           HB1      LYS  28  11.113  -0.625  -0.625
  184   1HG   LYS  28           HG2      LYS  28  12.768   1.182   1.182
  185   2HG   LYS  28           HG1      LYS  28  12.771   1.388   1.388
  186   1HD   LYS  28           HD2      LYS  28  14.815   0.246   0.246
  187   2HD   LYS  28           HD1      LYS  28  13.808  -0.801  -0.801
  188   1HE   LYS  28           HE2      LYS  28  12.993  -2.090  -2.090
  189   2HE   LYS  28           HE1      LYS  28  13.985  -1.028  -1.028
  190   1HZ   LYS  28           HZ1      LYS  28  15.011  -2.773  -2.773
  191   2HZ   LYS  28           HZ3      LYS  28  15.062  -3.101  -3.101
  192   3HZ   LYS  28           HZ2      LYS  28  15.946  -1.798  -1.798
  193    H    GLU  29           HN       GLU  29   8.643   0.598   0.598
  194    HA   GLU  29           HA       GLU  29   9.688   2.911   2.911
  195   1HB   GLU  29           HB2      GLU  29   8.497   2.430   2.430
  196   2HB   GLU  29           HB1      GLU  29   8.958   0.831   0.831
  197   1HG   GLU  29           HG2      GLU  29   6.573   0.574   0.574
  198   2HG   GLU  29           HG1      GLU  29   6.173   2.189   2.189
  199    H    LYS  30           HN       LYS  30   6.753   2.194   2.194
  200    HA   LYS  30           HA       LYS  30   5.483   4.668   4.668
  201   1HB   LYS  30           HB2      LYS  30   5.127   2.829   2.829
  202   2HB   LYS  30           HB1      LYS  30   4.057   4.208   4.208
  203   1HG   LYS  30           HG2      LYS  30   4.497   1.725   1.725
  204   2HG   LYS  30           HG1      LYS  30   3.124   1.934   1.934
  205   1HD   LYS  30           HD2      LYS  30   3.619   3.942   3.942
  206   2HD   LYS  30           HD1      LYS  30   2.859   2.355   2.355
  207   1HE   LYS  30           HE2      LYS  30   1.090   4.013   4.013
  208   2HE   LYS  30           HE1      LYS  30   1.042   2.852   2.852
  209   1HZ   LYS  30           HZ3      LYS  30   2.238   4.513   4.513
  210   2HZ   LYS  30           HZ2      LYS  30   2.155   5.605   5.605
  211   3HZ   LYS  30           HZ1      LYS  30   0.729   5.062   5.062
  212    H    GLY  31           HN       GLY  31   7.603   3.550   3.550
  213   1HA   GLY  31           HA2      GLY  31   9.414   5.066   5.066
  214   2HA   GLY  31           HA1      GLY  31   8.233   6.402   6.402
  215    H    GLY  32           HN       GLY  32   8.248   3.014   3.014
  216   1HA   GLY  32           HA2      GLY  32   8.706   4.175   4.175
  217   2HA   GLY  32           HA1      GLY  32   7.835   2.636   2.636
  218    H    THR  33           HN       THR  33  10.460   3.148   3.148
  219    HA   THR  33           HA       THR  33  12.438   2.086   2.086
  220    HB   THR  33           HB       THR  33  13.928   2.432   2.432
  221    HG1  THR  33           HG1      THR  33  12.263   2.601   2.601
  222   1HG2  THR  33          HG21      THR  33  12.459   4.800   4.800
  223   2HG2  THR  33          HG23      THR  33  14.011   4.906   4.906
  224   3HG2  THR  33          HG22      THR  33  13.927   3.953   3.953
  225    H    SER  34           HN       SER  34   9.975   0.619   0.619
  226    HA   SER  34           HA       SER  34  11.355  -1.795  -1.795
  227   1HB   SER  34           HB2      SER  34  10.297  -1.125  -1.125
  228   2HB   SER  34           HB1      SER  34  10.877  -2.744  -2.744
  229    HG   SER  34           HG       SER  34  12.721  -0.863  -0.863
  230    H    GLY  35           HN       GLY  35   9.525  -3.538  -3.538
  231   1HA   GLY  35           HA2      GLY  35   6.904  -2.506  -2.506
  232   2HA   GLY  35           HA1      GLY  35   7.506  -2.991  -2.991
  233    H    HIS  36           HN       HIS  36   5.668  -4.496  -4.496
  234    HA   HIS  36           HA       HIS  36   7.047  -7.000  -7.000
  235   1HB   HIS  36           HB2      HIS  36   8.116  -5.866  -5.866
  236   2HB   HIS  36           HB1      HIS  36   6.490  -5.388  -5.388
  237    HD1  HIS  36           HD1      HIS  36   5.953  -6.794  -6.794
  238    HD2  HIS  36           HD2      HIS  36   8.020  -9.037  -9.037
  239    HE1  HIS  36           HE1      HIS  36   6.141  -9.159  -9.159
  240    HE2  HIS  36           HE2      HIS  36   7.411 -10.477 -10.477
  241    H    CYS  37           HN       CYS  37   5.186  -8.400  -8.400
  242    HA   CYS  37           HA       CYS  37   2.655  -7.301  -7.301
  243   1HB   CYS  37           HB2      CYS  37   3.173 -10.116 -10.116
  244   2HB   CYS  37           HB1      CYS  37   1.667  -9.515  -9.515
  245    H    GLY  38           HN       GLY  38   0.774  -8.349  -8.349
  246   1HA   GLY  38           HA2      GLY  38   1.163  -8.409  -8.409
  247   2HA   GLY  38           HA1      GLY  38   0.782  -6.679  -6.679
  248    H    PHE  39           HN       PHE  39  -1.604  -7.376  -7.376
  249    HA   PHE  39           HA       PHE  39  -3.107  -8.108  -8.108
  250   1HB   PHE  39           HB2      PHE  39  -2.768 -10.268 -10.268
  251   2HB   PHE  39           HB1      PHE  39  -3.715  -9.363  -9.363
  252    HD1  PHE  39           HD1      PHE  39  -3.740 -11.140 -11.140
  253    HD2  PHE  39           HD2      PHE  39  -6.152  -8.965  -8.965
  254    HE1  PHE  39           HE1      PHE  39  -5.783 -12.123 -12.123
  255    HE2  PHE  39           HE2      PHE  39  -8.193  -9.952  -9.952
  256    HZ   PHE  39           HZ       PHE  39  -8.012 -11.545 -11.545
  257    H    LYS  40           HN       LYS  40  -4.957  -6.612  -6.612
  258    HA   LYS  40           HA       LYS  40  -4.781  -4.895  -4.895
  259   1HB   LYS  40           HB2      LYS  40  -3.942  -3.522  -3.522
  260   2HB   LYS  40           HB1      LYS  40  -5.306  -4.075  -4.075
  261   1HG   LYS  40           HG2      LYS  40  -5.604  -1.754  -1.754
  262   2HG   LYS  40           HG1      LYS  40  -6.939  -2.849  -2.849
  263   1HD   LYS  40           HD2      LYS  40  -5.995  -2.978  -2.978
  264   2HD   LYS  40           HD1      LYS  40  -4.613  -1.952  -1.952
  265   1HE   LYS  40           HE2      LYS  40  -6.283  -0.612  -0.612
  266   2HE   LYS  40           HE1      LYS  40  -6.216  -0.053  -0.053
  267   1HZ   LYS  40           HZ1      LYS  40  -8.221  -1.960  -1.960
  268   2HZ   LYS  40           HZ3      LYS  40  -8.458  -0.291  -0.291
  269   3HZ   LYS  40           HZ2      LYS  40  -8.184  -1.298  -1.298
  270    H    VAL  41           HN       VAL  41  -6.461  -5.852  -5.852
  271    HA   VAL  41           HA       VAL  41  -8.547  -7.115  -7.115
  272    HB   VAL  41           HB       VAL  41  -8.912  -6.196  -6.196
  273   1HG1  VAL  41          HG13      VAL  41  -9.416  -8.822  -8.822
  274   2HG1  VAL  41          HG12      VAL  41  -9.830  -8.548  -8.548
  275   3HG1  VAL  41          HG11      VAL  41 -10.663  -7.594  -7.594
  276   1HG2  VAL  41          HG23      VAL  41  -6.840  -8.296  -8.296
  277   2HG2  VAL  41          HG22      VAL  41  -6.523  -6.797  -6.797
  278   3HG2  VAL  41          HG21      VAL  41  -7.473  -8.133  -8.133
  279    H    GLY  42           HN       GLY  42 -10.608  -6.374  -6.374
  280   1HA   GLY  42           HA2      GLY  42 -12.305  -4.730  -4.730
  281   2HA   GLY  42           HA1      GLY  42 -11.012  -3.463  -3.463
  282    H    HIS  43           HN       HIS  43  -9.175  -4.801  -4.801
  283    HA   HIS  43           HA       HIS  43 -10.697  -4.418  -4.418
  284   1HB   HIS  43           HB2      HIS  43  -7.723  -4.054  -4.054
  285   2HB   HIS  43           HB1      HIS  43  -8.361  -4.205  -4.205
  286    HD1  HIS  43           HD1      HIS  43  -9.387  -2.140  -2.140
  287    HD2  HIS  43           HD2      HIS  43  -8.560  -1.598  -1.598
  288    HE1  HIS  43           HE1      HIS  43  -9.560   0.343   0.343
  289    HE2  HIS  43           HE2      HIS  43  -9.111   0.619   0.619
  290    H    GLY  44           HN       GLY  44  -7.764  -6.233  -6.233
  291   1HA   GLY  44           HA2      GLY  44  -8.448  -8.707  -8.707
  292   2HA   GLY  44           HA1      GLY  44  -8.419  -8.292  -8.292
  293    H    LEU  45           HN       LEU  45  -6.553  -9.352  -9.352
  294    HA   LEU  45           HA       LEU  45  -4.060  -9.012  -9.012
  295   1HB   LEU  45           HB2      LEU  45  -4.554 -10.938 -10.938
  296   2HB   LEU  45           HB1      LEU  45  -4.932  -9.797  -9.797
  297    HG   LEU  45           HG       LEU  45  -2.548  -9.103  -9.103
  298   1HD1  LEU  45          HD12      LEU  45  -1.990 -11.344 -11.344
  299   2HD1  LEU  45          HD11      LEU  45  -0.762 -10.456 -10.456
  300   3HD1  LEU  45          HD13      LEU  45  -1.735  -9.578  -9.578
  301   1HD2  LEU  45          HD22      LEU  45  -3.503 -10.918 -10.918
  302   2HD2  LEU  45          HD21      LEU  45  -1.756 -11.185 -11.185
  303   3HD2  LEU  45          HD23      LEU  45  -3.001 -12.149 -12.149
  304    H    ALA  46           HN       ALA  46  -2.377  -7.303  -7.303
  305    HA   ALA  46           HA       ALA  46  -3.174  -5.248  -5.248
  306   1HB   ALA  46           HB2      ALA  46  -3.093  -4.766  -4.766
  307   2HB   ALA  46           HB1      ALA  46  -3.218  -3.477  -3.477
  308   3HB   ALA  46           HB3      ALA  46  -4.573  -4.637  -4.637
  309    H    CYS  47           HN       CYS  47  -1.050  -3.548  -3.548
  310    HA   CYS  47           HA       CYS  47   1.090  -5.568  -5.568
  311   1HB   CYS  47           HB2      CYS  47   1.046  -5.184  -5.184
  312   2HB   CYS  47           HB1      CYS  47   0.810  -3.440  -3.440
  313    H    TRP  48           HN       TRP  48   3.078  -4.406  -4.406
  314    HA   TRP  48           HA       TRP  48   2.147  -2.150  -2.150
  315   1HB   TRP  48           HB2      TRP  48   2.299  -4.170  -4.170
  316   2HB   TRP  48           HB1      TRP  48   3.880  -4.593  -4.593
  317    HD1  TRP  48           HD1      TRP  48   6.037  -3.147  -3.147
  318    HE1  TRP  48           HE1      TRP  48   6.455  -1.331  -1.331
  319    HE3  TRP  48           HE3      TRP  48   1.236  -2.621  -2.621
  320    HZ2  TRP  48           HZ2      TRP  48   4.894   0.024   0.024
  321    HZ3  TRP  48           HZ3      TRP  48   0.747  -1.073  -1.073
  322    HH2  TRP  48           HH2      TRP  48   2.554   0.239   0.239
  323    H    CYS  49           HN       CYS  49   3.825  -0.443  -0.443
  324    HA   CYS  49           HA       CYS  49   6.332  -1.063  -1.063
  325   1HB   CYS  49           HB2      CYS  49   4.666   1.370   1.370
  326   2HB   CYS  49           HB1      CYS  49   6.387   1.092   1.092
  327    H    ASN  50           HN       ASN  50   7.928   0.604   0.604
  328    HA   ASN  50           HA       ASN  50   7.093   2.211   2.211
  329   1HB   ASN  50           HB2      ASN  50   9.688   0.622   0.622
  330   2HB   ASN  50           HB1      ASN  50   9.708   2.115   2.115
  331   1HD2  ASN  50          HD22      ASN  50   8.567   0.547   0.547
  332   2HD2  ASN  50          HD21      ASN  50   9.294   1.922   1.922
  333    H    ALA  51           HN       ALA  51   7.600   4.322   4.322
  334    HA   ALA  51           HA       ALA  51   8.263   6.221   6.221
  335   1HB   ALA  51           HB2      ALA  51  10.596   5.432   5.432
  336   2HB   ALA  51           HB1      ALA  51  10.628   4.924   4.924
  337   3HB   ALA  51           HB3      ALA  51  10.467   6.668   6.668
  338    H    LEU  52           HN       LEU  52   6.185   5.828   5.828
  339    HA   LEU  52           HA       LEU  52   6.743   6.214   6.214
  340   1HB   LEU  52           HB2      LEU  52   4.139   5.723   5.723
  341   2HB   LEU  52           HB1      LEU  52   4.129   6.395   6.395
  342    HG   LEU  52           HG       LEU  52   5.555   3.766   3.766
  343   1HD1  LEU  52          HD12      LEU  52   2.652   4.160   4.160
  344   2HD1  LEU  52          HD11      LEU  52   3.543   2.593   2.593
  345   3HD1  LEU  52          HD13      LEU  52   3.175   3.460   3.460
  346   1HD2  LEU  52          HD23      LEU  52   6.135   4.978   4.978
  347   2HD2  LEU  52          HD22      LEU  52   5.435   3.342   3.342
  348   3HD2  LEU  52          HD21      LEU  52   4.425   4.806   4.806
  349    HA   PRO  53           HA       PRO  53   6.420  10.426  10.426
  350   1HB   PRO  53           HB2      PRO  53   6.436  11.826  11.826
  351   2HB   PRO  53           HB1      PRO  53   7.890  11.047  11.047
  352   1HG   PRO  53           HG1      PRO  53   6.051   9.931   9.931
  353   2HG   PRO  53           HG2      PRO  53   7.859   9.938   9.938
  354   1HD   PRO  53           HD1      PRO  53   6.309   7.736   7.736
  355   2HD   PRO  53           HD2      PRO  53   7.890   8.101   8.101
  356    H    ASP  54           HN       ASP  54   4.985  12.447  12.447
  357    HA   ASP  54           HA       ASP  54   2.412  11.535  11.535
  358   1HB   ASP  54           HB2      ASP  54   3.428  14.371  14.371
  359   2HB   ASP  54           HB1      ASP  54   1.863  13.964  13.964
  360    H    ASN  55           HN       ASN  55   3.770  12.008  12.008
  361    HA   ASN  55           HA       ASN  55   1.328  13.123  13.123
  362   1HB   ASN  55           HB2      ASN  55   2.525  13.072  13.072
  363   2HB   ASN  55           HB1      ASN  55   3.416  14.004  14.004
  364   1HD2  ASN  55          HD21      ASN  55   5.288  10.853  10.853
  365   2HD2  ASN  55          HD22      ASN  55   3.782  11.491  11.491
  366    H    VAL  56           HN       VAL  56   2.176  10.121  10.121
  367    HA   VAL  56           HA       VAL  56   0.989   8.709   8.709
  368    HB   VAL  56           HB       VAL  56   2.174   7.323   7.323
  369   1HG1  VAL  56          HG12      VAL  56   1.841   6.564   6.564
  370   2HG1  VAL  56          HG11      VAL  56   2.588   5.539   5.539
  371   3HG1  VAL  56          HG13      VAL  56   0.847   5.953   5.953
  372   1HG2  VAL  56          HG23      VAL  56   3.740   8.438   8.438
  373   2HG2  VAL  56          HG22      VAL  56   3.945   8.925   8.925
  374   3HG2  VAL  56          HG21      VAL  56   4.369   7.271   7.271
  375    H    GLY  57           HN       GLY  57  -0.916   7.253   7.253
  376   1HA   GLY  57           HA2      GLY  57  -2.233   8.168   8.168
  377   2HA   GLY  57           HA1      GLY  57  -3.083   8.032   8.032
  378    H    ILE  58           HN       ILE  58  -3.622   6.160   6.160
  379    HA   ILE  58           HA       ILE  58  -2.563   3.678   3.678
  380    HB   ILE  58           HB       ILE  58  -1.588   3.224   3.224
  381   1HG1  ILE  58          HG12      ILE  58  -1.523   6.279   6.279
  382   2HG1  ILE  58          HG11      ILE  58  -2.807   5.253   5.253
  383   1HG2  ILE  58          HG23      ILE  58  -0.182   3.966   3.966
  384   2HG2  ILE  58          HG22      ILE  58  -0.068   5.578   5.578
  385   3HG2  ILE  58          HG21      ILE  58   0.602   4.123   4.123
  386   1HD1  ILE  58          HD11      ILE  58  -1.110   3.875   3.875
  387   2HD1  ILE  58          HD13      ILE  58   0.209   4.915   4.915
  388   3HD1  ILE  58          HD12      ILE  58  -1.029   5.616   5.616
  389    H    ILE  59           HN       ILE  59  -3.330   2.596   2.596
  390    HA   ILE  59           HA       ILE  59  -6.154   2.950   2.950
  391    HB   ILE  59           HB       ILE  59  -4.638   1.438   1.438
  392   1HG1  ILE  59          HG12      ILE  59  -6.187  -0.384  -0.384
  393   2HG1  ILE  59          HG11      ILE  59  -5.870   0.764   0.764
  394   1HG2  ILE  59          HG23      ILE  59  -7.650   1.833   1.833
  395   2HG2  ILE  59          HG22      ILE  59  -6.971   0.582   0.582
  396   3HG2  ILE  59          HG21      ILE  59  -6.755   2.324   2.324
  397   1HD1  ILE  59          HD11      ILE  59  -3.325   0.497   0.497
  398   2HD1  ILE  59          HD13      ILE  59  -3.889  -0.858  -0.858
  399   3HD1  ILE  59          HD12      ILE  59  -4.118  -0.944  -0.944
  400    H    VAL  60           HN       VAL  60  -7.278   4.537   4.537
  401    HA   VAL  60           HA       VAL  60  -6.027   6.262   6.262
  402    HB   VAL  60           HB       VAL  60  -5.411   6.413   6.413
  403   1HG1  VAL  60          HG12      VAL  60  -7.682   7.127   7.127
  404   2HG1  VAL  60          HG11      VAL  60  -7.427   8.696   8.696
  405   3HG1  VAL  60          HG13      VAL  60  -6.344   8.219   8.219
  406   1HG2  VAL  60          HG23      VAL  60  -4.097   7.241   7.241
  407   2HG2  VAL  60          HG22      VAL  60  -4.292   8.502   8.502
  408   3HG2  VAL  60          HG21      VAL  60  -5.224   8.631   8.631
  409    H    GLU  61           HN       GLU  61  -7.589   8.425   8.425
  410    HA   GLU  61           HA       GLU  61  -9.454   9.406   9.406
  411   1HB   GLU  61           HB2      GLU  61  -9.897   8.294   8.294
  412   2HB   GLU  61           HB1      GLU  61 -10.834   7.054   7.054
  413   1HG   GLU  61           HG2      GLU  61 -12.470   8.794   8.794
  414   2HG   GLU  61           HG1      GLU  61 -11.411  10.093  10.093
  415    H    GLY  62           HN       GLY  62 -10.043   5.953   5.953
  416   1HA   GLY  62           HA2      GLY  62 -10.583   5.254   5.254
  417   2HA   GLY  62           HA1      GLY  62 -11.415   6.834   6.834
  418    H    GLU  63           HN       GLU  63 -12.126   6.367   6.367
  419    HA   GLU  63           HA       GLU  63 -14.424   4.585   4.585
  420   1HB   GLU  63           HB2      GLU  63 -14.603   7.159   7.159
  421   2HB   GLU  63           HB1      GLU  63 -14.203   6.387   6.387
  422   1HG   GLU  63           HG2      GLU  63 -16.190   4.768   4.768
  423   2HG   GLU  63           HG1      GLU  63 -16.584   5.727   5.727
  424    H    LYS  64           HN       LYS  64 -14.646   4.120   4.120
  425    HA   LYS  64           HA       LYS  64 -12.287   2.378   2.378
  426   1HB   LYS  64           HB2      LYS  64 -14.694   1.464   1.464
  427   2HB   LYS  64           HB1      LYS  64 -15.033   1.791   1.791
  428   1HG   LYS  64           HG2      LYS  64 -13.042   0.223   0.223
  429   2HG   LYS  64           HG1      LYS  64 -12.805  -0.015  -0.015
  430   1HD   LYS  64           HD2      LYS  64 -14.859  -1.227  -1.227
  431   2HD   LYS  64           HD1      LYS  64 -15.513  -0.602  -0.602
  432   1HE   LYS  64           HE2      LYS  64 -14.867  -2.992  -2.992
  433   2HE   LYS  64           HE1      LYS  64 -13.881  -1.926  -1.926
  434   1HZ   LYS  64           HZ3      LYS  64 -12.127  -2.005  -2.005
  435   2HZ   LYS  64           HZ2      LYS  64 -13.043  -3.129  -3.129
  436   3HZ   LYS  64           HZ1      LYS  64 -12.507  -3.515  -3.515
  437    H    CYS  65           HN       CYS  65 -13.442   1.710   1.710
  438    HA   CYS  65           HA       CYS  65 -11.668   3.519   3.519
  439   1HB   CYS  65           HB2      CYS  65 -11.653   1.023   1.023
  440   2HB   CYS  65           HB1      CYS  65 -13.247   1.166   1.166
  441    H    HIS  66           HN       HIS  66 -12.187   4.692   4.692
  442    HA   HIS  66           HA       HIS  66 -15.030   5.102   5.102
  443   1HB   HIS  66           HB2      HIS  66 -14.564   7.641   7.641
  444   2HB   HIS  66           HB1      HIS  66 -14.655   6.988   6.988
  445    HD1  HIS  66           HD1      HIS  66 -12.082   8.305   8.305
  446    HD2  HIS  66           HD2      HIS  66 -12.392   7.177   7.177
  447    HE1  HIS  66           HE1      HIS  66  -9.958   9.062   9.062
  448    HE2  HIS  66           HE2      HIS  66 -10.196   8.379   8.379
  449    H    SER  67           HN       SER  67 -14.846   6.692   6.692
  450    HA   SER  67           HA       SER  67 -12.560   6.415   6.415
  451   1HB   SER  67           HB2      SER  67 -14.889   4.398   4.398
  452   2HB   SER  67           HB1      SER  67 -13.726   4.873   4.873
  453    HG   SER  67           HG       SER  67 -12.780   3.963   3.963
  454   1HN   NH2  68           H1       NH2  68 -13.682   7.297   7.297
  455   2HN   NH2  68           H2       NH2  68 -15.016   8.371   8.371

  Start of MODEL   17
    1   1H    VAL   1           HT3      VAL   1   6.200  12.187  12.187
    2   2H    VAL   1           HT2      VAL   1   7.587  11.436  11.436
    3   3H    VAL   1           HT1      VAL   1   7.666  12.250  12.250
    4    HA   VAL   1           HA       VAL   1   6.312  10.704  10.704
    5    HB   VAL   1           HB       VAL   1   7.573   8.555   8.555
    6   1HG1  VAL   1          HG12      VAL   1   8.495  10.432  10.432
    7   2HG1  VAL   1          HG11      VAL   1   9.385  11.059  11.059
    8   3HG1  VAL   1          HG13      VAL   1   9.787   9.441   9.441
    9   1HG2  VAL   1          HG23      VAL   1   7.802   8.508   8.508
   10   2HG2  VAL   1          HG22      VAL   1   9.404   8.386   8.386
   11   3HG2  VAL   1          HG21      VAL   1   8.894   9.941   9.941
   12    H    ARG   2           HN       ARG   2   5.244   8.481   8.481
   13    HA   ARG   2           HA       ARG   2   3.776   8.109   8.109
   14   1HB   ARG   2           HB2      ARG   2   3.311   6.661   6.661
   15   2HB   ARG   2           HB1      ARG   2   2.378   6.455   6.455
   16   1HG   ARG   2           HG2      ARG   2   0.935   7.666   7.666
   17   2HG   ARG   2           HG1      ARG   2   1.727   9.008   9.008
   18   1HD   ARG   2           HD2      ARG   2   2.889   9.737   9.737
   19   2HD   ARG   2           HD1      ARG   2   2.680   8.124   8.124
   20    HE   ARG   2           HE       ARG   2   0.572   8.743   8.743
   21   1HH1  ARG   2          HH21      ARG   2   1.494  11.055  11.055
   22   2HH1  ARG   2          HH22      ARG   2   0.185  12.135  12.135
   23   1HH2  ARG   2          HH11      ARG   2  -1.157  10.183  10.183
   24   2HH2  ARG   2          HH12      ARG   2  -1.339  11.641  11.641
   25    H    ASP   3           HN       ASP   3   3.836   5.837   5.837
   26    HA   ASP   3           HA       ASP   3   5.357   3.967   3.967
   27   1HB   ASP   3           HB2      ASP   3   5.094   3.780   3.780
   28   2HB   ASP   3           HB1      ASP   3   5.928   2.640   2.640
   29    H    GLY   4           HN       GLY   4   3.565   2.453   2.453
   30   1HA   GLY   4           HA2      GLY   4   1.311   2.437   2.437
   31   2HA   GLY   4           HA1      GLY   4   1.094   3.428   3.428
   32    H    TYR   5           HN       TYR   5  -0.491   1.256   1.256
   33    HA   TYR   5           HA       TYR   5   0.885  -0.896  -0.896
   34   1HB   TYR   5           HB2      TYR   5  -2.114  -0.244  -0.244
   35   2HB   TYR   5           HB1      TYR   5  -1.493  -1.691  -1.691
   36    HD1  TYR   5           HD2      TYR   5  -0.032  -3.326  -3.326
   37    HD2  TYR   5           HD1      TYR   5  -2.173  -0.266  -0.266
   38    HE1  TYR   5           HE2      TYR   5   0.263  -4.584  -4.584
   39    HE2  TYR   5           HE1      TYR   5  -1.932  -1.529  -1.529
   40    HH   TYR   5           HH       TYR   5  -1.270  -3.534  -3.534
   41    H    ILE   6           HN       ILE   6   0.958  -0.966  -0.966
   42    HA   ILE   6           HA       ILE   6   0.298   1.624   1.624
   43    HB   ILE   6           HB       ILE   6   2.614   0.999   0.999
   44   1HG1  ILE   6          HG12      ILE   6   0.949   1.054   1.054
   45   2HG1  ILE   6          HG11      ILE   6   1.421   2.474   2.474
   46   1HG2  ILE   6          HG23      ILE   6   2.295  -1.489  -1.489
   47   2HG2  ILE   6          HG22      ILE   6   1.545  -1.329  -1.329
   48   3HG2  ILE   6          HG21      ILE   6   3.263  -0.883  -0.883
   49   1HD1  ILE   6          HD11      ILE   6   3.843   2.003   2.003
   50   2HD1  ILE   6          HD13      ILE   6   3.340   0.596   0.596
   51   3HD1  ILE   6          HD12      ILE   6   2.854   2.272   2.272
   52    H    ALA   7           HN       ALA   7  -0.858   1.653   1.653
   53    HA   ALA   7           HA       ALA   7  -2.730  -0.492  -0.492
   54   1HB   ALA   7           HB2      ALA   7  -3.691   1.336   1.336
   55   2HB   ALA   7           HB1      ALA   7  -3.454   2.515   2.515
   56   3HB   ALA   7           HB3      ALA   7  -4.611   1.175   1.175
   57    H    GLN   8           HN       GLN   8  -4.331   0.718   0.718
   58    HA   GLN   8           HA       GLN   8  -2.768   1.891   1.891
   59   1HB   GLN   8           HB2      GLN   8  -5.663   0.802   0.802
   60   2HB   GLN   8           HB1      GLN   8  -4.893   1.491   1.491
   61   1HG   GLN   8           HG2      GLN   8  -3.341  -0.336  -0.336
   62   2HG   GLN   8           HG1      GLN   8  -3.681  -0.945  -0.945
   63   1HE2  GLN   8          HE22      GLN   8  -6.671  -2.692  -2.692
   64   2HE2  GLN   8          HE21      GLN   8  -5.726  -2.030  -2.030
   65    HA   PRO   9           HA       PRO   9  -3.723   5.350   5.350
   66   1HB   PRO   9           HB2      PRO   9  -4.783   6.781   6.781
   67   2HB   PRO   9           HB1      PRO   9  -3.541   7.383   7.383
   68   1HG   PRO   9           HG1      PRO   9  -2.745   6.253   6.253
   69   2HG   PRO   9           HG2      PRO   9  -1.905   5.776   5.776
   70   1HD   PRO   9           HD1      PRO   9  -4.069   4.233   4.233
   71   2HD   PRO   9           HD2      PRO   9  -2.562   3.642   3.642
   72    H    GLU  10           HN       GLU  10  -6.719   4.611   4.611
   73    HA   GLU  10           HA       GLU  10  -8.113   6.761   6.761
   74   1HB   GLU  10           HB2      GLU  10  -9.223   4.601   4.601
   75   2HB   GLU  10           HB1      GLU  10 -10.019   6.118   6.118
   76   1HG   GLU  10           HG2      GLU  10  -7.415   5.946   5.946
   77   2HG   GLU  10           HG1      GLU  10  -9.066   6.240   6.240
   78    H    ASN  11           HN       ASN  11  -7.206   5.287   5.287
   79    HA   ASN  11           HA       ASN  11  -7.913   4.716   4.716
   80   1HB   ASN  11           HB2      ASN  11 -10.044   6.099   6.099
   81   2HB   ASN  11           HB1      ASN  11 -10.833   4.514   4.514
   82   1HD2  ASN  11          HD21      ASN  11  -9.685   6.299   6.299
   83   2HD2  ASN  11          HD22      ASN  11  -9.554   7.057   7.057
   84    H    CYS  12           HN       CYS  12  -6.912   2.696   2.696
   85    HA   CYS  12           HA       CYS  12  -8.841   0.462   0.462
   86   1HB   CYS  12           HB2      CYS  12  -6.652   0.747   0.747
   87   2HB   CYS  12           HB1      CYS  12  -7.883  -0.560  -0.560
   88    H    VAL  13           HN       VAL  13  -6.720  -1.473  -1.473
   89    HA   VAL  13           HA       VAL  13  -4.619  -1.191  -1.191
   90    HB   VAL  13           HB       VAL  13  -4.701  -3.748  -3.748
   91   1HG1  VAL  13          HG12      VAL  13  -6.582  -1.822  -1.822
   92   2HG1  VAL  13          HG11      VAL  13  -6.277  -3.525  -3.525
   93   3HG1  VAL  13          HG13      VAL  13  -4.929  -2.354  -2.354
   94   1HG2  VAL  13          HG21      VAL  13  -6.531  -4.224  -4.224
   95   2HG2  VAL  13          HG23      VAL  13  -6.861  -4.849  -4.849
   96   3HG2  VAL  13          HG22      VAL  13  -7.706  -3.357  -3.357
   97    H    TYR  14           HN       TYR  14  -3.125  -3.230  -3.230
   98    HA   TYR  14           HA       TYR  14  -3.488  -3.402  -3.402
   99   1HB   TYR  14           HB2      TYR  14  -0.991  -2.680  -2.680
  100   2HB   TYR  14           HB1      TYR  14  -0.775  -4.062  -4.062
  101    HD1  TYR  14           HD1      TYR  14  -2.037  -3.443  -3.443
  102    HD2  TYR  14           HD2      TYR  14   0.183  -0.925  -0.925
  103    HE1  TYR  14           HE1      TYR  14  -1.439  -1.960  -1.960
  104    HE2  TYR  14           HE2      TYR  14   0.768   0.557   0.557
  105    HH   TYR  14           HH       TYR  14   0.550   0.980   0.980
  106    H    HIS  15           HN       HIS  15  -3.199  -5.823  -5.823
  107    HA   HIS  15           HA       HIS  15  -3.230  -7.157  -7.157
  108   1HB   HIS  15           HB2      HIS  15  -4.033  -8.083  -8.083
  109   2HB   HIS  15           HB1      HIS  15  -3.690  -9.235  -9.235
  110    HD1  HIS  15           HD1      HIS  15  -5.863  -6.074  -6.074
  111    HD2  HIS  15           HD2      HIS  15  -5.924  -9.925  -9.925
  112    HE1  HIS  15           HE1      HIS  15  -8.071  -6.334  -6.334
  113    HE2  HIS  15           HE2      HIS  15  -8.062  -8.665  -8.665
  114    H    CYS  16           HN       CYS  16  -1.539  -8.673  -8.673
  115    HA   CYS  16           HA       CYS  16   0.877  -7.969  -7.969
  116   1HB   CYS  16           HB2      CYS  16   0.566  -8.188  -8.188
  117   2HB   CYS  16           HB1      CYS  16   0.655  -9.945  -9.945
  118    H    PHE  17           HN       PHE  17   2.425  -9.880  -9.880
  119    HA   PHE  17           HA       PHE  17   0.987 -12.299 -12.299
  120   1HB   PHE  17           HB2      PHE  17   3.689 -11.172 -11.172
  121   2HB   PHE  17           HB1      PHE  17   2.861 -12.672 -12.672
  122    HD1  PHE  17           HD1      PHE  17   2.799  -8.944  -8.944
  123    HD2  PHE  17           HD2      PHE  17   0.923 -12.522 -12.522
  124    HE1  PHE  17           HE1      PHE  17   1.598  -7.612  -7.612
  125    HE2  PHE  17           HE2      PHE  17  -0.266 -11.188 -11.188
  126    HZ   PHE  17           HZ       PHE  17   0.059  -8.729  -8.729
  127    HA   PRO  18           HA       PRO  18   3.539 -12.806 -12.806
  128   1HB   PRO  18           HB2      PRO  18   2.668 -15.694 -15.694
  129   2HB   PRO  18           HB1      PRO  18   2.936 -14.987 -14.987
  130   1HG   PRO  18           HG1      PRO  18   0.404 -15.100 -15.100
  131   2HG   PRO  18           HG2      PRO  18   0.961 -13.568 -13.568
  132   1HD   PRO  18           HD1      PRO  18   0.620 -14.118 -14.118
  133   2HD   PRO  18           HD2      PRO  18   0.456 -12.570 -12.570
  134    H    GLY  19           HN       GLY  19   5.751 -13.064 -13.064
  135   1HA   GLY  19           HA2      GLY  19   7.760 -14.106 -14.106
  136   2HA   GLY  19           HA1      GLY  19   6.944 -13.754 -13.754
  137    H    SER  20           HN       SER  20   5.625 -11.528 -11.528
  138    HA   SER  20           HA       SER  20   5.466  -9.469  -9.469
  139   1HB   SER  20           HB2      SER  20   8.463  -9.221  -9.221
  140   2HB   SER  20           HB1      SER  20   7.208  -7.955  -7.955
  141    HG   SER  20           HG       SER  20   7.541 -10.462 -10.462
  142    H    SER  21           HN       SER  21   7.177 -10.958 -10.958
  143    HA   SER  21           HA       SER  21   8.794  -9.394  -9.394
  144   1HB   SER  21           HB2      SER  21   6.695 -10.883 -10.883
  145   2HB   SER  21           HB1      SER  21   8.480 -10.775 -10.775
  146    HG   SER  21           HG       SER  21   7.854 -12.771 -12.771
  147    H    GLY  22           HN       GLY  22   5.279  -9.185  -9.185
  148   1HA   GLY  22           HA2      GLY  22   5.721  -7.104  -7.104
  149   2HA   GLY  22           HA1      GLY  22   4.152  -7.671  -7.671
  150    H    CYS  23           HN       CYS  23   4.552  -7.117  -7.117
  151    HA   CYS  23           HA       CYS  23   3.941  -4.337  -4.337
  152   1HB   CYS  23           HB2      CYS  23   3.852  -6.363  -6.363
  153   2HB   CYS  23           HB1      CYS  23   3.892  -4.620  -4.620
  154    H    ASP  24           HN       ASP  24   6.790  -6.179  -6.179
  155    HA   ASP  24           HA       ASP  24   8.035  -3.914  -3.914
  156   1HB   ASP  24           HB2      ASP  24   8.734  -6.393  -6.393
  157   2HB   ASP  24           HB1      ASP  24   9.480  -6.267  -6.267
  158    H    THR  25           HN       THR  25   7.832  -5.206  -5.206
  159    HA   THR  25           HA       THR  25   9.662  -3.363  -3.363
  160    HB   THR  25           HB       THR  25   7.254  -4.657  -4.657
  161    HG1  THR  25           HG1      THR  25   8.530  -6.306  -6.306
  162   1HG2  THR  25          HG23      THR  25   9.941  -3.548  -3.548
  163   2HG2  THR  25          HG22      THR  25   8.691  -4.403  -4.403
  164   3HG2  THR  25          HG21      THR  25   8.320  -2.806  -2.806
  165    H    LEU  26           HN       LEU  26   6.073  -3.296  -3.296
  166    HA   LEU  26           HA       LEU  26   5.644  -0.812  -0.812
  167   1HB   LEU  26           HB2      LEU  26   4.144  -2.235  -2.235
  168   2HB   LEU  26           HB1      LEU  26   3.540  -0.728  -0.728
  169    HG   LEU  26           HG       LEU  26   4.185  -3.208  -3.208
  170   1HD1  LEU  26          HD13      LEU  26   1.516  -2.552  -2.552
  171   2HD1  LEU  26          HD12      LEU  26   1.741  -3.772  -3.772
  172   3HD1  LEU  26          HD11      LEU  26   2.560  -3.984  -3.984
  173   1HD2  LEU  26          HD22      LEU  26   3.972  -1.057  -1.057
  174   2HD2  LEU  26          HD21      LEU  26   2.602  -2.160  -2.160
  175   3HD2  LEU  26          HD23      LEU  26   2.361  -0.768  -0.768
  176    H    CYS  27           HN       CYS  27   6.371  -1.712  -1.712
  177    HA   CYS  27           HA       CYS  27   6.304   0.774   0.774
  178   1HB   CYS  27           HB2      CYS  27   6.703  -1.546  -1.546
  179   2HB   CYS  27           HB1      CYS  27   8.438  -1.304  -1.304
  180    H    LYS  28           HN       LYS  28   9.048  -0.752  -0.752
  181    HA   LYS  28           HA       LYS  28  10.884   1.283   1.283
  182   1HB   LYS  28           HB2      LYS  28  10.741  -0.498  -0.498
  183   2HB   LYS  28           HB1      LYS  28  12.120   0.592   0.592
  184   1HG   LYS  28           HG2      LYS  28  12.590  -0.673  -0.673
  185   2HG   LYS  28           HG1      LYS  28  11.206  -1.753  -1.753
  186   1HD   LYS  28           HD2      LYS  28  12.318  -2.398  -2.398
  187   2HD   LYS  28           HD1      LYS  28  13.735  -1.415  -1.415
  188   1HE   LYS  28           HE2      LYS  28  14.200  -3.779  -3.779
  189   2HE   LYS  28           HE1      LYS  28  13.982  -2.907  -2.907
  190   1HZ   LYS  28           HZ3      LYS  28  11.675  -3.717  -3.717
  191   2HZ   LYS  28           HZ2      LYS  28  11.991  -4.612  -4.612
  192   3HZ   LYS  28           HZ1      LYS  28  12.830  -4.963  -4.963
  193    H    GLU  29           HN       GLU  29   8.566   0.941   0.941
  194    HA   GLU  29           HA       GLU  29   9.673   3.227   3.227
  195   1HB   GLU  29           HB2      GLU  29   7.890   2.957   2.957
  196   2HB   GLU  29           HB1      GLU  29   8.803   1.443   1.443
  197   1HG   GLU  29           HG2      GLU  29   6.929   0.685   0.685
  198   2HG   GLU  29           HG1      GLU  29   5.976   2.138   2.138
  199    H    LYS  30           HN       LYS  30   6.895   2.687   2.687
  200    HA   LYS  30           HA       LYS  30   5.946   5.376   5.376
  201   1HB   LYS  30           HB2      LYS  30   5.101   3.278   3.278
  202   2HB   LYS  30           HB1      LYS  30   4.351   4.906   4.906
  203   1HG   LYS  30           HG2      LYS  30   3.790   4.385   4.385
  204   2HG   LYS  30           HG1      LYS  30   4.529   2.761   2.761
  205   1HD   LYS  30           HD2      LYS  30   2.114   2.607   2.607
  206   2HD   LYS  30           HD1      LYS  30   2.802   2.099   2.099
  207   1HE   LYS  30           HE2      LYS  30   2.109   4.236   4.236
  208   2HE   LYS  30           HE1      LYS  30   1.607   4.910   4.910
  209   1HZ   LYS  30           HZ3      LYS  30   0.373   2.579   2.579
  210   2HZ   LYS  30           HZ2      LYS  30  -0.245   4.156   4.156
  211   3HZ   LYS  30           HZ1      LYS  30  -0.091   3.230   3.230
  212    H    GLY  31           HN       GLY  31   8.220   3.763   3.763
  213   1HA   GLY  31           HA2      GLY  31  10.055   5.027   5.027
  214   2HA   GLY  31           HA1      GLY  31   9.048   6.505   6.505
  215    H    GLY  32           HN       GLY  32   8.818   3.164   3.164
  216   1HA   GLY  32           HA2      GLY  32   9.146   4.360   4.360
  217   2HA   GLY  32           HA1      GLY  32   8.354   2.796   2.796
  218    H    THR  33           HN       THR  33  10.586   3.132   3.132
  219    HA   THR  33           HA       THR  33  12.994   2.658   2.658
  220    HB   THR  33           HB       THR  33  14.063   2.886   2.886
  221    HG1  THR  33           HG1      THR  33  12.470   2.233   2.233
  222   1HG2  THR  33          HG23      THR  33  13.663   4.856   4.856
  223   2HG2  THR  33          HG22      THR  33  12.042   5.114   5.114
  224   3HG2  THR  33          HG21      THR  33  13.524   5.316   5.316
  225    H    SER  34           HN       SER  34  10.532   0.788   0.788
  226    HA   SER  34           HA       SER  34  11.881  -1.593  -1.593
  227   1HB   SER  34           HB2      SER  34  11.157  -1.039  -1.039
  228   2HB   SER  34           HB1      SER  34  11.955  -2.512  -2.512
  229    HG   SER  34           HG       SER  34  13.507  -0.574  -0.574
  230    H    GLY  35           HN       GLY  35   9.932  -3.323  -3.323
  231   1HA   GLY  35           HA2      GLY  35   7.577  -2.417  -2.417
  232   2HA   GLY  35           HA1      GLY  35   7.653  -2.197  -2.197
  233    H    HIS  36           HN       HIS  36   5.961  -4.217  -4.217
  234    HA   HIS  36           HA       HIS  36   6.931  -6.471  -6.471
  235   1HB   HIS  36           HB2      HIS  36   7.009  -8.014  -8.014
  236   2HB   HIS  36           HB1      HIS  36   8.443  -7.005  -7.005
  237    HD1  HIS  36           HD1      HIS  36   9.118  -7.144  -7.144
  238    HD2  HIS  36           HD2      HIS  36   5.423  -5.260  -5.260
  239    HE1  HIS  36           HE1      HIS  36   8.500  -6.014  -6.014
  240    HE2  HIS  36           HE2      HIS  36   6.265  -4.881  -4.881
  241    H    CYS  37           HN       CYS  37   5.145  -8.164  -8.164
  242    HA   CYS  37           HA       CYS  37   2.679  -7.059  -7.059
  243   1HB   CYS  37           HB2      CYS  37   3.167  -9.503  -9.503
  244   2HB   CYS  37           HB1      CYS  37   1.645  -9.127  -9.127
  245    H    GLY  38           HN       GLY  38   0.637  -7.410  -7.410
  246   1HA   GLY  38           HA2      GLY  38   1.263  -6.721  -6.721
  247   2HA   GLY  38           HA1      GLY  38   0.629  -5.332  -5.332
  248    H    PHE  39           HN       PHE  39  -1.436  -6.054  -6.054
  249    HA   PHE  39           HA       PHE  39  -3.083  -7.698  -7.698
  250   1HB   PHE  39           HB2      PHE  39  -1.989  -9.297  -9.297
  251   2HB   PHE  39           HB1      PHE  39  -2.746  -8.235  -8.235
  252    HD1  PHE  39           HD2      PHE  39  -3.631 -10.053 -10.053
  253    HD2  PHE  39           HD1      PHE  39  -4.870  -8.970  -8.970
  254    HE1  PHE  39           HE2      PHE  39  -5.738 -11.290 -11.290
  255    HE2  PHE  39           HE1      PHE  39  -6.963 -10.243 -10.243
  256    HZ   PHE  39           HZ       PHE  39  -7.410 -11.405 -11.405
  257    H    LYS  40           HN       LYS  40  -5.376  -7.058  -7.058
  258    HA   LYS  40           HA       LYS  40  -5.495  -5.063  -5.063
  259   1HB   LYS  40           HB2      LYS  40  -6.271  -4.546  -4.546
  260   2HB   LYS  40           HB1      LYS  40  -7.216  -3.805  -3.805
  261   1HG   LYS  40           HG2      LYS  40  -4.217  -3.346  -3.346
  262   2HG   LYS  40           HG1      LYS  40  -5.556  -2.266  -2.266
  263   1HD   LYS  40           HD2      LYS  40  -4.619  -2.920  -2.920
  264   2HD   LYS  40           HD1      LYS  40  -4.475  -1.364  -1.364
  265   1HE   LYS  40           HE2      LYS  40  -7.102  -2.658  -2.658
  266   2HE   LYS  40           HE1      LYS  40  -6.276  -1.195  -1.195
  267   1HZ   LYS  40           HZ2      LYS  40  -7.391  -1.458  -1.458
  268   2HZ   LYS  40           HZ1      LYS  40  -8.143  -0.685  -0.685
  269   3HZ   LYS  40           HZ3      LYS  40  -6.691  -0.069  -0.069
  270    H    VAL  41           HN       VAL  41  -8.128  -5.007  -5.007
  271    HA   VAL  41           HA       VAL  41  -9.311  -7.324  -7.324
  272    HB   VAL  41           HB       VAL  41 -10.250  -6.774  -6.774
  273   1HG1  VAL  41          HG11      VAL  41  -9.372  -9.340  -9.340
  274   2HG1  VAL  41          HG13      VAL  41 -10.287  -9.278  -9.278
  275   3HG1  VAL  41          HG12      VAL  41 -11.043  -8.656  -8.656
  276   1HG2  VAL  41          HG22      VAL  41  -7.414  -7.976  -7.976
  277   2HG2  VAL  41          HG21      VAL  41  -7.842  -6.431  -6.431
  278   3HG2  VAL  41          HG23      VAL  41  -8.416  -7.996  -7.996
  279    H    GLY  42           HN       GLY  42 -11.699  -6.511  -6.511
  280   1HA   GLY  42           HA2      GLY  42 -13.152  -4.708  -4.708
  281   2HA   GLY  42           HA1      GLY  42 -11.756  -3.560  -3.560
  282    H    HIS  43           HN       HIS  43 -10.005  -4.121  -4.121
  283    HA   HIS  43           HA       HIS  43 -11.358  -4.399  -4.399
  284   1HB   HIS  43           HB2      HIS  43  -8.473  -3.598  -3.598
  285   2HB   HIS  43           HB1      HIS  43  -9.043  -3.986  -3.986
  286    HD1  HIS  43           HD1      HIS  43  -8.279  -1.551  -1.551
  287    HD2  HIS  43           HD2      HIS  43 -11.597  -1.747  -1.747
  288    HE1  HIS  43           HE1      HIS  43  -9.337   0.741   0.741
  289    HE2  HIS  43           HE2      HIS  43 -11.337   0.589   0.589
  290    H    GLY  44           HN       GLY  44  -7.969  -5.697  -5.697
  291   1HA   GLY  44           HA2      GLY  44  -8.525  -8.125  -8.125
  292   2HA   GLY  44           HA1      GLY  44  -8.778  -8.161  -8.161
  293    H    LEU  45           HN       LEU  45  -6.694  -9.302  -9.302
  294    HA   LEU  45           HA       LEU  45  -4.270  -8.711  -8.711
  295   1HB   LEU  45           HB2      LEU  45  -4.866 -10.663 -10.663
  296   2HB   LEU  45           HB1      LEU  45  -5.147  -9.548  -9.548
  297    HG   LEU  45           HG       LEU  45  -2.689  -8.958  -8.958
  298   1HD1  LEU  45          HD13      LEU  45  -2.033  -9.653  -9.653
  299   2HD1  LEU  45          HD12      LEU  45  -2.419 -11.372 -11.372
  300   3HD1  LEU  45          HD11      LEU  45  -1.078 -10.525 -10.525
  301   1HD2  LEU  45          HD23      LEU  45  -3.709 -10.581 -10.581
  302   2HD2  LEU  45          HD22      LEU  45  -2.016 -11.035 -11.035
  303   3HD2  LEU  45          HD21      LEU  45  -3.394 -11.931 -11.931
  304    H    ALA  46           HN       ALA  46  -2.629  -7.155  -7.155
  305    HA   ALA  46           HA       ALA  46  -3.281  -4.989  -4.989
  306   1HB   ALA  46           HB1      ALA  46  -4.096  -4.379  -4.379
  307   2HB   ALA  46           HB3      ALA  46  -2.446  -4.671  -4.671
  308   3HB   ALA  46           HB2      ALA  46  -2.737  -3.335  -3.335
  309    H    CYS  47           HN       CYS  47  -0.899  -3.403  -3.403
  310    HA   CYS  47           HA       CYS  47   1.225  -5.409  -5.409
  311   1HB   CYS  47           HB2      CYS  47   0.878  -3.222  -3.222
  312   2HB   CYS  47           HB1      CYS  47   2.469  -3.980  -3.980
  313    H    TRP  48           HN       TRP  48   3.370  -3.837  -3.837
  314    HA   TRP  48           HA       TRP  48   2.478  -1.587  -1.587
  315   1HB   TRP  48           HB2      TRP  48   2.651  -3.431  -3.431
  316   2HB   TRP  48           HB1      TRP  48   4.161  -3.995  -3.995
  317    HD1  TRP  48           HD1      TRP  48   6.437  -2.671  -2.671
  318    HE1  TRP  48           HE1      TRP  48   7.139  -1.001  -1.001
  319    HE3  TRP  48           HE3      TRP  48   1.825  -1.794  -1.794
  320    HZ2  TRP  48           HZ2      TRP  48   5.806   0.540   0.540
  321    HZ3  TRP  48           HZ3      TRP  48   1.583  -0.257  -0.257
  322    HH2  TRP  48           HH2      TRP  48   3.556   0.917   0.917
  323    H    CYS  49           HN       CYS  49   4.240   0.002   0.002
  324    HA   CYS  49           HA       CYS  49   6.692  -0.511  -0.511
  325   1HB   CYS  49           HB2      CYS  49   4.824   1.810   1.810
  326   2HB   CYS  49           HB1      CYS  49   6.603   1.935   1.935
  327    H    ASN  50           HN       ASN  50   8.311   0.877   0.877
  328    HA   ASN  50           HA       ASN  50   7.384   2.497   2.497
  329   1HB   ASN  50           HB2      ASN  50  10.107   1.148   1.148
  330   2HB   ASN  50           HB1      ASN  50   9.942   2.529   2.529
  331   1HD2  ASN  50          HD22      ASN  50   8.575   0.635   0.635
  332   2HD2  ASN  50          HD21      ASN  50   8.938   2.222   2.222
  333    H    ALA  51           HN       ALA  51   7.958   4.633   4.633
  334    HA   ALA  51           HA       ALA  51   8.444   6.542   6.542
  335   1HB   ALA  51           HB1      ALA  51  10.738   5.923   5.923
  336   2HB   ALA  51           HB3      ALA  51  11.000   5.303   5.303
  337   3HB   ALA  51           HB2      ALA  51  10.722   7.063   7.063
  338    H    LEU  52           HN       LEU  52   6.532   6.134   6.134
  339    HA   LEU  52           HA       LEU  52   7.227   6.507   6.507
  340   1HB   LEU  52           HB2      LEU  52   4.553   6.054   6.054
  341   2HB   LEU  52           HB1      LEU  52   4.632   6.702   6.702
  342    HG   LEU  52           HG       LEU  52   5.894   4.036   4.036
  343   1HD1  LEU  52          HD13      LEU  52   3.451   3.946   3.946
  344   2HD1  LEU  52          HD12      LEU  52   3.108   4.601   4.601
  345   3HD1  LEU  52          HD11      LEU  52   3.846   2.973   2.973
  346   1HD2  LEU  52          HD22      LEU  52   6.712   5.125   5.125
  347   2HD2  LEU  52          HD21      LEU  52   5.952   3.511   3.511
  348   3HD2  LEU  52          HD23      LEU  52   5.052   5.013   5.013
  349    HA   PRO  53           HA       PRO  53   6.720  10.731  10.731
  350   1HB   PRO  53           HB2      PRO  53   6.460  11.292  11.292
  351   2HB   PRO  53           HB1      PRO  53   7.482  12.177  12.177
  352   1HG   PRO  53           HG1      PRO  53   8.613  10.381  10.381
  353   2HG   PRO  53           HG2      PRO  53   9.069  10.313  10.313
  354   1HD   PRO  53           HD1      PRO  53   6.996   8.544   8.544
  355   2HD   PRO  53           HD2      PRO  53   8.323   8.078   8.078
  356    H    ASP  54           HN       ASP  54   5.198  12.722  12.722
  357    HA   ASP  54           HA       ASP  54   2.707  11.707  11.707
  358   1HB   ASP  54           HB2      ASP  54   3.537  14.564  14.564
  359   2HB   ASP  54           HB1      ASP  54   2.037  14.112  14.112
  360    H    ASN  55           HN       ASN  55   3.924  12.217  12.217
  361    HA   ASN  55           HA       ASN  55   1.397  13.097  13.097
  362   1HB   ASN  55           HB2      ASN  55   2.520  12.923  12.923
  363   2HB   ASN  55           HB1      ASN  55   3.450  13.949  13.949
  364   1HD2  ASN  55          HD21      ASN  55   5.208  10.583  10.583
  365   2HD2  ASN  55          HD22      ASN  55   3.622  11.099  11.099
  366    H    VAL  56           HN       VAL  56   2.597  10.125  10.125
  367    HA   VAL  56           HA       VAL  56   1.499   8.607   8.607
  368    HB   VAL  56           HB       VAL  56   2.738   7.425   7.425
  369   1HG1  VAL  56          HG13      VAL  56   2.421   6.493   6.493
  370   2HG1  VAL  56          HG12      VAL  56   3.186   5.549   5.549
  371   3HG1  VAL  56          HG11      VAL  56   1.435   5.934   5.934
  372   1HG2  VAL  56          HG23      VAL  56   4.213   8.503   8.503
  373   2HG2  VAL  56          HG22      VAL  56   4.402   9.095   9.095
  374   3HG2  VAL  56          HG21      VAL  56   4.936   7.451   7.451
  375    H    GLY  57           HN       GLY  57  -0.613   7.703   7.703
  376   1HA   GLY  57           HA2      GLY  57  -1.923   8.194   8.194
  377   2HA   GLY  57           HA1      GLY  57  -2.720   7.897   7.897
  378    H    ILE  58           HN       ILE  58  -2.872   6.394   6.394
  379    HA   ILE  58           HA       ILE  58  -1.907   3.787   3.787
  380    HB   ILE  58           HB       ILE  58  -0.884   3.465   3.465
  381   1HG1  ILE  58          HG12      ILE  58  -0.926   6.529   6.529
  382   2HG1  ILE  58          HG11      ILE  58  -2.148   5.471   5.471
  383   1HG2  ILE  58          HG21      ILE  58   0.426   4.110   4.110
  384   2HG2  ILE  58          HG23      ILE  58   0.441   5.804   5.804
  385   3HG2  ILE  58          HG22      ILE  58   1.224   4.507   4.507
  386   1HD1  ILE  58          HD11      ILE  58  -0.294   4.128   4.128
  387   2HD1  ILE  58          HD13      ILE  58   0.898   5.322   5.322
  388   3HD1  ILE  58          HD12      ILE  58  -0.363   5.847   5.847
  389    H    ILE  59           HN       ILE  59  -2.626   2.830   2.830
  390    HA   ILE  59           HA       ILE  59  -5.489   2.801   2.801
  391    HB   ILE  59           HB       ILE  59  -3.549   1.927   1.927
  392   1HG1  ILE  59          HG12      ILE  59  -4.752  -0.262  -0.262
  393   2HG1  ILE  59          HG11      ILE  59  -5.763   0.412   0.412
  394   1HG2  ILE  59          HG22      ILE  59  -6.635   2.082   2.082
  395   2HG2  ILE  59          HG21      ILE  59  -5.561   1.183   1.183
  396   3HG2  ILE  59          HG23      ILE  59  -5.440   2.960   2.960
  397   1HD1  ILE  59          HD11      ILE  59  -2.865   0.681   0.681
  398   2HD1  ILE  59          HD13      ILE  59  -3.336  -1.016  -1.016
  399   3HD1  ILE  59          HD12      ILE  59  -4.210  -0.092  -0.092
  400    H    VAL  60           HN       VAL  60  -6.834   4.502   4.502
  401    HA   VAL  60           HA       VAL  60  -5.712   6.616   6.616
  402    HB   VAL  60           HB       VAL  60  -6.572   6.612   6.612
  403   1HG1  VAL  60          HG13      VAL  60  -6.891   9.054   9.054
  404   2HG1  VAL  60          HG12      VAL  60  -6.982   9.069   9.069
  405   3HG1  VAL  60          HG11      VAL  60  -8.216   8.174   8.174
  406   1HG2  VAL  60          HG22      VAL  60  -4.129   6.691   6.691
  407   2HG2  VAL  60          HG21      VAL  60  -4.653   8.190   8.190
  408   3HG2  VAL  60          HG23      VAL  60  -4.412   8.206   8.206
  409    H    GLU  61           HN       GLU  61  -7.567   7.512   7.512
  410    HA   GLU  61           HA       GLU  61  -9.382   7.652   7.652
  411   1HB   GLU  61           HB2      GLU  61 -10.120   8.346   8.346
  412   2HB   GLU  61           HB1      GLU  61 -10.831   6.725   6.725
  413   1HG   GLU  61           HG2      GLU  61 -12.569   8.347   8.347
  414   2HG   GLU  61           HG1      GLU  61 -12.336   7.199   7.199
  415    H    GLY  62           HN       GLY  62  -9.806   4.660   4.660
  416   1HA   GLY  62           HA2      GLY  62 -10.733   2.668   2.668
  417   2HA   GLY  62           HA1      GLY  62 -11.131   3.380   3.380
  418    H    GLU  63           HN       GLU  63 -11.766   4.104   4.104
  419    HA   GLU  63           HA       GLU  63 -14.500   4.886   4.886
  420   1HB   GLU  63           HB2      GLU  63 -13.110   6.654   6.654
  421   2HB   GLU  63           HB1      GLU  63 -12.791   5.534   5.534
  422   1HG   GLU  63           HG2      GLU  63 -15.330   5.523   5.523
  423   2HG   GLU  63           HG1      GLU  63 -15.495   6.795   6.795
  424    H    LYS  64           HN       LYS  64 -13.232   3.877   3.877
  425    HA   LYS  64           HA       LYS  64 -13.689   1.208   1.208
  426   1HB   LYS  64           HB2      LYS  64 -16.186   1.863   1.863
  427   2HB   LYS  64           HB1      LYS  64 -15.902   2.867   2.867
  428   1HG   LYS  64           HG2      LYS  64 -17.041   0.738   0.738
  429   2HG   LYS  64           HG1      LYS  64 -15.470   0.844   0.844
  430   1HD   LYS  64           HD2      LYS  64 -14.461  -0.656  -0.656
  431   2HD   LYS  64           HD1      LYS  64 -16.097  -0.776  -0.776
  432   1HE   LYS  64           HE2      LYS  64 -16.956  -1.833  -1.833
  433   2HE   LYS  64           HE1      LYS  64 -15.306  -1.686  -1.686
  434   1HZ   LYS  64           HZ1      LYS  64 -15.991  -3.238  -3.238
  435   2HZ   LYS  64           HZ3      LYS  64 -15.741  -3.867  -3.867
  436   3HZ   LYS  64           HZ2      LYS  64 -14.461  -3.120  -3.120
  437    H    CYS  65           HN       CYS  65 -13.281   0.592   0.592
  438    HA   CYS  65           HA       CYS  65 -11.352   2.453   2.453
  439   1HB   CYS  65           HB2      CYS  65 -10.787   0.002   0.002
  440   2HB   CYS  65           HB1      CYS  65 -12.224  -0.433  -0.433
  441    H    HIS  66           HN       HIS  66 -11.861   3.568   3.568
  442    HA   HIS  66           HA       HIS  66 -14.480   3.033   3.033
  443   1HB   HIS  66           HB2      HIS  66 -15.208   5.396   5.396
  444   2HB   HIS  66           HB1      HIS  66 -14.967   4.675   4.675
  445    HD1  HIS  66           HD1      HIS  66 -12.525   5.341   5.341
  446    HD2  HIS  66           HD2      HIS  66 -13.738   7.691   7.691
  447    HE1  HIS  66           HE1      HIS  66 -11.057   7.406   7.406
  448    HE2  HIS  66           HE2      HIS  66 -11.831   8.801   8.801
  449    H    SER  67           HN       SER  67 -14.540   4.295   4.295
  450    HA   SER  67           HA       SER  67 -11.959   4.315   4.315
  451   1HB   SER  67           HB2      SER  67 -14.588   5.330   5.330
  452   2HB   SER  67           HB1      SER  67 -13.143   4.670   4.670
  453    HG   SER  67           HG       SER  67 -14.812   3.135   3.135
  454   1HN   NH2  68           H1       NH2  68 -11.556   6.157   6.157
  455   2HN   NH2  68           H2       NH2  68 -11.502   7.780   7.780

  Start of MODEL   18
    1   1H    VAL   1           HT3      VAL   1   7.322  11.565  11.565
    2   2H    VAL   1           HT2      VAL   1   7.819  12.202  12.202
    3   3H    VAL   1           HT1      VAL   1   6.212  12.403  12.403
    4    HA   VAL   1           HA       VAL   1   6.257  10.759  10.759
    5    HB   VAL   1           HB       VAL   1   7.496   8.601   8.601
    6   1HG1  VAL   1          HG11      VAL   1   8.451  10.410  10.410
    7   2HG1  VAL   1          HG13      VAL   1   9.340  11.080  11.080
    8   3HG1  VAL   1          HG12      VAL   1   9.730   9.436   9.436
    9   1HG2  VAL   1          HG23      VAL   1   8.823  10.044  10.044
   10   2HG2  VAL   1          HG22      VAL   1   7.720   8.624   8.624
   11   3HG2  VAL   1          HG21      VAL   1   9.328   8.466   8.466
   12    H    ARG   2           HN       ARG   2   5.138   8.554   8.554
   13    HA   ARG   2           HA       ARG   2   3.764   8.291   8.291
   14   1HB   ARG   2           HB2      ARG   2   2.963   6.890   6.890
   15   2HB   ARG   2           HB1      ARG   2   2.092   6.885   6.885
   16   1HG   ARG   2           HG2      ARG   2   0.784   8.252   8.252
   17   2HG   ARG   2           HG1      ARG   2   1.808   9.495   9.495
   18   1HD   ARG   2           HD2      ARG   2   2.958   9.992   9.992
   19   2HD   ARG   2           HD1      ARG   2   2.583   8.359   8.359
   20    HE   ARG   2           HE       ARG   2   0.585   9.148   9.148
   21   1HH1  ARG   2          HH11      ARG   2   1.635  11.444  11.444
   22   2HH1  ARG   2          HH12      ARG   2   0.448  12.633  12.633
   23   1HH2  ARG   2          HH21      ARG   2  -0.924  10.791  10.791
   24   2HH2  ARG   2          HH22      ARG   2  -1.029  12.259  12.259
   25    H    ASP   3           HN       ASP   3   3.544   5.956   5.956
   26    HA   ASP   3           HA       ASP   3   5.003   4.039   4.039
   27   1HB   ASP   3           HB2      ASP   3   4.851   3.881   3.881
   28   2HB   ASP   3           HB1      ASP   3   5.653   2.729   2.729
   29    H    GLY   4           HN       GLY   4   3.232   2.481   2.481
   30   1HA   GLY   4           HA2      GLY   4   1.126   2.280   2.280
   31   2HA   GLY   4           HA1      GLY   4   0.700   3.295   3.295
   32    H    TYR   5           HN       TYR   5  -0.686   1.137   1.137
   33    HA   TYR   5           HA       TYR   5   0.880  -0.847  -0.847
   34   1HB   TYR   5           HB2      TYR   5  -2.116  -0.353  -0.353
   35   2HB   TYR   5           HB1      TYR   5  -1.577  -1.506  -1.506
   36    HD1  TYR   5           HD1      TYR   5  -0.034  -3.417  -3.417
   37    HD2  TYR   5           HD2      TYR   5  -2.231  -1.039  -1.039
   38    HE1  TYR   5           HE1      TYR   5   0.106  -5.241  -5.241
   39    HE2  TYR   5           HE2      TYR   5  -2.083  -2.866  -2.866
   40    HH   TYR   5           HH       TYR   5  -1.853  -5.732  -5.732
   41    H    ILE   6           HN       ILE   6   0.856  -0.746  -0.746
   42    HA   ILE   6           HA       ILE   6   0.098   1.919   1.919
   43    HB   ILE   6           HB       ILE   6   2.422   1.293   1.293
   44   1HG1  ILE   6          HG12      ILE   6   0.555   1.556   1.556
   45   2HG1  ILE   6          HG11      ILE   6   1.244   2.882   2.882
   46   1HG2  ILE   6          HG23      ILE   6   2.205  -1.133  -1.133
   47   2HG2  ILE   6          HG22      ILE   6   1.169  -0.999  -0.999
   48   3HG2  ILE   6          HG21      ILE   6   2.896  -0.520  -0.520
   49   1HD1  ILE   6          HD12      ILE   6   3.571   2.154   2.154
   50   2HD1  ILE   6          HD11      ILE   6   2.795   0.937   0.937
   51   3HD1  ILE   6          HD13      ILE   6   2.499   2.687   2.687
   52    H    ALA   7           HN       ALA   7  -1.284   2.094   2.094
   53    HA   ALA   7           HA       ALA   7  -3.067  -0.096  -0.096
   54   1HB   ALA   7           HB2      ALA   7  -3.776   1.830   1.830
   55   2HB   ALA   7           HB1      ALA   7  -4.122   2.770   2.770
   56   3HB   ALA   7           HB3      ALA   7  -4.962   1.203   1.203
   57    H    GLN   8           HN       GLN   8  -4.540   0.887   0.887
   58    HA   GLN   8           HA       GLN   8  -2.948   2.131   2.131
   59   1HB   GLN   8           HB2      GLN   8  -5.948   1.411   1.411
   60   2HB   GLN   8           HB1      GLN   8  -5.118   1.933   1.933
   61   1HG   GLN   8           HG2      GLN   8  -3.853  -0.149  -0.149
   62   2HG   GLN   8           HG1      GLN   8  -4.349  -0.625  -0.625
   63   1HE2  GLN   8          HE21      GLN   8  -7.195  -2.325  -2.325
   64   2HE2  GLN   8          HE22      GLN   8  -5.926  -2.202  -2.202
   65    HA   PRO   9           HA       PRO   9  -4.046   6.002   6.002
   66   1HB   PRO   9           HB2      PRO   9  -4.828   6.797   6.797
   67   2HB   PRO   9           HB1      PRO   9  -3.840   7.774   7.774
   68   1HG   PRO   9           HG1      PRO   9  -2.547   6.307   6.307
   69   2HG   PRO   9           HG2      PRO   9  -1.997   6.136   6.136
   70   1HD   PRO   9           HD1      PRO   9  -3.860   4.261   4.261
   71   2HD   PRO   9           HD2      PRO   9  -2.452   3.873   3.873
   72    H    GLU  10           HN       GLU  10  -6.770   4.310   4.310
   73    HA   GLU  10           HA       GLU  10  -8.590   6.556   6.556
   74   1HB   GLU  10           HB2      GLU  10  -9.135   3.684   3.684
   75   2HB   GLU  10           HB1      GLU  10 -10.258   5.081   5.081
   76   1HG   GLU  10           HG2      GLU  10  -7.600   4.746   4.746
   77   2HG   GLU  10           HG1      GLU  10  -9.258   4.495   4.495
   78    H    ASN  11           HN       ASN  11  -6.971   4.581   4.581
   79    HA   ASN  11           HA       ASN  11  -7.202   3.842   3.842
   80   1HB   ASN  11           HB2      ASN  11  -8.910   5.684   5.684
   81   2HB   ASN  11           HB1      ASN  11 -10.211   4.513   4.513
   82   1HD2  ASN  11          HD21      ASN  11 -10.015   4.140   4.140
   83   2HD2  ASN  11          HD22      ASN  11 -11.106   4.071   4.071
   84    H    CYS  12           HN       CYS  12  -6.908   1.938   1.938
   85    HA   CYS  12           HA       CYS  12  -8.909  -0.053  -0.053
   86   1HB   CYS  12           HB2      CYS  12  -7.911   0.197   0.197
   87   2HB   CYS  12           HB1      CYS  12  -9.110  -0.966  -0.966
   88    H    VAL  13           HN       VAL  13  -7.537  -1.968  -1.968
   89    HA   VAL  13           HA       VAL  13  -4.899  -1.304  -1.304
   90    HB   VAL  13           HB       VAL  13  -4.552  -3.854  -3.854
   91   1HG1  VAL  13          HG13      VAL  13  -6.523  -2.126  -2.126
   92   2HG1  VAL  13          HG12      VAL  13  -5.848  -3.705  -3.705
   93   3HG1  VAL  13          HG11      VAL  13  -4.744  -2.326  -2.326
   94   1HG2  VAL  13          HG21      VAL  13  -6.510  -4.568  -4.568
   95   2HG2  VAL  13          HG23      VAL  13  -6.575  -5.168  -5.168
   96   3HG2  VAL  13          HG22      VAL  13  -7.642  -3.815  -3.815
   97    H    TYR  14           HN       TYR  14  -2.874  -2.221  -2.221
   98    HA   TYR  14           HA       TYR  14  -3.014  -2.621  -2.621
   99   1HB   TYR  14           HB2      TYR  14  -1.213  -0.991  -0.991
  100   2HB   TYR  14           HB1      TYR  14  -0.266  -2.335  -2.335
  101    HD1  TYR  14           HD1      TYR  14  -1.746  -2.577  -2.577
  102    HD2  TYR  14           HD2      TYR  14  -0.012   0.669   0.669
  103    HE1  TYR  14           HE1      TYR  14  -1.434  -1.324  -1.324
  104    HE2  TYR  14           HE2      TYR  14   0.222   1.967   1.967
  105    HH   TYR  14           HH       TYR  14  -0.790   0.680   0.680
  106    H    HIS  15           HN       HIS  15  -2.181  -4.876  -4.876
  107    HA   HIS  15           HA       HIS  15  -2.440  -6.424  -6.424
  108   1HB   HIS  15           HB2      HIS  15  -2.710  -7.164  -7.164
  109   2HB   HIS  15           HB1      HIS  15  -2.710  -8.373  -8.373
  110    HD1  HIS  15           HD1      HIS  15  -4.806  -5.340  -5.340
  111    HD2  HIS  15           HD2      HIS  15  -4.987  -8.747  -8.747
  112    HE1  HIS  15           HE1      HIS  15  -7.162  -5.483  -5.483
  113    HE2  HIS  15           HE2      HIS  15  -7.232  -7.546  -7.546
  114    H    CYS  16           HN       CYS  16  -1.076  -8.766  -8.766
  115    HA   CYS  16           HA       CYS  16   1.622  -8.094  -8.094
  116   1HB   CYS  16           HB2      CYS  16   1.559  -7.610  -7.610
  117   2HB   CYS  16           HB1      CYS  16   0.494  -9.016  -9.016
  118    H    PHE  17           HN       PHE  17   2.550 -10.342 -10.342
  119    HA   PHE  17           HA       PHE  17   0.529 -12.400 -12.400
  120   1HB   PHE  17           HB2      PHE  17   3.199 -12.085 -12.085
  121   2HB   PHE  17           HB1      PHE  17   1.853 -13.223 -13.223
  122    HD1  PHE  17           HD2      PHE  17  -0.575 -11.474 -11.474
  123    HD2  PHE  17           HD1      PHE  17   3.431 -10.587 -10.587
  124    HE1  PHE  17           HE2      PHE  17  -1.456  -9.807  -9.807
  125    HE2  PHE  17           HE1      PHE  17   2.528  -8.915  -8.915
  126    HZ   PHE  17           HZ       PHE  17   0.081  -8.518  -8.518
  127    HA   PRO  18           HA       PRO  18   3.116 -12.571 -12.571
  128   1HB   PRO  18           HB2      PRO  18   2.142 -15.485 -15.485
  129   2HB   PRO  18           HB1      PRO  18   2.412 -14.356 -14.356
  130   1HG   PRO  18           HG1      PRO  18  -0.108 -14.607 -14.607
  131   2HG   PRO  18           HG2      PRO  18   0.544 -12.943 -12.943
  132   1HD   PRO  18           HD1      PRO  18   0.285 -14.373 -14.373
  133   2HD   PRO  18           HD2      PRO  18   0.089 -12.614 -12.614
  134    H    GLY  19           HN       GLY  19   5.275 -12.497 -12.497
  135   1HA   GLY  19           HA2      GLY  19   7.198 -14.271 -14.271
  136   2HA   GLY  19           HA1      GLY  19   6.582 -14.028 -14.028
  137    H    SER  20           HN       SER  20   5.510 -11.594 -11.594
  138    HA   SER  20           HA       SER  20   5.551  -9.481  -9.481
  139   1HB   SER  20           HB2      SER  20   8.434  -9.548  -9.548
  140   2HB   SER  20           HB1      SER  20   7.242  -8.210  -8.210
  141    HG   SER  20           HG       SER  20   7.353 -10.732 -10.732
  142    H    SER  21           HN       SER  21   6.538 -10.881 -10.881
  143    HA   SER  21           HA       SER  21   8.687  -9.478  -9.478
  144   1HB   SER  21           HB2      SER  21   7.436 -10.544 -10.544
  145   2HB   SER  21           HB1      SER  21   8.239 -11.596 -11.596
  146    HG   SER  21           HG       SER  21   6.158 -12.319 -12.319
  147    H    GLY  22           HN       GLY  22   5.170  -9.289  -9.289
  148   1HA   GLY  22           HA2      GLY  22   5.290  -7.004  -7.004
  149   2HA   GLY  22           HA1      GLY  22   3.847  -7.637  -7.637
  150    H    CYS  23           HN       CYS  23   4.957  -7.473  -7.473
  151    HA   CYS  23           HA       CYS  23   4.233  -4.842  -4.842
  152   1HB   CYS  23           HB2      CYS  23   3.792  -6.769  -6.769
  153   2HB   CYS  23           HB1      CYS  23   5.549  -6.980  -6.980
  154    H    ASP  24           HN       ASP  24   7.474  -6.537  -6.537
  155    HA   ASP  24           HA       ASP  24   9.018  -4.425  -4.425
  156   1HB   ASP  24           HB2      ASP  24   9.775  -6.832  -6.832
  157   2HB   ASP  24           HB1      ASP  24   9.669  -6.576  -6.576
  158    H    THR  25           HN       THR  25   8.041  -5.360  -5.360
  159    HA   THR  25           HA       THR  25   9.331  -3.323  -3.323
  160    HB   THR  25           HB       THR  25   6.693  -4.641  -4.641
  161    HG1  THR  25           HG1      THR  25   8.102  -6.308  -6.308
  162   1HG2  THR  25          HG23      THR  25   8.991  -3.465  -3.465
  163   2HG2  THR  25          HG22      THR  25   7.530  -4.301  -4.301
  164   3HG2  THR  25          HG21      THR  25   7.359  -2.737  -2.737
  165    H    LEU  26           HN       LEU  26   5.856  -3.453  -3.453
  166    HA   LEU  26           HA       LEU  26   5.163  -0.939  -0.939
  167   1HB   LEU  26           HB2      LEU  26   4.022  -2.678  -2.678
  168   2HB   LEU  26           HB1      LEU  26   3.241  -1.128  -1.128
  169    HG   LEU  26           HG       LEU  26   3.740  -3.396  -3.396
  170   1HD1  LEU  26          HD12      LEU  26   2.368  -4.313  -4.313
  171   2HD1  LEU  26          HD11      LEU  26   1.218  -2.929  -2.929
  172   3HD1  LEU  26          HD13      LEU  26   1.381  -4.100  -4.100
  173   1HD2  LEU  26          HD23      LEU  26   1.867  -0.941  -0.941
  174   2HD2  LEU  26          HD22      LEU  26   3.324  -1.202  -1.202
  175   3HD2  LEU  26          HD21      LEU  26   1.881  -2.250  -2.250
  176    H    CYS  27           HN       CYS  27   6.228  -2.017  -2.017
  177    HA   CYS  27           HA       CYS  27   5.922   0.475   0.475
  178   1HB   CYS  27           HB2      CYS  27   6.325  -1.814  -1.814
  179   2HB   CYS  27           HB1      CYS  27   8.058  -1.631  -1.631
  180    H    LYS  28           HN       LYS  28   8.733  -1.028  -1.028
  181    HA   LYS  28           HA       LYS  28  10.479   1.059   1.059
  182   1HB   LYS  28           HB2      LYS  28  11.230  -1.194  -1.194
  183   2HB   LYS  28           HB1      LYS  28  10.616  -0.912  -0.912
  184   1HG   LYS  28           HG2      LYS  28  12.351   0.765   0.765
  185   2HG   LYS  28           HG1      LYS  28  12.777   0.845   0.845
  186   1HD   LYS  28           HD2      LYS  28  14.479  -0.428  -0.428
  187   2HD   LYS  28           HD1      LYS  28  13.652  -1.452  -1.452
  188   1HE   LYS  28           HE2      LYS  28  12.228  -2.492  -2.492
  189   2HE   LYS  28           HE1      LYS  28  13.055  -1.444  -1.444
  190   1HZ   LYS  28           HZ1      LYS  28  15.149  -2.502  -2.502
  191   2HZ   LYS  28           HZ3      LYS  28  14.272  -3.558  -3.558
  192   3HZ   LYS  28           HZ2      LYS  28  14.016  -3.574  -3.574
  193    H    GLU  29           HN       GLU  29   8.415   0.495   0.495
  194    HA   GLU  29           HA       GLU  29   9.538   2.745   2.745
  195   1HB   GLU  29           HB2      GLU  29   7.895   2.467   2.467
  196   2HB   GLU  29           HB1      GLU  29   8.557   0.865   0.865
  197   1HG   GLU  29           HG2      GLU  29   6.453   0.544   0.544
  198   2HG   GLU  29           HG1      GLU  29   5.790   2.061   2.061
  199    H    LYS  30           HN       LYS  30   6.797   2.371   2.371
  200    HA   LYS  30           HA       LYS  30   5.825   4.989   4.989
  201   1HB   LYS  30           HB2      LYS  30   4.438   2.912   2.912
  202   2HB   LYS  30           HB1      LYS  30   4.988   3.445   3.445
  203   1HG   LYS  30           HG2      LYS  30   2.757   4.353   4.353
  204   2HG   LYS  30           HG1      LYS  30   3.953   5.689   5.689
  205   1HD   LYS  30           HD2      LYS  30   2.385   6.154   6.154
  206   2HD   LYS  30           HD1      LYS  30   3.930   5.805   5.805
  207   1HE   LYS  30           HE2      LYS  30   1.627   3.740   3.740
  208   2HE   LYS  30           HE1      LYS  30   1.806   4.867   4.867
  209   1HZ   LYS  30           HZ3      LYS  30   3.989   3.887   3.887
  210   2HZ   LYS  30           HZ2      LYS  30   3.709   2.743   2.743
  211   3HZ   LYS  30           HZ1      LYS  30   2.703   2.788   2.788
  212    H    GLY  31           HN       GLY  31   8.068   3.543   3.543
  213   1HA   GLY  31           HA2      GLY  31   9.903   4.829   4.829
  214   2HA   GLY  31           HA1      GLY  31   8.889   6.312   6.312
  215    H    GLY  32           HN       GLY  32   8.422   3.022   3.022
  216   1HA   GLY  32           HA2      GLY  32   8.806   4.162   4.162
  217   2HA   GLY  32           HA1      GLY  32   8.022   2.592   2.592
  218    H    THR  33           HN       THR  33  10.377   2.975   2.975
  219    HA   THR  33           HA       THR  33  12.664   2.453   2.453
  220    HB   THR  33           HB       THR  33  13.878   2.559   2.559
  221    HG1  THR  33           HG1      THR  33  12.601   3.418   3.418
  222   1HG2  THR  33          HG21      THR  33  13.586   4.538   4.538
  223   2HG2  THR  33          HG23      THR  33  12.002   4.921   4.921
  224   3HG2  THR  33          HG22      THR  33  13.511   5.055   5.055
  225    H    SER  34           HN       SER  34  10.630   0.843   0.843
  226    HA   SER  34           HA       SER  34  11.784  -1.737  -1.737
  227   1HB   SER  34           HB2      SER  34  10.872  -0.972  -0.972
  228   2HB   SER  34           HB1      SER  34  11.623  -2.530  -2.530
  229    HG   SER  34           HG       SER  34  12.826   0.046   0.046
  230    H    GLY  35           HN       GLY  35   9.933  -3.486  -3.486
  231   1HA   GLY  35           HA2      GLY  35   7.426  -2.511  -2.511
  232   2HA   GLY  35           HA1      GLY  35   7.677  -2.786  -2.786
  233    H    HIS  36           HN       HIS  36   6.067  -4.625  -4.625
  234    HA   HIS  36           HA       HIS  36   7.321  -7.030  -7.030
  235   1HB   HIS  36           HB2      HIS  36   7.088  -7.912  -7.912
  236   2HB   HIS  36           HB1      HIS  36   8.458  -6.774  -6.774
  237    HD1  HIS  36           HD1      HIS  36   8.453  -4.783  -4.783
  238    HD2  HIS  36           HD2      HIS  36   4.723  -6.716  -6.716
  239    HE1  HIS  36           HE1      HIS  36   7.055  -3.762  -3.762
  240    HE2  HIS  36           HE2      HIS  36   4.826  -4.967  -4.967
  241    H    CYS  37           HN       CYS  37   5.239  -8.530  -8.530
  242    HA   CYS  37           HA       CYS  37   2.943  -6.913  -6.913
  243   1HB   CYS  37           HB2      CYS  37   3.311  -9.957  -9.957
  244   2HB   CYS  37           HB1      CYS  37   1.898  -9.009  -9.009
  245    H    GLY  38           HN       GLY  38   0.749  -7.686  -7.686
  246   1HA   GLY  38           HA2      GLY  38   0.719  -9.107  -9.107
  247   2HA   GLY  38           HA1      GLY  38   0.828  -7.310  -7.310
  248    H    PHE  39           HN       PHE  39  -1.602  -7.707  -7.707
  249    HA   PHE  39           HA       PHE  39  -3.347  -7.667  -7.667
  250   1HB   PHE  39           HB2      PHE  39  -3.204  -9.940  -9.940
  251   2HB   PHE  39           HB1      PHE  39  -3.954  -9.005  -9.005
  252    HD1  PHE  39           HD1      PHE  39  -6.309  -7.985  -7.985
  253    HD2  PHE  39           HD2      PHE  39  -4.466 -10.930 -10.930
  254    HE1  PHE  39           HE1      PHE  39  -8.528  -8.657  -8.657
  255    HE2  PHE  39           HE2      PHE  39  -6.682 -11.613 -11.613
  256    HZ   PHE  39           HZ       PHE  39  -8.731 -10.496 -10.496
  257    H    LYS  40           HN       LYS  40  -4.960  -5.983  -5.983
  258    HA   LYS  40           HA       LYS  40  -4.612  -4.499  -4.499
  259   1HB   LYS  40           HB2      LYS  40  -4.040  -3.124  -3.124
  260   2HB   LYS  40           HB1      LYS  40  -5.694  -3.394  -3.394
  261   1HG   LYS  40           HG2      LYS  40  -5.202  -2.190  -2.190
  262   2HG   LYS  40           HG1      LYS  40  -5.063  -1.181  -1.181
  263   1HD   LYS  40           HD2      LYS  40  -7.384  -1.560  -1.560
  264   2HD   LYS  40           HD1      LYS  40  -7.630  -2.730  -2.730
  265   1HE   LYS  40           HE2      LYS  40  -7.328  -1.004  -1.004
  266   2HE   LYS  40           HE1      LYS  40  -6.936   0.239   0.239
  267   1HZ   LYS  40           HZ3      LYS  40  -9.141  -0.090  -0.090
  268   2HZ   LYS  40           HZ2      LYS  40  -9.508  -1.219  -1.219
  269   3HZ   LYS  40           HZ1      LYS  40  -9.196   0.400   0.400
  270    H    VAL  41           HN       VAL  41  -6.287  -5.168  -5.168
  271    HA   VAL  41           HA       VAL  41  -8.467  -6.554  -6.554
  272    HB   VAL  41           HB       VAL  41  -8.227  -5.878  -5.878
  273   1HG1  VAL  41          HG11      VAL  41  -9.587  -8.145  -8.145
  274   2HG1  VAL  41          HG13      VAL  41  -9.611  -7.988  -7.988
  275   3HG1  VAL  41          HG12      VAL  41 -10.439  -6.751  -6.751
  276   1HG2  VAL  41          HG21      VAL  41  -6.991  -8.256  -8.256
  277   2HG2  VAL  41          HG23      VAL  41  -6.068  -6.974  -6.974
  278   3HG2  VAL  41          HG22      VAL  41  -7.094  -8.120  -8.120
  279    H    GLY  42           HN       GLY  42 -10.342  -5.562  -5.562
  280   1HA   GLY  42           HA2      GLY  42 -11.970  -3.834  -3.834
  281   2HA   GLY  42           HA1      GLY  42 -10.587  -2.707  -2.707
  282    H    HIS  43           HN       HIS  43  -9.219  -4.707  -4.707
  283    HA   HIS  43           HA       HIS  43 -10.858  -3.919  -3.919
  284   1HB   HIS  43           HB2      HIS  43  -7.859  -3.358  -3.358
  285   2HB   HIS  43           HB1      HIS  43  -8.570  -3.635  -3.635
  286    HD1  HIS  43           HD1      HIS  43 -10.861  -1.974  -1.974
  287    HD2  HIS  43           HD2      HIS  43  -7.582  -0.648  -0.648
  288    HE1  HIS  43           HE1      HIS  43 -10.806   0.546   0.546
  289    HE2  HIS  43           HE2      HIS  43  -8.827   1.312   1.312
  290    H    GLY  44           HN       GLY  44  -7.587  -5.561  -5.561
  291   1HA   GLY  44           HA2      GLY  44  -8.384  -8.092  -8.092
  292   2HA   GLY  44           HA1      GLY  44  -8.295  -7.286  -7.286
  293    H    LEU  45           HN       LEU  45  -6.425  -8.722  -8.722
  294    HA   LEU  45           HA       LEU  45  -4.047  -8.593  -8.593
  295   1HB   LEU  45           HB2      LEU  45  -4.823 -10.408 -10.408
  296   2HB   LEU  45           HB1      LEU  45  -4.542  -9.216  -9.216
  297    HG   LEU  45           HG       LEU  45  -2.075  -9.169  -9.169
  298   1HD1  LEU  45          HD11      LEU  45  -2.869 -11.625 -11.625
  299   2HD1  LEU  45          HD13      LEU  45  -1.191 -11.100 -11.100
  300   3HD1  LEU  45          HD12      LEU  45  -2.235 -10.052 -10.052
  301   1HD2  LEU  45          HD21      LEU  45  -2.899 -10.469 -10.469
  302   2HD2  LEU  45          HD23      LEU  45  -1.556 -11.329 -11.329
  303   3HD2  LEU  45          HD22      LEU  45  -3.251 -11.883 -11.883
  304    H    ALA  46           HN       ALA  46  -2.138  -7.113  -7.113
  305    HA   ALA  46           HA       ALA  46  -2.771  -4.908  -4.908
  306   1HB   ALA  46           HB3      ALA  46  -3.685  -4.318  -4.318
  307   2HB   ALA  46           HB2      ALA  46  -2.061  -4.613  -4.613
  308   3HB   ALA  46           HB1      ALA  46  -2.315  -3.256  -3.256
  309    H    CYS  47           HN       CYS  47  -0.482  -3.290  -3.290
  310    HA   CYS  47           HA       CYS  47   1.701  -5.288  -5.288
  311   1HB   CYS  47           HB2      CYS  47   1.556  -4.854  -4.854
  312   2HB   CYS  47           HB1      CYS  47   1.176  -3.146  -3.146
  313    H    TRP  48           HN       TRP  48   3.538  -4.163  -4.163
  314    HA   TRP  48           HA       TRP  48   2.485  -1.835  -1.835
  315   1HB   TRP  48           HB2      TRP  48   2.940  -3.749  -3.749
  316   2HB   TRP  48           HB1      TRP  48   4.579  -3.919  -3.919
  317    HD1  TRP  48           HD1      TRP  48   6.464  -2.088  -2.088
  318    HE1  TRP  48           HE1      TRP  48   6.563  -0.412  -0.412
  319    HE3  TRP  48           HE3      TRP  48   1.593  -2.377  -2.377
  320    HZ2  TRP  48           HZ2      TRP  48   4.791   0.567   0.567
  321    HZ3  TRP  48           HZ3      TRP  48   0.844  -1.058  -1.058
  322    HH2  TRP  48           HH2      TRP  48   2.423   0.405   0.405
  323    H    CYS  49           HN       CYS  49   4.078  -0.041  -0.041
  324    HA   CYS  49           HA       CYS  49   6.547  -0.384  -0.384
  325   1HB   CYS  49           HB2      CYS  49   4.509   1.834   1.834
  326   2HB   CYS  49           HB1      CYS  49   6.274   2.069   2.069
  327    H    ASN  50           HN       ASN  50   8.075   1.025   1.025
  328    HA   ASN  50           HA       ASN  50   7.133   2.616   2.616
  329   1HB   ASN  50           HB2      ASN  50   9.334   0.622   0.622
  330   2HB   ASN  50           HB1      ASN  50  10.022   2.235   2.235
  331   1HD2  ASN  50          HD22      ASN  50   8.975   2.212   2.212
  332   2HD2  ASN  50          HD21      ASN  50   9.902   2.976   2.976
  333    H    ALA  51           HN       ALA  51   7.719   4.755   4.755
  334    HA   ALA  51           HA       ALA  51   8.511   6.597   6.597
  335   1HB   ALA  51           HB3      ALA  51  10.793   5.648   5.648
  336   2HB   ALA  51           HB2      ALA  51  10.780   5.153   5.153
  337   3HB   ALA  51           HB1      ALA  51  10.739   6.899   6.899
  338    H    LEU  52           HN       LEU  52   6.372   6.214   6.214
  339    HA   LEU  52           HA       LEU  52   6.967   6.496   6.496
  340   1HB   LEU  52           HB2      LEU  52   4.340   6.138   6.138
  341   2HB   LEU  52           HB1      LEU  52   4.352   6.806   6.806
  342    HG   LEU  52           HG       LEU  52   5.616   4.119   4.119
  343   1HD1  LEU  52          HD11      LEU  52   2.787   4.745   4.745
  344   2HD1  LEU  52          HD13      LEU  52   3.533   3.108   3.108
  345   3HD1  LEU  52          HD12      LEU  52   3.204   3.979   3.979
  346   1HD2  LEU  52          HD22      LEU  52   6.383   5.226   5.226
  347   2HD2  LEU  52          HD21      LEU  52   5.599   3.631   3.631
  348   3HD2  LEU  52          HD23      LEU  52   4.695   5.127   5.127
  349    HA   PRO  53           HA       PRO  53   6.614  10.803  10.803
  350   1HB   PRO  53           HB2      PRO  53   6.721  12.028  12.028
  351   2HB   PRO  53           HB1      PRO  53   8.150  11.245  11.245
  352   1HG   PRO  53           HG1      PRO  53   6.260  10.059  10.059
  353   2HG   PRO  53           HG2      PRO  53   8.070  10.049  10.049
  354   1HD   PRO  53           HD1      PRO  53   6.483   7.919   7.919
  355   2HD   PRO  53           HD2      PRO  53   8.099   8.272   8.272
  356    H    ASP  54           HN       ASP  54   5.200  12.734  12.734
  357    HA   ASP  54           HA       ASP  54   2.602  12.077  12.077
  358   1HB   ASP  54           HB2      ASP  54   3.812  14.666  14.666
  359   2HB   ASP  54           HB1      ASP  54   2.173  14.562  14.562
  360    H    ASN  55           HN       ASN  55   4.076  12.115  12.115
  361    HA   ASN  55           HA       ASN  55   1.669  12.975  12.975
  362   1HB   ASN  55           HB2      ASN  55   3.063  12.642  12.642
  363   2HB   ASN  55           HB1      ASN  55   3.756  13.817  13.817
  364   1HD2  ASN  55          HD22      ASN  55   5.767  10.279  10.279
  365   2HD2  ASN  55          HD21      ASN  55   4.102  10.436  10.436
  366    H    VAL  56           HN       VAL  56   2.255  10.222  10.222
  367    HA   VAL  56           HA       VAL  56   1.217   8.514   8.514
  368    HB   VAL  56           HB       VAL  56   2.449   7.592   7.592
  369   1HG1  VAL  56          HG12      VAL  56   1.760   6.253   6.253
  370   2HG1  VAL  56          HG11      VAL  56   2.682   5.448   5.448
  371   3HG1  VAL  56          HG13      VAL  56   0.982   5.950   5.950
  372   1HG2  VAL  56          HG21      VAL  56   3.874   8.120   8.120
  373   2HG2  VAL  56          HG23      VAL  56   4.195   8.924   8.924
  374   3HG2  VAL  56          HG22      VAL  56   4.574   7.205   7.205
  375    H    GLY  57           HN       GLY  57  -0.835   7.452   7.452
  376   1HA   GLY  57           HA2      GLY  57  -1.977   8.410   8.410
  377   2HA   GLY  57           HA1      GLY  57  -2.909   8.235   8.235
  378    H    ILE  58           HN       ILE  58  -3.263   6.599   6.599
  379    HA   ILE  58           HA       ILE  58  -2.406   3.985   3.985
  380    HB   ILE  58           HB       ILE  58  -1.335   3.613   3.613
  381   1HG1  ILE  58          HG12      ILE  58  -1.285   6.694   6.694
  382   2HG1  ILE  58          HG11      ILE  58  -2.303   5.596   5.596
  383   1HG2  ILE  58          HG21      ILE  58  -0.127   4.102   4.102
  384   2HG2  ILE  58          HG23      ILE  58   0.175   5.762   5.762
  385   3HG2  ILE  58          HG22      ILE  58   0.812   4.325   4.325
  386   1HD1  ILE  58          HD12      ILE  58  -0.194   4.424   4.424
  387   2HD1  ILE  58          HD11      ILE  58   0.781   5.681   5.681
  388   3HD1  ILE  58          HD13      ILE  58  -0.322   6.155   6.155
  389    H    ILE  59           HN       ILE  59  -3.006   3.207   3.207
  390    HA   ILE  59           HA       ILE  59  -5.799   3.143   3.143
  391    HB   ILE  59           HB       ILE  59  -4.392   2.394   2.394
  392   1HG1  ILE  59          HG12      ILE  59  -3.133   1.285   1.285
  393   2HG1  ILE  59          HG11      ILE  59  -4.060   0.166   0.166
  394   1HG2  ILE  59          HG21      ILE  59  -6.998   1.572   1.572
  395   2HG2  ILE  59          HG23      ILE  59  -6.346   0.728   0.728
  396   3HG2  ILE  59          HG22      ILE  59  -6.867   2.449   2.449
  397   1HD1  ILE  59          HD11      ILE  59  -5.256   1.044   1.044
  398   2HD1  ILE  59          HD13      ILE  59  -4.004  -0.247  -0.247
  399   3HD1  ILE  59          HD12      ILE  59  -5.577  -0.424  -0.424
  400    H    VAL  60           HN       VAL  60  -7.265   4.570   4.570
  401    HA   VAL  60           HA       VAL  60  -6.457   6.722   6.722
  402    HB   VAL  60           HB       VAL  60  -6.210   6.739   6.739
  403   1HG1  VAL  60          HG12      VAL  60  -8.676   6.870   6.870
  404   2HG1  VAL  60          HG11      VAL  60  -8.695   8.460   8.460
  405   3HG1  VAL  60          HG13      VAL  60  -7.766   8.263   8.263
  406   1HG2  VAL  60          HG23      VAL  60  -4.940   8.060   8.060
  407   2HG2  VAL  60          HG22      VAL  60  -5.607   9.091   9.091
  408   3HG2  VAL  60          HG21      VAL  60  -6.370   9.123   9.123
  409    H    GLU  61           HN       GLU  61  -8.560   8.154   8.154
  410    HA   GLU  61           HA       GLU  61 -10.624   8.489   8.489
  411   1HB   GLU  61           HB2      GLU  61 -11.015   7.863   7.863
  412   2HB   GLU  61           HB1      GLU  61 -11.249   6.167   6.167
  413   1HG   GLU  61           HG2      GLU  61 -13.419   7.190   7.190
  414   2HG   GLU  61           HG1      GLU  61 -13.285   6.841   6.841
  415    H    GLY  62           HN       GLY  62 -10.170   4.978   4.978
  416   1HA   GLY  62           HA2      GLY  62 -10.548   4.112   4.112
  417   2HA   GLY  62           HA1      GLY  62 -12.263   4.513   4.513
  418    H    GLU  63           HN       GLU  63 -12.788   3.913   3.913
  419    HA   GLU  63           HA       GLU  63 -11.329   1.933   1.933
  420   1HB   GLU  63           HB2      GLU  63 -12.427   0.427   0.427
  421   2HB   GLU  63           HB1      GLU  63 -13.986   1.309   1.309
  422   1HG   GLU  63           HG2      GLU  63 -14.136   0.400   0.400
  423   2HG   GLU  63           HG1      GLU  63 -12.594  -0.496  -0.496
  424    H    LYS  64           HN       LYS  64 -12.446   1.960   1.960
  425    HA   LYS  64           HA       LYS  64 -14.926   2.647   2.647
  426   1HB   LYS  64           HB2      LYS  64 -14.008   5.125   5.125
  427   2HB   LYS  64           HB1      LYS  64 -13.074   4.920   4.920
  428   1HG   LYS  64           HG2      LYS  64 -15.232   4.599   4.599
  429   2HG   LYS  64           HG1      LYS  64 -16.153   4.640   4.640
  430   1HD   LYS  64           HD2      LYS  64 -14.524   6.975   6.975
  431   2HD   LYS  64           HD1      LYS  64 -16.298   6.752   6.752
  432   1HE   LYS  64           HE2      LYS  64 -14.695   7.313   7.313
  433   2HE   LYS  64           HE1      LYS  64 -15.841   8.419   8.419
  434   1HZ   LYS  64           HZ2      LYS  64 -16.539   5.833   5.833
  435   2HZ   LYS  64           HZ1      LYS  64 -16.814   7.385   7.385
  436   3HZ   LYS  64           HZ3      LYS  64 -17.619   6.884   6.884
  437    H    CYS  65           HN       CYS  65 -14.395   2.952   2.952
  438    HA   CYS  65           HA       CYS  65 -11.789   2.599   2.599
  439   1HB   CYS  65           HB2      CYS  65 -12.158   0.122   0.122
  440   2HB   CYS  65           HB1      CYS  65 -13.693   0.195   0.195
  441    H    HIS  66           HN       HIS  66 -12.051   3.100   3.100
  442    HA   HIS  66           HA       HIS  66 -14.649   3.265   3.265
  443   1HB   HIS  66           HB2      HIS  66 -14.694   5.745   5.745
  444   2HB   HIS  66           HB1      HIS  66 -14.966   5.390   5.390
  445    HD1  HIS  66           HD1      HIS  66 -12.857   5.801   5.801
  446    HD2  HIS  66           HD2      HIS  66 -12.558   7.497   7.497
  447    HE1  HIS  66           HE1      HIS  66 -11.087   7.603   7.603
  448    HE2  HIS  66           HE2      HIS  66 -10.938   8.605   8.605
  449    H    SER  67           HN       SER  67 -13.997   4.860   4.860
  450    HA   SER  67           HA       SER  67 -11.412   4.680   4.680
  451   1HB   SER  67           HB2      SER  67 -13.407   2.475   2.475
  452   2HB   SER  67           HB1      SER  67 -11.927   2.945   2.945
  453    HG   SER  67           HG       SER  67 -11.681   2.256   2.256
  454   1HN   NH2  68           H1       NH2  68 -13.403   6.292   6.292
  455   2HN   NH2  68           H2       NH2  68 -11.982   5.305   5.305

  Start of MODEL   19
    1   1H    VAL   1           HT3      VAL   1   6.940  12.090  12.090
    2   2H    VAL   1           HT2      VAL   1   7.312  12.667  12.667
    3   3H    VAL   1           HT1      VAL   1   5.697  12.633  12.633
    4    HA   VAL   1           HA       VAL   1   6.033  10.888  10.888
    5    HB   VAL   1           HB       VAL   1   7.652   9.046   9.046
    6   1HG1  VAL   1          HG11      VAL   1   8.235  10.945  10.945
    7   2HG1  VAL   1          HG13      VAL   1   8.986  11.834  11.834
    8   3HG1  VAL   1          HG12      VAL   1   9.681  10.269  10.269
    9   1HG2  VAL   1          HG21      VAL   1   8.645  10.851  10.851
   10   2HG2  VAL   1          HG23      VAL   1   7.867   9.233   9.233
   11   3HG2  VAL   1          HG22      VAL   1   9.478   9.381   9.381
   12    H    ARG   2           HN       ARG   2   5.206   8.604   8.604
   13    HA   ARG   2           HA       ARG   2   3.864   8.375   8.375
   14   1HB   ARG   2           HB2      ARG   2   3.059   6.928   6.928
   15   2HB   ARG   2           HB1      ARG   2   2.216   6.898   6.898
   16   1HG   ARG   2           HG2      ARG   2   0.874   8.212   8.212
   17   2HG   ARG   2           HG1      ARG   2   1.796   9.460   9.460
   18   1HD   ARG   2           HD2      ARG   2   2.990  10.139  10.139
   19   2HD   ARG   2           HD1      ARG   2   2.726   8.529   8.529
   20    HE   ARG   2           HE       ARG   2   0.649   9.192   9.192
   21   1HH1  ARG   2          HH11      ARG   2   1.555  11.448  11.448
   22   2HH1  ARG   2          HH12      ARG   2   0.282  12.567  12.567
   23   1HH2  ARG   2          HH21      ARG   2  -0.901  10.815  10.815
   24   2HH2  ARG   2          HH22      ARG   2  -1.134  12.209  12.209
   25    H    ASP   3           HN       ASP   3   3.732   6.064   6.064
   26    HA   ASP   3           HA       ASP   3   5.217   4.127   4.127
   27   1HB   ASP   3           HB2      ASP   3   5.061   4.080   4.080
   28   2HB   ASP   3           HB1      ASP   3   5.884   2.899   2.899
   29    H    GLY   4           HN       GLY   4   3.443   2.540   2.540
   30   1HA   GLY   4           HA2      GLY   4   1.352   2.439   2.439
   31   2HA   GLY   4           HA1      GLY   4   0.915   3.366   3.366
   32    H    TYR   5           HN       TYR   5  -0.481   1.251   1.251
   33    HA   TYR   5           HA       TYR   5   1.058  -0.771  -0.771
   34   1HB   TYR   5           HB2      TYR   5  -1.855  -0.377  -0.377
   35   2HB   TYR   5           HB1      TYR   5  -1.513  -1.358  -1.358
   36    HD1  TYR   5           HD1      TYR   5  -0.116  -3.439  -3.439
   37    HD2  TYR   5           HD2      TYR   5  -1.563  -1.230  -1.230
   38    HE1  TYR   5           HE1      TYR   5   0.077  -5.458  -5.458
   39    HE2  TYR   5           HE2      TYR   5  -1.364  -3.252  -3.252
   40    HH   TYR   5           HH       TYR   5  -1.265  -6.269  -6.269
   41    H    ILE   6           HN       ILE   6   0.886  -0.737  -0.737
   42    HA   ILE   6           HA       ILE   6   0.019   1.892   1.892
   43    HB   ILE   6           HB       ILE   6   2.338   1.287   1.287
   44   1HG1  ILE   6          HG12      ILE   6   0.374   1.584   1.584
   45   2HG1  ILE   6          HG11      ILE   6   1.089   2.884   2.884
   46   1HG2  ILE   6          HG23      ILE   6   1.036  -1.050  -1.050
   47   2HG2  ILE   6          HG22      ILE   6   2.730  -0.487  -0.487
   48   3HG2  ILE   6          HG21      ILE   6   2.228  -1.114  -1.114
   49   1HD1  ILE   6          HD12      ILE   6   3.400   2.157   2.157
   50   2HD1  ILE   6          HD11      ILE   6   2.531   1.062   1.062
   51   3HD1  ILE   6          HD13      ILE   6   2.273   2.841   2.841
   52    H    ALA   7           HN       ALA   7  -1.460   2.038   2.038
   53    HA   ALA   7           HA       ALA   7  -2.978  -0.116  -0.116
   54   1HB   ALA   7           HB1      ALA   7  -4.110   2.183   2.183
   55   2HB   ALA   7           HB3      ALA   7  -5.099   1.520   1.520
   56   3HB   ALA   7           HB2      ALA   7  -4.623   0.449   0.449
   57    H    GLN   8           HN       GLN   8  -4.511   1.212   1.212
   58    HA   GLN   8           HA       GLN   8  -2.750   2.850   2.850
   59   1HB   GLN   8           HB2      GLN   8  -5.628   1.811   1.811
   60   2HB   GLN   8           HB1      GLN   8  -4.584   2.563   2.563
   61   1HG   GLN   8           HG2      GLN   8  -3.015   0.666   0.666
   62   2HG   GLN   8           HG1      GLN   8  -3.896  -0.076  -0.076
   63   1HE2  GLN   8          HE21      GLN   8  -5.967  -1.908  -1.908
   64   2HE2  GLN   8          HE22      GLN   8  -5.222  -1.772  -1.772
   65    HA   PRO   9           HA       PRO   9  -4.157   6.418   6.418
   66   1HB   PRO   9           HB2      PRO   9  -5.024   7.533   7.533
   67   2HB   PRO   9           HB1      PRO   9  -3.966   8.331   8.331
   68   1HG   PRO   9           HG1      PRO   9  -2.837   7.083   7.083
   69   2HG   PRO   9           HG2      PRO   9  -2.138   6.795   6.795
   70   1HD   PRO   9           HD1      PRO   9  -4.026   4.985   4.985
   71   2HD   PRO   9           HD2      PRO   9  -2.562   4.571   4.571
   72    H    GLU  10           HN       GLU  10  -6.846   4.967   4.967
   73    HA   GLU  10           HA       GLU  10  -8.695   6.966   6.966
   74   1HB   GLU  10           HB2      GLU  10  -9.316   4.540   4.540
   75   2HB   GLU  10           HB1      GLU  10 -10.422   5.865   5.865
   76   1HG   GLU  10           HG2      GLU  10  -7.850   6.281   6.281
   77   2HG   GLU  10           HG1      GLU  10  -9.473   5.911   5.911
   78    H    ASN  11           HN       ASN  11  -7.000   4.625   4.625
   79    HA   ASN  11           HA       ASN  11  -7.190   3.586   3.586
   80   1HB   ASN  11           HB2      ASN  11  -8.701   5.394   5.394
   81   2HB   ASN  11           HB1      ASN  11 -10.118   4.447   4.447
   82   1HD2  ASN  11          HD21      ASN  11 -10.170   3.072   3.072
   83   2HD2  ASN  11          HD22      ASN  11 -11.065   3.684   3.684
   84    H    CYS  12           HN       CYS  12  -7.001   2.033   2.033
   85    HA   CYS  12           HA       CYS  12  -8.870  -0.201  -0.201
   86   1HB   CYS  12           HB2      CYS  12  -8.133   0.895   0.895
   87   2HB   CYS  12           HB1      CYS  12  -8.154  -0.873  -0.873
   88    H    VAL  13           HN       VAL  13  -7.411  -2.082  -2.082
   89    HA   VAL  13           HA       VAL  13  -4.839  -1.212  -1.212
   90    HB   VAL  13           HB       VAL  13  -4.319  -3.755  -3.755
   91   1HG1  VAL  13          HG11      VAL  13  -6.216  -2.037  -2.037
   92   2HG1  VAL  13          HG13      VAL  13  -5.435  -3.572  -3.572
   93   3HG1  VAL  13          HG12      VAL  13  -4.419  -2.157  -2.157
   94   1HG2  VAL  13          HG21      VAL  13  -6.371  -4.480  -4.480
   95   2HG2  VAL  13          HG23      VAL  13  -6.263  -5.143  -5.143
   96   3HG2  VAL  13          HG22      VAL  13  -7.411  -3.807  -3.807
   97    H    TYR  14           HN       TYR  14  -2.773  -2.327  -2.327
   98    HA   TYR  14           HA       TYR  14  -2.679  -2.439  -2.439
   99   1HB   TYR  14           HB2      TYR  14  -1.034  -0.855  -0.855
  100   2HB   TYR  14           HB1      TYR  14  -0.024  -2.142  -2.142
  101    HD1  TYR  14           HD2      TYR  14  -0.713  -2.400  -2.400
  102    HD2  TYR  14           HD1      TYR  14  -0.522   1.151   1.151
  103    HE1  TYR  14           HE2      TYR  14  -0.301  -1.052  -1.052
  104    HE2  TYR  14           HE1      TYR  14  -0.123   2.504   2.504
  105    HH   TYR  14           HH       TYR  14   0.084   1.060   1.060
  106    H    HIS  15           HN       HIS  15  -1.977  -4.754  -4.754
  107    HA   HIS  15           HA       HIS  15  -2.340  -6.132  -6.132
  108   1HB   HIS  15           HB2      HIS  15  -2.341  -7.127  -7.127
  109   2HB   HIS  15           HB1      HIS  15  -2.493  -8.203  -8.203
  110    HD1  HIS  15           HD1      HIS  15  -4.413  -5.118  -5.118
  111    HD2  HIS  15           HD2      HIS  15  -4.967  -8.755  -8.755
  112    HE1  HIS  15           HE1      HIS  15  -6.889  -5.341  -5.341
  113    HE2  HIS  15           HE2      HIS  15  -7.177  -7.540  -7.540
  114    H    CYS  16           HN       CYS  16  -0.712  -8.504  -8.504
  115    HA   CYS  16           HA       CYS  16   1.926  -7.562  -7.562
  116   1HB   CYS  16           HB2      CYS  16   1.513  -7.653  -7.653
  117   2HB   CYS  16           HB1      CYS  16   0.580  -9.162  -9.162
  118    H    PHE  17           HN       PHE  17   3.027  -9.809  -9.809
  119    HA   PHE  17           HA       PHE  17   1.065 -11.595 -11.595
  120   1HB   PHE  17           HB2      PHE  17   4.007 -11.101 -11.101
  121   2HB   PHE  17           HB1      PHE  17   2.854 -12.243 -12.243
  122    HD1  PHE  17           HD1      PHE  17   0.356 -10.381 -10.381
  123    HD2  PHE  17           HD2      PHE  17   4.516  -9.689  -9.689
  124    HE1  PHE  17           HE1      PHE  17  -0.277  -8.622  -8.622
  125    HE2  PHE  17           HE2      PHE  17   3.861  -7.893  -7.893
  126    HZ   PHE  17           HZ       PHE  17   1.464  -7.349  -7.349
  127    HA   PRO  18           HA       PRO  18   2.464 -12.617 -12.617
  128   1HB   PRO  18           HB2      PRO  18   1.651 -15.489 -15.489
  129   2HB   PRO  18           HB1      PRO  18   1.416 -14.661 -14.661
  130   1HG   PRO  18           HG1      PRO  18  -0.618 -14.686 -14.686
  131   2HG   PRO  18           HG2      PRO  18  -0.223 -13.134 -13.134
  132   1HD   PRO  18           HD1      PRO  18   0.459 -13.947 -13.947
  133   2HD   PRO  18           HD2      PRO  18   0.070 -12.318 -12.318
  134    H    GLY  19           HN       GLY  19   4.689 -12.259 -12.259
  135   1HA   GLY  19           HA2      GLY  19   6.307 -14.148 -14.148
  136   2HA   GLY  19           HA1      GLY  19   6.644 -13.926 -13.926
  137    H    SER  20           HN       SER  20   8.640 -12.563 -12.563
  138    HA   SER  20           HA       SER  20   7.794 -10.082 -10.082
  139   1HB   SER  20           HB2      SER  20  10.591 -10.695 -10.695
  140   2HB   SER  20           HB1      SER  20  10.148  -9.678  -9.678
  141    HG   SER  20           HG       SER  20  10.962 -11.692 -11.692
  142    H    SER  21           HN       SER  21   8.906 -11.397 -11.397
  143    HA   SER  21           HA       SER  21   9.777  -9.478  -9.478
  144   1HB   SER  21           HB2      SER  21   7.874 -11.584 -11.584
  145   2HB   SER  21           HB1      SER  21   9.483 -11.041 -11.041
  146    HG   SER  21           HG       SER  21   9.672 -13.033 -13.033
  147    H    GLY  22           HN       GLY  22   6.200 -10.249 -10.249
  148   1HA   GLY  22           HA2      GLY  22   5.731  -8.457  -8.457
  149   2HA   GLY  22           HA1      GLY  22   4.521  -9.188  -9.188
  150    H    CYS  23           HN       CYS  23   5.577  -8.135  -8.135
  151    HA   CYS  23           HA       CYS  23   4.310  -5.571  -5.571
  152   1HB   CYS  23           HB2      CYS  23   4.024  -6.924  -6.924
  153   2HB   CYS  23           HB1      CYS  23   5.793  -7.020  -7.020
  154    H    ASP  24           HN       ASP  24   7.682  -6.815  -6.815
  155    HA   ASP  24           HA       ASP  24   8.882  -4.371  -4.371
  156   1HB   ASP  24           HB2      ASP  24   9.978  -6.639  -6.639
  157   2HB   ASP  24           HB1      ASP  24  10.093  -6.799  -6.799
  158    H    THR  25           HN       THR  25   8.167  -6.086  -6.086
  159    HA   THR  25           HA       THR  25   9.337  -4.232  -4.232
  160    HB   THR  25           HB       THR  25   6.784  -5.806  -5.806
  161    HG1  THR  25           HG1      THR  25   8.372  -7.237  -7.237
  162   1HG2  THR  25          HG21      THR  25   8.992  -4.768  -4.768
  163   2HG2  THR  25          HG23      THR  25   7.584  -5.782  -5.782
  164   3HG2  THR  25          HG22      THR  25   7.318  -4.114  -4.114
  165    H    LEU  26           HN       LEU  26   5.910  -4.347  -4.347
  166    HA   LEU  26           HA       LEU  26   5.054  -2.120  -2.120
  167   1HB   LEU  26           HB2      LEU  26   3.961  -3.419  -3.419
  168   2HB   LEU  26           HB1      LEU  26   3.113  -2.087  -2.087
  169    HG   LEU  26           HG       LEU  26   3.874  -4.716  -4.716
  170   1HD1  LEU  26          HD13      LEU  26   1.242  -4.042  -4.042
  171   2HD1  LEU  26          HD12      LEU  26   1.518  -5.461  -5.461
  172   3HD1  LEU  26          HD11      LEU  26   2.450  -5.296  -5.296
  173   1HD2  LEU  26          HD23      LEU  26   1.864  -2.482  -2.482
  174   2HD2  LEU  26          HD22      LEU  26   3.409  -2.855  -2.855
  175   3HD2  LEU  26          HD21      LEU  26   2.060  -4.042  -4.042
  176    H    CYS  27           HN       CYS  27   6.256  -2.570  -2.570
  177    HA   CYS  27           HA       CYS  27   5.816   0.002   0.002
  178   1HB   CYS  27           HB2      CYS  27   6.491  -2.124  -2.124
  179   2HB   CYS  27           HB1      CYS  27   8.179  -1.787  -1.787
  180    H    LYS  28           HN       LYS  28   8.617  -1.453  -1.453
  181    HA   LYS  28           HA       LYS  28  10.252   0.845   0.845
  182   1HB   LYS  28           HB2      LYS  28  10.259  -1.548  -1.548
  183   2HB   LYS  28           HB1      LYS  28  11.427  -0.197  -0.197
  184   1HG   LYS  28           HG2      LYS  28  12.368  -0.569  -0.569
  185   2HG   LYS  28           HG1      LYS  28  11.136  -1.811  -1.811
  186   1HD   LYS  28           HD2      LYS  28  13.288  -2.871  -2.871
  187   2HD   LYS  28           HD1      LYS  28  12.006  -3.321  -3.321
  188   1HE   LYS  28           HE2      LYS  28  14.236  -2.887  -2.887
  189   2HE   LYS  28           HE1      LYS  28  12.948  -1.776  -1.776
  190   1HZ   LYS  28           HZ1      LYS  28  14.971  -1.121  -1.121
  191   2HZ   LYS  28           HZ3      LYS  28  15.009  -0.641  -0.641
  192   3HZ   LYS  28           HZ2      LYS  28  13.773  -0.081  -0.081
  193    H    GLU  29           HN       GLU  29   7.941  -0.263  -0.263
  194    HA   GLU  29           HA       GLU  29   8.819   1.830   1.830
  195   1HB   GLU  29           HB2      GLU  29   7.027   1.233   1.233
  196   2HB   GLU  29           HB1      GLU  29   7.879  -0.233  -0.233
  197   1HG   GLU  29           HG2      GLU  29   6.027  -0.544  -0.544
  198   2HG   GLU  29           HG1      GLU  29   5.113   0.808   0.808
  199    H    LYS  30           HN       LYS  30   6.442   1.702   1.702
  200    HA   LYS  30           HA       LYS  30   5.313   4.260   4.260
  201   1HB   LYS  30           HB2      LYS  30   4.889   2.325   2.325
  202   2HB   LYS  30           HB1      LYS  30   4.538   4.057   4.057
  203   1HG   LYS  30           HG2      LYS  30   3.433   2.700   2.700
  204   2HG   LYS  30           HG1      LYS  30   2.577   2.552   2.552
  205   1HD   LYS  30           HD2      LYS  30   2.094   4.856   4.856
  206   2HD   LYS  30           HD1      LYS  30   3.418   5.346   5.346
  207   1HE   LYS  30           HE2      LYS  30   0.777   4.010   4.010
  208   2HE   LYS  30           HE1      LYS  30   1.247   5.743   5.743
  209   1HZ   LYS  30           HZ3      LYS  30   3.096   5.032   5.032
  210   2HZ   LYS  30           HZ2      LYS  30   2.647   3.405   3.405
  211   3HZ   LYS  30           HZ1      LYS  30   1.614   4.480   4.480
  212    H    GLY  31           HN       GLY  31   7.410   3.103   3.103
  213   1HA   GLY  31           HA2      GLY  31   9.530   4.281   4.281
  214   2HA   GLY  31           HA1      GLY  31   8.593   5.823   5.823
  215    H    GLY  32           HN       GLY  32   8.251   2.648   2.648
  216   1HA   GLY  32           HA2      GLY  32   8.818   4.118   4.118
  217   2HA   GLY  32           HA1      GLY  32   7.903   2.561   2.561
  218    H    THR  33           HN       THR  33  10.600   3.309   3.309
  219    HA   THR  33           HA       THR  33  12.521   2.048   2.048
  220    HB   THR  33           HB       THR  33  14.109   3.062   3.062
  221    HG1  THR  33           HG1      THR  33  12.600   3.397   3.397
  222   1HG2  THR  33          HG21      THR  33  12.204   4.883   4.883
  223   2HG2  THR  33          HG23      THR  33  13.820   5.350   5.350
  224   3HG2  THR  33          HG22      THR  33  13.685   4.070   4.070
  225    H    SER  34           HN       SER  34  10.379   0.849   0.849
  226    HA   SER  34           HA       SER  34  11.869  -1.493  -1.493
  227   1HB   SER  34           HB2      SER  34  11.203  -0.174  -0.174
  228   2HB   SER  34           HB1      SER  34  11.739  -1.879  -1.879
  229    HG   SER  34           HG       SER  34  13.391  -0.060  -0.060
  230    H    GLY  35           HN       GLY  35  10.055  -3.187  -3.187
  231   1HA   GLY  35           HA2      GLY  35   7.564  -2.183  -2.183
  232   2HA   GLY  35           HA1      GLY  35   7.803  -2.585  -2.585
  233    H    HIS  36           HN       HIS  36   6.163  -4.341  -4.341
  234    HA   HIS  36           HA       HIS  36   7.742  -6.705  -6.705
  235   1HB   HIS  36           HB2      HIS  36   6.291  -5.836  -5.836
  236   2HB   HIS  36           HB1      HIS  36   7.149  -7.386  -7.386
  237    HD1  HIS  36           HD1      HIS  36   7.662  -3.899  -3.899
  238    HD2  HIS  36           HD2      HIS  36  10.106  -7.048  -7.048
  239    HE1  HIS  36           HE1      HIS  36  10.045  -3.330  -3.330
  240    HE2  HIS  36           HE2      HIS  36  11.484  -5.237  -5.237
  241    H    CYS  37           HN       CYS  37   6.005  -8.488  -8.488
  242    HA   CYS  37           HA       CYS  37   3.648  -7.400  -7.400
  243   1HB   CYS  37           HB2      CYS  37   5.004  -9.344  -9.344
  244   2HB   CYS  37           HB1      CYS  37   4.586 -10.282 -10.282
  245    H    GLY  38           HN       GLY  38   1.331  -8.028  -8.028
  246   1HA   GLY  38           HA2      GLY  38   1.226  -9.423  -9.423
  247   2HA   GLY  38           HA1      GLY  38   1.237  -7.628  -7.628
  248    H    PHE  39           HN       PHE  39  -1.080  -8.427  -8.427
  249    HA   PHE  39           HA       PHE  39  -2.920  -8.248  -8.248
  250   1HB   PHE  39           HB2      PHE  39  -2.749 -10.556 -10.556
  251   2HB   PHE  39           HB1      PHE  39  -3.570  -9.609  -9.609
  252    HD1  PHE  39           HD2      PHE  39  -5.921  -8.828  -8.828
  253    HD2  PHE  39           HD1      PHE  39  -3.846 -11.285 -11.285
  254    HE1  PHE  39           HE2      PHE  39  -8.085  -9.538  -9.538
  255    HE2  PHE  39           HE1      PHE  39  -6.005 -11.980 -11.980
  256    HZ   PHE  39           HZ       PHE  39  -8.132 -11.111 -11.111
  257    H    LYS  40           HN       LYS  40  -4.512  -6.597  -6.597
  258    HA   LYS  40           HA       LYS  40  -4.098  -5.213  -5.213
  259   1HB   LYS  40           HB2      LYS  40  -3.344  -3.655  -3.655
  260   2HB   LYS  40           HB1      LYS  40  -4.790  -4.061  -4.061
  261   1HG   LYS  40           HG2      LYS  40  -4.932  -1.817  -1.817
  262   2HG   LYS  40           HG1      LYS  40  -6.284  -2.912  -2.912
  263   1HD   LYS  40           HD2      LYS  40  -5.221  -3.378  -3.378
  264   2HD   LYS  40           HD1      LYS  40  -3.822  -2.350  -2.350
  265   1HE   LYS  40           HE2      LYS  40  -5.406  -1.171  -1.171
  266   2HE   LYS  40           HE1      LYS  40  -5.316  -0.333  -0.333
  267   1HZ   LYS  40           HZ1      LYS  40  -7.416  -2.295  -2.295
  268   2HZ   LYS  40           HZ3      LYS  40  -7.575  -0.607  -0.607
  269   3HZ   LYS  40           HZ2      LYS  40  -7.366  -1.334  -1.334
  270    H    VAL  41           HN       VAL  41  -5.809  -6.142  -6.142
  271    HA   VAL  41           HA       VAL  41  -8.068  -7.097  -7.097
  272    HB   VAL  41           HB       VAL  41  -8.145  -6.623  -6.623
  273   1HG1  VAL  41          HG13      VAL  41  -9.124  -8.872  -8.872
  274   2HG1  VAL  41          HG12      VAL  41  -9.390  -8.811  -8.811
  275   3HG1  VAL  41          HG11      VAL  41 -10.150  -7.572  -7.572
  276   1HG2  VAL  41          HG21      VAL  41  -6.460  -8.794  -8.794
  277   2HG2  VAL  41          HG23      VAL  41  -5.866  -7.519  -7.519
  278   3HG2  VAL  41          HG22      VAL  41  -6.944  -8.817  -8.817
  279    H    GLY  42           HN       GLY  42 -10.128  -6.064  -6.064
  280   1HA   GLY  42           HA2      GLY  42 -11.537  -4.210  -4.210
  281   2HA   GLY  42           HA1      GLY  42 -10.058  -3.180  -3.180
  282    H    HIS  43           HN       HIS  43  -8.720  -4.870  -4.870
  283    HA   HIS  43           HA       HIS  43 -10.341  -4.049  -4.049
  284   1HB   HIS  43           HB2      HIS  43  -7.352  -3.593  -3.593
  285   2HB   HIS  43           HB1      HIS  43  -8.015  -3.726  -3.726
  286    HD1  HIS  43           HD1      HIS  43  -9.562  -1.834  -1.834
  287    HD2  HIS  43           HD2      HIS  43  -7.898  -1.081  -1.081
  288    HE1  HIS  43           HE1      HIS  43  -9.792   0.646   0.646
  289    HE2  HIS  43           HE2      HIS  43  -8.816   1.056   1.056
  290    H    GLY  44           HN       GLY  44  -7.141  -5.817  -5.817
  291   1HA   GLY  44           HA2      GLY  44  -7.989  -8.302  -8.302
  292   2HA   GLY  44           HA1      GLY  44  -7.963  -7.585  -7.585
  293    H    LEU  45           HN       LEU  45  -6.135  -8.861  -8.861
  294    HA   LEU  45           HA       LEU  45  -3.672  -8.897  -8.897
  295   1HB   LEU  45           HB2      LEU  45  -4.471 -10.563 -10.563
  296   2HB   LEU  45           HB1      LEU  45  -4.474  -9.235  -9.235
  297    HG   LEU  45           HG       LEU  45  -1.950  -9.052  -9.052
  298   1HD1  LEU  45          HD11      LEU  45  -1.662 -10.174 -10.174
  299   2HD1  LEU  45          HD13      LEU  45  -2.241 -11.732 -11.732
  300   3HD1  LEU  45          HD12      LEU  45  -0.704 -10.988 -10.988
  301   1HD2  LEU  45          HD23      LEU  45  -3.025 -10.232 -10.232
  302   2HD2  LEU  45          HD22      LEU  45  -1.488 -11.032 -11.032
  303   3HD2  LEU  45          HD21      LEU  45  -3.071 -11.763 -11.763
  304    H    ALA  46           HN       ALA  46  -1.916  -7.279  -7.279
  305    HA   ALA  46           HA       ALA  46  -2.550  -4.967  -4.967
  306   1HB   ALA  46           HB2      ALA  46  -3.550  -4.553  -4.553
  307   2HB   ALA  46           HB1      ALA  46  -1.929  -4.825  -4.825
  308   3HB   ALA  46           HB3      ALA  46  -2.204  -3.421  -3.421
  309    H    CYS  47           HN       CYS  47  -0.298  -3.323  -3.323
  310    HA   CYS  47           HA       CYS  47   1.879  -5.295  -5.295
  311   1HB   CYS  47           HB2      CYS  47   1.949  -4.930  -4.930
  312   2HB   CYS  47           HB1      CYS  47   1.448  -3.230  -3.230
  313    H    TRP  48           HN       TRP  48   3.589  -4.246  -4.246
  314    HA   TRP  48           HA       TRP  48   2.533  -1.856  -1.856
  315   1HB   TRP  48           HB2      TRP  48   2.898  -3.747  -3.747
  316   2HB   TRP  48           HB1      TRP  48   4.551  -3.977  -3.977
  317    HD1  TRP  48           HD1      TRP  48   6.433  -2.054  -2.054
  318    HE1  TRP  48           HE1      TRP  48   6.490  -0.215  -0.215
  319    HE3  TRP  48           HE3      TRP  48   1.621  -2.473  -2.473
  320    HZ2  TRP  48           HZ2      TRP  48   4.716   0.772   0.772
  321    HZ3  TRP  48           HZ3      TRP  48   0.849  -1.078  -1.078
  322    HH2  TRP  48           HH2      TRP  48   2.380   0.515   0.515
  323    H    CYS  49           HN       CYS  49   4.131  -0.008  -0.008
  324    HA   CYS  49           HA       CYS  49   6.609  -0.397  -0.397
  325   1HB   CYS  49           HB2      CYS  49   4.537   1.706   1.706
  326   2HB   CYS  49           HB1      CYS  49   6.292   1.908   1.908
  327    H    ASN  50           HN       ASN  50   8.171   1.123   1.123
  328    HA   ASN  50           HA       ASN  50   7.243   2.881   2.881
  329   1HB   ASN  50           HB2      ASN  50   9.912   1.403   1.403
  330   2HB   ASN  50           HB1      ASN  50   9.878   2.977   2.977
  331   1HD2  ASN  50          HD21      ASN  50   9.485   1.148   1.148
  332   2HD2  ASN  50          HD22      ASN  50  10.612   1.993   1.993
  333    H    ALA  51           HN       ALA  51   7.775   5.002   5.002
  334    HA   ALA  51           HA       ALA  51   8.423   6.882   6.882
  335   1HB   ALA  51           HB3      ALA  51  10.734   6.129   6.129
  336   2HB   ALA  51           HB2      ALA  51  10.841   5.542   5.542
  337   3HB   ALA  51           HB1      ALA  51  10.648   7.301   7.301
  338    H    LEU  52           HN       LEU  52   6.376   6.314   6.314
  339    HA   LEU  52           HA       LEU  52   6.891   6.489   6.489
  340   1HB   LEU  52           HB2      LEU  52   4.344   6.143   6.143
  341   2HB   LEU  52           HB1      LEU  52   4.252   6.760   6.760
  342    HG   LEU  52           HG       LEU  52   5.688   4.143   4.143
  343   1HD1  LEU  52          HD13      LEU  52   2.763   4.571   4.571
  344   2HD1  LEU  52          HD12      LEU  52   3.624   2.992   2.992
  345   3HD1  LEU  52          HD11      LEU  52   3.320   3.896   3.896
  346   1HD2  LEU  52          HD23      LEU  52   6.252   5.212   5.212
  347   2HD2  LEU  52          HD22      LEU  52   5.384   3.652   3.652
  348   3HD2  LEU  52          HD21      LEU  52   4.508   5.205   5.205
  349    HA   PRO  53           HA       PRO  53   6.672  10.857  10.857
  350   1HB   PRO  53           HB2      PRO  53   5.861  10.924  10.924
  351   2HB   PRO  53           HB1      PRO  53   7.029  12.026  12.026
  352   1HG   PRO  53           HG1      PRO  53   7.957   9.965   9.965
  353   2HG   PRO  53           HG2      PRO  53   8.669  10.199  10.199
  354   1HD   PRO  53           HD1      PRO  53   6.482   8.212   8.212
  355   2HD   PRO  53           HD2      PRO  53   7.938   7.955   7.955
  356    H    ASP  54           HN       ASP  54   5.192  12.828  12.828
  357    HA   ASP  54           HA       ASP  54   2.675  12.039  12.039
  358   1HB   ASP  54           HB2      ASP  54   3.746  14.785  14.785
  359   2HB   ASP  54           HB1      ASP  54   2.235  14.518  14.518
  360    H    ASN  55           HN       ASN  55   3.816  12.547  12.547
  361    HA   ASN  55           HA       ASN  55   1.202  13.289  13.289
  362   1HB   ASN  55           HB2      ASN  55   2.346  13.337  13.337
  363   2HB   ASN  55           HB1      ASN  55   3.132  14.408  14.408
  364   1HD2  ASN  55          HD22      ASN  55   5.310  11.380  11.380
  365   2HD2  ASN  55          HD21      ASN  55   3.667  11.677  11.677
  366    H    VAL  56           HN       VAL  56   2.082  10.518  10.518
  367    HA   VAL  56           HA       VAL  56   0.987   8.884   8.884
  368    HB   VAL  56           HB       VAL  56   2.321   7.763   7.763
  369   1HG1  VAL  56          HG13      VAL  56   1.686   6.666   6.666
  370   2HG1  VAL  56          HG12      VAL  56   2.635   5.792   5.792
  371   3HG1  VAL  56          HG11      VAL  56   0.910   6.165   6.165
  372   1HG2  VAL  56          HG22      VAL  56   3.686   8.527   8.527
  373   2HG2  VAL  56          HG21      VAL  56   4.033   9.226   9.226
  374   3HG2  VAL  56          HG23      VAL  56   4.405   7.512   7.512
  375    H    GLY  57           HN       GLY  57  -0.829   7.297   7.297
  376   1HA   GLY  57           HA2      GLY  57  -2.048   8.465   8.465
  377   2HA   GLY  57           HA1      GLY  57  -2.981   8.363   8.363
  378    H    ILE  58           HN       ILE  58  -3.450   6.519   6.519
  379    HA   ILE  58           HA       ILE  58  -2.498   3.973   3.973
  380    HB   ILE  58           HB       ILE  58  -1.255   3.632   3.632
  381   1HG1  ILE  58          HG12      ILE  58  -1.405   6.703   6.703
  382   2HG1  ILE  58          HG11      ILE  58  -2.287   5.512   5.512
  383   1HG2  ILE  58          HG22      ILE  58  -0.090   4.275   4.275
  384   2HG2  ILE  58          HG21      ILE  58   0.086   5.936   5.936
  385   3HG2  ILE  58          HG23      ILE  58   0.854   4.546   4.546
  386   1HD1  ILE  58          HD11      ILE  58  -0.066   4.485   4.485
  387   2HD1  ILE  58          HD13      ILE  58   0.778   5.825   5.825
  388   3HD1  ILE  58          HD12      ILE  58  -0.304   6.192   6.192
  389    H    ILE  59           HN       ILE  59  -2.943   3.117   3.117
  390    HA   ILE  59           HA       ILE  59  -5.684   2.877   2.877
  391    HB   ILE  59           HB       ILE  59  -4.366   2.524   2.524
  392   1HG1  ILE  59          HG12      ILE  59  -2.749   1.418   1.418
  393   2HG1  ILE  59          HG11      ILE  59  -3.826   0.227   0.227
  394   1HG2  ILE  59          HG23      ILE  59  -6.653   1.165   1.165
  395   2HG2  ILE  59          HG22      ILE  59  -6.028   0.558   0.558
  396   3HG2  ILE  59          HG21      ILE  59  -6.807   2.172   2.172
  397   1HD1  ILE  59          HD13      ILE  59  -5.031   0.071   0.071
  398   2HD1  ILE  59          HD12      ILE  59  -3.519   0.896   0.896
  399   3HD1  ILE  59          HD11      ILE  59  -3.414  -0.696  -0.696
  400    H    VAL  60           HN       VAL  60  -7.417   3.834   3.834
  401    HA   VAL  60           HA       VAL  60  -7.122   5.895   5.895
  402    HB   VAL  60           HB       VAL  60  -7.024   6.479   6.479
  403   1HG1  VAL  60          HG13      VAL  60  -9.381   5.842   5.842
  404   2HG1  VAL  60          HG12      VAL  60  -9.903   7.118   7.118
  405   3HG1  VAL  60          HG11      VAL  60  -9.061   7.546   7.546
  406   1HG2  VAL  60          HG21      VAL  60  -6.137   7.850   7.850
  407   2HG2  VAL  60          HG23      VAL  60  -7.117   8.816   8.816
  408   3HG2  VAL  60          HG22      VAL  60  -7.804   8.378   8.378
  409    H    GLU  61           HN       GLU  61  -9.799   6.128   6.128
  410    HA   GLU  61           HA       GLU  61 -11.445   4.252   4.252
  411   1HB   GLU  61           HB2      GLU  61  -9.969   2.625   2.625
  412   2HB   GLU  61           HB1      GLU  61 -10.431   3.501   3.501
  413   1HG   GLU  61           HG2      GLU  61 -12.815   2.789   2.789
  414   2HG   GLU  61           HG1      GLU  61 -12.387   2.094   2.094
  415    H    GLY  62           HN       GLY  62 -13.339   4.437   4.437
  416   1HA   GLY  62           HA2      GLY  62 -14.744   5.988   5.988
  417   2HA   GLY  62           HA1      GLY  62 -13.407   7.224   7.224
  418    H    GLU  63           HN       GLU  63 -14.565   4.939   4.939
  419    HA   GLU  63           HA       GLU  63 -15.385   6.679   6.679
  420   1HB   GLU  63           HB2      GLU  63 -12.875   7.586   7.586
  421   2HB   GLU  63           HB1      GLU  63 -12.358   6.016   6.016
  422   1HG   GLU  63           HG2      GLU  63 -13.686   6.600   6.600
  423   2HG   GLU  63           HG1      GLU  63 -14.062   8.197   8.197
  424    H    LYS  64           HN       LYS  64 -13.482   4.839   4.839
  425    HA   LYS  64           HA       LYS  64 -14.053   2.233   2.233
  426   1HB   LYS  64           HB2      LYS  64 -16.493   3.261   3.261
  427   2HB   LYS  64           HB1      LYS  64 -15.901   3.456   3.456
  428   1HG   LYS  64           HG2      LYS  64 -15.481   0.881   0.881
  429   2HG   LYS  64           HG1      LYS  64 -16.184   0.855   0.855
  430   1HD   LYS  64           HD2      LYS  64 -18.328   1.797   1.797
  431   2HD   LYS  64           HD1      LYS  64 -17.604   1.801   1.801
  432   1HE   LYS  64           HE2      LYS  64 -17.338  -0.705  -0.705
  433   2HE   LYS  64           HE1      LYS  64 -18.098  -0.708  -0.708
  434   1HZ   LYS  64           HZ1      LYS  64 -20.080   0.248   0.248
  435   2HZ   LYS  64           HZ3      LYS  64 -19.363   0.223   0.223
  436   3HZ   LYS  64           HZ2      LYS  64 -19.670  -1.235  -1.235
  437    H    CYS  65           HN       CYS  65 -14.261   1.956   1.956
  438    HA   CYS  65           HA       CYS  65 -11.822   3.394   3.394
  439   1HB   CYS  65           HB2      CYS  65 -11.666   0.858   0.858
  440   2HB   CYS  65           HB1      CYS  65 -13.104   0.895   0.895
  441    H    HIS  66           HN       HIS  66 -12.100   4.332   4.332
  442    HA   HIS  66           HA       HIS  66 -14.827   4.458   4.458
  443   1HB   HIS  66           HB2      HIS  66 -14.692   7.006   7.006
  444   2HB   HIS  66           HB1      HIS  66 -14.921   6.437   6.437
  445    HD1  HIS  66           HD1      HIS  66 -12.301   8.093   8.093
  446    HD2  HIS  66           HD2      HIS  66 -12.853   6.905   6.905
  447    HE1  HIS  66           HE1      HIS  66 -10.415   9.101   9.101
  448    HE2  HIS  66           HE2      HIS  66 -10.804   8.385   8.385
  449    H    SER  67           HN       SER  67 -14.209   6.297   6.297
  450    HA   SER  67           HA       SER  67 -11.690   5.962   5.962
  451   1HB   SER  67           HB2      SER  67 -13.968   4.175   4.175
  452   2HB   SER  67           HB1      SER  67 -12.475   4.611   4.611
  453    HG   SER  67           HG       SER  67 -12.235   3.475   3.475
  454   1HN   NH2  68           H1       NH2  68 -12.196   7.093   7.093
  455   2HN   NH2  68           H2       NH2  68 -13.534   8.195   8.195

  Start of MODEL   20
    1   1H    VAL   1           HT2      VAL   1   7.099  12.504  12.504
    2   2H    VAL   1           HT1      VAL   1   8.162  11.540  11.540
    3   3H    VAL   1           HT3      VAL   1   8.606  12.052  12.052
    4    HA   VAL   1           HA       VAL   1   6.834  10.800  10.800
    5    HB   VAL   1           HB       VAL   1   7.699   8.454   8.454
    6   1HG1  VAL   1          HG13      VAL   1   8.832   9.816   9.816
    7   2HG1  VAL   1          HG12      VAL   1   9.883  10.574  10.574
    8   3HG1  VAL   1          HG11      VAL   1   9.996   8.808   8.808
    9   1HG2  VAL   1          HG23      VAL   1   8.074   8.790   8.790
   10   2HG2  VAL   1          HG22      VAL   1   9.528   8.176   8.176
   11   3HG2  VAL   1          HG21      VAL   1   9.446   9.909   9.909
   12    H    ARG   2           HN       ARG   2   5.440   8.793   8.793
   13    HA   ARG   2           HA       ARG   2   4.205   8.732   8.732
   14   1HB   ARG   2           HB2      ARG   2   3.235   7.161   7.161
   15   2HB   ARG   2           HB1      ARG   2   2.451   7.290   7.290
   16   1HG   ARG   2           HG2      ARG   2   1.079   8.443   8.443
   17   2HG   ARG   2           HG1      ARG   2   1.997   9.784   9.784
   18   1HD   ARG   2           HD2      ARG   2   3.062  10.362  10.362
   19   2HD   ARG   2           HD1      ARG   2   3.010   8.654   8.654
   20    HE   ARG   2           HE       ARG   2   0.928   8.990   8.990
   21   1HH1  ARG   2          HH11      ARG   2   1.501  11.741  11.741
   22   2HH1  ARG   2          HH12      ARG   2   0.210  12.684  12.684
   23   1HH2  ARG   2          HH21      ARG   2  -0.765  10.273  10.273
   24   2HH2  ARG   2          HH22      ARG   2  -1.091  11.845  11.845
   25    H    ASP   3           HN       ASP   3   3.778   6.142   6.142
   26    HA   ASP   3           HA       ASP   3   5.596   4.512   4.512
   27   1HB   ASP   3           HB2      ASP   3   4.792   3.972   3.972
   28   2HB   ASP   3           HB1      ASP   3   5.619   2.824   2.824
   29    H    GLY   4           HN       GLY   4   4.021   2.563   2.563
   30   1HA   GLY   4           HA2      GLY   4   1.357   3.076   3.076
   31   2HA   GLY   4           HA1      GLY   4   1.697   3.628   3.628
   32    H    TYR   5           HN       TYR   5  -0.210   1.668   1.668
   33    HA   TYR   5           HA       TYR   5   1.032  -0.699  -0.699
   34   1HB   TYR   5           HB2      TYR   5  -1.691  -0.063  -0.063
   35   2HB   TYR   5           HB1      TYR   5  -1.683  -1.164  -1.164
   36    HD1  TYR   5           HD1      TYR   5   0.015  -3.093  -3.093
   37    HD2  TYR   5           HD2      TYR   5  -1.252  -1.034  -1.034
   38    HE1  TYR   5           HE1      TYR   5   0.805  -4.982  -4.982
   39    HE2  TYR   5           HE2      TYR   5  -0.540  -2.951  -2.951
   40    HH   TYR   5           HH       TYR   5   0.619  -4.926  -4.926
   41    H    ILE   6           HN       ILE   6   1.232  -0.519  -0.519
   42    HA   ILE   6           HA       ILE   6   0.478   2.049   2.049
   43    HB   ILE   6           HB       ILE   6   2.721   1.154   1.154
   44   1HG1  ILE   6          HG12      ILE   6   0.892   1.736   1.736
   45   2HG1  ILE   6          HG11      ILE   6   1.686   2.945   2.945
   46   1HG2  ILE   6          HG23      ILE   6   2.004  -1.230  -1.230
   47   2HG2  ILE   6          HG22      ILE   6   1.312  -0.825  -0.825
   48   3HG2  ILE   6          HG21      ILE   6   3.077  -0.633  -0.633
   49   1HD1  ILE   6          HD13      ILE   6   3.955   2.063   2.063
   50   2HD1  ILE   6          HD12      ILE   6   3.119   0.936   0.936
   51   3HD1  ILE   6          HD11      ILE   6   2.954   2.711   2.711
   52    H    ALA   7           HN       ALA   7  -1.056   2.402   2.402
   53    HA   ALA   7           HA       ALA   7  -2.791   0.178   0.178
   54   1HB   ALA   7           HB3      ALA   7  -3.833   1.711   1.711
   55   2HB   ALA   7           HB2      ALA   7  -3.639   3.080   3.080
   56   3HB   ALA   7           HB1      ALA   7  -4.741   1.733   1.733
   57    H    GLN   8           HN       GLN   8  -4.509   1.489   1.489
   58    HA   GLN   8           HA       GLN   8  -3.056   2.960   2.960
   59   1HB   GLN   8           HB2      GLN   8  -5.813   1.532   1.532
   60   2HB   GLN   8           HB1      GLN   8  -5.138   2.461   2.461
   61   1HG   GLN   8           HG2      GLN   8  -3.360   0.836   0.836
   62   2HG   GLN   8           HG1      GLN   8  -3.702  -0.005  -0.005
   63   1HE2  GLN   8          HE22      GLN   8  -6.773  -1.562  -1.562
   64   2HE2  GLN   8          HE21      GLN   8  -5.941  -0.978  -0.978
   65    HA   PRO   9           HA       PRO   9  -4.504   5.811   5.811
   66   1HB   PRO   9           HB2      PRO   9  -4.886   8.203   8.203
   67   2HB   PRO   9           HB1      PRO   9  -3.288   7.399   7.399
   68   1HG   PRO   9           HG1      PRO   9  -5.179   7.068   7.068
   69   2HG   PRO   9           HG2      PRO   9  -3.412   7.476   7.476
   70   1HD   PRO   9           HD1      PRO   9  -4.234   4.876   4.876
   71   2HD   PRO   9           HD2      PRO   9  -2.821   5.236   5.236
   72    H    GLU  10           HN       GLU  10  -6.982   4.657   4.657
   73    HA   GLU  10           HA       GLU  10  -8.848   6.837   6.837
   74   1HB   GLU  10           HB2      GLU  10  -9.029   4.239   4.239
   75   2HB   GLU  10           HB1      GLU  10 -10.253   5.543   5.543
   76   1HG   GLU  10           HG2      GLU  10  -8.483   7.166   7.166
   77   2HG   GLU  10           HG1      GLU  10  -7.349   5.769   5.769
   78    H    ASN  11           HN       ASN  11  -8.064   5.667   5.667
   79    HA   ASN  11           HA       ASN  11  -8.767   4.837   4.837
   80   1HB   ASN  11           HB2      ASN  11 -10.941   6.092   6.092
   81   2HB   ASN  11           HB1      ASN  11 -11.598   4.533   4.533
   82   1HD2  ASN  11          HD22      ASN  11 -12.161   3.172   3.172
   83   2HD2  ASN  11          HD21      ASN  11 -11.466   2.728   2.728
   84    H    CYS  12           HN       CYS  12  -7.281   2.999   2.999
   85    HA   CYS  12           HA       CYS  12  -8.912   0.569   0.569
   86   1HB   CYS  12           HB2      CYS  12  -8.060   1.774   1.774
   87   2HB   CYS  12           HB1      CYS  12  -6.925   0.553   0.553
   88    H    VAL  13           HN       VAL  13  -6.828  -1.088  -1.088
   89    HA   VAL  13           HA       VAL  13  -4.631  -0.780  -0.780
   90    HB   VAL  13           HB       VAL  13  -4.529  -3.325  -3.325
   91   1HG1  VAL  13          HG12      VAL  13  -6.913  -1.889  -1.889
   92   2HG1  VAL  13          HG11      VAL  13  -6.256  -3.504  -3.504
   93   3HG1  VAL  13          HG13      VAL  13  -5.231  -2.048  -2.048
   94   1HG2  VAL  13          HG22      VAL  13  -6.082  -3.825  -3.825
   95   2HG2  VAL  13          HG21      VAL  13  -6.570  -4.632  -4.632
   96   3HG2  VAL  13          HG23      VAL  13  -7.465  -3.169  -3.169
   97    H    TYR  14           HN       TYR  14  -3.244  -2.970  -2.970
   98    HA   TYR  14           HA       TYR  14  -3.479  -2.411  -2.411
   99   1HB   TYR  14           HB2      TYR  14  -1.128  -1.701  -1.701
  100   2HB   TYR  14           HB1      TYR  14  -0.698  -3.087  -3.087
  101    HD1  TYR  14           HD2      TYR  14  -1.988  -2.611  -2.611
  102    HD2  TYR  14           HD1      TYR  14   0.012   0.100   0.100
  103    HE1  TYR  14           HE2      TYR  14  -1.423  -1.166  -1.166
  104    HE2  TYR  14           HE1      TYR  14   0.621   1.536   1.536
  105    HH   TYR  14           HH       TYR  14  -0.510   0.839   0.839
  106    H    HIS  15           HN       HIS  15  -2.875  -4.700  -4.700
  107    HA   HIS  15           HA       HIS  15  -3.297  -6.591  -6.591
  108   1HB   HIS  15           HB2      HIS  15  -3.823  -6.864  -6.864
  109   2HB   HIS  15           HB1      HIS  15  -3.809  -8.251  -8.251
  110    HD1  HIS  15           HD1      HIS  15  -6.476  -7.680  -7.680
  111    HD2  HIS  15           HD2      HIS  15  -5.318  -5.891  -5.891
  112    HE1  HIS  15           HE1      HIS  15  -8.591  -6.994  -6.994
  113    HE2  HIS  15           HE2      HIS  15  -7.845  -5.928  -5.928
  114    H    CYS  16           HN       CYS  16  -1.610  -7.662  -7.662
  115    HA   CYS  16           HA       CYS  16   0.873  -7.536  -7.536
  116   1HB   CYS  16           HB2      CYS  16   0.680  -7.296  -7.296
  117   2HB   CYS  16           HB1      CYS  16   0.123  -8.982  -8.982
  118    H    PHE  17           HN       PHE  17   1.971  -9.530  -9.530
  119    HA   PHE  17           HA       PHE  17   0.132 -11.669 -11.669
  120   1HB   PHE  17           HB2      PHE  17   3.036 -11.173 -11.173
  121   2HB   PHE  17           HB1      PHE  17   1.866 -12.373 -12.373
  122    HD1  PHE  17           HD1      PHE  17  -0.174 -11.535 -11.535
  123    HD2  PHE  17           HD2      PHE  17   2.934  -8.853  -8.853
  124    HE1  PHE  17           HE1      PHE  17  -1.001  -9.806  -9.806
  125    HE2  PHE  17           HE2      PHE  17   2.069  -7.112  -7.112
  126    HZ   PHE  17           HZ       PHE  17   0.111  -7.591  -7.591
  127    HA   PRO  18           HA       PRO  18   1.951 -12.707 -12.707
  128   1HB   PRO  18           HB2      PRO  18   1.376 -15.601 -15.601
  129   2HB   PRO  18           HB1      PRO  18   0.476 -14.258 -14.258
  130   1HG   PRO  18           HG1      PRO  18   0.050 -15.527 -15.527
  131   2HG   PRO  18           HG2      PRO  18  -1.200 -14.868 -14.868
  132   1HD   PRO  18           HD1      PRO  18  -0.476 -13.464 -13.464
  133   2HD   PRO  18           HD2      PRO  18  -0.646 -12.574 -12.574
  134    H    GLY  19           HN       GLY  19   4.099 -12.395 -12.395
  135   1HA   GLY  19           HA2      GLY  19   5.962 -14.341 -14.341
  136   2HA   GLY  19           HA1      GLY  19   5.889 -13.846 -13.846
  137    H    SER  20           HN       SER  20   5.084 -11.398 -11.398
  138    HA   SER  20           HA       SER  20   5.134  -9.367  -9.367
  139   1HB   SER  20           HB2      SER  20   8.184  -9.782  -9.782
  140   2HB   SER  20           HB1      SER  20   7.316  -8.233  -8.233
  141    HG   SER  20           HG       SER  20   7.092 -10.712 -10.712
  142    H    SER  21           HN       SER  21   7.282 -10.962 -10.962
  143    HA   SER  21           HA       SER  21   8.796  -9.197  -9.197
  144   1HB   SER  21           HB2      SER  21   7.462 -11.047 -11.047
  145   2HB   SER  21           HB1      SER  21   9.201 -10.573 -10.573
  146    HG   SER  21           HG       SER  21   8.932 -12.588 -12.588
  147    H    GLY  22           HN       GLY  22   5.664  -9.426  -9.426
  148   1HA   GLY  22           HA2      GLY  22   6.477  -7.388  -7.388
  149   2HA   GLY  22           HA1      GLY  22   4.810  -8.020  -8.020
  150    H    CYS  23           HN       CYS  23   4.798  -7.313  -7.313
  151    HA   CYS  23           HA       CYS  23   3.937  -4.578  -4.578
  152   1HB   CYS  23           HB2      CYS  23   2.501  -6.352  -6.352
  153   2HB   CYS  23           HB1      CYS  23   3.609  -6.121  -6.121
  154    H    ASP  24           HN       ASP  24   6.526  -6.431  -6.431
  155    HA   ASP  24           HA       ASP  24   7.594  -4.407  -4.407
  156   1HB   ASP  24           HB2      ASP  24   8.304  -6.889  -6.889
  157   2HB   ASP  24           HB1      ASP  24   9.257  -6.516  -6.516
  158    H    THR  25           HN       THR  25   8.074  -5.251  -5.251
  159    HA   THR  25           HA       THR  25   9.697  -3.017  -3.017
  160    HB   THR  25           HB       THR  25   8.651  -3.285  -3.285
  161    HG1  THR  25           HG1      THR  25   7.055  -4.859  -4.859
  162   1HG2  THR  25          HG23      THR  25  10.524  -5.288  -5.288
  163   2HG2  THR  25          HG22      THR  25  10.424  -5.033  -5.033
  164   3HG2  THR  25          HG21      THR  25  11.011  -3.704  -3.704
  165    H    LEU  26           HN       LEU  26   6.100  -3.196  -3.196
  166    HA   LEU  26           HA       LEU  26   5.721  -0.580  -0.580
  167   1HB   LEU  26           HB2      LEU  26   4.055  -2.188  -2.188
  168   2HB   LEU  26           HB1      LEU  26   3.562  -0.598  -0.598
  169    HG   LEU  26           HG       LEU  26   4.045  -3.079  -3.079
  170   1HD1  LEU  26          HD13      LEU  26   1.440  -1.846  -1.846
  171   2HD1  LEU  26          HD12      LEU  26   1.545  -3.166  -3.166
  172   3HD1  LEU  26          HD11      LEU  26   2.127  -3.443  -3.443
  173   1HD2  LEU  26          HD21      LEU  26   2.845  -0.297  -0.297
  174   2HD2  LEU  26          HD23      LEU  26   4.345  -1.014  -1.014
  175   3HD2  LEU  26          HD22      LEU  26   2.741  -1.721  -1.721
  176    H    CYS  27           HN       CYS  27   6.219  -1.879  -1.879
  177    HA   CYS  27           HA       CYS  27   6.097   0.500   0.500
  178   1HB   CYS  27           HB2      CYS  27   6.316  -1.883  -1.883
  179   2HB   CYS  27           HB1      CYS  27   8.072  -1.784  -1.784
  180    H    LYS  28           HN       LYS  28   9.012  -1.020  -1.020
  181    HA   LYS  28           HA       LYS  28  10.802   0.947   0.947
  182   1HB   LYS  28           HB2      LYS  28  10.750  -0.737  -0.737
  183   2HB   LYS  28           HB1      LYS  28  12.149   0.260   0.260
  184   1HG   LYS  28           HG2      LYS  28  10.988  -2.122  -2.122
  185   2HG   LYS  28           HG1      LYS  28  12.415  -2.189  -2.189
  186   1HD   LYS  28           HD2      LYS  28  12.145  -0.512  -0.512
  187   2HD   LYS  28           HD1      LYS  28  12.953  -2.098  -2.098
  188   1HE   LYS  28           HE2      LYS  28  13.886   0.478   0.478
  189   2HE   LYS  28           HE1      LYS  28  14.594  -0.224  -0.224
  190   1HZ   LYS  28           HZ2      LYS  28  15.058  -2.249  -2.249
  191   2HZ   LYS  28           HZ1      LYS  28  14.509  -1.500  -1.500
  192   3HZ   LYS  28           HZ3      LYS  28  15.864  -0.880  -0.880
  193    H    GLU  29           HN       GLU  29   8.797   0.834   0.834
  194    HA   GLU  29           HA       GLU  29  10.065   3.153   3.153
  195   1HB   GLU  29           HB2      GLU  29   8.401   3.219   3.219
  196   2HB   GLU  29           HB1      GLU  29   9.028   1.555   1.555
  197   1HG   GLU  29           HG2      GLU  29   6.962   0.964   0.964
  198   2HG   GLU  29           HG1      GLU  29   6.317   2.631   2.631
  199    H    LYS  30           HN       LYS  30   7.482   2.824   2.824
  200    HA   LYS  30           HA       LYS  30   6.696   5.619   5.619
  201   1HB   LYS  30           HB2      LYS  30   5.569   3.514   3.514
  202   2HB   LYS  30           HB1      LYS  30   4.964   5.198   5.198
  203   1HG   LYS  30           HG2      LYS  30   4.951   3.040   3.040
  204   2HG   LYS  30           HG1      LYS  30   3.554   3.534   3.534
  205   1HD   LYS  30           HD2      LYS  30   3.748   5.887   5.887
  206   2HD   LYS  30           HD1      LYS  30   5.011   5.306   5.306
  207   1HE   LYS  30           HE2      LYS  30   2.096   4.265   4.265
  208   2HE   LYS  30           HE1      LYS  30   2.766   5.368   5.368
  209   1HZ   LYS  30           HZ1      LYS  30   3.671   2.587   2.587
  210   2HZ   LYS  30           HZ3      LYS  30   2.666   3.093   3.093
  211   3HZ   LYS  30           HZ2      LYS  30   4.278   3.619   3.619
  212    H    GLY  31           HN       GLY  31   9.217   4.032   4.032
  213   1HA   GLY  31           HA2      GLY  31  10.775   5.201   5.201
  214   2HA   GLY  31           HA1      GLY  31   9.581   6.460   6.460
  215    H    GLY  32           HN       GLY  32   8.746   3.077   3.077
  216   1HA   GLY  32           HA2      GLY  32   9.267   3.445   3.445
  217   2HA   GLY  32           HA1      GLY  32   8.414   2.103   2.103
  218    H    THR  33           HN       THR  33  11.205   2.754   2.754
  219    HA   THR  33           HA       THR  33  13.169   1.762   1.762
  220    HB   THR  33           HB       THR  33  14.226   1.786   1.786
  221    HG1  THR  33           HG1      THR  33  13.061   3.197   3.197
  222   1HG2  THR  33          HG21      THR  33  14.823   3.295   3.295
  223   2HG2  THR  33          HG23      THR  33  13.368   4.305   4.305
  224   3HG2  THR  33          HG22      THR  33  14.697   4.222   4.222
  225    H    SER  34           HN       SER  34  11.528   0.623   0.623
  226    HA   SER  34           HA       SER  34  12.212  -2.148  -2.148
  227   1HB   SER  34           HB2      SER  34  11.406  -1.155  -1.155
  228   2HB   SER  34           HB1      SER  34  12.201  -2.711  -2.711
  229    HG   SER  34           HG       SER  34  14.042  -1.497  -1.497
  230    H    GLY  35           HN       GLY  35  10.302  -3.720  -3.720
  231   1HA   GLY  35           HA2      GLY  35   7.844  -2.606  -2.606
  232   2HA   GLY  35           HA1      GLY  35   8.116  -2.925  -2.925
  233    H    HIS  36           HN       HIS  36   6.344  -4.680  -4.680
  234    HA   HIS  36           HA       HIS  36   7.466  -7.079  -7.079
  235   1HB   HIS  36           HB2      HIS  36   6.907  -8.307  -8.307
  236   2HB   HIS  36           HB1      HIS  36   8.337  -7.264  -7.264
  237    HD1  HIS  36           HD1      HIS  36   7.746  -4.854  -4.854
  238    HD2  HIS  36           HD2      HIS  36   4.988  -7.971  -7.971
  239    HE1  HIS  36           HE1      HIS  36   6.341  -4.286  -4.286
  240    HE2  HIS  36           HE2      HIS  36   4.702  -6.212  -6.212
  241    H    CYS  37           HN       CYS  37   5.085  -8.464  -8.464
  242    HA   CYS  37           HA       CYS  37   2.948  -6.528  -6.528
  243   1HB   CYS  37           HB2      CYS  37   3.162  -9.427  -9.427
  244   2HB   CYS  37           HB1      CYS  37   1.665  -8.425  -8.425
  245    H    GLY  38           HN       GLY  38   0.874  -7.281  -7.281
  246   1HA   GLY  38           HA2      GLY  38   1.099  -9.288  -9.288
  247   2HA   GLY  38           HA1      GLY  38   1.627  -7.681  -7.681
  248    H    PHE  39           HN       PHE  39  -0.841  -8.515  -8.515
  249    HA   PHE  39           HA       PHE  39  -2.638  -6.724  -6.724
  250   1HB   PHE  39           HB2      PHE  39  -3.301  -8.897  -8.897
  251   2HB   PHE  39           HB1      PHE  39  -3.197  -9.723  -9.723
  252    HD1  PHE  39           HD1      PHE  39  -5.210  -7.199  -7.199
  253    HD2  PHE  39           HD2      PHE  39  -4.991  -9.628  -9.628
  254    HE1  PHE  39           HE1      PHE  39  -7.636  -6.912  -6.912
  255    HE2  PHE  39           HE2      PHE  39  -7.416  -9.320  -9.320
  256    HZ   PHE  39           HZ       PHE  39  -8.749  -7.980  -7.980
  257    H    LYS  40           HN       LYS  40  -3.359  -5.508  -5.508
  258    HA   LYS  40           HA       LYS  40  -4.812  -6.703  -6.703
  259   1HB   LYS  40           HB2      LYS  40  -2.563  -4.745  -4.745
  260   2HB   LYS  40           HB1      LYS  40  -4.073  -4.978  -4.978
  261   1HG   LYS  40           HG2      LYS  40  -2.007  -7.186  -7.186
  262   2HG   LYS  40           HG1      LYS  40  -2.092  -6.206  -6.206
  263   1HD   LYS  40           HD2      LYS  40  -4.249  -7.093  -7.093
  264   2HD   LYS  40           HD1      LYS  40  -4.486  -7.908  -7.908
  265   1HE   LYS  40           HE2      LYS  40  -2.267  -8.680  -8.680
  266   2HE   LYS  40           HE1      LYS  40  -3.869  -9.515  -9.515
  267   1HZ   LYS  40           HZ2      LYS  40  -1.844  -9.211  -9.211
  268   2HZ   LYS  40           HZ1      LYS  40  -2.102 -10.604 -10.604
  269   3HZ   LYS  40           HZ3      LYS  40  -3.321 -10.038 -10.038
  270    H    VAL  41           HN       VAL  41  -6.342  -5.856  -5.856
  271    HA   VAL  41           HA       VAL  41  -6.379  -3.023  -3.023
  272    HB   VAL  41           HB       VAL  41  -6.616  -4.725  -4.725
  273   1HG1  VAL  41          HG12      VAL  41  -5.775  -1.815  -1.815
  274   2HG1  VAL  41          HG11      VAL  41  -5.793  -2.548  -2.548
  275   3HG1  VAL  41          HG13      VAL  41  -7.340  -2.339  -2.339
  276   1HG2  VAL  41          HG22      VAL  41  -3.926  -3.665  -3.665
  277   2HG2  VAL  41          HG21      VAL  41  -4.383  -5.392  -5.392
  278   3HG2  VAL  41          HG23      VAL  41  -4.234  -4.233  -4.233
  279    H    GLY  42           HN       GLY  42  -8.689  -2.942  -2.942
  280   1HA   GLY  42           HA2      GLY  42 -10.369  -5.198  -5.198
  281   2HA   GLY  42           HA1      GLY  42 -10.812  -3.457  -3.457
  282    H    HIS  43           HN       HIS  43  -8.936  -4.453  -4.453
  283    HA   HIS  43           HA       HIS  43 -11.325  -4.296  -4.296
  284   1HB   HIS  43           HB2      HIS  43  -8.455  -3.297  -3.297
  285   2HB   HIS  43           HB1      HIS  43  -9.576  -3.659  -3.659
  286    HD1  HIS  43           HD1      HIS  43  -8.397  -0.858  -0.858
  287    HD2  HIS  43           HD2      HIS  43 -12.223  -2.061  -2.061
  288    HE1  HIS  43           HE1      HIS  43  -9.843   1.198   1.198
  289    HE2  HIS  43           HE2      HIS  43 -12.159   0.438   0.438
  290    H    GLY  44           HN       GLY  44  -7.753  -5.362  -5.362
  291   1HA   GLY  44           HA2      GLY  44  -8.376  -8.025  -8.025
  292   2HA   GLY  44           HA1      GLY  44  -8.270  -7.342  -7.342
  293    H    LEU  45           HN       LEU  45  -6.068  -8.629  -8.629
  294    HA   LEU  45           HA       LEU  45  -4.128  -7.636  -7.636
  295   1HB   LEU  45           HB2      LEU  45  -2.991  -9.457  -9.457
  296   2HB   LEU  45           HB1      LEU  45  -4.371  -9.933  -9.933
  297    HG   LEU  45           HG       LEU  45  -2.077  -8.448  -8.448
  298   1HD1  LEU  45          HD13      LEU  45  -1.247 -10.592 -10.592
  299   2HD1  LEU  45          HD12      LEU  45  -2.628 -11.479 -11.479
  300   3HD1  LEU  45          HD11      LEU  45  -1.389 -10.693 -10.693
  301   1HD2  LEU  45          HD23      LEU  45  -4.299  -8.335  -8.335
  302   2HD2  LEU  45          HD22      LEU  45  -3.107  -9.379  -9.379
  303   3HD2  LEU  45          HD21      LEU  45  -4.427 -10.129 -10.129
  304    H    ALA  46           HN       ALA  46  -2.043  -6.478  -6.478
  305    HA   ALA  46           HA       ALA  46  -2.481  -4.413  -4.413
  306   1HB   ALA  46           HB3      ALA  46  -2.154  -3.916  -3.916
  307   2HB   ALA  46           HB2      ALA  46  -2.148  -2.640  -2.640
  308   3HB   ALA  46           HB1      ALA  46  -3.645  -3.565  -3.565
  309    H    CYS  47           HN       CYS  47  -0.159  -2.958  -2.958
  310    HA   CYS  47           HA       CYS  47   1.778  -5.132  -5.132
  311   1HB   CYS  47           HB2      CYS  47   2.605  -3.051  -3.051
  312   2HB   CYS  47           HB1      CYS  47   3.241  -4.683  -4.683
  313    H    TRP  48           HN       TRP  48   3.852  -4.143  -4.143
  314    HA   TRP  48           HA       TRP  48   2.967  -1.729  -1.729
  315   1HB   TRP  48           HB2      TRP  48   3.509  -3.665  -3.665
  316   2HB   TRP  48           HB1      TRP  48   5.089  -3.862  -3.862
  317    HD1  TRP  48           HD1      TRP  48   7.133  -2.445  -2.445
  318    HE1  TRP  48           HE1      TRP  48   7.305  -0.854  -0.854
  319    HE3  TRP  48           HE3      TRP  48   2.146  -1.669  -1.669
  320    HZ2  TRP  48           HZ2      TRP  48   5.517   0.753   0.753
  321    HZ3  TRP  48           HZ3      TRP  48   1.432  -0.075  -0.075
  322    HH2  TRP  48           HH2      TRP  48   3.100   1.129   1.129
  323    H    CYS  49           HN       CYS  49   4.464   0.060   0.060
  324    HA   CYS  49           HA       CYS  49   7.008  -0.351  -0.351
  325   1HB   CYS  49           HB2      CYS  49   5.022   1.930   1.930
  326   2HB   CYS  49           HB1      CYS  49   6.776   2.007   2.007
  327    H    ASN  50           HN       ASN  50   8.538   0.834   0.834
  328    HA   ASN  50           HA       ASN  50   7.418   1.774   1.774
  329   1HB   ASN  50           HB2      ASN  50   9.214  -0.209  -0.209
  330   2HB   ASN  50           HB1      ASN  50  10.387   1.150   1.150
  331   1HD2  ASN  50          HD22      ASN  50   9.593   1.973   1.973
  332   2HD2  ASN  50          HD21      ASN  50   9.822   2.767   2.767
  333    H    ALA  51           HN       ALA  51   7.867   3.408   3.408
  334    HA   ALA  51           HA       ALA  51   8.258   5.803   5.803
  335   1HB   ALA  51           HB1      ALA  51  10.315   4.921   4.921
  336   2HB   ALA  51           HB3      ALA  51   9.995   6.629   6.629
  337   3HB   ALA  51           HB2      ALA  51  10.753   5.482   5.482
  338    H    LEU  52           HN       LEU  52   6.757   6.944   6.944
  339    HA   LEU  52           HA       LEU  52   7.149   6.309   6.309
  340   1HB   LEU  52           HB2      LEU  52   4.341   6.194   6.194
  341   2HB   LEU  52           HB1      LEU  52   4.567   6.722   6.722
  342    HG   LEU  52           HG       LEU  52   5.501   4.025   4.025
  343   1HD1  LEU  52          HD11      LEU  52   3.050   4.205   4.205
  344   2HD1  LEU  52          HD13      LEU  52   2.924   4.637   4.637
  345   3HD1  LEU  52          HD12      LEU  52   3.558   3.020   3.020
  346   1HD2  LEU  52          HD22      LEU  52   5.212   5.051   5.051
  347   2HD2  LEU  52          HD21      LEU  52   6.742   4.695   4.695
  348   3HD2  LEU  52          HD23      LEU  52   5.623   3.358   3.358
  349    HA   PRO  53           HA       PRO  53   6.841  10.649  10.649
  350   1HB   PRO  53           HB2      PRO  53   6.817  11.747  11.747
  351   2HB   PRO  53           HB1      PRO  53   8.293  11.186  11.186
  352   1HG   PRO  53           HG1      PRO  53   6.730   9.778   9.778
  353   2HG   PRO  53           HG2      PRO  53   8.501   9.739   9.739
  354   1HD   PRO  53           HD1      PRO  53   6.591   7.748   7.748
  355   2HD   PRO  53           HD2      PRO  53   8.235   7.944   7.944
  356    H    ASP  54           HN       ASP  54   5.415  12.590  12.590
  357    HA   ASP  54           HA       ASP  54   2.877  11.735  11.735
  358   1HB   ASP  54           HB2      ASP  54   3.943  14.520  14.520
  359   2HB   ASP  54           HB1      ASP  54   2.346  14.199  14.199
  360    H    ASN  55           HN       ASN  55   4.034  11.896  11.896
  361    HA   ASN  55           HA       ASN  55   1.555  12.935  12.935
  362   1HB   ASN  55           HB2      ASN  55   2.650  12.662  12.662
  363   2HB   ASN  55           HB1      ASN  55   3.664  13.651  13.651
  364   1HD2  ASN  55          HD21      ASN  55   5.309  10.345  10.345
  365   2HD2  ASN  55          HD22      ASN  55   3.926  11.194  11.194
  366    H    VAL  56           HN       VAL  56   2.648   9.986   9.986
  367    HA   VAL  56           HA       VAL  56   1.336   8.402   8.402
  368    HB   VAL  56           HB       VAL  56   2.859   7.298   7.298
  369   1HG1  VAL  56          HG12      VAL  56   2.338   6.316   6.316
  370   2HG1  VAL  56          HG11      VAL  56   3.220   5.408   5.408
  371   3HG1  VAL  56          HG13      VAL  56   1.469   5.747   5.747
  372   1HG2  VAL  56          HG22      VAL  56   4.037   8.494   8.494
  373   2HG2  VAL  56          HG21      VAL  56   4.444   8.911   8.911
  374   3HG2  VAL  56          HG23      VAL  56   4.913   7.314   7.314
  375    H    GLY  57           HN       GLY  57  -0.703   7.502   7.502
  376   1HA   GLY  57           HA2      GLY  57  -1.654   8.249   8.249
  377   2HA   GLY  57           HA1      GLY  57  -2.645   7.852   7.852
  378    H    ILE  58           HN       ILE  58  -3.166   6.499   6.499
  379    HA   ILE  58           HA       ILE  58  -2.161   3.874   3.874
  380    HB   ILE  58           HB       ILE  58  -1.356   3.753   3.753
  381   1HG1  ILE  58          HG12      ILE  58  -1.546   6.832   6.832
  382   2HG1  ILE  58          HG11      ILE  58  -2.575   5.739   5.739
  383   1HG2  ILE  58          HG21      ILE  58   0.179   4.160   4.160
  384   2HG2  ILE  58          HG23      ILE  58   0.251   5.872   5.872
  385   3HG2  ILE  58          HG22      ILE  58   0.874   4.579   4.579
  386   1HD1  ILE  58          HD11      ILE  58  -0.480   4.873   4.873
  387   2HD1  ILE  58          HD13      ILE  58   0.489   6.089   6.089
  388   3HD1  ILE  58          HD12      ILE  58  -0.768   6.640   6.640
  389    H    ILE  59           HN       ILE  59  -3.146   3.012   3.012
  390    HA   ILE  59           HA       ILE  59  -5.806   2.780   2.780
  391    HB   ILE  59           HB       ILE  59  -4.970   2.415   2.415
  392   1HG1  ILE  59          HG12      ILE  59  -3.060   1.440   1.440
  393   2HG1  ILE  59          HG11      ILE  59  -4.167   0.176   0.176
  394   1HG2  ILE  59          HG21      ILE  59  -6.843   0.888   0.888
  395   2HG2  ILE  59          HG23      ILE  59  -6.528   0.453   0.453
  396   3HG2  ILE  59          HG22      ILE  59  -7.347   2.003   2.003
  397   1HD1  ILE  59          HD12      ILE  59  -5.011   0.163   0.163
  398   2HD1  ILE  59          HD11      ILE  59  -3.331   0.764   0.764
  399   3HD1  ILE  59          HD13      ILE  59  -3.598  -0.798  -0.798
  400    H    VAL  60           HN       VAL  60  -7.700   3.861   3.861
  401    HA   VAL  60           HA       VAL  60  -7.345   6.149   6.149
  402    HB   VAL  60           HB       VAL  60  -9.190   5.921   5.921
  403   1HG1  VAL  60          HG13      VAL  60 -10.173   7.333   7.333
  404   2HG1  VAL  60          HG12      VAL  60  -8.653   8.303   8.303
  405   3HG1  VAL  60          HG11      VAL  60  -9.700   8.320   8.320
  406   1HG2  VAL  60          HG21      VAL  60  -6.576   7.483   7.483
  407   2HG2  VAL  60          HG23      VAL  60  -6.888   6.157   6.157
  408   3HG2  VAL  60          HG22      VAL  60  -7.725   7.726   7.726
  409    H    GLU  61           HN       GLU  61 -10.456   4.949   4.949
  410    HA   GLU  61           HA       GLU  61 -11.964   3.663   3.663
  411   1HB   GLU  61           HB2      GLU  61 -10.320   1.941   1.941
  412   2HB   GLU  61           HB1      GLU  61 -10.154   2.396   2.396
  413   1HG   GLU  61           HG2      GLU  61 -12.634   1.761   1.761
  414   2HG   GLU  61           HG1      GLU  61 -12.680   1.316   1.316
  415    H    GLY  62           HN       GLY  62 -12.359   5.983   5.983
  416   1HA   GLY  62           HA2      GLY  62 -14.171   5.766   5.766
  417   2HA   GLY  62           HA1      GLY  62 -13.413   7.351   7.351
  418    H    GLU  63           HN       GLU  63 -14.316   4.411   4.411
  419    HA   GLU  63           HA       GLU  63 -16.468   5.235   5.235
  420   1HB   GLU  63           HB2      GLU  63 -14.566   6.964   6.964
  421   2HB   GLU  63           HB1      GLU  63 -14.023   5.546   5.546
  422   1HG   GLU  63           HG2      GLU  63 -16.298   5.319   5.319
  423   2HG   GLU  63           HG1      GLU  63 -16.920   6.663   6.663
  424    H    LYS  64           HN       LYS  64 -15.141   3.769   3.769
  425    HA   LYS  64           HA       LYS  64 -13.931   1.517   1.517
  426   1HB   LYS  64           HB2      LYS  64 -16.643   1.103   1.103
  427   2HB   LYS  64           HB1      LYS  64 -16.347   0.973   0.973
  428   1HG   LYS  64           HG2      LYS  64 -16.341  -1.249  -1.249
  429   2HG   LYS  64           HG1      LYS  64 -14.606  -0.894  -0.894
  430   1HD   LYS  64           HD2      LYS  64 -14.365  -0.372  -0.372
  431   2HD   LYS  64           HD1      LYS  64 -16.118  -0.713  -0.713
  432   1HE   LYS  64           HE2      LYS  64 -15.740  -3.104  -3.104
  433   2HE   LYS  64           HE1      LYS  64 -13.983  -2.744  -2.744
  434   1HZ   LYS  64           HZ3      LYS  64 -14.260  -1.939  -1.939
  435   2HZ   LYS  64           HZ2      LYS  64 -15.546  -3.048  -3.048
  436   3HZ   LYS  64           HZ1      LYS  64 -13.974  -3.560  -3.560
  437    H    CYS  65           HN       CYS  65 -13.663   0.295   0.295
  438    HA   CYS  65           HA       CYS  65 -12.104   2.342   2.342
  439   1HB   CYS  65           HB2      CYS  65 -11.151   0.097   0.097
  440   2HB   CYS  65           HB1      CYS  65 -12.445  -0.663  -0.663
  441    H    HIS  66           HN       HIS  66 -12.113   2.988   2.988
  442    HA   HIS  66           HA       HIS  66 -14.250   1.976   1.976
  443   1HB   HIS  66           HB2      HIS  66 -14.395   4.382   4.382
  444   2HB   HIS  66           HB1      HIS  66 -15.325   4.088   4.088
  445    HD1  HIS  66           HD1      HIS  66 -12.453   6.150   6.150
  446    HD2  HIS  66           HD2      HIS  66 -14.336   5.290   5.290
  447    HE1  HIS  66           HE1      HIS  66 -11.665   7.868   7.868
  448    HE2  HIS  66           HE2      HIS  66 -12.819   7.303   7.303
  449    H    SER  67           HN       SER  67 -13.180   1.901   1.901
  450    HA   SER  67           HA       SER  67 -10.736   2.823   2.823
  451   1HB   SER  67           HB2      SER  67 -10.797  -0.007  -0.007
  452   2HB   SER  67           HB1      SER  67  -9.531   0.494   0.494
  453    HG   SER  67           HG       SER  67 -10.096   1.983   1.983
  454   1HN   NH2  68           H1       NH2  68 -10.337   1.084   1.084
  455   2HN   NH2  68           H2       NH2  68 -11.841   0.563   0.563

  Start of MODEL   21
    1   1H    VAL   1           HT2      VAL   1   6.416  12.481  12.481
    2   2H    VAL   1           HT1      VAL   1   7.444  11.639  11.639
    3   3H    VAL   1           HT3      VAL   1   8.048  12.237  12.237
    4    HA   VAL   1           HA       VAL   1   6.619  10.804  10.804
    5    HB   VAL   1           HB       VAL   1   7.685   8.618   8.618
    6   1HG1  VAL   1          HG12      VAL   1   8.890  10.456  10.456
    7   2HG1  VAL   1          HG11      VAL   1   9.652  10.968  10.968
    8   3HG1  VAL   1          HG13      VAL   1   9.992   9.334   9.334
    9   1HG2  VAL   1          HG22      VAL   1   8.710   9.977   9.977
   10   2HG2  VAL   1          HG21      VAL   1   7.525   8.619   8.619
   11   3HG2  VAL   1          HG23      VAL   1   9.211   8.371   8.371
   12    H    ARG   2           HN       ARG   2   5.788   8.119   8.119
   13    HA   ARG   2           HA       ARG   2   4.232   8.406   8.406
   14   1HB   ARG   2           HB2      ARG   2   2.254   7.204   7.204
   15   2HB   ARG   2           HB1      ARG   2   2.376   8.910   8.910
   16   1HG   ARG   2           HG2      ARG   2   3.749   6.883   6.883
   17   2HG   ARG   2           HG1      ARG   2   1.970   6.831   6.831
   18   1HD   ARG   2           HD2      ARG   2   3.463   9.488   9.488
   19   2HD   ARG   2           HD1      ARG   2   3.078   8.317   8.317
   20    HE   ARG   2           HE       ARG   2   0.728   8.617   8.617
   21   1HH1  ARG   2          HH11      ARG   2   2.621  10.870  10.870
   22   2HH1  ARG   2          HH12      ARG   2   1.298  11.973  11.973
   23   1HH2  ARG   2          HH21      ARG   2  -0.973  10.111  10.111
   24   2HH2  ARG   2          HH22      ARG   2  -0.777  11.525  11.525
   25    H    ASP   3           HN       ASP   3   3.642   5.969   5.969
   26    HA   ASP   3           HA       ASP   3   5.067   4.057   4.057
   27   1HB   ASP   3           HB2      ASP   3   4.914   3.992   3.992
   28   2HB   ASP   3           HB1      ASP   3   5.654   2.756   2.756
   29    H    GLY   4           HN       GLY   4   3.168   2.572   2.572
   30   1HA   GLY   4           HA2      GLY   4   1.223   2.460   2.460
   31   2HA   GLY   4           HA1      GLY   4   0.690   3.459   3.459
   32    H    TYR   5           HN       TYR   5  -0.703   1.251   1.251
   33    HA   TYR   5           HA       TYR   5   0.504  -0.784  -0.784
   34   1HB   TYR   5           HB2      TYR   5  -2.382  -0.032  -0.032
   35   2HB   TYR   5           HB1      TYR   5  -2.030  -1.366  -1.366
   36    HD1  TYR   5           HD1      TYR   5  -0.417  -3.228  -3.228
   37    HD2  TYR   5           HD2      TYR   5  -2.435  -0.412  -0.412
   38    HE1  TYR   5           HE1      TYR   5  -0.158  -4.765  -4.765
   39    HE2  TYR   5           HE2      TYR   5  -2.199  -1.971  -1.971
   40    HH   TYR   5           HH       TYR   5  -1.389  -5.255  -5.255
   41    H    ILE   6           HN       ILE   6   0.399  -0.713  -0.713
   42    HA   ILE   6           HA       ILE   6  -0.131   2.000   2.000
   43    HB   ILE   6           HB       ILE   6   2.105   1.249   1.249
   44   1HG1  ILE   6          HG12      ILE   6   0.297   1.538   1.538
   45   2HG1  ILE   6          HG11      ILE   6   0.878   2.876   2.876
   46   1HG2  ILE   6          HG23      ILE   6   0.698  -1.006  -1.006
   47   2HG2  ILE   6          HG22      ILE   6   2.437  -0.593  -0.593
   48   3HG2  ILE   6          HG21      ILE   6   1.809  -1.159  -1.159
   49   1HD1  ILE   6          HD11      ILE   6   3.270   2.246   2.246
   50   2HD1  ILE   6          HD13      ILE   6   2.606   1.034   1.034
   51   3HD1  ILE   6          HD12      ILE   6   2.257   2.785   2.785
   52    H    ALA   7           HN       ALA   7  -1.559   2.384   2.384
   53    HA   ALA   7           HA       ALA   7  -3.645   0.432   0.432
   54   1HB   ALA   7           HB2      ALA   7  -3.707   3.510   3.510
   55   2HB   ALA   7           HB1      ALA   7  -5.127   2.423   2.423
   56   3HB   ALA   7           HB3      ALA   7  -4.393   2.554   2.554
   57    H    GLN   8           HN       GLN   8  -4.575   2.512   2.512
   58    HA   GLN   8           HA       GLN   8  -2.515   2.414   2.414
   59   1HB   GLN   8           HB2      GLN   8  -5.519   1.821   1.821
   60   2HB   GLN   8           HB1      GLN   8  -4.292   2.110   2.110
   61   1HG   GLN   8           HG2      GLN   8  -3.101   0.045   0.045
   62   2HG   GLN   8           HG1      GLN   8  -4.059  -0.210  -0.210
   63   1HE2  GLN   8          HE21      GLN   8  -6.809  -1.750  -1.750
   64   2HE2  GLN   8          HE22      GLN   8  -6.003  -1.324  -1.324
   65    HA   PRO   9           HA       PRO   9  -3.004   5.930   5.930
   66   1HB   PRO   9           HB2      PRO   9  -2.163   7.905   7.905
   67   2HB   PRO   9           HB1      PRO   9  -1.172   6.460   6.460
   68   1HG   PRO   9           HG1      PRO   9  -3.082   6.735   6.735
   69   2HG   PRO   9           HG2      PRO   9  -1.322   6.290   6.290
   70   1HD   PRO   9           HD1      PRO   9  -3.254   4.336   4.336
   71   2HD   PRO   9           HD2      PRO   9  -1.763   4.165   4.165
   72    H    GLU  10           HN       GLU  10  -5.764   5.451   5.451
   73    HA   GLU  10           HA       GLU  10  -6.791   8.221   8.221
   74   1HB   GLU  10           HB2      GLU  10  -8.275   5.620   5.620
   75   2HB   GLU  10           HB1      GLU  10  -8.786   7.325   7.325
   76   1HG   GLU  10           HG2      GLU  10  -8.138   6.719   6.719
   77   2HG   GLU  10           HG1      GLU  10  -6.730   7.644   7.644
   78    H    ASN  11           HN       ASN  11  -8.254   5.072   5.072
   79    HA   ASN  11           HA       ASN  11  -7.213   5.224   5.224
   80   1HB   ASN  11           HB2      ASN  11  -9.378   6.629   6.629
   81   2HB   ASN  11           HB1      ASN  11 -10.332   5.280   5.280
   82   1HD2  ASN  11          HD21      ASN  11 -10.401   4.593   4.593
   83   2HD2  ASN  11          HD22      ASN  11 -11.316   5.261   5.261
   84    H    CYS  12           HN       CYS  12  -7.338   2.889   2.889
   85    HA   CYS  12           HA       CYS  12  -9.012   1.108   1.108
   86   1HB   CYS  12           HB2      CYS  12  -6.764   1.962   1.962
   87   2HB   CYS  12           HB1      CYS  12  -6.950   0.212   0.212
   88    H    VAL  13           HN       VAL  13  -7.147  -1.042  -1.042
   89    HA   VAL  13           HA       VAL  13  -5.108  -0.622  -0.622
   90    HB   VAL  13           HB       VAL  13  -5.127  -3.186  -3.186
   91   1HG1  VAL  13          HG13      VAL  13  -7.118  -1.304  -1.304
   92   2HG1  VAL  13          HG12      VAL  13  -6.835  -3.019  -3.019
   93   3HG1  VAL  13          HG11      VAL  13  -5.494  -1.838  -1.838
   94   1HG2  VAL  13          HG23      VAL  13  -6.802  -3.647  -3.647
   95   2HG2  VAL  13          HG22      VAL  13  -7.287  -4.323  -4.323
   96   3HG2  VAL  13          HG21      VAL  13  -8.083  -2.824  -2.824
   97    H    TYR  14           HN       TYR  14  -3.174  -1.849  -1.849
   98    HA   TYR  14           HA       TYR  14  -3.568  -2.347  -2.347
   99   1HB   TYR  14           HB2      TYR  14  -1.209  -1.675  -1.675
  100   2HB   TYR  14           HB1      TYR  14  -0.943  -3.319  -3.319
  101    HD1  TYR  14           HD2      TYR  14  -2.391  -3.310  -3.310
  102    HD2  TYR  14           HD1      TYR  14   0.309  -0.488  -0.488
  103    HE1  TYR  14           HE2      TYR  14  -1.779  -2.492  -2.492
  104    HE2  TYR  14           HE1      TYR  14   0.938   0.335   0.335
  105    HH   TYR  14           HH       TYR  14  -0.530  -1.017  -1.017
  106    H    HIS  15           HN       HIS  15  -1.926  -4.853  -4.853
  107    HA   HIS  15           HA       HIS  15  -3.058  -6.554  -6.554
  108   1HB   HIS  15           HB2      HIS  15  -3.390  -7.062  -7.062
  109   2HB   HIS  15           HB1      HIS  15  -3.438  -8.365  -8.365
  110    HD1  HIS  15           HD1      HIS  15  -5.890  -7.550  -7.550
  111    HD2  HIS  15           HD2      HIS  15  -5.390  -6.435  -6.435
  112    HE1  HIS  15           HE1      HIS  15  -8.193  -7.038  -7.038
  113    HE2  HIS  15           HE2      HIS  15  -7.839  -6.385  -6.385
  114    H    CYS  16           HN       CYS  16  -1.416  -8.698  -8.698
  115    HA   CYS  16           HA       CYS  16   1.085  -7.619  -7.619
  116   1HB   CYS  16           HB2      CYS  16   0.709  -6.951  -6.951
  117   2HB   CYS  16           HB1      CYS  16   0.458  -8.673  -8.673
  118    H    PHE  17           HN       PHE  17   2.448  -9.912  -9.912
  119    HA   PHE  17           HA       PHE  17   0.545 -12.099 -12.099
  120   1HB   PHE  17           HB2      PHE  17   3.173 -11.528 -11.528
  121   2HB   PHE  17           HB1      PHE  17   2.149 -13.000 -13.000
  122    HD1  PHE  17           HD2      PHE  17  -0.596 -12.091 -12.091
  123    HD2  PHE  17           HD1      PHE  17   2.959 -10.145 -10.145
  124    HE1  PHE  17           HE2      PHE  17  -1.929 -10.921 -10.921
  125    HE2  PHE  17           HE1      PHE  17   1.611  -8.987  -8.987
  126    HZ   PHE  17           HZ       PHE  17  -0.834  -9.359  -9.359
  127    HA   PRO  18           HA       PRO  18   3.217 -12.625 -12.625
  128   1HB   PRO  18           HB2      PRO  18   2.154 -15.477 -15.477
  129   2HB   PRO  18           HB1      PRO  18   2.549 -14.729 -14.729
  130   1HG   PRO  18           HG1      PRO  18  -0.029 -14.682 -14.682
  131   2HG   PRO  18           HG2      PRO  18   0.676 -13.181 -13.181
  132   1HD   PRO  18           HD1      PRO  18   0.121 -13.747 -13.747
  133   2HD   PRO  18           HD2      PRO  18   0.237 -12.170 -12.170
  134    H    GLY  19           HN       GLY  19   5.368 -13.120 -13.120
  135   1HA   GLY  19           HA2      GLY  19   7.378 -14.166 -14.166
  136   2HA   GLY  19           HA1      GLY  19   6.655 -14.058 -14.058
  137    H    SER  20           HN       SER  20   5.236 -11.689 -11.689
  138    HA   SER  20           HA       SER  20   5.194  -9.576  -9.576
  139   1HB   SER  20           HB2      SER  20   7.959  -9.329  -9.329
  140   2HB   SER  20           HB1      SER  20   6.651  -8.087  -8.087
  141    HG   SER  20           HG       SER  20   6.713 -10.571 -10.571
  142    H    SER  21           HN       SER  21   6.284 -11.207 -11.207
  143    HA   SER  21           HA       SER  21   8.616 -10.248 -10.248
  144   1HB   SER  21           HB2      SER  21   7.367 -11.384 -11.384
  145   2HB   SER  21           HB1      SER  21   7.958 -12.371 -12.371
  146    HG   SER  21           HG       SER  21   5.823 -12.876 -12.876
  147    H    GLY  22           HN       GLY  22   5.287  -9.729  -9.729
  148   1HA   GLY  22           HA2      GLY  22   6.039  -7.818  -7.818
  149   2HA   GLY  22           HA1      GLY  22   4.372  -8.140  -8.140
  150    H    CYS  23           HN       CYS  23   5.188  -7.518  -7.518
  151    HA   CYS  23           HA       CYS  23   4.497  -4.750  -4.750
  152   1HB   CYS  23           HB2      CYS  23   3.378  -6.203  -6.203
  153   2HB   CYS  23           HB1      CYS  23   4.915  -6.170  -6.170
  154    H    ASP  24           HN       ASP  24   7.484  -6.589  -6.589
  155    HA   ASP  24           HA       ASP  24   8.935  -4.528  -4.528
  156   1HB   ASP  24           HB2      ASP  24   9.685  -6.930  -6.930
  157   2HB   ASP  24           HB1      ASP  24   9.903  -6.681  -6.681
  158    H    THR  25           HN       THR  25   8.394  -5.338  -5.338
  159    HA   THR  25           HA       THR  25   9.635  -3.029  -3.029
  160    HB   THR  25           HB       THR  25   7.733  -3.586  -3.586
  161    HG1  THR  25           HG1      THR  25   6.893  -5.344  -5.344
  162   1HG2  THR  25          HG23      THR  25  10.386  -5.081  -5.081
  163   2HG2  THR  25          HG22      THR  25   9.561  -5.025  -5.025
  164   3HG2  THR  25          HG21      THR  25  10.226  -3.515  -3.515
  165    H    LEU  26           HN       LEU  26   6.118  -3.613  -3.613
  166    HA   LEU  26           HA       LEU  26   5.285  -1.171  -1.171
  167   1HB   LEU  26           HB2      LEU  26   4.046  -2.841  -2.841
  168   2HB   LEU  26           HB1      LEU  26   3.252  -1.429  -1.429
  169    HG   LEU  26           HG       LEU  26   4.126  -3.874  -3.874
  170   1HD1  LEU  26          HD12      LEU  26   1.397  -3.272  -3.272
  171   2HD1  LEU  26          HD11      LEU  26   1.724  -4.575  -4.575
  172   3HD1  LEU  26          HD13      LEU  26   2.517  -4.618  -4.618
  173   1HD2  LEU  26          HD23      LEU  26   2.276  -1.493  -1.493
  174   2HD2  LEU  26          HD22      LEU  26   3.862  -1.861  -1.861
  175   3HD2  LEU  26          HD21      LEU  26   2.465  -2.955  -2.955
  176    H    CYS  27           HN       CYS  27   6.242  -2.091  -2.091
  177    HA   CYS  27           HA       CYS  27   5.627   0.344   0.344
  178   1HB   CYS  27           HB2      CYS  27   6.207  -1.836  -1.836
  179   2HB   CYS  27           HB1      CYS  27   7.923  -1.502  -1.502
  180    H    LYS  28           HN       LYS  28   8.666  -0.726  -0.726
  181    HA   LYS  28           HA       LYS  28   9.926   1.717   1.717
  182   1HB   LYS  28           HB2      LYS  28  10.832  -0.322  -0.322
  183   2HB   LYS  28           HB1      LYS  28  11.710   1.192   1.192
  184   1HG   LYS  28           HG2      LYS  28  11.571   0.425   0.425
  185   2HG   LYS  28           HG1      LYS  28  11.155  -1.193  -1.193
  186   1HD   LYS  28           HD2      LYS  28  13.672   0.472   0.472
  187   2HD   LYS  28           HD1      LYS  28  13.627  -0.833  -0.833
  188   1HE   LYS  28           HE2      LYS  28  13.123  -1.222  -1.222
  189   2HE   LYS  28           HE1      LYS  28  14.638  -1.627  -1.627
  190   1HZ   LYS  28           HZ2      LYS  28  12.504  -2.813  -2.813
  191   2HZ   LYS  28           HZ1      LYS  28  12.315  -3.152  -3.152
  192   3HZ   LYS  28           HZ3      LYS  28  13.767  -3.549  -3.549
  193    H    GLU  29           HN       GLU  29   8.084   0.749   0.749
  194    HA   GLU  29           HA       GLU  29   8.913   3.145   3.145
  195   1HB   GLU  29           HB2      GLU  29   7.146   2.850   2.850
  196   2HB   GLU  29           HB1      GLU  29   8.094   1.344   1.344
  197   1HG   GLU  29           HG2      GLU  29   6.283   0.374   0.374
  198   2HG   GLU  29           HG1      GLU  29   5.324   1.895   1.895
  199    H    LYS  30           HN       LYS  30   6.382   2.485   2.485
  200    HA   LYS  30           HA       LYS  30   5.205   5.100   5.100
  201   1HB   LYS  30           HB2      LYS  30   4.822   3.027   3.027
  202   2HB   LYS  30           HB1      LYS  30   3.887   4.551   4.551
  203   1HG   LYS  30           HG2      LYS  30   3.897   2.242   2.242
  204   2HG   LYS  30           HG1      LYS  30   2.644   2.545   2.545
  205   1HD   LYS  30           HD2      LYS  30   2.192   4.803   4.803
  206   2HD   LYS  30           HD1      LYS  30   3.328   4.374   4.374
  207   1HE   LYS  30           HE2      LYS  30   0.730   2.857   2.857
  208   2HE   LYS  30           HE1      LYS  30   0.968   3.937   3.937
  209   1HZ   LYS  30           HZ1      LYS  30   2.661   2.411   2.411
  210   2HZ   LYS  30           HZ3      LYS  30   2.423   1.405   1.405
  211   3HZ   LYS  30           HZ2      LYS  30   1.172   1.619   1.619
  212    H    GLY  31           HN       GLY  31   7.980   3.815   3.815
  213   1HA   GLY  31           HA2      GLY  31   9.630   5.193   5.193
  214   2HA   GLY  31           HA1      GLY  31   8.461   6.502   6.502
  215    H    GLY  32           HN       GLY  32   8.160   3.128   3.128
  216   1HA   GLY  32           HA2      GLY  32   8.816   4.144   4.144
  217   2HA   GLY  32           HA1      GLY  32   7.795   2.720   2.720
  218    H    THR  33           HN       THR  33  10.523   3.102   3.102
  219    HA   THR  33           HA       THR  33  12.355   1.897   1.897
  220    HB   THR  33           HB       THR  33  14.038   2.605   2.605
  221    HG1  THR  33           HG1      THR  33  12.738   2.819   2.819
  222   1HG2  THR  33          HG22      THR  33  12.148   4.744   4.744
  223   2HG2  THR  33          HG21      THR  33  13.826   5.026   5.026
  224   3HG2  THR  33          HG23      THR  33  13.545   3.957   3.957
  225    H    SER  34           HN       SER  34  10.120   0.650   0.650
  226    HA   SER  34           HA       SER  34  11.439  -1.800  -1.800
  227   1HB   SER  34           HB2      SER  34  10.728  -0.823  -0.823
  228   2HB   SER  34           HB1      SER  34  11.416  -2.425  -2.425
  229    HG   SER  34           HG       SER  34  13.044  -0.556  -0.556
  230    H    GLY  35           HN       GLY  35   9.503  -3.439  -3.439
  231   1HA   GLY  35           HA2      GLY  35   7.139  -2.489  -2.489
  232   2HA   GLY  35           HA1      GLY  35   7.165  -2.506  -2.506
  233    H    HIS  36           HN       HIS  36   5.608  -4.500  -4.500
  234    HA   HIS  36           HA       HIS  36   6.786  -6.856  -6.856
  235   1HB   HIS  36           HB2      HIS  36   6.761  -8.056  -8.056
  236   2HB   HIS  36           HB1      HIS  36   8.116  -6.901  -6.901
  237    HD1  HIS  36           HD1      HIS  36   4.774  -7.206  -7.206
  238    HD2  HIS  36           HD2      HIS  36   8.249  -4.842  -4.842
  239    HE1  HIS  36           HE1      HIS  36   4.710  -5.786  -5.786
  240    HE2  HIS  36           HE2      HIS  36   6.805  -4.372  -4.372
  241    H    CYS  37           HN       CYS  37   4.951  -8.588  -8.588
  242    HA   CYS  37           HA       CYS  37   2.441  -7.224  -7.224
  243   1HB   CYS  37           HB2      CYS  37   2.889 -10.163 -10.163
  244   2HB   CYS  37           HB1      CYS  37   1.370  -9.451  -9.451
  245    H    GLY  38           HN       GLY  38   0.587  -7.153  -7.153
  246   1HA   GLY  38           HA2      GLY  38   1.036  -8.164  -8.164
  247   2HA   GLY  38           HA1      GLY  38   1.268  -6.343  -6.343
  248    H    PHE  39           HN       PHE  39  -1.117  -7.033  -7.033
  249    HA   PHE  39           HA       PHE  39  -3.013  -5.967  -5.967
  250   1HB   PHE  39           HB2      PHE  39  -3.202  -8.330  -8.330
  251   2HB   PHE  39           HB1      PHE  39  -3.401  -8.997  -8.997
  252    HD1  PHE  39           HD1      PHE  39  -4.944  -6.035  -6.035
  253    HD2  PHE  39           HD2      PHE  39  -5.578  -9.605  -9.605
  254    HE1  PHE  39           HE1      PHE  39  -7.382  -5.755  -5.755
  255    HE2  PHE  39           HE2      PHE  39  -8.016  -9.252  -9.252
  256    HZ   PHE  39           HZ       PHE  39  -8.916  -7.366  -7.366
  257    H    LYS  40           HN       LYS  40  -5.019  -6.878  -6.878
  258    HA   LYS  40           HA       LYS  40  -5.817  -6.826  -6.826
  259   1HB   LYS  40           HB2      LYS  40  -3.116  -5.811  -5.811
  260   2HB   LYS  40           HB1      LYS  40  -4.639  -5.495  -5.495
  261   1HG   LYS  40           HG2      LYS  40  -3.524  -7.430  -7.430
  262   2HG   LYS  40           HG1      LYS  40  -5.143  -7.836  -7.836
  263   1HD   LYS  40           HD2      LYS  40  -4.055  -8.866  -8.866
  264   2HD   LYS  40           HD1      LYS  40  -2.435  -8.459  -8.459
  265   1HE   LYS  40           HE2      LYS  40  -2.967  -9.914  -9.914
  266   2HE   LYS  40           HE1      LYS  40  -4.565 -10.326 -10.326
  267   1HZ   LYS  40           HZ3      LYS  40  -3.355 -11.257 -11.257
  268   2HZ   LYS  40           HZ2      LYS  40  -1.873 -10.903 -10.903
  269   3HZ   LYS  40           HZ1      LYS  40  -2.945 -12.009 -12.009
  270    H    VAL  41           HN       VAL  41  -6.819  -5.663  -5.663
  271    HA   VAL  41           HA       VAL  41  -7.007  -2.912  -2.912
  272    HB   VAL  41           HB       VAL  41  -6.486  -4.071  -4.071
  273   1HG1  VAL  41          HG13      VAL  41  -6.759  -1.194  -1.194
  274   2HG1  VAL  41          HG12      VAL  41  -6.180  -1.627  -1.627
  275   3HG1  VAL  41          HG11      VAL  41  -7.857  -2.049  -2.049
  276   1HG2  VAL  41          HG22      VAL  41  -4.526  -2.632  -2.632
  277   2HG2  VAL  41          HG21      VAL  41  -4.349  -4.264  -4.264
  278   3HG2  VAL  41          HG23      VAL  41  -4.263  -2.804  -2.804
  279    H    GLY  42           HN       GLY  42  -9.175  -2.575  -2.575
  280   1HA   GLY  42           HA2      GLY  42 -10.711  -5.087  -5.087
  281   2HA   GLY  42           HA1      GLY  42 -11.332  -3.398  -3.398
  282    H    HIS  43           HN       HIS  43  -9.997  -5.758  -5.758
  283    HA   HIS  43           HA       HIS  43 -11.592  -5.018  -5.018
  284   1HB   HIS  43           HB2      HIS  43  -8.713  -3.995  -3.995
  285   2HB   HIS  43           HB1      HIS  43  -9.734  -4.436  -4.436
  286    HD1  HIS  43           HD1      HIS  43  -8.665  -1.486  -1.486
  287    HD2  HIS  43           HD2      HIS  43 -12.563  -2.929  -2.929
  288    HE1  HIS  43           HE1      HIS  43 -10.157   0.521   0.521
  289    HE2  HIS  43           HE2      HIS  43 -12.509  -0.392  -0.392
  290    H    GLY  44           HN       GLY  44  -8.777  -6.116  -6.116
  291   1HA   GLY  44           HA2      GLY  44  -9.554  -8.850  -8.850
  292   2HA   GLY  44           HA1      GLY  44  -8.949  -8.292  -8.292
  293    H    LEU  45           HN       LEU  45  -6.653  -6.744  -6.744
  294    HA   LEU  45           HA       LEU  45  -4.923  -8.348  -8.348
  295   1HB   LEU  45           HB2      LEU  45  -5.065  -9.800  -9.800
  296   2HB   LEU  45           HB1      LEU  45  -4.763  -8.384  -8.384
  297    HG   LEU  45           HG       LEU  45  -2.440  -8.267  -8.267
  298   1HD1  LEU  45          HD12      LEU  45  -3.010 -10.524 -10.524
  299   2HD1  LEU  45          HD11      LEU  45  -1.390  -9.886  -9.886
  300   3HD1  LEU  45          HD13      LEU  45  -2.559  -8.814  -8.814
  301   1HD2  LEU  45          HD23      LEU  45  -3.005  -9.947  -9.947
  302   2HD2  LEU  45          HD22      LEU  45  -1.616 -10.501 -10.501
  303   3HD2  LEU  45          HD21      LEU  45  -3.247 -11.210 -11.210
  304    H    ALA  46           HN       ALA  46  -2.613  -6.752  -6.752
  305    HA   ALA  46           HA       ALA  46  -3.429  -4.365  -4.365
  306   1HB   ALA  46           HB2      ALA  46  -2.658  -4.282  -4.282
  307   2HB   ALA  46           HB1      ALA  46  -2.822  -2.850  -2.850
  308   3HB   ALA  46           HB3      ALA  46  -4.270  -3.810  -3.810
  309    H    CYS  47           HN       CYS  47  -0.944  -3.015  -3.015
  310    HA   CYS  47           HA       CYS  47   0.916  -5.263  -5.263
  311   1HB   CYS  47           HB2      CYS  47   0.901  -4.790  -4.790
  312   2HB   CYS  47           HB1      CYS  47   1.191  -3.075  -3.075
  313    H    TRP  48           HN       TRP  48   3.013  -4.127  -4.127
  314    HA   TRP  48           HA       TRP  48   2.163  -1.704  -1.704
  315   1HB   TRP  48           HB2      TRP  48   2.484  -3.602  -3.602
  316   2HB   TRP  48           HB1      TRP  48   4.037  -4.019  -4.019
  317    HD1  TRP  48           HD1      TRP  48   6.190  -2.447  -2.447
  318    HE1  TRP  48           HE1      TRP  48   6.695  -0.685  -0.685
  319    HE3  TRP  48           HE3      TRP  48   1.472  -1.948  -1.948
  320    HZ2  TRP  48           HZ2      TRP  48   5.239   0.705   0.705
  321    HZ3  TRP  48           HZ3      TRP  48   1.078  -0.375  -0.375
  322    HH2  TRP  48           HH2      TRP  48   2.943   0.942   0.942
  323    H    CYS  49           HN       CYS  49   3.930   0.003   0.003
  324    HA   CYS  49           HA       CYS  49   6.291  -0.567  -0.567
  325   1HB   CYS  49           HB2      CYS  49   4.282   1.638   1.638
  326   2HB   CYS  49           HB1      CYS  49   6.032   1.847   1.847
  327    H    ASN  50           HN       ASN  50   7.986   0.855   0.855
  328    HA   ASN  50           HA       ASN  50   7.242   2.612   2.612
  329   1HB   ASN  50           HB2      ASN  50   9.827   1.032   1.032
  330   2HB   ASN  50           HB1      ASN  50   9.910   2.579   2.579
  331   1HD2  ASN  50          HD21      ASN  50   9.200   1.059   1.059
  332   2HD2  ASN  50          HD22      ASN  50  10.018   2.306   2.306
  333    H    ALA  51           HN       ALA  51   7.717   4.731   4.731
  334    HA   ALA  51           HA       ALA  51   8.498   6.563   6.563
  335   1HB   ALA  51           HB3      ALA  51  10.726   5.700   5.700
  336   2HB   ALA  51           HB2      ALA  51  10.914   5.073   5.073
  337   3HB   ALA  51           HB1      ALA  51  10.805   6.845   6.845
  338    H    LEU  52           HN       LEU  52   6.525   6.126   6.126
  339    HA   LEU  52           HA       LEU  52   7.218   6.404   6.404
  340   1HB   LEU  52           HB2      LEU  52   4.526   6.466   6.466
  341   2HB   LEU  52           HB1      LEU  52   4.673   6.830   6.830
  342    HG   LEU  52           HG       LEU  52   5.676   4.174   4.174
  343   1HD1  LEU  52          HD11      LEU  52   3.343   4.444   4.444
  344   2HD1  LEU  52          HD13      LEU  52   2.783   4.843   4.843
  345   3HD1  LEU  52          HD12      LEU  52   3.410   3.198   3.198
  346   1HD2  LEU  52          HD22      LEU  52   6.223   4.922   4.922
  347   2HD2  LEU  52          HD21      LEU  52   5.360   3.348   3.348
  348   3HD2  LEU  52          HD23      LEU  52   4.480   4.838   4.838
  349    HA   PRO  53           HA       PRO  53   7.183  10.770  10.770
  350   1HB   PRO  53           HB2      PRO  53   6.854  11.938  11.938
  351   2HB   PRO  53           HB1      PRO  53   8.392  11.158  11.158
  352   1HG   PRO  53           HG1      PRO  53   6.190   9.945   9.945
  353   2HG   PRO  53           HG2      PRO  53   7.981   9.875   9.875
  354   1HD   PRO  53           HD1      PRO  53   6.501   7.820   7.820
  355   2HD   PRO  53           HD2      PRO  53   8.207   8.182   8.182
  356    H    ASP  54           HN       ASP  54   5.714  12.780  12.780
  357    HA   ASP  54           HA       ASP  54   3.294  11.971  11.971
  358   1HB   ASP  54           HB2      ASP  54   4.222  14.709  14.709
  359   2HB   ASP  54           HB1      ASP  54   2.773  14.450  14.450
  360    H    ASN  55           HN       ASN  55   4.045  12.306  12.306
  361    HA   ASN  55           HA       ASN  55   1.452  13.346  13.346
  362   1HB   ASN  55           HB2      ASN  55   2.206  13.125  13.125
  363   2HB   ASN  55           HB1      ASN  55   3.404  14.029  14.029
  364   1HD2  ASN  55          HD21      ASN  55   4.583  10.609  10.609
  365   2HD2  ASN  55          HD22      ASN  55   3.059  11.387  11.387
  366    H    VAL  56           HN       VAL  56   2.630  10.310  10.310
  367    HA   VAL  56           HA       VAL  56   1.044   8.836   8.836
  368    HB   VAL  56           HB       VAL  56   2.609   7.653   7.653
  369   1HG1  VAL  56          HG13      VAL  56   1.724   6.602   6.602
  370   2HG1  VAL  56          HG12      VAL  56   2.668   5.675   5.675
  371   3HG1  VAL  56          HG11      VAL  56   0.979   6.155   6.155
  372   1HG2  VAL  56          HG23      VAL  56   3.661   8.579   8.579
  373   2HG2  VAL  56          HG22      VAL  56   4.203   9.126   9.126
  374   3HG2  VAL  56          HG21      VAL  56   4.533   7.451   7.451
  375    H    GLY  57           HN       GLY  57  -0.985   7.897   7.897
  376   1HA   GLY  57           HA2      GLY  57  -1.921   8.698   8.698
  377   2HA   GLY  57           HA1      GLY  57  -2.907   8.266   8.266
  378    H    ILE  58           HN       ILE  58  -3.069   6.967   6.967
  379    HA   ILE  58           HA       ILE  58  -2.240   4.297   4.297
  380    HB   ILE  58           HB       ILE  58  -1.412   3.938   3.938
  381   1HG1  ILE  58          HG12      ILE  58  -1.217   6.996   6.996
  382   2HG1  ILE  58          HG11      ILE  58  -2.533   6.025   6.025
  383   1HG2  ILE  58          HG23      ILE  58   0.108   4.343   4.343
  384   2HG2  ILE  58          HG22      ILE  58   0.260   6.055   6.055
  385   3HG2  ILE  58          HG21      ILE  58   0.860   4.732   4.732
  386   1HD1  ILE  58          HD11      ILE  58   0.478   5.617   5.617
  387   2HD1  ILE  58          HD13      ILE  58  -0.712   6.440   6.440
  388   3HD1  ILE  58          HD12      ILE  58  -0.883   4.680   4.680
  389    H    ILE  59           HN       ILE  59  -3.215   3.166   3.166
  390    HA   ILE  59           HA       ILE  59  -5.880   3.252   3.252
  391    HB   ILE  59           HB       ILE  59  -5.344   2.334   2.334
  392   1HG1  ILE  59          HG12      ILE  59  -3.374   1.450   1.450
  393   2HG1  ILE  59          HG11      ILE  59  -4.579   0.165   0.165
  394   1HG2  ILE  59          HG21      ILE  59  -7.611   2.266   2.266
  395   2HG2  ILE  59          HG23      ILE  59  -6.967   1.236   1.236
  396   3HG2  ILE  59          HG22      ILE  59  -7.000   0.625   0.625
  397   1HD1  ILE  59          HD12      ILE  59  -5.164   0.330   0.330
  398   2HD1  ILE  59          HD11      ILE  59  -3.639   1.272   1.272
  399   3HD1  ILE  59          HD13      ILE  59  -3.569  -0.412  -0.412
  400    H    VAL  60           HN       VAL  60  -7.533   4.552   4.552
  401    HA   VAL  60           HA       VAL  60  -7.250   6.209   6.209
  402    HB   VAL  60           HB       VAL  60  -8.899   6.540   6.540
  403   1HG1  VAL  60          HG13      VAL  60  -8.817   8.284   8.284
  404   2HG1  VAL  60          HG12      VAL  60  -9.649   8.679   8.679
  405   3HG1  VAL  60          HG11      VAL  60 -10.216   7.284   7.284
  406   1HG2  VAL  60          HG21      VAL  60  -6.498   8.108   8.108
  407   2HG2  VAL  60          HG23      VAL  60  -6.506   7.073   7.073
  408   3HG2  VAL  60          HG22      VAL  60  -7.467   8.585   8.585
  409    H    GLU  61           HN       GLU  61  -8.039   4.776   4.776
  410    HA   GLU  61           HA       GLU  61  -9.364   3.541   3.541
  411   1HB   GLU  61           HB2      GLU  61 -11.018   5.401   5.401
  412   2HB   GLU  61           HB1      GLU  61 -11.628   4.343   4.343
  413   1HG   GLU  61           HG2      GLU  61 -13.114   4.250   4.250
  414   2HG   GLU  61           HG1      GLU  61 -12.296   2.651   2.651
  415    H    GLY  62           HN       GLY  62 -11.735   2.467   2.467
  416   1HA   GLY  62           HA2      GLY  62 -10.365   0.771   0.771
  417   2HA   GLY  62           HA1      GLY  62 -11.031  -0.142  -0.142
  418    H    GLU  63           HN       GLU  63 -12.011   2.883   2.883
  419    HA   GLU  63           HA       GLU  63 -14.752   2.098   2.098
  420   1HB   GLU  63           HB2      GLU  63 -13.766   4.259   4.259
  421   2HB   GLU  63           HB1      GLU  63 -13.540   4.796   4.796
  422   1HG   GLU  63           HG2      GLU  63 -16.043   4.756   4.756
  423   2HG   GLU  63           HG1      GLU  63 -16.244   4.126   4.126
  424    H    LYS  64           HN       LYS  64 -12.580   2.886   2.886
  425    HA   LYS  64           HA       LYS  64 -14.642   2.048   2.048
  426   1HB   LYS  64           HB2      LYS  64 -15.010   4.592   4.592
  427   2HB   LYS  64           HB1      LYS  64 -13.316   4.846   4.846
  428   1HG   LYS  64           HG2      LYS  64 -14.813   5.420   5.420
  429   2HG   LYS  64           HG1      LYS  64 -13.875   3.974   3.974
  430   1HD   LYS  64           HD2      LYS  64 -16.080   3.664   3.664
  431   2HD   LYS  64           HD1      LYS  64 -15.905   2.531   2.531
  432   1HE   LYS  64           HE2      LYS  64 -17.216   4.089   4.089
  433   2HE   LYS  64           HE1      LYS  64 -17.297   5.306   5.306
  434   1HZ   LYS  64           HZ3      LYS  64 -18.429   2.558   2.558
  435   2HZ   LYS  64           HZ2      LYS  64 -19.293   3.993   3.993
  436   3HZ   LYS  64           HZ1      LYS  64 -18.533   3.745   3.745
  437    H    CYS  65           HN       CYS  65 -13.482   1.754   1.754
  438    HA   CYS  65           HA       CYS  65 -10.698   2.128   2.128
  439   1HB   CYS  65           HB2      CYS  65 -10.866  -0.348  -0.348
  440   2HB   CYS  65           HB1      CYS  65 -12.137  -0.570  -0.570
  441    H    HIS  66           HN       HIS  66 -10.563   3.081   3.081
  442    HA   HIS  66           HA       HIS  66 -12.814   2.755   2.755
  443   1HB   HIS  66           HB2      HIS  66 -13.395   5.240   5.240
  444   2HB   HIS  66           HB1      HIS  66 -13.882   4.439   4.439
  445    HD1  HIS  66           HD1      HIS  66 -11.429   6.963   6.963
  446    HD2  HIS  66           HD2      HIS  66 -12.374   5.182   5.182
  447    HE1  HIS  66           HE1      HIS  66 -10.171   8.224   8.224
  448    HE2  HIS  66           HE2      HIS  66 -10.843   7.165   7.165
  449    H    SER  67           HN       SER  67 -12.198   4.392   4.392
  450    HA   SER  67           HA       SER  67  -9.723   5.515   5.515
  451   1HB   SER  67           HB2      SER  67 -10.079   2.708   2.708
  452   2HB   SER  67           HB1      SER  67  -8.828   3.899   3.899
  453    HG   SER  67           HG       SER  67  -8.989   3.219   3.219
  454   1HN   NH2  68           H1       NH2  68 -11.414   6.187   6.187
  455   2HN   NH2  68           H2       NH2  68  -9.795   5.995   5.995

  Start of MODEL   22
    1   1H    VAL   1           HT3      VAL   1   5.812  12.305  12.305
    2   2H    VAL   1           HT2      VAL   1   7.094  11.542  11.542
    3   3H    VAL   1           HT1      VAL   1   7.395  12.432  12.432
    4    HA   VAL   1           HA       VAL   1   6.064  10.902  10.902
    5    HB   VAL   1           HB       VAL   1   7.600   8.920   8.920
    6   1HG1  VAL   1          HG11      VAL   1   8.232  10.976  10.976
    7   2HG1  VAL   1          HG13      VAL   1   8.999  11.663  11.663
    8   3HG1  VAL   1          HG12      VAL   1   9.676  10.178  10.178
    9   1HG2  VAL   1          HG23      VAL   1   8.725  10.207  10.207
   10   2HG2  VAL   1          HG22      VAL   1   7.825   8.649   8.649
   11   3HG2  VAL   1          HG21      VAL   1   9.429   8.816   8.816
   12    H    ARG   2           HN       ARG   2   5.308   8.481   8.481
   13    HA   ARG   2           HA       ARG   2   3.872   7.948   7.948
   14   1HB   ARG   2           HB2      ARG   2   3.348   6.662   6.662
   15   2HB   ARG   2           HB1      ARG   2   2.494   6.316   6.316
   16   1HG   ARG   2           HG2      ARG   2   0.968   7.602   7.602
   17   2HG   ARG   2           HG1      ARG   2   1.822   8.887   8.887
   18   1HD   ARG   2           HD2      ARG   2   2.775   9.807   9.807
   19   2HD   ARG   2           HD1      ARG   2   2.598   8.241   8.241
   20    HE   ARG   2           HE       ARG   2   0.389   8.777   8.777
   21   1HH1  ARG   2          HH21      ARG   2   1.428  11.015  11.015
   22   2HH1  ARG   2          HH22      ARG   2  -0.022  11.956  11.956
   23   1HH2  ARG   2          HH11      ARG   2  -1.519  10.036  10.036
   24   2HH2  ARG   2          HH12      ARG   2  -1.717  11.402  11.402
   25    H    ASP   3           HN       ASP   3   3.927   5.676   5.676
   26    HA   ASP   3           HA       ASP   3   5.383   3.840   3.840
   27   1HB   ASP   3           HB2      ASP   3   5.460   3.707   3.707
   28   2HB   ASP   3           HB1      ASP   3   6.216   2.581   2.581
   29    H    GLY   4           HN       GLY   4   3.526   2.332   2.332
   30   1HA   GLY   4           HA2      GLY   4   1.541   2.186   2.186
   31   2HA   GLY   4           HA1      GLY   4   1.067   3.223   3.223
   32    H    TYR   5           HN       TYR   5  -0.405   1.054   1.054
   33    HA   TYR   5           HA       TYR   5   1.065  -0.975  -0.975
   34   1HB   TYR   5           HB2      TYR   5  -1.898  -0.524  -0.524
   35   2HB   TYR   5           HB1      TYR   5  -1.397  -1.670  -1.670
   36    HD1  TYR   5           HD1      TYR   5  -1.173  -0.933  -0.933
   37    HD2  TYR   5           HD2      TYR   5  -0.529  -3.821  -3.821
   38    HE1  TYR   5           HE1      TYR   5  -1.013  -2.720  -2.720
   39    HE2  TYR   5           HE2      TYR   5  -0.439  -5.620  -5.620
   40    HH   TYR   5           HH       TYR   5  -1.257  -6.074  -6.074
   41    H    ILE   6           HN       ILE   6   0.948  -0.908  -0.908
   42    HA   ILE   6           HA       ILE   6   0.243   1.780   1.780
   43    HB   ILE   6           HB       ILE   6   2.597   1.094   1.094
   44   1HG1  ILE   6          HG12      ILE   6   0.765   1.701   1.701
   45   2HG1  ILE   6          HG11      ILE   6   1.446   2.886   2.886
   46   1HG2  ILE   6          HG21      ILE   6   2.196  -1.302  -1.302
   47   2HG2  ILE   6          HG23      ILE   6   1.219  -0.914  -0.914
   48   3HG2  ILE   6          HG22      ILE   6   2.974  -0.548  -0.548
   49   1HD1  ILE   6          HD13      ILE   6   3.773   2.210   2.210
   50   2HD1  ILE   6          HD12      ILE   6   2.969   1.183   1.183
   51   3HD1  ILE   6          HD11      ILE   6   2.713   2.962   2.962
   52    H    ALA   7           HN       ALA   7  -0.988   1.861   1.861
   53    HA   ALA   7           HA       ALA   7  -2.725  -0.357  -0.357
   54   1HB   ALA   7           HB3      ALA   7  -3.487   1.465   1.465
   55   2HB   ALA   7           HB2      ALA   7  -3.976   2.404   2.404
   56   3HB   ALA   7           HB1      ALA   7  -4.676   0.774   0.774
   57    H    GLN   8           HN       GLN   8  -4.295   0.824   0.824
   58    HA   GLN   8           HA       GLN   8  -2.560   2.151   2.151
   59   1HB   GLN   8           HB2      GLN   8  -5.505   1.206   1.206
   60   2HB   GLN   8           HB1      GLN   8  -4.513   1.796   1.796
   61   1HG   GLN   8           HG2      GLN   8  -2.966  -0.148  -0.148
   62   2HG   GLN   8           HG1      GLN   8  -3.908  -0.739  -0.739
   63   1HE2  GLN   8          HE21      GLN   8  -6.243  -2.469  -2.469
   64   2HE2  GLN   8          HE22      GLN   8  -5.536  -2.222  -2.222
   65    HA   PRO   9           HA       PRO   9  -3.529   5.609   5.609
   66   1HB   PRO   9           HB2      PRO   9  -3.400   7.723   7.723
   67   2HB   PRO   9           HB1      PRO   9  -2.015   6.643   6.643
   68   1HG   PRO   9           HG1      PRO   9  -3.963   6.324   6.324
   69   2HG   PRO   9           HG2      PRO   9  -2.150   6.323   6.323
   70   1HD   PRO   9           HD1      PRO   9  -3.547   3.958   3.958
   71   2HD   PRO   9           HD2      PRO   9  -2.048   4.171   4.171
   72    H    GLU  10           HN       GLU  10  -6.163   4.580   4.580
   73    HA   GLU  10           HA       GLU  10  -7.812   6.908   6.908
   74   1HB   GLU  10           HB2      GLU  10  -8.328   4.523   4.523
   75   2HB   GLU  10           HB1      GLU  10  -9.470   5.856   5.856
   76   1HG   GLU  10           HG2      GLU  10  -7.882   7.525   7.525
   77   2HG   GLU  10           HG1      GLU  10  -6.702   6.219   6.219
   78    H    ASN  11           HN       ASN  11  -6.525   4.607   4.607
   79    HA   ASN  11           HA       ASN  11  -6.957   3.864   3.864
   80   1HB   ASN  11           HB2      ASN  11  -8.505   5.805   5.805
   81   2HB   ASN  11           HB1      ASN  11  -9.858   4.816   4.816
   82   1HD2  ASN  11          HD21      ASN  11 -10.494   4.194   4.194
   83   2HD2  ASN  11          HD22      ASN  11 -11.071   4.739   4.739
   84    H    CYS  12           HN       CYS  12  -6.668   2.008   2.008
   85    HA   CYS  12           HA       CYS  12  -8.777   0.045   0.045
   86   1HB   CYS  12           HB2      CYS  12  -7.525   0.374   0.374
   87   2HB   CYS  12           HB1      CYS  12  -8.856  -0.726  -0.726
   88    H    VAL  13           HN       VAL  13  -7.575  -2.038  -2.038
   89    HA   VAL  13           HA       VAL  13  -4.888  -1.507  -1.507
   90    HB   VAL  13           HB       VAL  13  -4.692  -3.989  -3.989
   91   1HG1  VAL  13          HG13      VAL  13  -6.860  -2.243  -2.243
   92   2HG1  VAL  13          HG12      VAL  13  -6.273  -3.827  -3.827
   93   3HG1  VAL  13          HG11      VAL  13  -5.128  -2.472  -2.472
   94   1HG2  VAL  13          HG21      VAL  13  -6.428  -4.751  -4.751
   95   2HG2  VAL  13          HG23      VAL  13  -6.683  -5.358  -5.358
   96   3HG2  VAL  13          HG22      VAL  13  -7.721  -4.027  -4.027
   97    H    TYR  14           HN       TYR  14  -2.991  -2.612  -2.612
   98    HA   TYR  14           HA       TYR  14  -2.999  -2.833  -2.833
   99   1HB   TYR  14           HB2      TYR  14  -1.079  -1.860  -1.860
  100   2HB   TYR  14           HB1      TYR  14  -0.361  -3.290  -3.290
  101    HD1  TYR  14           HD1      TYR  14  -1.253  -3.133  -3.133
  102    HD2  TYR  14           HD2      TYR  14   0.078  -0.061  -0.061
  103    HE1  TYR  14           HE1      TYR  14  -0.592  -1.745  -1.745
  104    HE2  TYR  14           HE2      TYR  14   0.732   1.340   1.340
  105    HH   TYR  14           HH       TYR  14   0.365   0.241   0.241
  106    H    HIS  15           HN       HIS  15  -2.961  -5.158  -5.158
  107    HA   HIS  15           HA       HIS  15  -3.237  -6.947  -6.947
  108   1HB   HIS  15           HB2      HIS  15  -3.849  -7.295  -7.295
  109   2HB   HIS  15           HB1      HIS  15  -3.768  -8.665  -8.665
  110    HD1  HIS  15           HD1      HIS  15  -5.793  -5.470  -5.470
  111    HD2  HIS  15           HD2      HIS  15  -5.941  -9.057  -9.057
  112    HE1  HIS  15           HE1      HIS  15  -8.066  -5.591  -5.591
  113    HE2  HIS  15           HE2      HIS  15  -8.099  -7.756  -7.756
  114    H    CYS  16           HN       CYS  16  -1.799  -8.703  -8.703
  115    HA   CYS  16           HA       CYS  16   0.644  -8.661  -8.661
  116   1HB   CYS  16           HB2      CYS  16   0.965  -6.761  -6.761
  117   2HB   CYS  16           HB1      CYS  16   0.459  -7.924  -7.924
  118    H    PHE  17           HN       PHE  17   1.602 -10.592 -10.592
  119    HA   PHE  17           HA       PHE  17  -0.563 -12.442 -12.442
  120   1HB   PHE  17           HB2      PHE  17   2.048 -12.606 -12.606
  121   2HB   PHE  17           HB1      PHE  17   0.793 -13.886 -13.886
  122    HD1  PHE  17           HD2      PHE  17  -1.687 -13.084 -13.084
  123    HD2  PHE  17           HD1      PHE  17   1.852 -10.875 -10.875
  124    HE1  PHE  17           HE2      PHE  17  -2.945 -11.918 -11.918
  125    HE2  PHE  17           HE1      PHE  17   0.568  -9.703  -9.703
  126    HZ   PHE  17           HZ       PHE  17  -1.836 -10.209 -10.209
  127    HA   PRO  18           HA       PRO  18   2.158 -13.296 -13.296
  128   1HB   PRO  18           HB2      PRO  18   2.498 -16.154 -16.154
  129   2HB   PRO  18           HB1      PRO  18   2.262 -15.680 -15.680
  130   1HG   PRO  18           HG1      PRO  18   0.110 -16.513 -16.513
  131   2HG   PRO  18           HG2      PRO  18  -0.045 -15.023 -15.023
  132   1HD   PRO  18           HD1      PRO  18   0.336 -15.185 -15.185
  133   2HD   PRO  18           HD2      PRO  18  -0.634 -14.032 -14.032
  134    H    GLY  19           HN       GLY  19   3.776 -12.194 -12.194
  135   1HA   GLY  19           HA2      GLY  19   6.234 -12.553 -12.553
  136   2HA   GLY  19           HA1      GLY  19   6.156 -13.442 -13.442
  137    H    SER  20           HN       SER  20   7.387 -10.619 -10.619
  138    HA   SER  20           HA       SER  20   5.651  -8.738  -8.738
  139   1HB   SER  20           HB2      SER  20   8.713  -8.497  -8.497
  140   2HB   SER  20           HB1      SER  20   7.463  -7.222  -7.222
  141    HG   SER  20           HG       SER  20   8.334  -8.047  -8.047
  142    H    SER  21           HN       SER  21   5.869 -10.801 -10.801
  143    HA   SER  21           HA       SER  21   7.968 -10.865 -10.865
  144   1HB   SER  21           HB2      SER  21   5.096 -11.326 -11.326
  145   2HB   SER  21           HB1      SER  21   6.601 -12.198 -12.198
  146    HG   SER  21           HG       SER  21   5.337 -13.359 -13.359
  147    H    GLY  22           HN       GLY  22   4.908  -9.129  -9.129
  148   1HA   GLY  22           HA2      GLY  22   6.447  -7.759  -7.759
  149   2HA   GLY  22           HA1      GLY  22   4.668  -7.722  -7.722
  150    H    CYS  23           HN       CYS  23   5.511  -7.312  -7.312
  151    HA   CYS  23           HA       CYS  23   4.944  -4.529  -4.529
  152   1HB   CYS  23           HB2      CYS  23   3.746  -5.999  -5.999
  153   2HB   CYS  23           HB1      CYS  23   5.200  -5.754  -5.754
  154    H    ASP  24           HN       ASP  24   7.796  -6.397  -6.397
  155    HA   ASP  24           HA       ASP  24   9.444  -4.610  -4.610
  156   1HB   ASP  24           HB2      ASP  24   9.955  -7.011  -7.011
  157   2HB   ASP  24           HB1      ASP  24  10.102  -6.470  -6.470
  158    H    THR  25           HN       THR  25   8.888  -4.945  -4.945
  159    HA   THR  25           HA       THR  25  10.131  -2.607  -2.607
  160    HB   THR  25           HB       THR  25   8.129  -3.046  -3.046
  161    HG1  THR  25           HG1      THR  25   7.332  -4.910  -4.910
  162   1HG2  THR  25          HG22      THR  25  10.616  -2.926  -2.926
  163   2HG2  THR  25          HG21      THR  25  10.807  -4.569  -4.569
  164   3HG2  THR  25          HG23      THR  25   9.904  -4.359  -4.359
  165    H    LEU  26           HN       LEU  26   6.650  -3.237  -3.237
  166    HA   LEU  26           HA       LEU  26   5.771  -0.773  -0.773
  167   1HB   LEU  26           HB2      LEU  26   4.534  -2.508  -2.508
  168   2HB   LEU  26           HB1      LEU  26   3.725  -1.119  -1.119
  169    HG   LEU  26           HG       LEU  26   4.636  -3.647  -3.647
  170   1HD1  LEU  26          HD13      LEU  26   2.821  -4.153  -4.153
  171   2HD1  LEU  26          HD12      LEU  26   1.845  -2.782  -2.782
  172   3HD1  LEU  26          HD11      LEU  26   2.208  -4.196  -4.196
  173   1HD2  LEU  26          HD22      LEU  26   3.066  -1.171  -1.171
  174   2HD2  LEU  26          HD21      LEU  26   4.649  -1.776  -1.776
  175   3HD2  LEU  26          HD23      LEU  26   3.151  -2.732  -2.732
  176    H    CYS  27           HN       CYS  27   6.727  -1.843  -1.843
  177    HA   CYS  27           HA       CYS  27   6.080   0.505   0.505
  178   1HB   CYS  27           HB2      CYS  27   6.665  -1.759  -1.759
  179   2HB   CYS  27           HB1      CYS  27   8.384  -1.412  -1.412
  180    H    LYS  28           HN       LYS  28   9.128  -0.497  -0.497
  181    HA   LYS  28           HA       LYS  28  10.455   1.866   1.866
  182   1HB   LYS  28           HB2      LYS  28  11.114  -0.123  -0.123
  183   2HB   LYS  28           HB1      LYS  28  12.070   1.375   1.375
  184   1HG   LYS  28           HG2      LYS  28  12.340   0.698   0.698
  185   2HG   LYS  28           HG1      LYS  28  11.649  -0.905  -0.905
  186   1HD   LYS  28           HD2      LYS  28  14.142   0.379   0.379
  187   2HD   LYS  28           HD1      LYS  28  14.211  -0.757  -0.757
  188   1HE   LYS  28           HE2      LYS  28  13.039  -1.473  -1.473
  189   2HE   LYS  28           HE1      LYS  28  14.705  -1.873  -1.873
  190   1HZ   LYS  28           HZ2      LYS  28  13.703  -3.092  -3.092
  191   2HZ   LYS  28           HZ1      LYS  28  12.148  -2.789  -2.789
  192   3HZ   LYS  28           HZ3      LYS  28  13.262  -3.710  -3.710
  193    H    GLU  29           HN       GLU  29   8.523   1.147   1.147
  194    HA   GLU  29           HA       GLU  29   9.320   3.648   3.648
  195   1HB   GLU  29           HB2      GLU  29   7.581   3.387   3.387
  196   2HB   GLU  29           HB1      GLU  29   8.571   1.902   1.902
  197   1HG   GLU  29           HG2      GLU  29   6.741   0.930   0.930
  198   2HG   GLU  29           HG1      GLU  29   5.717   2.371   2.371
  199    H    LYS  30           HN       LYS  30   6.857   2.827   2.827
  200    HA   LYS  30           HA       LYS  30   5.551   5.408   5.408
  201   1HB   LYS  30           HB2      LYS  30   5.303   3.127   3.127
  202   2HB   LYS  30           HB1      LYS  30   4.375   4.660   4.660
  203   1HG   LYS  30           HG2      LYS  30   4.237   2.813   2.813
  204   2HG   LYS  30           HG1      LYS  30   3.154   2.671   2.671
  205   1HD   LYS  30           HD2      LYS  30   1.779   4.223   4.223
  206   2HD   LYS  30           HD1      LYS  30   3.069   5.462   5.462
  207   1HE   LYS  30           HE2      LYS  30   2.527   3.488   3.488
  208   2HE   LYS  30           HE1      LYS  30   1.966   5.207   5.207
  209   1HZ   LYS  30           HZ3      LYS  30   4.804   4.326   4.326
  210   2HZ   LYS  30           HZ2      LYS  30   3.976   4.914   4.914
  211   3HZ   LYS  30           HZ1      LYS  30   4.233   5.923   5.923
  212    H    GLY  31           HN       GLY  31   8.353   4.095   4.095
  213   1HA   GLY  31           HA2      GLY  31  10.003   5.448   5.448
  214   2HA   GLY  31           HA1      GLY  31   8.834   6.750   6.750
  215    H    GLY  32           HN       GLY  32   8.421   3.326   3.326
  216   1HA   GLY  32           HA2      GLY  32   8.852   4.094   4.094
  217   2HA   GLY  32           HA1      GLY  32   8.099   2.599   2.599
  218    H    THR  33           HN       THR  33  10.442   2.975   2.975
  219    HA   THR  33           HA       THR  33  12.718   2.383   2.383
  220    HB   THR  33           HB       THR  33  12.728   3.553   3.553
  221    HG1  THR  33           HG1      THR  33  11.536   4.783   4.783
  222   1HG2  THR  33          HG22      THR  33  14.778   3.574   3.574
  223   2HG2  THR  33          HG21      THR  33  14.968   4.454   4.454
  224   3HG2  THR  33          HG23      THR  33  14.951   2.658   2.658
  225    H    SER  34           HN       SER  34  10.504   0.809   0.809
  226    HA   SER  34           HA       SER  34  11.957  -1.506  -1.506
  227   1HB   SER  34           HB2      SER  34  11.453  -0.479  -0.479
  228   2HB   SER  34           HB1      SER  34  11.758  -2.210  -2.210
  229    HG   SER  34           HG       SER  34  13.564  -0.315  -0.315
  230    H    GLY  35           HN       GLY  35  10.091  -3.256  -3.256
  231   1HA   GLY  35           HA2      GLY  35   7.602  -2.154  -2.154
  232   2HA   GLY  35           HA1      GLY  35   7.900  -2.638  -2.638
  233    H    HIS  36           HN       HIS  36   6.090  -4.310  -4.310
  234    HA   HIS  36           HA       HIS  36   7.304  -6.759  -6.759
  235   1HB   HIS  36           HB2      HIS  36   5.888  -5.358  -5.358
  236   2HB   HIS  36           HB1      HIS  36   6.276  -7.112  -7.112
  237    HD1  HIS  36           HD1      HIS  36   9.026  -7.547  -7.547
  238    HD2  HIS  36           HD2      HIS  36   7.829  -3.808  -3.808
  239    HE1  HIS  36           HE1      HIS  36  11.023  -6.526  -6.526
  240    HE2  HIS  36           HE2      HIS  36  10.260  -4.270  -4.270
  241    H    CYS  37           HN       CYS  37   4.779  -7.937  -7.937
  242    HA   CYS  37           HA       CYS  37   2.660  -6.382  -6.382
  243   1HB   CYS  37           HB2      CYS  37   3.292  -9.180  -9.180
  244   2HB   CYS  37           HB1      CYS  37   1.719  -8.324  -8.324
  245    H    GLY  38           HN       GLY  38   0.606  -7.656  -7.656
  246   1HA   GLY  38           HA2      GLY  38   0.999  -9.820  -9.820
  247   2HA   GLY  38           HA1      GLY  38   1.206  -8.272  -8.272
  248    H    PHE  39           HN       PHE  39  -1.055  -9.314  -9.314
  249    HA   PHE  39           HA       PHE  39  -3.190  -8.565  -8.565
  250   1HB   PHE  39           HB2      PHE  39  -3.079 -10.938 -10.938
  251   2HB   PHE  39           HB1      PHE  39  -3.534 -10.024 -10.024
  252    HD1  PHE  39           HD2      PHE  39  -4.499 -10.602 -10.602
  253    HD2  PHE  39           HD1      PHE  39  -5.910  -9.618  -9.618
  254    HE1  PHE  39           HE2      PHE  39  -6.813 -10.661 -10.661
  255    HE2  PHE  39           HE1      PHE  39  -8.222  -9.676  -9.676
  256    HZ   PHE  39           HZ       PHE  39  -8.701 -10.220 -10.220
  257    H    LYS  40           HN       LYS  40  -5.019  -7.258  -7.258
  258    HA   LYS  40           HA       LYS  40  -4.686  -6.417  -6.417
  259   1HB   LYS  40           HB2      LYS  40  -5.037  -3.945  -3.945
  260   2HB   LYS  40           HB1      LYS  40  -3.396  -4.526  -4.526
  261   1HG   LYS  40           HG2      LYS  40  -3.797  -3.078  -3.078
  262   2HG   LYS  40           HG1      LYS  40  -4.007  -4.697  -4.697
  263   1HD   LYS  40           HD2      LYS  40  -5.644  -3.001  -3.001
  264   2HD   LYS  40           HD1      LYS  40  -6.457  -4.399  -4.399
  265   1HE   LYS  40           HE2      LYS  40  -7.501  -2.149  -2.149
  266   2HE   LYS  40           HE1      LYS  40  -6.963  -3.107  -3.107
  267   1HZ   LYS  40           HZ1      LYS  40  -4.926  -1.792  -1.792
  268   2HZ   LYS  40           HZ3      LYS  40  -5.531  -0.828  -0.828
  269   3HZ   LYS  40           HZ2      LYS  40  -6.328  -0.865  -0.865
  270    H    VAL  41           HN       VAL  41  -7.099  -5.467  -5.467
  271    HA   VAL  41           HA       VAL  41  -8.692  -7.062  -7.062
  272    HB   VAL  41           HB       VAL  41  -9.552  -6.383  -6.383
  273   1HG1  VAL  41          HG12      VAL  41 -10.108  -8.710  -8.710
  274   2HG1  VAL  41          HG11      VAL  41 -10.834  -8.533  -8.533
  275   3HG1  VAL  41          HG13      VAL  41 -11.214  -7.328  -7.328
  276   1HG2  VAL  41          HG22      VAL  41  -7.699  -8.727  -8.727
  277   2HG2  VAL  41          HG21      VAL  41  -7.327  -7.400  -7.400
  278   3HG2  VAL  41          HG23      VAL  41  -8.606  -8.594  -8.594
  279    H    GLY  42           HN       GLY  42 -10.549  -5.955  -5.955
  280   1HA   GLY  42           HA2      GLY  42 -11.999  -4.002  -4.002
  281   2HA   GLY  42           HA1      GLY  42 -10.469  -3.073  -3.073
  282    H    HIS  43           HN       HIS  43  -9.299  -3.878  -3.878
  283    HA   HIS  43           HA       HIS  43 -11.275  -4.271  -4.271
  284   1HB   HIS  43           HB2      HIS  43  -8.387  -3.279  -3.279
  285   2HB   HIS  43           HB1      HIS  43  -9.278  -3.763  -3.763
  286    HD1  HIS  43           HD1      HIS  43  -8.316  -0.898  -0.898
  287    HD2  HIS  43           HD2      HIS  43 -12.125  -2.084  -2.084
  288    HE1  HIS  43           HE1      HIS  43  -9.815   1.138   1.138
  289    HE2  HIS  43           HE2      HIS  43 -12.097   0.383   0.383
  290    H    GLY  44           HN       GLY  44  -7.729  -5.486  -5.486
  291   1HA   GLY  44           HA2      GLY  44  -8.406  -8.063  -8.063
  292   2HA   GLY  44           HA1      GLY  44  -8.425  -7.692  -7.692
  293    H    LEU  45           HN       LEU  45  -6.382  -8.956  -8.956
  294    HA   LEU  45           HA       LEU  45  -4.174  -8.321  -8.321
  295   1HB   LEU  45           HB2      LEU  45  -4.713 -10.515 -10.515
  296   2HB   LEU  45           HB1      LEU  45  -4.004  -9.724  -9.724
  297    HG   LEU  45           HG       LEU  45  -2.421  -9.835  -9.835
  298   1HD1  LEU  45          HD11      LEU  45  -3.357 -12.134 -12.134
  299   2HD1  LEU  45          HD13      LEU  45  -2.689 -12.246 -12.246
  300   3HD1  LEU  45          HD12      LEU  45  -1.575 -12.111 -12.111
  301   1HD2  LEU  45          HD22      LEU  45  -1.383  -8.673  -8.673
  302   2HD2  LEU  45          HD21      LEU  45  -0.444 -10.110 -10.110
  303   3HD2  LEU  45          HD23      LEU  45  -1.508 -10.232 -10.232
  304    H    ALA  46           HN       ALA  46  -2.250  -7.029  -7.029
  305    HA   ALA  46           HA       ALA  46  -2.824  -5.059  -5.059
  306   1HB   ALA  46           HB1      ALA  46  -3.973  -4.327  -4.327
  307   2HB   ALA  46           HB3      ALA  46  -2.418  -4.498  -4.498
  308   3HB   ALA  46           HB2      ALA  46  -2.600  -3.237  -3.237
  309    H    CYS  47           HN       CYS  47  -0.634  -3.353  -3.353
  310    HA   CYS  47           HA       CYS  47   1.574  -5.296  -5.296
  311   1HB   CYS  47           HB2      CYS  47   1.400  -4.806  -4.806
  312   2HB   CYS  47           HB1      CYS  47   1.250  -3.067  -3.067
  313    H    TRP  48           HN       TRP  48   3.612  -3.764  -3.764
  314    HA   TRP  48           HA       TRP  48   2.590  -1.637  -1.637
  315   1HB   TRP  48           HB2      TRP  48   2.754  -3.556  -3.556
  316   2HB   TRP  48           HB1      TRP  48   4.282  -4.080  -4.080
  317    HD1  TRP  48           HD1      TRP  48   6.538  -2.644  -2.644
  318    HE1  TRP  48           HE1      TRP  48   7.146  -0.978  -0.978
  319    HE3  TRP  48           HE3      TRP  48   1.901  -2.156  -2.156
  320    HZ2  TRP  48           HZ2      TRP  48   5.754   0.404   0.404
  321    HZ3  TRP  48           HZ3      TRP  48   1.599  -0.686  -0.686
  322    HH2  TRP  48           HH2      TRP  48   3.504   0.589   0.589
  323    H    CYS  49           HN       CYS  49   4.315   0.015   0.015
  324    HA   CYS  49           HA       CYS  49   6.728  -0.395  -0.395
  325   1HB   CYS  49           HB2      CYS  49   4.682   1.760   1.760
  326   2HB   CYS  49           HB1      CYS  49   6.437   2.007   2.007
  327    H    ASN  50           HN       ASN  50   8.295   1.143   1.143
  328    HA   ASN  50           HA       ASN  50   7.412   2.684   2.684
  329   1HB   ASN  50           HB2      ASN  50  10.136   1.322   1.322
  330   2HB   ASN  50           HB1      ASN  50   9.880   2.533   2.533
  331   1HD2  ASN  50          HD21      ASN  50   8.412   0.256   0.256
  332   2HD2  ASN  50          HD22      ASN  50   8.685   1.926   1.926
  333    H    ALA  51           HN       ALA  51   7.805   4.846   4.846
  334    HA   ALA  51           HA       ALA  51   8.716   6.703   6.703
  335   1HB   ALA  51           HB2      ALA  51  10.992   5.793   5.793
  336   2HB   ALA  51           HB1      ALA  51  11.042   5.304   5.304
  337   3HB   ALA  51           HB3      ALA  51  10.958   7.047   7.047
  338    H    LEU  52           HN       LEU  52   6.615   6.364   6.364
  339    HA   LEU  52           HA       LEU  52   7.147   6.659   6.659
  340   1HB   LEU  52           HB2      LEU  52   4.561   6.341   6.341
  341   2HB   LEU  52           HB1      LEU  52   4.529   6.916   6.916
  342    HG   LEU  52           HG       LEU  52   5.791   4.251   4.251
  343   1HD1  LEU  52          HD13      LEU  52   2.934   4.903   4.903
  344   2HD1  LEU  52          HD12      LEU  52   3.632   3.250   3.250
  345   3HD1  LEU  52          HD11      LEU  52   3.402   4.225   4.225
  346   1HD2  LEU  52          HD23      LEU  52   6.547   5.218   5.218
  347   2HD2  LEU  52          HD22      LEU  52   5.592   3.717   3.717
  348   3HD2  LEU  52          HD21      LEU  52   4.848   5.321   5.321
  349    HA   PRO  53           HA       PRO  53   6.595  11.034  11.034
  350   1HB   PRO  53           HB2      PRO  53   5.528  11.059  11.059
  351   2HB   PRO  53           HB1      PRO  53   6.715  12.199  12.199
  352   1HG   PRO  53           HG1      PRO  53   7.584  10.197  10.197
  353   2HG   PRO  53           HG2      PRO  53   8.471  10.518  10.518
  354   1HD   PRO  53           HD1      PRO  53   6.395   8.325   8.325
  355   2HD   PRO  53           HD2      PRO  53   7.978   8.215   8.215
  356    H    ASP  54           HN       ASP  54   4.895  12.734  12.734
  357    HA   ASP  54           HA       ASP  54   2.584  11.780  11.780
  358   1HB   ASP  54           HB2      ASP  54   3.193  14.558  14.558
  359   2HB   ASP  54           HB1      ASP  54   1.816  14.183  14.183
  360    H    ASN  55           HN       ASN  55   3.190  12.597  12.597
  361    HA   ASN  55           HA       ASN  55   0.311  12.771  12.771
  362   1HB   ASN  55           HB2      ASN  55   0.816  13.496  13.496
  363   2HB   ASN  55           HB1      ASN  55   1.639  14.521  14.521
  364   1HD2  ASN  55          HD21      ASN  55   3.883  12.594  12.594
  365   2HD2  ASN  55          HD22      ASN  55   2.151  12.563  12.563
  366    H    VAL  56           HN       VAL  56   1.975  10.179  10.179
  367    HA   VAL  56           HA       VAL  56   0.965   8.640   8.640
  368    HB   VAL  56           HB       VAL  56   2.488   7.608   7.608
  369   1HG1  VAL  56          HG12      VAL  56   1.897   6.427   6.427
  370   2HG1  VAL  56          HG11      VAL  56   2.826   5.618   5.618
  371   3HG1  VAL  56          HG13      VAL  56   1.075   5.947   5.947
  372   1HG2  VAL  56          HG21      VAL  56   3.587   8.584   8.584
  373   2HG2  VAL  56          HG23      VAL  56   3.977   9.222   9.222
  374   3HG2  VAL  56          HG22      VAL  56   4.507   7.576   7.576
  375    H    GLY  57           HN       GLY  57  -1.139   7.815   7.815
  376   1HA   GLY  57           HA2      GLY  57  -2.209   8.253   8.253
  377   2HA   GLY  57           HA1      GLY  57  -3.123   7.910   7.910
  378    H    ILE  58           HN       ILE  58  -3.249   6.387   6.387
  379    HA   ILE  58           HA       ILE  58  -2.279   3.800   3.800
  380    HB   ILE  58           HB       ILE  58  -1.291   3.406   3.406
  381   1HG1  ILE  58          HG12      ILE  58  -1.275   6.477   6.477
  382   2HG1  ILE  58          HG11      ILE  58  -2.366   5.379   5.379
  383   1HG2  ILE  58          HG21      ILE  58  -0.072   3.963   3.963
  384   2HG2  ILE  58          HG23      ILE  58   0.183   5.622   5.622
  385   3HG2  ILE  58          HG22      ILE  58   0.859   4.192   4.192
  386   1HD1  ILE  58          HD11      ILE  58  -0.344   4.157   4.157
  387   2HD1  ILE  58          HD13      ILE  58   0.721   5.374   5.374
  388   3HD1  ILE  58          HD12      ILE  58  -0.426   5.890   5.890
  389    H    ILE  59           HN       ILE  59  -2.955   2.903   2.903
  390    HA   ILE  59           HA       ILE  59  -5.739   2.685   2.685
  391    HB   ILE  59           HB       ILE  59  -4.479   2.038   2.038
  392   1HG1  ILE  59          HG12      ILE  59  -2.994   1.002   1.002
  393   2HG1  ILE  59          HG11      ILE  59  -3.901  -0.162  -0.162
  394   1HG2  ILE  59          HG23      ILE  59  -6.924   1.113   1.113
  395   2HG2  ILE  59          HG22      ILE  59  -6.348   0.224   0.224
  396   3HG2  ILE  59          HG21      ILE  59  -6.910   1.919   1.919
  397   1HD1  ILE  59          HD12      ILE  59  -4.878   0.576   0.576
  398   2HD1  ILE  59          HD11      ILE  59  -3.668  -0.733  -0.733
  399   3HD1  ILE  59          HD13      ILE  59  -5.331  -0.822  -0.822
  400    H    VAL  60           HN       VAL  60  -7.168   4.191   4.191
  401    HA   VAL  60           HA       VAL  60  -6.653   6.320   6.320
  402    HB   VAL  60           HB       VAL  60  -6.579   6.158   6.158
  403   1HG1  VAL  60          HG13      VAL  60  -8.946   6.809   6.809
  404   2HG1  VAL  60          HG12      VAL  60  -8.549   8.244   8.244
  405   3HG1  VAL  60          HG11      VAL  60  -7.887   8.095   8.095
  406   1HG2  VAL  60          HG23      VAL  60  -4.853   7.168   7.168
  407   2HG2  VAL  60          HG22      VAL  60  -5.481   8.364   8.364
  408   3HG2  VAL  60          HG21      VAL  60  -6.018   8.447   8.447
  409    H    GLU  61           HN       GLU  61  -7.950   3.769   3.769
  410    HA   GLU  61           HA       GLU  61 -10.706   3.909   3.909
  411   1HB   GLU  61           HB2      GLU  61  -9.617   1.792   1.792
  412   2HB   GLU  61           HB1      GLU  61  -9.102   1.862   1.862
  413   1HG   GLU  61           HG2      GLU  61 -11.500   1.661   1.661
  414   2HG   GLU  61           HG1      GLU  61 -12.021   1.654   1.654
  415    H    GLY  62           HN       GLY  62 -12.428   4.227   4.227
  416   1HA   GLY  62           HA2      GLY  62 -13.072   4.955   4.955
  417   2HA   GLY  62           HA1      GLY  62 -11.956   6.307   6.307
  418    H    GLU  63           HN       GLU  63 -12.149   6.235   6.235
  419    HA   GLU  63           HA       GLU  63 -14.973   6.179   6.179
  420   1HB   GLU  63           HB2      GLU  63 -13.486   8.261   8.261
  421   2HB   GLU  63           HB1      GLU  63 -12.591   7.181   7.181
  422   1HG   GLU  63           HG2      GLU  63 -14.274   8.583   8.583
  423   2HG   GLU  63           HG1      GLU  63 -14.709   6.851   6.851
  424    H    LYS  64           HN       LYS  64 -13.963   5.314   5.314
  425    HA   LYS  64           HA       LYS  64 -13.046   2.644   2.644
  426   1HB   LYS  64           HB2      LYS  64 -15.782   3.042   3.042
  427   2HB   LYS  64           HB1      LYS  64 -15.418   2.859   2.859
  428   1HG   LYS  64           HG2      LYS  64 -16.031   0.700   0.700
  429   2HG   LYS  64           HG1      LYS  64 -14.239   0.600   0.600
  430   1HD   LYS  64           HD2      LYS  64 -14.088   1.088   1.088
  431   2HD   LYS  64           HD1      LYS  64 -15.879   1.089   1.089
  432   1HE   LYS  64           HE2      LYS  64 -14.114  -1.308  -1.308
  433   2HE   LYS  64           HE1      LYS  64 -14.898  -1.090  -1.090
  434   1HZ   LYS  64           HZ1      LYS  64 -16.309  -1.309  -1.309
  435   2HZ   LYS  64           HZ3      LYS  64 -16.155  -2.526  -2.526
  436   3HZ   LYS  64           HZ2      LYS  64 -17.034  -1.118  -1.118
  437    H    CYS  65           HN       CYS  65 -13.509   1.705   1.705
  438    HA   CYS  65           HA       CYS  65 -11.327   2.979   2.979
  439   1HB   CYS  65           HB2      CYS  65 -11.456   0.488   0.488
  440   2HB   CYS  65           HB1      CYS  65 -13.098   0.503   0.503
  441    H    HIS  66           HN       HIS  66 -11.493   3.915   3.915
  442    HA   HIS  66           HA       HIS  66 -14.046   3.772   3.772
  443   1HB   HIS  66           HB2      HIS  66 -13.950   6.203   6.203
  444   2HB   HIS  66           HB1      HIS  66 -14.275   6.025   6.025
  445    HD1  HIS  66           HD1      HIS  66 -11.754   7.421   7.421
  446    HD2  HIS  66           HD2      HIS  66 -12.110   6.765   6.765
  447    HE1  HIS  66           HE1      HIS  66  -9.954   8.786   8.786
  448    HE2  HIS  66           HE2      HIS  66 -10.207   8.369   8.369
  449    H    SER  67           HN       SER  67 -13.342   3.981   3.981
  450    HA   SER  67           HA       SER  67 -10.815   4.470   4.470
  451   1HB   SER  67           HB2      SER  67 -11.495   1.471   1.471
  452   2HB   SER  67           HB1      SER  67 -10.277   1.986   1.986
  453    HG   SER  67           HG       SER  67 -10.144   2.856   2.856
  454   1HN   NH2  68           H1       NH2  68 -11.078   3.292   3.292
  455   2HN   NH2  68           H2       NH2  68 -12.714   3.303   3.303

  Start of MODEL   23
    1   1H    VAL   1           HT2      VAL   1   6.673  12.264  12.264
    2   2H    VAL   1           HT1      VAL   1   8.074  11.447  11.447
    3   3H    VAL   1           HT3      VAL   1   8.101  12.387  12.387
    4    HA   VAL   1           HA       VAL   1   6.595  10.953  10.953
    5    HB   VAL   1           HB       VAL   1   7.967   8.814   8.814
    6   1HG1  VAL   1          HG13      VAL   1   8.452  10.819  10.819
    7   2HG1  VAL   1          HG12      VAL   1   9.541  11.462  11.462
    8   3HG1  VAL   1          HG11      VAL   1   9.932   9.914   9.914
    9   1HG2  VAL   1          HG23      VAL   1   8.608   8.708   8.708
   10   2HG2  VAL   1          HG22      VAL   1  10.039   8.675   8.675
   11   3HG2  VAL   1          HG21      VAL   1   9.625  10.184  10.184
   12    H    ARG   2           HN       ARG   2   5.860   8.511   8.511
   13    HA   ARG   2           HA       ARG   2   4.223   8.171   8.171
   14   1HB   ARG   2           HB2      ARG   2   3.744   7.182   7.182
   15   2HB   ARG   2           HB1      ARG   2   2.534   7.179   7.179
   16   1HG   ARG   2           HG2      ARG   2   2.215   9.592   9.592
   17   2HG   ARG   2           HG1      ARG   2   3.767   9.789   9.789
   18   1HD   ARG   2           HD2      ARG   2   2.335  10.025  10.025
   19   2HD   ARG   2           HD1      ARG   2   2.835   8.313   8.313
   20    HE   ARG   2           HE       ARG   2   0.637   7.618   7.618
   21   1HH1  ARG   2          HH21      ARG   2   0.928  11.153  11.153
   22   2HH1  ARG   2          HH22      ARG   2  -0.780  11.403  11.403
   23   1HH2  ARG   2          HH11      ARG   2  -1.666   8.000   8.000
   24   2HH2  ARG   2          HH12      ARG   2  -2.260   9.608   9.608
   25    H    ASP   3           HN       ASP   3   3.753   5.734   5.734
   26    HA   ASP   3           HA       ASP   3   5.265   3.888   3.888
   27   1HB   ASP   3           HB2      ASP   3   5.045   3.681   3.681
   28   2HB   ASP   3           HB1      ASP   3   5.756   2.458   2.458
   29    H    GLY   4           HN       GLY   4   3.546   2.242   2.242
   30   1HA   GLY   4           HA2      GLY   4   1.458   2.066   2.066
   31   2HA   GLY   4           HA1      GLY   4   0.970   2.950   2.950
   32    H    TYR   5           HN       TYR   5  -0.369   0.698   0.698
   33    HA   TYR   5           HA       TYR   5   0.799  -1.314  -1.314
   34   1HB   TYR   5           HB2      TYR   5  -2.048  -0.684  -0.684
   35   2HB   TYR   5           HB1      TYR   5  -1.767  -1.879  -1.879
   36    HD1  TYR   5           HD1      TYR   5  -0.347  -3.924  -3.924
   37    HD2  TYR   5           HD2      TYR   5  -1.637  -1.232  -1.232
   38    HE1  TYR   5           HE1      TYR   5   0.093  -5.654  -5.654
   39    HE2  TYR   5           HE2      TYR   5  -1.195  -2.964  -2.964
   40    HH   TYR   5           HH       TYR   5  -0.737  -6.256  -6.256
   41    H    ILE   6           HN       ILE   6   0.692  -1.104  -1.104
   42    HA   ILE   6           HA       ILE   6  -0.083   1.626   1.626
   43    HB   ILE   6           HB       ILE   6   2.215   0.942   0.942
   44   1HG1  ILE   6          HG12      ILE   6   0.238   1.919   1.919
   45   2HG1  ILE   6          HG11      ILE   6   1.202   2.902   2.902
   46   1HG2  ILE   6          HG22      ILE   6   1.449  -1.403  -1.403
   47   2HG2  ILE   6          HG21      ILE   6   0.834  -0.719  -0.719
   48   3HG2  ILE   6          HG23      ILE   6   2.588  -0.616  -0.616
   49   1HD1  ILE   6          HD12      ILE   6   3.313   2.047   2.047
   50   2HD1  ILE   6          HD11      ILE   6   2.233   1.256   1.256
   51   3HD1  ILE   6          HD13      ILE   6   2.221   3.042   3.042
   52    H    ALA   7           HN       ALA   7  -1.596   2.042   2.042
   53    HA   ALA   7           HA       ALA   7  -3.466  -0.031  -0.031
   54   1HB   ALA   7           HB1      ALA   7  -4.401   1.945   1.945
   55   2HB   ALA   7           HB3      ALA   7  -3.770   3.053   3.053
   56   3HB   ALA   7           HB2      ALA   7  -5.088   1.875   1.875
   57    H    GLN   8           HN       GLN   8  -4.476   2.151   2.151
   58    HA   GLN   8           HA       GLN   8  -2.478   2.333   2.333
   59   1HB   GLN   8           HB2      GLN   8  -5.523   1.719   1.719
   60   2HB   GLN   8           HB1      GLN   8  -4.404   2.070   2.070
   61   1HG   GLN   8           HG2      GLN   8  -3.186  -0.020  -0.020
   62   2HG   GLN   8           HG1      GLN   8  -4.055  -0.348  -0.348
   63   1HE2  GLN   8          HE21      GLN   8  -6.849  -1.871  -1.871
   64   2HE2  GLN   8          HE22      GLN   8  -5.998  -1.491  -1.491
   65    HA   PRO   9           HA       PRO   9  -3.178   5.754   5.754
   66   1HB   PRO   9           HB2      PRO   9  -2.555   7.935   7.935
   67   2HB   PRO   9           HB1      PRO   9  -1.408   6.597   6.597
   68   1HG   PRO   9           HG1      PRO   9  -3.289   6.794   6.794
   69   2HG   PRO   9           HG2      PRO   9  -1.495   6.533   6.533
   70   1HD   PRO   9           HD1      PRO   9  -3.205   4.388   4.388
   71   2HD   PRO   9           HD2      PRO   9  -1.741   4.311   4.311
   72    H    GLU  10           HN       GLU  10  -5.935   5.124   5.124
   73    HA   GLU  10           HA       GLU  10  -7.171   7.801   7.801
   74   1HB   GLU  10           HB2      GLU  10  -8.162   4.989   4.989
   75   2HB   GLU  10           HB1      GLU  10  -9.189   6.463   6.463
   76   1HG   GLU  10           HG2      GLU  10  -6.635   6.133   6.133
   77   2HG   GLU  10           HG1      GLU  10  -8.294   5.767   5.767
   78    H    ASN  11           HN       ASN  11  -8.388   4.577   4.577
   79    HA   ASN  11           HA       ASN  11  -7.584   4.847   4.847
   80   1HB   ASN  11           HB2      ASN  11  -9.826   6.360   6.360
   81   2HB   ASN  11           HB1      ASN  11 -10.670   4.836   4.836
   82   1HD2  ASN  11          HD21      ASN  11  -9.719   3.539   3.539
   83   2HD2  ASN  11          HD22      ASN  11 -10.161   2.960   2.960
   84    H    CYS  12           HN       CYS  12  -7.158   2.420   2.420
   85    HA   CYS  12           HA       CYS  12  -8.996   0.658   0.658
   86   1HB   CYS  12           HB2      CYS  12  -6.754   1.595   1.595
   87   2HB   CYS  12           HB1      CYS  12  -7.099  -0.144  -0.144
   88    H    VAL  13           HN       VAL  13  -7.011  -1.416  -1.416
   89    HA   VAL  13           HA       VAL  13  -4.959  -1.126  -1.126
   90    HB   VAL  13           HB       VAL  13  -5.016  -3.726  -3.726
   91   1HG1  VAL  13          HG12      VAL  13  -7.112  -2.120  -2.120
   92   2HG1  VAL  13          HG11      VAL  13  -6.581  -3.812  -3.812
   93   3HG1  VAL  13          HG13      VAL  13  -5.401  -2.476  -2.476
   94   1HG2  VAL  13          HG21      VAL  13  -6.766  -4.023  -4.023
   95   2HG2  VAL  13          HG23      VAL  13  -7.166  -4.836  -4.836
   96   3HG2  VAL  13          HG22      VAL  13  -7.994  -3.289  -3.289
   97    H    TYR  14           HN       TYR  14  -3.188  -2.643  -2.643
   98    HA   TYR  14           HA       TYR  14  -3.781  -2.773  -2.773
   99   1HB   TYR  14           HB2      TYR  14  -1.306  -2.300  -2.300
  100   2HB   TYR  14           HB1      TYR  14  -1.139  -3.874  -3.874
  101    HD1  TYR  14           HD2      TYR  14  -2.632  -3.628  -3.628
  102    HD2  TYR  14           HD1      TYR  14  -0.061  -0.840  -0.840
  103    HE1  TYR  14           HE2      TYR  14  -2.150  -2.523  -2.523
  104    HE2  TYR  14           HE1      TYR  14   0.405   0.289   0.289
  105    HH   TYR  14           HH       TYR  14  -1.157  -0.710  -0.710
  106    H    HIS  15           HN       HIS  15  -2.088  -5.387  -5.387
  107    HA   HIS  15           HA       HIS  15  -3.313  -7.097  -7.097
  108   1HB   HIS  15           HB2      HIS  15  -3.597  -7.529  -7.529
  109   2HB   HIS  15           HB1      HIS  15  -3.871  -8.786  -8.786
  110    HD1  HIS  15           HD1      HIS  15  -5.657  -6.224  -6.224
  111    HD2  HIS  15           HD2      HIS  15  -6.043  -7.898  -7.898
  112    HE1  HIS  15           HE1      HIS  15  -7.970  -5.627  -5.627
  113    HE2  HIS  15           HE2      HIS  15  -8.160  -6.659  -6.659
  114    H    CYS  16           HN       CYS  16  -1.736  -9.125  -9.125
  115    HA   CYS  16           HA       CYS  16   0.554  -8.656  -8.656
  116   1HB   CYS  16           HB2      CYS  16   1.024  -6.992  -6.992
  117   2HB   CYS  16           HB1      CYS  16   0.692  -8.279  -8.279
  118    H    PHE  17           HN       PHE  17   1.687 -10.629 -10.629
  119    HA   PHE  17           HA       PHE  17  -0.261 -12.698 -12.698
  120   1HB   PHE  17           HB2      PHE  17   2.709 -12.795 -12.795
  121   2HB   PHE  17           HB1      PHE  17   1.449 -14.052 -14.052
  122    HD1  PHE  17           HD2      PHE  17  -0.659 -13.252 -13.252
  123    HD2  PHE  17           HD1      PHE  17   3.016 -11.020 -11.020
  124    HE1  PHE  17           HE2      PHE  17  -1.185 -12.207 -12.207
  125    HE2  PHE  17           HE1      PHE  17   2.476  -9.975  -9.975
  126    HZ   PHE  17           HZ       PHE  17   0.375 -10.556 -10.556
  127    HA   PRO  18           HA       PRO  18   2.267 -13.325 -13.325
  128   1HB   PRO  18           HB2      PRO  18   2.664 -16.211 -16.211
  129   2HB   PRO  18           HB1      PRO  18   2.280 -15.664 -15.664
  130   1HG   PRO  18           HG1      PRO  18   0.292 -16.638 -16.638
  131   2HG   PRO  18           HG2      PRO  18  -0.005 -15.128 -15.128
  132   1HD   PRO  18           HD1      PRO  18   0.703 -15.349 -15.349
  133   2HD   PRO  18           HD2      PRO  18  -0.489 -14.263 -14.263
  134    H    GLY  19           HN       GLY  19   3.812 -12.216 -12.216
  135   1HA   GLY  19           HA2      GLY  19   6.368 -12.691 -12.691
  136   2HA   GLY  19           HA1      GLY  19   6.064 -13.576 -13.576
  137    H    SER  20           HN       SER  20   7.551 -10.854 -10.854
  138    HA   SER  20           HA       SER  20   5.760  -8.867  -8.867
  139   1HB   SER  20           HB2      SER  20   8.793  -8.647  -8.647
  140   2HB   SER  20           HB1      SER  20   7.660  -7.445  -7.445
  141    HG   SER  20           HG       SER  20   8.995  -8.651  -8.651
  142    H    SER  21           HN       SER  21   7.224 -10.938 -10.938
  143    HA   SER  21           HA       SER  21   8.818  -9.642  -9.642
  144   1HB   SER  21           HB2      SER  21   6.734 -11.417 -11.417
  145   2HB   SER  21           HB1      SER  21   8.495 -11.268 -11.268
  146    HG   SER  21           HG       SER  21   8.205 -13.063 -13.063
  147    H    GLY  22           HN       GLY  22   5.359  -9.438  -9.438
  148   1HA   GLY  22           HA2      GLY  22   6.202  -7.742  -7.742
  149   2HA   GLY  22           HA1      GLY  22   4.522  -8.179  -8.179
  150    H    CYS  23           HN       CYS  23   4.953  -7.221  -7.221
  151    HA   CYS  23           HA       CYS  23   4.140  -4.531  -4.531
  152   1HB   CYS  23           HB2      CYS  23   2.853  -6.084  -6.084
  153   2HB   CYS  23           HB1      CYS  23   4.124  -5.630  -5.630
  154    H    ASP  24           HN       ASP  24   6.934  -6.214  -6.214
  155    HA   ASP  24           HA       ASP  24   8.248  -4.216  -4.216
  156   1HB   ASP  24           HB2      ASP  24   8.955  -6.692  -6.692
  157   2HB   ASP  24           HB1      ASP  24   9.513  -6.262  -6.262
  158    H    THR  25           HN       THR  25   8.181  -5.022  -5.022
  159    HA   THR  25           HA       THR  25   9.516  -2.762  -2.762
  160    HB   THR  25           HB       THR  25   7.575  -3.316  -3.316
  161    HG1  THR  25           HG1      THR  25   6.887  -5.164  -5.164
  162   1HG2  THR  25          HG23      THR  25  10.393  -4.492  -4.492
  163   2HG2  THR  25          HG22      THR  25   9.534  -4.516  -4.516
  164   3HG2  THR  25          HG21      THR  25  10.029  -2.944  -2.944
  165    H    LEU  26           HN       LEU  26   5.951  -3.191  -3.191
  166    HA   LEU  26           HA       LEU  26   5.255  -0.688  -0.688
  167   1HB   LEU  26           HB2      LEU  26   3.846  -2.304  -2.304
  168   2HB   LEU  26           HB1      LEU  26   3.117  -0.934  -0.934
  169    HG   LEU  26           HG       LEU  26   4.037  -3.558  -3.558
  170   1HD1  LEU  26          HD11      LEU  26   2.090  -3.872  -3.872
  171   2HD1  LEU  26          HD13      LEU  26   1.170  -2.650  -2.650
  172   3HD1  LEU  26          HD12      LEU  26   1.673  -4.190  -4.190
  173   1HD2  LEU  26          HD22      LEU  26   2.433  -1.175  -1.175
  174   2HD2  LEU  26          HD21      LEU  26   4.083  -1.713  -1.713
  175   3HD2  LEU  26          HD23      LEU  26   2.668  -2.766  -2.766
  176    H    CYS  27           HN       CYS  27   6.004  -1.726  -1.726
  177    HA   CYS  27           HA       CYS  27   5.515   0.667   0.667
  178   1HB   CYS  27           HB2      CYS  27   5.998  -1.621  -1.621
  179   2HB   CYS  27           HB1      CYS  27   7.722  -1.401  -1.401
  180    H    LYS  28           HN       LYS  28   8.500  -0.569  -0.569
  181    HA   LYS  28           HA       LYS  28  10.010   1.647   1.647
  182   1HB   LYS  28           HB2      LYS  28  10.535  -0.583  -0.583
  183   2HB   LYS  28           HB1      LYS  28  11.719   0.760   0.760
  184   1HG   LYS  28           HG2      LYS  28  11.945   0.311   0.311
  185   2HG   LYS  28           HG1      LYS  28  10.552  -0.821  -0.821
  186   1HD   LYS  28           HD2      LYS  28  11.786  -2.527  -2.527
  187   2HD   LYS  28           HD1      LYS  28  13.143  -1.394  -1.394
  188   1HE   LYS  28           HE2      LYS  28  13.693  -2.995  -2.995
  189   2HE   LYS  28           HE1      LYS  28  13.760  -1.261  -1.261
  190   1HZ   LYS  28           HZ1      LYS  28  11.509  -3.143  -3.143
  191   2HZ   LYS  28           HZ3      LYS  28  12.676  -2.645  -2.645
  192   3HZ   LYS  28           HZ2      LYS  28  11.581  -1.516  -1.516
  193    H    GLU  29           HN       GLU  29   8.266   1.001   1.001
  194    HA   GLU  29           HA       GLU  29   9.367   3.340   3.340
  195   1HB   GLU  29           HB2      GLU  29   7.801   3.105   3.105
  196   2HB   GLU  29           HB1      GLU  29   8.531   1.519   1.519
  197   1HG   GLU  29           HG2      GLU  29   6.412   0.959   0.959
  198   2HG   GLU  29           HG1      GLU  29   5.677   2.503   2.503
  199    H    LYS  30           HN       LYS  30   6.781   2.961   2.961
  200    HA   LYS  30           HA       LYS  30   5.815   5.666   5.666
  201   1HB   LYS  30           HB2      LYS  30   4.800   3.552   3.552
  202   2HB   LYS  30           HB1      LYS  30   4.112   5.204   5.204
  203   1HG   LYS  30           HG2      LYS  30   3.668   4.717   4.717
  204   2HG   LYS  30           HG1      LYS  30   4.265   3.040   3.040
  205   1HD   LYS  30           HD2      LYS  30   2.422   2.631   2.631
  206   2HD   LYS  30           HD1      LYS  30   1.863   4.329   4.329
  207   1HE   LYS  30           HE2      LYS  30   0.439   2.759   2.759
  208   2HE   LYS  30           HE1      LYS  30   1.331   3.883   3.883
  209   1HZ   LYS  30           HZ1      LYS  30   2.939   2.135   2.135
  210   2HZ   LYS  30           HZ3      LYS  30   2.093   1.080   1.080
  211   3HZ   LYS  30           HZ2      LYS  30   1.369   1.630   1.630
  212    H    GLY  31           HN       GLY  31   8.364   4.259   4.259
  213   1HA   GLY  31           HA2      GLY  31   9.910   5.486   5.486
  214   2HA   GLY  31           HA1      GLY  31   8.718   6.784   6.784
  215    H    GLY  32           HN       GLY  32   8.232   3.327   3.327
  216   1HA   GLY  32           HA2      GLY  32   8.795   4.035   4.035
  217   2HA   GLY  32           HA1      GLY  32   7.830   2.652   2.652
  218    H    THR  33           HN       THR  33  10.755   3.258   3.258
  219    HA   THR  33           HA       THR  33  12.391   1.942   1.942
  220    HB   THR  33           HB       THR  33  14.214   2.834   2.834
  221    HG1  THR  33           HG1      THR  33  13.515   4.325   4.325
  222   1HG2  THR  33          HG22      THR  33  13.489   3.925   3.925
  223   2HG2  THR  33          HG21      THR  33  12.181   4.802   4.802
  224   3HG2  THR  33          HG23      THR  33  13.906   5.158   5.158
  225    H    SER  34           HN       SER  34  10.392   0.816   0.816
  226    HA   SER  34           HA       SER  34  11.715  -1.626  -1.626
  227   1HB   SER  34           HB2      SER  34  11.455  -0.225  -0.225
  228   2HB   SER  34           HB1      SER  34  11.571  -2.020  -2.020
  229    HG   SER  34           HG       SER  34  13.456  -0.352  -0.352
  230    H    GLY  35           HN       GLY  35   9.886  -3.226  -3.226
  231   1HA   GLY  35           HA2      GLY  35   7.447  -2.163  -2.163
  232   2HA   GLY  35           HA1      GLY  35   7.608  -2.531  -2.531
  233    H    HIS  36           HN       HIS  36   5.974  -4.381  -4.381
  234    HA   HIS  36           HA       HIS  36   7.348  -6.768  -6.768
  235   1HB   HIS  36           HB2      HIS  36   6.039  -5.897  -5.897
  236   2HB   HIS  36           HB1      HIS  36   6.580  -7.564  -7.564
  237    HD1  HIS  36           HD1      HIS  36   7.748  -4.516  -4.516
  238    HD2  HIS  36           HD2      HIS  36   9.558  -7.654  -7.654
  239    HE1  HIS  36           HE1      HIS  36  10.231  -4.444  -4.444
  240    HE2  HIS  36           HE2      HIS  36  11.285  -6.345  -6.345
  241    H    CYS  37           HN       CYS  37   4.949  -8.183  -8.183
  242    HA   CYS  37           HA       CYS  37   2.723  -6.628  -6.628
  243   1HB   CYS  37           HB2      CYS  37   3.422  -9.386  -9.386
  244   2HB   CYS  37           HB1      CYS  37   1.841  -8.553  -8.553
  245    H    GLY  38           HN       GLY  38   0.736  -7.807  -7.807
  246   1HA   GLY  38           HA2      GLY  38   0.940  -9.855  -9.855
  247   2HA   GLY  38           HA1      GLY  38   1.507  -8.324  -8.324
  248    H    PHE  39           HN       PHE  39  -0.862  -8.512  -8.512
  249    HA   PHE  39           HA       PHE  39  -2.619  -6.916  -6.916
  250   1HB   PHE  39           HB2      PHE  39  -3.290  -9.266  -9.266
  251   2HB   PHE  39           HB1      PHE  39  -3.404  -9.799  -9.799
  252    HD1  PHE  39           HD2      PHE  39  -4.789  -6.911  -6.911
  253    HD2  PHE  39           HD1      PHE  39  -5.550  -9.944  -9.944
  254    HE1  PHE  39           HE2      PHE  39  -7.194  -6.428  -6.428
  255    HE2  PHE  39           HE1      PHE  39  -7.945  -9.360  -9.360
  256    HZ   PHE  39           HZ       PHE  39  -8.784  -7.643  -7.643
  257    H    LYS  40           HN       LYS  40  -4.517  -6.934  -6.934
  258    HA   LYS  40           HA       LYS  40  -5.140  -7.229  -7.229
  259   1HB   LYS  40           HB2      LYS  40  -2.948  -7.398  -7.398
  260   2HB   LYS  40           HB1      LYS  40  -2.569  -5.710  -5.710
  261   1HG   LYS  40           HG2      LYS  40  -3.345  -5.892  -5.892
  262   2HG   LYS  40           HG1      LYS  40  -4.372  -4.825  -4.825
  263   1HD   LYS  40           HD2      LYS  40  -6.060  -6.755  -6.755
  264   2HD   LYS  40           HD1      LYS  40  -5.032  -7.707  -7.707
  265   1HE   LYS  40           HE2      LYS  40  -6.942  -6.677  -6.677
  266   2HE   LYS  40           HE1      LYS  40  -5.398  -5.912  -5.912
  267   1HZ   LYS  40           HZ1      LYS  40  -7.226  -4.793  -4.793
  268   2HZ   LYS  40           HZ3      LYS  40  -7.168  -4.325  -4.325
  269   3HZ   LYS  40           HZ2      LYS  40  -5.826  -4.065  -4.065
  270    H    VAL  41           HN       VAL  41  -6.460  -6.162  -6.162
  271    HA   VAL  41           HA       VAL  41  -6.507  -3.359  -3.359
  272    HB   VAL  41           HB       VAL  41  -6.374  -4.613  -4.613
  273   1HG1  VAL  41          HG11      VAL  41  -5.970  -1.787  -1.787
  274   2HG1  VAL  41          HG13      VAL  41  -5.734  -2.222  -2.222
  275   3HG1  VAL  41          HG12      VAL  41  -7.375  -2.344  -2.344
  276   1HG2  VAL  41          HG23      VAL  41  -3.958  -3.504  -3.504
  277   2HG2  VAL  41          HG22      VAL  41  -4.149  -5.164  -5.164
  278   3HG2  VAL  41          HG21      VAL  41  -4.002  -3.769  -3.769
  279    H    GLY  42           HN       GLY  42  -8.623  -3.383  -3.383
  280   1HA   GLY  42           HA2      GLY  42 -10.322  -5.617  -5.617
  281   2HA   GLY  42           HA1      GLY  42 -10.817  -3.886  -3.886
  282    H    HIS  43           HN       HIS  43  -9.403  -6.089  -6.089
  283    HA   HIS  43           HA       HIS  43 -11.422  -5.583  -5.583
  284   1HB   HIS  43           HB2      HIS  43  -8.651  -4.418  -4.418
  285   2HB   HIS  43           HB1      HIS  43  -9.798  -4.902  -4.902
  286    HD1  HIS  43           HD1      HIS  43  -8.725  -1.914  -1.914
  287    HD2  HIS  43           HD2      HIS  43 -12.598  -3.526  -3.526
  288    HE1  HIS  43           HE1      HIS  43 -10.344   0.032   0.032
  289    HE2  HIS  43           HE2      HIS  43 -12.672  -0.986  -0.986
  290    H    GLY  44           HN       GLY  44  -8.154  -6.419  -6.419
  291   1HA   GLY  44           HA2      GLY  44  -8.994  -9.243  -9.243
  292   2HA   GLY  44           HA1      GLY  44  -8.276  -8.498  -8.498
  293    H    LEU  45           HN       LEU  45  -6.014  -7.396  -7.396
  294    HA   LEU  45           HA       LEU  45  -4.489  -8.512  -8.512
  295   1HB   LEU  45           HB2      LEU  45  -4.397 -10.309 -10.309
  296   2HB   LEU  45           HB1      LEU  45  -3.486  -9.060  -9.060
  297    HG   LEU  45           HG       LEU  45  -2.278  -9.223  -9.223
  298   1HD1  LEU  45          HD12      LEU  45  -3.475 -11.410 -11.410
  299   2HD1  LEU  45          HD11      LEU  45  -2.707 -12.066 -12.066
  300   3HD1  LEU  45          HD13      LEU  45  -1.683 -11.611 -11.611
  301   1HD2  LEU  45          HD23      LEU  45  -1.128  -8.806  -8.806
  302   2HD2  LEU  45          HD22      LEU  45  -0.288 -10.009 -10.009
  303   3HD2  LEU  45          HD21      LEU  45  -1.268 -10.568 -10.568
  304    H    ALA  46           HN       ALA  46  -2.094  -7.074  -7.074
  305    HA   ALA  46           HA       ALA  46  -2.949  -4.874  -4.874
  306   1HB   ALA  46           HB2      ALA  46  -2.249  -4.495  -4.495
  307   2HB   ALA  46           HB1      ALA  46  -2.392  -3.147  -3.147
  308   3HB   ALA  46           HB3      ALA  46  -3.841  -4.104  -4.104
  309    H    CYS  47           HN       CYS  47  -0.567  -3.342  -3.342
  310    HA   CYS  47           HA       CYS  47   1.434  -5.468  -5.468
  311   1HB   CYS  47           HB2      CYS  47   2.438  -3.047  -3.047
  312   2HB   CYS  47           HB1      CYS  47   3.010  -4.713  -4.713
  313    H    TRP  48           HN       TRP  48   3.531  -3.973  -3.973
  314    HA   TRP  48           HA       TRP  48   2.496  -1.867  -1.867
  315   1HB   TRP  48           HB2      TRP  48   3.102  -3.859  -3.859
  316   2HB   TRP  48           HB1      TRP  48   4.669  -3.985  -3.985
  317    HD1  TRP  48           HD1      TRP  48   6.581  -2.105  -2.105
  318    HE1  TRP  48           HE1      TRP  48   6.813  -0.449  -0.449
  319    HE3  TRP  48           HE3      TRP  48   1.894  -2.603  -2.603
  320    HZ2  TRP  48           HZ2      TRP  48   5.216   0.401   0.401
  321    HZ3  TRP  48           HZ3      TRP  48   1.290  -1.336  -1.336
  322    HH2  TRP  48           HH2      TRP  48   2.932   0.140   0.140
  323    H    CYS  49           HN       CYS  49   4.116  -0.056  -0.056
  324    HA   CYS  49           HA       CYS  49   6.469  -0.367  -0.367
  325   1HB   CYS  49           HB2      CYS  49   4.384   1.804   1.804
  326   2HB   CYS  49           HB1      CYS  49   6.127   2.012   2.012
  327    H    ASN  50           HN       ASN  50   8.114   1.019   1.019
  328    HA   ASN  50           HA       ASN  50   7.362   2.623   2.623
  329   1HB   ASN  50           HB2      ASN  50   9.670   0.750   0.750
  330   2HB   ASN  50           HB1      ASN  50  10.210   2.371   2.371
  331   1HD2  ASN  50          HD21      ASN  50   9.669   1.630   1.630
  332   2HD2  ASN  50          HD22      ASN  50  10.524   2.529   2.529
  333    H    ALA  51           HN       ALA  51   8.028   4.739   4.739
  334    HA   ALA  51           HA       ALA  51   8.968   6.570   6.570
  335   1HB   ALA  51           HB3      ALA  51  11.166   5.397   5.397
  336   2HB   ALA  51           HB2      ALA  51  10.985   5.057   5.057
  337   3HB   ALA  51           HB1      ALA  51  11.144   6.758   6.758
  338    H    LEU  52           HN       LEU  52   6.676   6.062   6.062
  339    HA   LEU  52           HA       LEU  52   7.146   6.642   6.642
  340   1HB   LEU  52           HB2      LEU  52   4.565   6.352   6.352
  341   2HB   LEU  52           HB1      LEU  52   4.556   7.011   7.011
  342    HG   LEU  52           HG       LEU  52   5.712   4.260   4.260
  343   1HD1  LEU  52          HD12      LEU  52   2.876   5.036   5.036
  344   2HD1  LEU  52          HD11      LEU  52   3.533   3.357   3.357
  345   3HD1  LEU  52          HD13      LEU  52   3.315   4.277   4.277
  346   1HD2  LEU  52          HD22      LEU  52   6.469   5.318   5.318
  347   2HD2  LEU  52          HD21      LEU  52   5.523   3.806   3.806
  348   3HD2  LEU  52          HD23      LEU  52   4.764   5.402   5.402
  349    HA   PRO  53           HA       PRO  53   6.905  10.939  10.939
  350   1HB   PRO  53           HB2      PRO  53   6.683  12.180  12.180
  351   2HB   PRO  53           HB1      PRO  53   8.214  11.474  11.474
  352   1HG   PRO  53           HG1      PRO  53   6.237  10.215  10.215
  353   2HG   PRO  53           HG2      PRO  53   8.042  10.225  10.225
  354   1HD   PRO  53           HD1      PRO  53   6.514   8.085   8.085
  355   2HD   PRO  53           HD2      PRO  53   8.182   8.443   8.443
  356    H    ASP  54           HN       ASP  54   5.411  12.852  12.852
  357    HA   ASP  54           HA       ASP  54   2.913  12.014  12.014
  358   1HB   ASP  54           HB2      ASP  54   3.874  14.802  14.802
  359   2HB   ASP  54           HB1      ASP  54   2.345  14.461  14.461
  360    H    ASN  55           HN       ASN  55   3.960  12.366  12.366
  361    HA   ASN  55           HA       ASN  55   1.392  13.357  13.357
  362   1HB   ASN  55           HB2      ASN  55   2.387  13.328  13.328
  363   2HB   ASN  55           HB1      ASN  55   3.410  14.253  14.253
  364   1HD2  ASN  55          HD22      ASN  55   4.987  10.977  10.977
  365   2HD2  ASN  55          HD21      ASN  55   3.399  11.590  11.590
  366    H    VAL  56           HN       VAL  56   2.411  10.389  10.389
  367    HA   VAL  56           HA       VAL  56   1.061   8.935   8.935
  368    HB   VAL  56           HB       VAL  56   2.529   7.579   7.579
  369   1HG1  VAL  56          HG12      VAL  56   1.966   6.908   6.908
  370   2HG1  VAL  56          HG11      VAL  56   2.957   5.897   5.897
  371   3HG1  VAL  56          HG13      VAL  56   1.217   6.108   6.108
  372   1HG2  VAL  56          HG23      VAL  56   3.803   8.905   8.905
  373   2HG2  VAL  56          HG22      VAL  56   4.184   9.223   9.223
  374   3HG2  VAL  56          HG21      VAL  56   4.608   7.651   7.651
  375    H    GLY  57           HN       GLY  57  -0.238   6.857   6.857
  376   1HA   GLY  57           HA2      GLY  57  -1.657   8.100   8.100
  377   2HA   GLY  57           HA1      GLY  57  -2.558   7.690   7.690
  378    H    ILE  58           HN       ILE  58  -3.150   6.063   6.063
  379    HA   ILE  58           HA       ILE  58  -1.967   3.598   3.598
  380    HB   ILE  58           HB       ILE  58  -1.228   3.374   3.374
  381   1HG1  ILE  58          HG12      ILE  58  -1.146   6.431   6.431
  382   2HG1  ILE  58          HG11      ILE  58  -2.421   5.459   5.459
  383   1HG2  ILE  58          HG21      ILE  58   0.414   3.665   3.665
  384   2HG2  ILE  58          HG23      ILE  58   0.533   5.396   5.396
  385   3HG2  ILE  58          HG22      ILE  58   1.055   4.130   4.130
  386   1HD1  ILE  58          HD13      ILE  58  -0.671   4.300   4.300
  387   2HD1  ILE  58          HD12      ILE  58   0.605   5.346   5.346
  388   3HD1  ILE  58          HD11      ILE  58  -0.693   6.078   6.078
  389    H    ILE  59           HN       ILE  59  -3.005   2.525   2.525
  390    HA   ILE  59           HA       ILE  59  -5.704   2.719   2.719
  391    HB   ILE  59           HB       ILE  59  -4.843   1.852   1.852
  392   1HG1  ILE  59          HG12      ILE  59  -3.157   0.794   0.794
  393   2HG1  ILE  59          HG11      ILE  59  -4.367  -0.385  -0.385
  394   1HG2  ILE  59          HG22      ILE  59  -6.997   0.933   0.933
  395   2HG2  ILE  59          HG21      ILE  59  -6.698   0.182   0.182
  396   3HG2  ILE  59          HG23      ILE  59  -7.258   1.874   1.874
  397   1HD1  ILE  59          HD13      ILE  59  -5.389  -0.304  -0.304
  398   2HD1  ILE  59          HD12      ILE  59  -3.928   0.632   0.632
  399   3HD1  ILE  59          HD11      ILE  59  -3.738  -1.032  -1.032
  400    H    VAL  60           HN       VAL  60  -7.383   3.864   3.864
  401    HA   VAL  60           HA       VAL  60  -7.088   5.731   5.731
  402    HB   VAL  60           HB       VAL  60  -7.736   6.384   6.384
  403   1HG1  VAL  60          HG11      VAL  60  -8.368   8.054   8.054
  404   2HG1  VAL  60          HG13      VAL  60  -8.349   8.703   8.703
  405   3HG1  VAL  60          HG12      VAL  60  -9.519   7.424   7.424
  406   1HG2  VAL  60          HG23      VAL  60  -5.675   7.621   7.621
  407   2HG2  VAL  60          HG22      VAL  60  -5.318   6.577   6.577
  408   3HG2  VAL  60          HG21      VAL  60  -6.025   8.206   8.206
  409    H    GLU  61           HN       GLU  61  -9.912   6.119   6.119
  410    HA   GLU  61           HA       GLU  61 -11.215   4.248   4.248
  411   1HB   GLU  61           HB2      GLU  61 -10.478   2.753   2.753
  412   2HB   GLU  61           HB1      GLU  61 -11.406   3.851   3.851
  413   1HG   GLU  61           HG2      GLU  61 -12.665   1.769   1.769
  414   2HG   GLU  61           HG1      GLU  61 -13.523   3.205   3.205
  415    H    GLY  62           HN       GLY  62 -13.588   4.838   4.838
  416   1HA   GLY  62           HA2      GLY  62 -14.821   6.805   6.805
  417   2HA   GLY  62           HA1      GLY  62 -13.495   7.741   7.741
  418    H    GLU  63           HN       GLU  63 -12.912   5.985   5.985
  419    HA   GLU  63           HA       GLU  63 -15.325   6.071   6.071
  420   1HB   GLU  63           HB2      GLU  63 -12.751   6.947   6.947
  421   2HB   GLU  63           HB1      GLU  63 -12.771   5.402   5.402
  422   1HG   GLU  63           HG2      GLU  63 -14.858   7.663   7.663
  423   2HG   GLU  63           HG1      GLU  63 -13.462   7.407   7.407
  424    H    LYS  64           HN       LYS  64 -12.723   3.692   3.692
  425    HA   LYS  64           HA       LYS  64 -13.637   1.430   1.430
  426   1HB   LYS  64           HB2      LYS  64 -15.904   2.115   2.115
  427   2HB   LYS  64           HB1      LYS  64 -15.011   1.831   1.831
  428   1HG   LYS  64           HG2      LYS  64 -16.372  -0.094  -0.094
  429   2HG   LYS  64           HG1      LYS  64 -14.669  -0.613  -0.613
  430   1HD   LYS  64           HD2      LYS  64 -14.839  -0.297  -0.297
  431   2HD   LYS  64           HD1      LYS  64 -16.494   0.363   0.363
  432   1HE   LYS  64           HE2      LYS  64 -15.632  -2.521  -2.521
  433   2HE   LYS  64           HE1      LYS  64 -16.455  -2.036  -2.036
  434   1HZ   LYS  64           HZ2      LYS  64 -18.313  -1.253  -1.253
  435   2HZ   LYS  64           HZ1      LYS  64 -17.558  -1.711  -1.711
  436   3HZ   LYS  64           HZ3      LYS  64 -17.996  -2.891  -2.891
  437    H    CYS  65           HN       CYS  65 -13.515   0.503   0.503
  438    HA   CYS  65           HA       CYS  65 -10.810   1.481   1.481
  439   1HB   CYS  65           HB2      CYS  65 -10.691  -0.988  -0.988
  440   2HB   CYS  65           HB1      CYS  65 -12.026  -1.241  -1.241
  441    H    HIS  66           HN       HIS  66 -10.851   2.742   2.742
  442    HA   HIS  66           HA       HIS  66 -13.095   2.353   2.353
  443   1HB   HIS  66           HB2      HIS  66 -14.049   4.582   4.582
  444   2HB   HIS  66           HB1      HIS  66 -14.088   3.936   3.936
  445    HD1  HIS  66           HD1      HIS  66 -11.342   4.719   4.719
  446    HD2  HIS  66           HD2      HIS  66 -13.420   7.200   7.200
  447    HE1  HIS  66           HE1      HIS  66 -10.295   7.035   7.035
  448    HE2  HIS  66           HE2      HIS  66 -11.648   8.512   8.512
  449    H    SER  67           HN       SER  67 -12.549   4.025   4.025
  450    HA   SER  67           HA       SER  67 -10.274   5.471   5.471
  451   1HB   SER  67           HB2      SER  67 -10.085   2.644   2.644
  452   2HB   SER  67           HB1      SER  67  -9.026   4.029   4.029
  453    HG   SER  67           HG       SER  67  -9.218   3.262   3.262
  454   1HN   NH2  68           H1       NH2  68 -11.803   5.830   5.830
  455   2HN   NH2  68           H2       NH2  68 -10.223   5.903   5.903

  Start of MODEL   24
    1   1H    VAL   1           HT2      VAL   1   5.713  12.300  12.300
    2   2H    VAL   1           HT1      VAL   1   6.995  11.520  11.520
    3   3H    VAL   1           HT3      VAL   1   7.248  12.248  12.248
    4    HA   VAL   1           HA       VAL   1   5.759  10.721  10.721
    5    HB   VAL   1           HB       VAL   1   7.091   8.580   8.580
    6   1HG1  VAL   1          HG11      VAL   1   8.720  11.194  11.194
    7   2HG1  VAL   1          HG13      VAL   1   9.249   9.550   9.550
    8   3HG1  VAL   1          HG12      VAL   1   7.832  10.314  10.314
    9   1HG2  VAL   1          HG23      VAL   1   8.513  10.165  10.165
   10   2HG2  VAL   1          HG22      VAL   1   7.509   8.685   8.685
   11   3HG2  VAL   1          HG21      VAL   1   9.063   8.609   8.609
   12    H    ARG   2           HN       ARG   2   4.716   8.518   8.518
   13    HA   ARG   2           HA       ARG   2   3.619   7.983   7.983
   14   1HB   ARG   2           HB2      ARG   2   2.635   6.689   6.689
   15   2HB   ARG   2           HB1      ARG   2   1.947   6.536   6.536
   16   1HG   ARG   2           HG2      ARG   2   0.407   7.860   7.860
   17   2HG   ARG   2           HG1      ARG   2   1.468   9.162   9.162
   18   1HD   ARG   2           HD2      ARG   2   2.113   9.842   9.842
   19   2HD   ARG   2           HD1      ARG   2   1.970   8.167   8.167
   20    HE   ARG   2           HE       ARG   2  -0.246   8.530   8.530
   21   1HH1  ARG   2          HH11      ARG   2   0.766  11.207  11.207
   22   2HH1  ARG   2          HH12      ARG   2  -0.717  12.075  12.075
   23   1HH2  ARG   2          HH21      ARG   2  -2.206   9.683   9.683
   24   2HH2  ARG   2          HH22      ARG   2  -2.415  11.222  11.222
   25    H    ASP   3           HN       ASP   3   3.502   5.447   5.447
   26    HA   ASP   3           HA       ASP   3   5.150   3.962   3.962
   27   1HB   ASP   3           HB2      ASP   3   4.975   3.378   3.378
   28   2HB   ASP   3           HB1      ASP   3   5.703   2.314   2.314
   29    H    GLY   4           HN       GLY   4   3.544   2.093   2.093
   30   1HA   GLY   4           HA2      GLY   4   1.306   2.039   2.039
   31   2HA   GLY   4           HA1      GLY   4   0.989   2.903   2.903
   32    H    TYR   5           HN       TYR   5  -0.472   0.721   0.721
   33    HA   TYR   5           HA       TYR   5   0.557  -1.370  -1.370
   34   1HB   TYR   5           HB2      TYR   5  -2.226  -0.429  -0.429
   35   2HB   TYR   5           HB1      TYR   5  -2.067  -1.712  -1.712
   36    HD1  TYR   5           HD1      TYR   5  -0.601  -3.732  -3.732
   37    HD2  TYR   5           HD2      TYR   5  -2.088  -1.003  -1.003
   38    HE1  TYR   5           HE1      TYR   5  -0.436  -5.493  -5.493
   39    HE2  TYR   5           HE2      TYR   5  -1.916  -2.776  -2.776
   40    HH   TYR   5           HH       TYR   5  -1.696  -6.067  -6.067
   41    H    ILE   6           HN       ILE   6   0.478  -1.154  -1.154
   42    HA   ILE   6           HA       ILE   6  -0.284   1.530   1.530
   43    HB   ILE   6           HB       ILE   6   2.001   0.873   0.873
   44   1HG1  ILE   6          HG12      ILE   6   0.242   1.209   1.209
   45   2HG1  ILE   6          HG11      ILE   6   0.617   2.513   2.513
   46   1HG2  ILE   6          HG21      ILE   6   1.679  -1.557  -1.557
   47   2HG2  ILE   6          HG23      ILE   6   0.687  -1.272  -1.272
   48   3HG2  ILE   6          HG22      ILE   6   2.431  -0.830  -0.830
   49   1HD1  ILE   6          HD11      ILE   6   3.120   2.093   2.093
   50   2HD1  ILE   6          HD13      ILE   6   2.607   1.021   1.021
   51   3HD1  ILE   6          HD12      ILE   6   2.158   2.766   2.766
   52    H    ALA   7           HN       ALA   7  -1.842   1.822   1.822
   53    HA   ALA   7           HA       ALA   7  -3.663  -0.357  -0.357
   54   1HB   ALA   7           HB2      ALA   7  -4.685   1.667   1.667
   55   2HB   ALA   7           HB1      ALA   7  -4.106   2.711   2.711
   56   3HB   ALA   7           HB3      ALA   7  -5.358   1.449   1.449
   57    H    GLN   8           HN       GLN   8  -4.926   1.278   1.278
   58    HA   GLN   8           HA       GLN   8  -2.812   1.347   1.347
   59   1HB   GLN   8           HB2      GLN   8  -5.894   1.248   1.248
   60   2HB   GLN   8           HB1      GLN   8  -4.804   1.504   1.504
   61   1HG   GLN   8           HG2      GLN   8  -3.988  -0.753  -0.753
   62   2HG   GLN   8           HG1      GLN   8  -4.550  -1.024  -1.024
   63   1HE2  GLN   8          HE22      GLN   8  -7.647  -2.332  -2.332
   64   2HE2  GLN   8          HE21      GLN   8  -6.417  -2.199  -2.199
   65    HA   PRO   9           HA       PRO   9  -2.434   4.756   4.756
   66   1HB   PRO   9           HB2      PRO   9  -1.579   6.716   6.716
   67   2HB   PRO   9           HB1      PRO   9  -0.750   5.146   5.146
   68   1HG   PRO   9           HG1      PRO   9  -2.878   5.775   5.775
   69   2HG   PRO   9           HG2      PRO   9  -1.237   5.045   5.045
   70   1HD   PRO   9           HD1      PRO   9  -3.470   3.457   3.457
   71   2HD   PRO   9           HD2      PRO   9  -1.920   2.975   2.975
   72    H    GLU  10           HN       GLU  10  -5.320   4.818   4.818
   73    HA   GLU  10           HA       GLU  10  -5.910   7.657   7.657
   74   1HB   GLU  10           HB2      GLU  10  -7.742   5.695   5.695
   75   2HB   GLU  10           HB1      GLU  10  -8.028   7.437   7.437
   76   1HG   GLU  10           HG2      GLU  10  -6.092   8.055   8.055
   77   2HG   GLU  10           HG1      GLU  10  -5.835   6.316   6.316
   78    H    ASN  11           HN       ASN  11  -7.759   4.454   4.454
   79    HA   ASN  11           HA       ASN  11  -6.707   3.961   3.961
   80   1HB   ASN  11           HB2      ASN  11  -8.288   5.754   5.754
   81   2HB   ASN  11           HB1      ASN  11  -9.650   4.962   4.962
   82   1HD2  ASN  11          HD22      ASN  11  -9.848   3.817   3.817
   83   2HD2  ASN  11          HD21      ASN  11 -10.223   5.243   5.243
   84    H    CYS  12           HN       CYS  12  -7.472   1.792   1.792
   85    HA   CYS  12           HA       CYS  12  -9.308   0.239   0.239
   86   1HB   CYS  12           HB2      CYS  12  -7.128   0.438   0.438
   87   2HB   CYS  12           HB1      CYS  12  -8.114  -1.046  -1.046
   88    H    VAL  13           HN       VAL  13  -7.224  -1.919  -1.919
   89    HA   VAL  13           HA       VAL  13  -5.150  -1.431  -1.431
   90    HB   VAL  13           HB       VAL  13  -5.014  -4.000  -4.000
   91   1HG1  VAL  13          HG11      VAL  13  -7.109  -2.304  -2.304
   92   2HG1  VAL  13          HG13      VAL  13  -6.462  -3.903  -3.903
   93   3HG1  VAL  13          HG12      VAL  13  -5.362  -2.502  -2.502
   94   1HG2  VAL  13          HG22      VAL  13  -6.820  -4.559  -4.559
   95   2HG2  VAL  13          HG21      VAL  13  -7.119  -5.249  -5.249
   96   3HG2  VAL  13          HG23      VAL  13  -8.046  -3.792  -3.792
   97    H    TYR  14           HN       TYR  14  -3.267  -2.735  -2.735
   98    HA   TYR  14           HA       TYR  14  -3.618  -3.121  -3.121
   99   1HB   TYR  14           HB2      TYR  14  -1.331  -2.257  -2.257
  100   2HB   TYR  14           HB1      TYR  14  -0.888  -3.836  -3.836
  101    HD1  TYR  14           HD2      TYR  14  -2.348  -3.882  -3.882
  102    HD2  TYR  14           HD1      TYR  14  -0.046  -0.802  -0.802
  103    HE1  TYR  14           HE2      TYR  14  -1.936  -2.820  -2.820
  104    HE2  TYR  14           HE1      TYR  14   0.368   0.254   0.254
  105    HH   TYR  14           HH       TYR  14  -0.276   0.323   0.323
  106    H    HIS  15           HN       HIS  15  -1.594  -5.456  -5.456
  107    HA   HIS  15           HA       HIS  15  -2.665  -7.181  -7.181
  108   1HB   HIS  15           HB2      HIS  15  -2.910  -7.958  -7.958
  109   2HB   HIS  15           HB1      HIS  15  -2.982  -9.100  -9.100
  110    HD1  HIS  15           HD1      HIS  15  -5.129  -6.540  -6.540
  111    HD2  HIS  15           HD2      HIS  15  -5.227  -8.859  -8.859
  112    HE1  HIS  15           HE1      HIS  15  -7.492  -6.415  -6.415
  113    HE2  HIS  15           HE2      HIS  15  -7.493  -7.795  -7.795
  114    H    CYS  16           HN       CYS  16  -0.931  -9.334  -9.334
  115    HA   CYS  16           HA       CYS  16   1.501  -8.144  -8.144
  116   1HB   CYS  16           HB2      CYS  16   1.239  -7.480  -7.480
  117   2HB   CYS  16           HB1      CYS  16   1.008  -9.201  -9.201
  118    H    PHE  17           HN       PHE  17   2.967 -10.314 -10.314
  119    HA   PHE  17           HA       PHE  17   1.183 -12.601 -12.601
  120   1HB   PHE  17           HB2      PHE  17   3.693 -11.805 -11.805
  121   2HB   PHE  17           HB1      PHE  17   2.863 -13.403 -13.403
  122    HD1  PHE  17           HD2      PHE  17   0.322 -13.403 -13.403
  123    HD2  PHE  17           HD1      PHE  17   2.815  -9.955  -9.955
  124    HE1  PHE  17           HE2      PHE  17  -1.340 -12.502 -12.502
  125    HE2  PHE  17           HE1      PHE  17   1.129  -9.053  -9.053
  126    HZ   PHE  17           HZ       PHE  17  -0.941 -10.329 -10.329
  127    HA   PRO  18           HA       PRO  18   3.768 -13.142 -13.142
  128   1HB   PRO  18           HB2      PRO  18   3.185 -16.099 -16.099
  129   2HB   PRO  18           HB1      PRO  18   3.286 -15.359 -15.359
  130   1HG   PRO  18           HG1      PRO  18   0.854 -15.714 -15.714
  131   2HG   PRO  18           HG2      PRO  18   1.209 -14.149 -14.149
  132   1HD   PRO  18           HD1      PRO  18   1.150 -14.723 -14.723
  133   2HD   PRO  18           HD2      PRO  18   0.756 -13.196 -13.196
  134    H    GLY  19           HN       GLY  19   5.938 -12.749 -12.749
  135   1HA   GLY  19           HA2      GLY  19   8.059 -14.094 -14.094
  136   2HA   GLY  19           HA1      GLY  19   7.351 -14.093 -14.093
  137    H    SER  20           HN       SER  20   5.850 -11.761 -11.761
  138    HA   SER  20           HA       SER  20   5.727  -9.642  -9.642
  139   1HB   SER  20           HB2      SER  20   8.586  -9.278  -9.278
  140   2HB   SER  20           HB1      SER  20   7.231  -8.091  -8.091
  141    HG   SER  20           HG       SER  20   7.519 -10.544 -10.544
  142    H    SER  21           HN       SER  21   7.130 -11.382 -11.382
  143    HA   SER  21           HA       SER  21   9.066 -10.314 -10.314
  144   1HB   SER  21           HB2      SER  21   6.815 -11.522 -11.522
  145   2HB   SER  21           HB1      SER  21   8.536 -12.018 -12.018
  146    HG   SER  21           HG       SER  21   7.134 -13.494 -13.494
  147    H    GLY  22           HN       GLY  22   5.608  -9.622  -9.622
  148   1HA   GLY  22           HA2      GLY  22   6.419  -7.846  -7.846
  149   2HA   GLY  22           HA1      GLY  22   4.752  -8.305  -8.305
  150    H    CYS  23           HN       CYS  23   5.553  -7.605  -7.605
  151    HA   CYS  23           HA       CYS  23   4.476  -4.953  -4.953
  152   1HB   CYS  23           HB2      CYS  23   3.519  -6.498  -6.498
  153   2HB   CYS  23           HB1      CYS  23   5.044  -6.307  -6.307
  154    H    ASP  24           HN       ASP  24   7.681  -6.337  -6.337
  155    HA   ASP  24           HA       ASP  24   8.807  -4.101  -4.101
  156   1HB   ASP  24           HB2      ASP  24   9.981  -6.321  -6.321
  157   2HB   ASP  24           HB1      ASP  24  10.183  -5.936  -5.936
  158    H    THR  25           HN       THR  25   8.253  -4.869  -4.869
  159    HA   THR  25           HA       THR  25   9.143  -2.516  -2.516
  160    HB   THR  25           HB       THR  25   6.621  -3.409  -3.409
  161    HG1  THR  25           HG1      THR  25   6.858  -5.331  -5.331
  162   1HG2  THR  25          HG23      THR  25   9.609  -3.598  -3.598
  163   2HG2  THR  25          HG22      THR  25   8.198  -3.832  -3.832
  164   3HG2  THR  25          HG21      THR  25   8.488  -2.226  -2.226
  165    H    LEU  26           HN       LEU  26   5.819  -3.351  -3.351
  166    HA   LEU  26           HA       LEU  26   4.669  -0.954  -0.954
  167   1HB   LEU  26           HB2      LEU  26   3.840  -2.767  -2.767
  168   2HB   LEU  26           HB1      LEU  26   2.836  -1.474  -1.474
  169    HG   LEU  26           HG       LEU  26   3.814  -3.967  -3.967
  170   1HD1  LEU  26          HD13      LEU  26   1.112  -3.338  -3.338
  171   2HD1  LEU  26          HD12      LEU  26   1.407  -4.717  -4.717
  172   3HD1  LEU  26          HD11      LEU  26   2.272  -4.632  -4.632
  173   1HD2  LEU  26          HD23      LEU  26   3.382  -2.039  -2.039
  174   2HD2  LEU  26          HD22      LEU  26   2.147  -3.326  -3.326
  175   3HD2  LEU  26          HD21      LEU  26   1.742  -1.829  -1.829
  176    H    CYS  27           HN       CYS  27   6.057  -1.954  -1.954
  177    HA   CYS  27           HA       CYS  27   5.404   0.369   0.369
  178   1HB   CYS  27           HB2      CYS  27   6.303  -1.873  -1.873
  179   2HB   CYS  27           HB1      CYS  27   7.945  -1.313  -1.313
  180    H    LYS  28           HN       LYS  28   8.332  -0.440  -0.440
  181    HA   LYS  28           HA       LYS  28   9.647   1.970   1.970
  182   1HB   LYS  28           HB2      LYS  28  10.068  -0.135  -0.135
  183   2HB   LYS  28           HB1      LYS  28  10.959   1.426   1.426
  184   1HG   LYS  28           HG2      LYS  28  11.933   1.132   1.132
  185   2HG   LYS  28           HG1      LYS  28  11.026  -0.401  -0.401
  186   1HD   LYS  28           HD2      LYS  28  12.265  -1.535  -1.535
  187   2HD   LYS  28           HD1      LYS  28  12.970  -0.002  -0.002
  188   1HE   LYS  28           HE2      LYS  28  14.312   0.294   0.294
  189   2HE   LYS  28           HE1      LYS  28  13.565  -1.174  -1.174
  190   1HZ   LYS  28           HZ1      LYS  28  15.133  -1.159  -1.159
  191   2HZ   LYS  28           HZ3      LYS  28  15.736  -1.573  -1.573
  192   3HZ   LYS  28           HZ2      LYS  28  14.509  -2.508  -2.508
  193    H    GLU  29           HN       GLU  29   7.555   1.056   1.056
  194    HA   GLU  29           HA       GLU  29   8.070   3.571   3.571
  195   1HB   GLU  29           HB2      GLU  29   6.465   3.013   3.013
  196   2HB   GLU  29           HB1      GLU  29   7.511   1.600   1.600
  197   1HG   GLU  29           HG2      GLU  29   5.586   0.770   0.770
  198   2HG   GLU  29           HG1      GLU  29   4.552   2.042   2.042
  199    H    LYS  30           HN       LYS  30   5.718   2.597   2.597
  200    HA   LYS  30           HA       LYS  30   4.238   5.081   5.081
  201   1HB   LYS  30           HB2      LYS  30   4.022   3.051   3.051
  202   2HB   LYS  30           HB1      LYS  30   2.978   4.498   4.498
  203   1HG   LYS  30           HG2      LYS  30   3.082   1.983   1.983
  204   2HG   LYS  30           HG1      LYS  30   1.757   2.530   2.530
  205   1HD   LYS  30           HD2      LYS  30   1.398   4.514   4.514
  206   2HD   LYS  30           HD1      LYS  30   2.723   3.903   3.903
  207   1HE   LYS  30           HE2      LYS  30   1.449   1.735   1.735
  208   2HE   LYS  30           HE1      LYS  30   0.075   2.433   2.433
  209   1HZ   LYS  30           HZ2      LYS  30   1.193   3.517   3.517
  210   2HZ   LYS  30           HZ1      LYS  30  -0.242   2.638   2.638
  211   3HZ   LYS  30           HZ3      LYS  30  -0.105   4.169   4.169
  212    H    GLY  31           HN       GLY  31   7.077   3.997   3.997
  213   1HA   GLY  31           HA2      GLY  31   8.619   5.577   5.577
  214   2HA   GLY  31           HA1      GLY  31   7.335   6.777   6.777
  215    H    GLY  32           HN       GLY  32   7.418   3.377   3.377
  216   1HA   GLY  32           HA2      GLY  32   8.093   4.300   4.300
  217   2HA   GLY  32           HA1      GLY  32   7.397   2.707   2.707
  218    H    THR  33           HN       THR  33   9.840   2.953   2.953
  219    HA   THR  33           HA       THR  33  11.999   3.052   3.052
  220    HB   THR  33           HB       THR  33  12.112   2.471   2.471
  221    HG1  THR  33           HG1      THR  33  11.123   4.462   4.462
  222   1HG2  THR  33          HG22      THR  33  14.229   3.401   3.401
  223   2HG2  THR  33          HG21      THR  33  14.483   3.384   3.384
  224   3HG2  THR  33          HG23      THR  33  14.234   1.844   1.844
  225    H    SER  34           HN       SER  34  10.282   0.659   0.659
  226    HA   SER  34           HA       SER  34  11.100  -1.451  -1.451
  227   1HB   SER  34           HB2      SER  34  12.050  -1.504  -1.504
  228   2HB   SER  34           HB1      SER  34  12.331  -2.762  -2.762
  229    HG   SER  34           HG       SER  34  13.295  -0.592  -0.592
  230    H    GLY  35           HN       GLY  35   9.759  -3.392  -3.392
  231   1HA   GLY  35           HA2      GLY  35   7.744  -2.640  -2.640
  232   2HA   GLY  35           HA1      GLY  35   7.266  -2.512  -2.512
  233    H    HIS  36           HN       HIS  36   6.055  -4.701  -4.701
  234    HA   HIS  36           HA       HIS  36   7.309  -6.908  -6.908
  235   1HB   HIS  36           HB2      HIS  36   7.547  -8.269  -8.269
  236   2HB   HIS  36           HB1      HIS  36   8.758  -6.964  -6.964
  237    HD1  HIS  36           HD1      HIS  36   7.958  -4.728  -4.728
  238    HD2  HIS  36           HD2      HIS  36   6.151  -8.401  -8.401
  239    HE1  HIS  36           HE1      HIS  36   6.976  -4.526  -4.526
  240    HE2  HIS  36           HE2      HIS  36   5.918  -6.770  -6.770
  241    H    CYS  37           HN       CYS  37   5.548  -8.761  -8.761
  242    HA   CYS  37           HA       CYS  37   3.056  -7.522  -7.522
  243   1HB   CYS  37           HB2      CYS  37   3.518 -10.306 -10.306
  244   2HB   CYS  37           HB1      CYS  37   1.993  -9.725  -9.725
  245    H    GLY  38           HN       GLY  38   0.953  -8.027  -8.027
  246   1HA   GLY  38           HA2      GLY  38   1.359  -8.177  -8.177
  247   2HA   GLY  38           HA1      GLY  38   1.099  -6.449  -6.449
  248    H    PHE  39           HN       PHE  39  -1.144  -7.619  -7.619
  249    HA   PHE  39           HA       PHE  39  -2.999  -7.908  -7.908
  250   1HB   PHE  39           HB2      PHE  39  -2.380 -10.285 -10.285
  251   2HB   PHE  39           HB1      PHE  39  -2.951  -9.724  -9.724
  252    HD1  PHE  39           HD2      PHE  39  -5.482  -8.730  -8.730
  253    HD2  PHE  39           HD1      PHE  39  -3.838 -11.478 -11.478
  254    HE1  PHE  39           HE2      PHE  39  -7.750  -9.541  -9.541
  255    HE2  PHE  39           HE1      PHE  39  -6.112 -12.270 -12.270
  256    HZ   PHE  39           HZ       PHE  39  -8.077 -11.307 -11.307
  257    H    LYS  40           HN       LYS  40  -4.792  -6.580  -6.580
  258    HA   LYS  40           HA       LYS  40  -4.357  -5.225  -5.225
  259   1HB   LYS  40           HB2      LYS  40  -3.781  -3.750  -3.750
  260   2HB   LYS  40           HB1      LYS  40  -5.461  -3.933  -3.933
  261   1HG   LYS  40           HG2      LYS  40  -4.694  -2.783  -2.783
  262   2HG   LYS  40           HG1      LYS  40  -4.808  -1.803  -1.803
  263   1HD   LYS  40           HD2      LYS  40  -7.205  -2.543  -2.543
  264   2HD   LYS  40           HD1      LYS  40  -7.151  -3.285  -3.285
  265   1HE   LYS  40           HE2      LYS  40  -6.596  -0.299  -0.299
  266   2HE   LYS  40           HE1      LYS  40  -8.161  -0.971  -0.971
  267   1HZ   LYS  40           HZ2      LYS  40  -5.546  -1.126  -1.126
  268   2HZ   LYS  40           HZ1      LYS  40  -6.823  -0.057  -0.057
  269   3HZ   LYS  40           HZ3      LYS  40  -7.038  -1.726  -1.726
  270    H    VAL  41           HN       VAL  41  -5.880  -6.323  -6.323
  271    HA   VAL  41           HA       VAL  41  -8.041  -7.578  -7.578
  272    HB   VAL  41           HB       VAL  41  -7.901  -7.156  -7.156
  273   1HG1  VAL  41          HG13      VAL  41  -8.864  -9.466  -9.466
  274   2HG1  VAL  41          HG12      VAL  41  -8.944  -9.434  -9.434
  275   3HG1  VAL  41          HG11      VAL  41  -9.923  -8.268  -8.268
  276   1HG2  VAL  41          HG22      VAL  41  -6.185  -9.102  -9.102
  277   2HG2  VAL  41          HG21      VAL  41  -5.590  -7.812  -7.812
  278   3HG2  VAL  41          HG23      VAL  41  -6.462  -9.236  -9.236
  279    H    GLY  42           HN       GLY  42 -10.012  -6.724  -6.724
  280   1HA   GLY  42           HA2      GLY  42 -11.770  -5.237  -5.237
  281   2HA   GLY  42           HA1      GLY  42 -10.471  -3.974  -3.974
  282    H    HIS  43           HN       HIS  43  -9.157  -5.082  -5.082
  283    HA   HIS  43           HA       HIS  43 -11.248  -4.863  -4.863
  284   1HB   HIS  43           HB2      HIS  43  -8.333  -3.920  -3.920
  285   2HB   HIS  43           HB1      HIS  43  -9.282  -4.156  -4.156
  286    HD1  HIS  43           HD1      HIS  43  -9.286  -1.744  -1.744
  287    HD2  HIS  43           HD2      HIS  43 -10.808  -2.248  -2.248
  288    HE1  HIS  43           HE1      HIS  43 -10.270   0.483   0.483
  289    HE2  HIS  43           HE2      HIS  43 -11.143   0.144   0.144
  290    H    GLY  44           HN       GLY  44  -7.784  -6.210  -6.210
  291   1HA   GLY  44           HA2      GLY  44  -8.389  -8.757  -8.757
  292   2HA   GLY  44           HA1      GLY  44  -8.339  -7.893  -7.893
  293    H    LEU  45           HN       LEU  45  -6.514  -9.331  -9.331
  294    HA   LEU  45           HA       LEU  45  -3.984  -9.061  -9.061
  295   1HB   LEU  45           HB2      LEU  45  -4.574 -11.014 -11.014
  296   2HB   LEU  45           HB1      LEU  45  -5.111  -9.967  -9.967
  297    HG   LEU  45           HG       LEU  45  -2.760  -9.324  -9.324
  298   1HD1  LEU  45          HD13      LEU  45  -1.971 -11.401 -11.401
  299   2HD1  LEU  45          HD12      LEU  45  -0.861 -10.626 -10.626
  300   3HD1  LEU  45          HD11      LEU  45  -1.669  -9.624  -9.624
  301   1HD2  LEU  45          HD23      LEU  45  -3.349 -12.350 -12.350
  302   2HD2  LEU  45          HD22      LEU  45  -3.820 -11.177 -11.177
  303   3HD2  LEU  45          HD21      LEU  45  -2.084 -11.555 -11.555
  304    H    ALA  46           HN       ALA  46  -2.271  -7.469  -7.469
  305    HA   ALA  46           HA       ALA  46  -3.229  -5.311  -5.311
  306   1HB   ALA  46           HB2      ALA  46  -3.916  -4.764  -4.764
  307   2HB   ALA  46           HB1      ALA  46  -2.181  -4.925  -4.925
  308   3HB   ALA  46           HB3      ALA  46  -2.707  -3.616  -3.616
  309    H    CYS  47           HN       CYS  47  -0.851  -3.623  -3.623
  310    HA   CYS  47           HA       CYS  47   1.214  -5.663  -5.663
  311   1HB   CYS  47           HB2      CYS  47   1.075  -5.197  -5.197
  312   2HB   CYS  47           HB1      CYS  47   1.249  -3.457  -3.457
  313    H    TRP  48           HN       TRP  48   3.314  -4.264  -4.264
  314    HA   TRP  48           HA       TRP  48   2.293  -2.086  -2.086
  315   1HB   TRP  48           HB2      TRP  48   2.708  -4.116  -4.116
  316   2HB   TRP  48           HB1      TRP  48   4.323  -4.314  -4.314
  317    HD1  TRP  48           HD1      TRP  48   6.268  -2.643  -2.643
  318    HE1  TRP  48           HE1      TRP  48   6.525  -0.996  -0.996
  319    HE3  TRP  48           HE3      TRP  48   1.436  -2.674  -2.674
  320    HZ2  TRP  48           HZ2      TRP  48   4.834   0.066   0.066
  321    HZ3  TRP  48           HZ3      TRP  48   0.801  -1.361  -1.361
  322    HH2  TRP  48           HH2      TRP  48   2.486  -0.020  -0.020
  323    H    CYS  49           HN       CYS  49   3.835  -0.274  -0.274
  324    HA   CYS  49           HA       CYS  49   6.260  -0.635  -0.635
  325   1HB   CYS  49           HB2      CYS  49   4.033   1.363   1.363
  326   2HB   CYS  49           HB1      CYS  49   5.742   1.816   1.816
  327    H    ASN  50           HN       ASN  50   7.911   0.739   0.739
  328    HA   ASN  50           HA       ASN  50   7.242   2.224   2.224
  329   1HB   ASN  50           HB2      ASN  50   9.414   0.265   0.265
  330   2HB   ASN  50           HB1      ASN  50  10.084   1.841   1.841
  331   1HD2  ASN  50          HD21      ASN  50   9.147   1.488   1.488
  332   2HD2  ASN  50          HD22      ASN  50   9.998   2.385   2.385
  333    H    ALA  51           HN       ALA  51   7.598   4.287   4.287
  334    HA   ALA  51           HA       ALA  51   8.039   6.256   6.256
  335   1HB   ALA  51           HB1      ALA  51  10.417   5.817   5.817
  336   2HB   ALA  51           HB3      ALA  51  10.514   5.348   5.348
  337   3HB   ALA  51           HB2      ALA  51  10.118   7.049   7.049
  338    H    LEU  52           HN       LEU  52   6.064   6.393   6.393
  339    HA   LEU  52           HA       LEU  52   6.194   6.496   6.496
  340   1HB   LEU  52           HB2      LEU  52   4.229   5.458   5.458
  341   2HB   LEU  52           HB1      LEU  52   3.482   6.870   6.870
  342    HG   LEU  52           HG       LEU  52   3.060   5.894   5.894
  343   1HD1  LEU  52          HD11      LEU  52   5.564   4.129   4.129
  344   2HD1  LEU  52          HD13      LEU  52   4.329   4.147   4.147
  345   3HD1  LEU  52          HD12      LEU  52   5.304   5.609   5.609
  346   1HD2  LEU  52          HD21      LEU  52   2.097   4.421   4.421
  347   2HD2  LEU  52          HD23      LEU  52   2.513   3.479   3.479
  348   3HD2  LEU  52          HD22      LEU  52   3.567   3.388   3.388
  349    HA   PRO  53           HA       PRO  53   5.970  10.802  10.802
  350   1HB   PRO  53           HB2      PRO  53   5.965  12.129  12.129
  351   2HB   PRO  53           HB1      PRO  53   7.453  11.407  11.407
  352   1HG   PRO  53           HG1      PRO  53   5.669  10.238  10.238
  353   2HG   PRO  53           HG2      PRO  53   7.473  10.254  10.254
  354   1HD   PRO  53           HD1      PRO  53   5.745   8.108   8.108
  355   2HD   PRO  53           HD2      PRO  53   7.411   8.308   8.308
  356    H    ASP  54           HN       ASP  54   4.418  12.715  12.715
  357    HA   ASP  54           HA       ASP  54   1.890  11.499  11.499
  358   1HB   ASP  54           HB2      ASP  54   2.764  14.432  14.432
  359   2HB   ASP  54           HB1      ASP  54   1.238  13.789  13.789
  360    H    ASN  55           HN       ASN  55   3.053  11.875  11.875
  361    HA   ASN  55           HA       ASN  55   0.685  13.214  13.214
  362   1HB   ASN  55           HB2      ASN  55   1.810  13.150  13.150
  363   2HB   ASN  55           HB1      ASN  55   2.823  14.011  14.011
  364   1HD2  ASN  55          HD21      ASN  55   4.184  10.572  10.572
  365   2HD2  ASN  55          HD22      ASN  55   2.512  11.031  11.031
  366    H    VAL  56           HN       VAL  56   1.496  10.257  10.257
  367    HA   VAL  56           HA       VAL  56   0.322   8.765   8.765
  368    HB   VAL  56           HB       VAL  56   1.856   7.549   7.549
  369   1HG1  VAL  56          HG12      VAL  56   1.288   6.688   6.688
  370   2HG1  VAL  56          HG11      VAL  56   2.241   5.743   5.743
  371   3HG1  VAL  56          HG13      VAL  56   0.485   6.021   6.021
  372   1HG2  VAL  56          HG23      VAL  56   3.083   8.701   8.701
  373   2HG2  VAL  56          HG22      VAL  56   3.424   9.238   9.238
  374   3HG2  VAL  56          HG21      VAL  56   3.921   7.608   7.608
  375    H    GLY  57           HN       GLY  57  -1.741   7.713   7.713
  376   1HA   GLY  57           HA2      GLY  57  -2.676   8.281   8.281
  377   2HA   GLY  57           HA1      GLY  57  -3.667   7.948   7.948
  378    H    ILE  58           HN       ILE  58  -3.755   6.458   6.458
  379    HA   ILE  58           HA       ILE  58  -2.681   3.859   3.859
  380    HB   ILE  58           HB       ILE  58  -1.908   3.416   3.416
  381   1HG1  ILE  58          HG12      ILE  58  -2.167   6.473   6.473
  382   2HG1  ILE  58          HG11      ILE  58  -3.206   5.239   5.239
  383   1HG2  ILE  58          HG22      ILE  58  -0.459   4.157   4.157
  384   2HG2  ILE  58          HG21      ILE  58  -0.463   5.818   5.818
  385   3HG2  ILE  58          HG23      ILE  58   0.230   4.432   4.432
  386   1HD1  ILE  58          HD12      ILE  58  -1.101   4.167   4.167
  387   2HD1  ILE  58          HD11      ILE  58  -0.154   5.555   5.555
  388   3HD1  ILE  58          HD13      ILE  58  -1.419   5.849   5.849
  389    H    ILE  59           HN       ILE  59  -3.686   2.930   2.930
  390    HA   ILE  59           HA       ILE  59  -6.193   2.315   2.315
  391    HB   ILE  59           HB       ILE  59  -5.622   1.689   1.689
  392   1HG1  ILE  59          HG12      ILE  59  -3.502   1.135   1.135
  393   2HG1  ILE  59          HG11      ILE  59  -4.446  -0.305  -0.305
  394   1HG2  ILE  59          HG22      ILE  59  -7.164   0.374   0.374
  395   2HG2  ILE  59          HG21      ILE  59  -6.796  -0.496  -0.496
  396   3HG2  ILE  59          HG23      ILE  59  -7.830   0.960   0.960
  397   1HD1  ILE  59          HD12      ILE  59  -5.271  -0.291  -0.291
  398   2HD1  ILE  59          HD11      ILE  59  -3.805   0.732   0.732
  399   3HD1  ILE  59          HD13      ILE  59  -3.627  -0.926  -0.926
  400    H    VAL  60           HN       VAL  60  -5.506   5.337   5.337
  401    HA   VAL  60           HA       VAL  60  -8.268   5.572   5.572
  402    HB   VAL  60           HB       VAL  60  -7.778   7.288   7.288
  403   1HG1  VAL  60          HG11      VAL  60  -9.931   6.368   6.368
  404   2HG1  VAL  60          HG13      VAL  60  -9.481   4.737   4.737
  405   3HG1  VAL  60          HG12      VAL  60  -9.839   6.038   6.038
  406   1HG2  VAL  60          HG23      VAL  60  -7.210   4.302   4.302
  407   2HG2  VAL  60          HG22      VAL  60  -6.035   5.665   5.665
  408   3HG2  VAL  60          HG21      VAL  60  -7.526   5.610   5.610
  409    H    GLU  61           HN       GLU  61  -8.823   7.938   7.938
  410    HA   GLU  61           HA       GLU  61  -7.219   9.817   9.817
  411   1HB   GLU  61           HB2      GLU  61  -7.042   8.083   8.083
  412   2HB   GLU  61           HB1      GLU  61  -8.782   7.763   7.763
  413   1HG   GLU  61           HG2      GLU  61  -8.471   9.067   9.067
  414   2HG   GLU  61           HG1      GLU  61  -9.257  10.150  10.150
  415    H    GLY  62           HN       GLY  62 -10.209   7.891   7.891
  416   1HA   GLY  62           HA2      GLY  62 -11.706   9.159   9.159
  417   2HA   GLY  62           HA1      GLY  62 -12.310   9.373   9.373
  418    H    GLU  63           HN       GLU  63 -13.509   7.258   7.258
  419    HA   GLU  63           HA       GLU  63 -11.936   4.906   4.906
  420   1HB   GLU  63           HB2      GLU  63 -12.926   5.271   5.271
  421   2HB   GLU  63           HB1      GLU  63 -14.553   5.083   5.083
  422   1HG   GLU  63           HG2      GLU  63 -13.862   2.962   2.962
  423   2HG   GLU  63           HG1      GLU  63 -13.881   2.733   2.733
  424    H    LYS  64           HN       LYS  64 -12.196   4.481   4.481
  425    HA   LYS  64           HA       LYS  64 -14.485   3.065   3.065
  426   1HB   LYS  64           HB2      LYS  64 -15.279   5.553   5.553
  427   2HB   LYS  64           HB1      LYS  64 -14.029   5.644   5.644
  428   1HG   LYS  64           HG2      LYS  64 -15.314   3.854   3.854
  429   2HG   LYS  64           HG1      LYS  64 -16.428   3.690   3.690
  430   1HD   LYS  64           HD2      LYS  64 -17.576   5.032   5.032
  431   2HD   LYS  64           HD1      LYS  64 -17.059   6.143   6.143
  432   1HE   LYS  64           HE2      LYS  64 -15.030   6.793   6.793
  433   2HE   LYS  64           HE1      LYS  64 -15.768   5.796   5.796
  434   1HZ   LYS  64           HZ3      LYS  64 -17.755   7.207   7.207
  435   2HZ   LYS  64           HZ2      LYS  64 -16.958   8.155   8.155
  436   3HZ   LYS  64           HZ1      LYS  64 -16.353   8.074   8.074
  437    H    CYS  65           HN       CYS  65 -13.859   2.581   2.581
  438    HA   CYS  65           HA       CYS  65 -10.962   2.480   2.480
  439   1HB   CYS  65           HB2      CYS  65 -11.493   0.224   0.224
  440   2HB   CYS  65           HB1      CYS  65 -12.988   0.182   0.182
  441    H    HIS  66           HN       HIS  66 -10.369   3.144   3.144
  442    HA   HIS  66           HA       HIS  66 -12.173   3.127   3.127
  443   1HB   HIS  66           HB2      HIS  66 -12.088   5.788   5.788
  444   2HB   HIS  66           HB1      HIS  66 -13.316   5.068   5.068
  445    HD1  HIS  66           HD1      HIS  66  -9.903   6.708   6.708
  446    HD2  HIS  66           HD2      HIS  66 -13.027   5.531   5.531
  447    HE1  HIS  66           HE1      HIS  66  -9.300   7.495   7.495
  448    HE2  HIS  66           HE2      HIS  66 -11.226   6.790   6.790
  449    H    SER  67           HN       SER  67 -10.619   3.746   3.746
  450    HA   SER  67           HA       SER  67  -8.008   4.473   4.473
  451   1HB   SER  67           HB2      SER  67  -8.673   1.707   1.707
  452   2HB   SER  67           HB1      SER  67  -7.046   2.488   2.488
  453    HG   SER  67           HG       SER  67  -7.311   0.886   0.886
  454   1HN   NH2  68           H1       NH2  68  -7.275   5.106   5.106
  455   2HN   NH2  68           H2       NH2  68  -8.519   5.289   5.289

  Start of MODEL   25
    1   1H    VAL   1           HT1      VAL   1   6.734  12.492  12.492
    2   2H    VAL   1           HT3      VAL   1   7.966  11.571  11.571
    3   3H    VAL   1           HT2      VAL   1   8.186  12.224  12.224
    4    HA   VAL   1           HA       VAL   1   6.536  10.859  10.859
    5    HB   VAL   1           HB       VAL   1   7.459   8.540   8.540
    6   1HG1  VAL   1          HG11      VAL   1   8.544  10.077  10.077
    7   2HG1  VAL   1          HG13      VAL   1   9.613  10.724  10.724
    8   3HG1  VAL   1          HG12      VAL   1   9.729   8.999   8.999
    9   1HG2  VAL   1          HG21      VAL   1   7.806   8.730   8.730
   10   2HG2  VAL   1          HG23      VAL   1   9.305   8.239   8.239
   11   3HG2  VAL   1          HG22      VAL   1   9.126   9.932   9.932
   12    H    ARG   2           HN       ARG   2   5.144   8.837   8.837
   13    HA   ARG   2           HA       ARG   2   4.015   8.694   8.694
   14   1HB   ARG   2           HB2      ARG   2   2.110   7.393   7.393
   15   2HB   ARG   2           HB1      ARG   2   2.105   9.068   9.068
   16   1HG   ARG   2           HG2      ARG   2   3.489   6.990   6.990
   17   2HG   ARG   2           HG1      ARG   2   1.723   6.846   6.846
   18   1HD   ARG   2           HD2      ARG   2   2.980   9.545   9.545
   19   2HD   ARG   2           HD1      ARG   2   2.717   8.210   8.210
   20    HE   ARG   2           HE       ARG   2   0.417   8.468   8.468
   21   1HH1  ARG   2          HH11      ARG   2   1.905  10.717  10.717
   22   2HH1  ARG   2          HH12      ARG   2   0.484  11.704  11.704
   23   1HH2  ARG   2          HH21      ARG   2  -1.444   9.749   9.749
   24   2HH2  ARG   2          HH22      ARG   2  -1.441  11.144  11.144
   25    H    ASP   3           HN       ASP   3   3.387   6.091   6.091
   26    HA   ASP   3           HA       ASP   3   5.183   4.467   4.467
   27   1HB   ASP   3           HB2      ASP   3   4.486   3.781   3.781
   28   2HB   ASP   3           HB1      ASP   3   5.634   2.950   2.950
   29    H    GLY   4           HN       GLY   4   3.541   2.636   2.636
   30   1HA   GLY   4           HA2      GLY   4   0.985   2.926   2.926
   31   2HA   GLY   4           HA1      GLY   4   1.123   3.669   3.669
   32    H    TYR   5           HN       TYR   5  -0.610   1.545   1.545
   33    HA   TYR   5           HA       TYR   5   0.837  -0.633  -0.633
   34   1HB   TYR   5           HB2      TYR   5  -2.054  -0.307  -0.307
   35   2HB   TYR   5           HB1      TYR   5  -1.665  -1.484  -1.484
   36    HD1  TYR   5           HD1      TYR   5  -0.143  -3.366  -3.366
   37    HD2  TYR   5           HD2      TYR   5  -1.286  -0.689  -0.689
   38    HE1  TYR   5           HE1      TYR   5   0.761  -4.938  -4.938
   39    HE2  TYR   5           HE2      TYR   5  -0.374  -2.264  -2.264
   40    HH   TYR   5           HH       TYR   5   1.149  -5.364  -5.364
   41    H    ILE   6           HN       ILE   6   0.806  -0.494  -0.494
   42    HA   ILE   6           HA       ILE   6  -0.227   2.090   2.090
   43    HB   ILE   6           HB       ILE   6   2.126   1.752   1.752
   44   1HG1  ILE   6          HG12      ILE   6   0.313   1.889   1.889
   45   2HG1  ILE   6          HG11      ILE   6   0.822   3.251   3.251
   46   1HG2  ILE   6          HG21      ILE   6   2.174  -0.687  -0.687
   47   2HG2  ILE   6          HG23      ILE   6   1.211  -0.593  -0.593
   48   3HG2  ILE   6          HG22      ILE   6   2.873   0.070   0.070
   49   1HD1  ILE   6          HD11      ILE   6   3.270   2.701   2.701
   50   2HD1  ILE   6          HD13      ILE   6   2.571   1.565   1.565
   51   3HD1  ILE   6          HD12      ILE   6   2.198   3.320   3.320
   52    H    ALA   7           HN       ALA   7  -1.618   2.235   2.235
   53    HA   ALA   7           HA       ALA   7  -3.302  -0.063  -0.063
   54   1HB   ALA   7           HB2      ALA   7  -3.984   2.957   2.957
   55   2HB   ALA   7           HB1      ALA   7  -5.182   1.671   1.671
   56   3HB   ALA   7           HB3      ALA   7  -4.393   1.722   1.722
   57    H    GLN   8           HN       GLN   8  -4.901   1.602   1.602
   58    HA   GLN   8           HA       GLN   8  -3.071   2.143   2.143
   59   1HB   GLN   8           HB2      GLN   8  -6.165   2.245   2.245
   60   2HB   GLN   8           HB1      GLN   8  -5.182   2.602   2.602
   61   1HG   GLN   8           HG2      GLN   8  -4.452   0.264   0.264
   62   2HG   GLN   8           HG1      GLN   8  -5.218  -0.154  -0.154
   63   1HE2  GLN   8          HE22      GLN   8  -8.015  -1.201  -1.201
   64   2HE2  GLN   8          HE21      GLN   8  -6.651  -1.688  -1.688
   65    HA   PRO   9           HA       PRO   9  -2.813   5.700   5.700
   66   1HB   PRO   9           HB2      PRO   9  -2.124   7.723   7.723
   67   2HB   PRO   9           HB1      PRO   9  -1.150   6.224   6.224
   68   1HG   PRO   9           HG1      PRO   9  -3.350   6.684   6.684
   69   2HG   PRO   9           HG2      PRO   9  -1.644   6.143   6.143
   70   1HD   PRO   9           HD1      PRO   9  -3.672   4.308   4.308
   71   2HD   PRO   9           HD2      PRO   9  -2.067   3.991   3.991
   72    H    GLU  10           HN       GLU  10  -5.665   5.366   5.366
   73    HA   GLU  10           HA       GLU  10  -6.678   8.123   8.123
   74   1HB   GLU  10           HB2      GLU  10  -8.192   5.663   5.663
   75   2HB   GLU  10           HB1      GLU  10  -8.775   7.343   7.343
   76   1HG   GLU  10           HG2      GLU  10  -8.437   7.281   7.281
   77   2HG   GLU  10           HG1      GLU  10  -6.930   8.070   8.070
   78    H    ASN  11           HN       ASN  11  -8.060   4.804   4.804
   79    HA   ASN  11           HA       ASN  11  -7.080   4.583   4.583
   80   1HB   ASN  11           HB2      ASN  11  -9.124   6.158   6.158
   81   2HB   ASN  11           HB1      ASN  11 -10.173   4.936   4.936
   82   1HD2  ASN  11          HD22      ASN  11 -10.275   4.383   4.383
   83   2HD2  ASN  11          HD21      ASN  11 -11.028   5.316   5.316
   84    H    CYS  12           HN       CYS  12  -7.354   2.236   2.236
   85    HA   CYS  12           HA       CYS  12  -9.116   0.584   0.584
   86   1HB   CYS  12           HB2      CYS  12  -6.845   1.077   1.077
   87   2HB   CYS  12           HB1      CYS  12  -7.644  -0.516  -0.516
   88    H    VAL  13           HN       VAL  13  -6.934  -1.450  -1.450
   89    HA   VAL  13           HA       VAL  13  -4.889  -1.022  -1.022
   90    HB   VAL  13           HB       VAL  13  -4.839  -3.529  -3.529
   91   1HG1  VAL  13          HG12      VAL  13  -7.242  -1.966  -1.966
   92   2HG1  VAL  13          HG11      VAL  13  -6.700  -3.572  -3.572
   93   3HG1  VAL  13          HG13      VAL  13  -5.615  -2.154  -2.154
   94   1HG2  VAL  13          HG22      VAL  13  -7.727  -3.477  -3.477
   95   2HG2  VAL  13          HG21      VAL  13  -6.300  -4.258  -4.258
   96   3HG2  VAL  13          HG23      VAL  13  -6.888  -4.872  -4.872
   97    H    TYR  14           HN       TYR  14  -3.145  -2.618  -2.618
   98    HA   TYR  14           HA       TYR  14  -3.759  -2.862  -2.862
   99   1HB   TYR  14           HB2      TYR  14  -1.188  -2.794  -2.794
  100   2HB   TYR  14           HB1      TYR  14  -1.232  -4.040  -4.040
  101    HD1  TYR  14           HD1      TYR  14  -2.433  -2.971  -2.971
  102    HD2  TYR  14           HD2      TYR  14   0.019  -0.957  -0.957
  103    HE1  TYR  14           HE1      TYR  14  -1.759  -1.336  -1.336
  104    HE2  TYR  14           HE2      TYR  14   0.715   0.662   0.662
  105    HH   TYR  14           HH       TYR  14   0.524   1.329   1.329
  106    H    HIS  15           HN       HIS  15  -3.162  -5.405  -5.405
  107    HA   HIS  15           HA       HIS  15  -4.378  -6.942  -6.942
  108   1HB   HIS  15           HB2      HIS  15  -4.711  -7.299  -7.299
  109   2HB   HIS  15           HB1      HIS  15  -5.139  -8.532  -8.532
  110    HD1  HIS  15           HD1      HIS  15  -6.138  -4.994  -4.994
  111    HD2  HIS  15           HD2      HIS  15  -7.462  -8.089  -8.089
  112    HE1  HIS  15           HE1      HIS  15  -8.402  -4.306  -4.306
  113    HE2  HIS  15           HE2      HIS  15  -9.160  -6.195  -6.195
  114    H    CYS  16           HN       CYS  16  -2.677  -7.668  -7.668
  115    HA   CYS  16           HA       CYS  16  -0.457  -8.701  -8.701
  116   1HB   CYS  16           HB2      CYS  16  -0.110  -6.800  -6.800
  117   2HB   CYS  16           HB1      CYS  16  -0.334  -8.073  -8.073
  118    H    PHE  17           HN       PHE  17   0.631 -10.356 -10.356
  119    HA   PHE  17           HA       PHE  17  -1.277 -12.500 -12.500
  120   1HB   PHE  17           HB2      PHE  17   1.607 -12.637 -12.637
  121   2HB   PHE  17           HB1      PHE  17   0.282 -13.826 -13.826
  122    HD1  PHE  17           HD2      PHE  17  -1.860 -12.844 -12.844
  123    HD2  PHE  17           HD1      PHE  17   2.067 -11.080 -11.080
  124    HE1  PHE  17           HE2      PHE  17  -2.465 -11.669 -11.669
  125    HE2  PHE  17           HE1      PHE  17   1.451  -9.920  -9.920
  126    HZ   PHE  17           HZ       PHE  17  -0.816 -10.203 -10.203
  127    HA   PRO  18           HA       PRO  18   1.770 -12.661 -12.661
  128   1HB   PRO  18           HB2      PRO  18   2.159 -15.364 -15.364
  129   2HB   PRO  18           HB1      PRO  18   0.596 -14.536 -14.536
  130   1HG   PRO  18           HG1      PRO  18   1.312 -16.147 -16.147
  131   2HG   PRO  18           HG2      PRO  18  -0.139 -16.342 -16.342
  132   1HD   PRO  18           HD1      PRO  18  -0.210 -14.818 -14.818
  133   2HD   PRO  18           HD2      PRO  18  -1.132 -14.306 -14.306
  134    H    GLY  19           HN       GLY  19   2.899 -11.918 -11.918
  135   1HA   GLY  19           HA2      GLY  19   5.563 -12.637 -12.637
  136   2HA   GLY  19           HA1      GLY  19   4.754 -13.479 -13.479
  137    H    SER  20           HN       SER  20   6.509 -10.688 -10.688
  138    HA   SER  20           HA       SER  20   4.550  -8.832  -8.832
  139   1HB   SER  20           HB2      SER  20   6.752  -7.363  -7.363
  140   2HB   SER  20           HB1      SER  20   5.617  -7.982  -7.982
  141    HG   SER  20           HG       SER  20   7.862  -8.431  -8.431
  142    H    SER  21           HN       SER  21   5.826 -10.998 -10.998
  143    HA   SER  21           HA       SER  21   7.960 -10.327 -10.327
  144   1HB   SER  21           HB2      SER  21   5.557 -11.553 -11.553
  145   2HB   SER  21           HB1      SER  21   7.310 -11.952 -11.952
  146    HG   SER  21           HG       SER  21   6.364 -13.471 -13.471
  147    H    GLY  22           HN       GLY  22   4.708  -9.172  -9.172
  148   1HA   GLY  22           HA2      GLY  22   5.980  -7.674  -7.674
  149   2HA   GLY  22           HA1      GLY  22   4.224  -7.851  -7.851
  150    H    CYS  23           HN       CYS  23   4.880  -7.212  -7.212
  151    HA   CYS  23           HA       CYS  23   4.223  -4.451  -4.451
  152   1HB   CYS  23           HB2      CYS  23   3.157  -6.283  -6.283
  153   2HB   CYS  23           HB1      CYS  23   4.174  -5.272  -5.272
  154    H    ASP  24           HN       ASP  24   6.940  -6.299  -6.299
  155    HA   ASP  24           HA       ASP  24   8.402  -4.435  -4.435
  156   1HB   ASP  24           HB2      ASP  24   8.986  -6.898  -6.898
  157   2HB   ASP  24           HB1      ASP  24   9.468  -6.412  -6.412
  158    H    THR  25           HN       THR  25   8.180  -4.977  -4.977
  159    HA   THR  25           HA       THR  25   9.647  -2.752  -2.752
  160    HB   THR  25           HB       THR  25   7.831  -3.192  -3.192
  161    HG1  THR  25           HG1      THR  25   6.864  -4.970  -4.970
  162   1HG2  THR  25          HG23      THR  25  10.443  -4.697  -4.697
  163   2HG2  THR  25          HG22      THR  25   9.718  -4.609  -4.609
  164   3HG2  THR  25          HG21      THR  25  10.338  -3.115  -3.115
  165    H    LEU  26           HN       LEU  26   6.064  -3.107  -3.107
  166    HA   LEU  26           HA       LEU  26   5.467  -0.544  -0.544
  167   1HB   LEU  26           HB2      LEU  26   3.999  -2.231  -2.231
  168   2HB   LEU  26           HB1      LEU  26   3.341  -0.741  -0.741
  169    HG   LEU  26           HG       LEU  26   4.076  -3.284  -3.284
  170   1HD1  LEU  26          HD12      LEU  26   1.348  -2.184  -2.184
  171   2HD1  LEU  26          HD11      LEU  26   1.579  -3.524  -3.524
  172   3HD1  LEU  26          HD13      LEU  26   2.136  -3.715  -3.715
  173   1HD2  LEU  26          HD21      LEU  26   2.746  -0.642  -0.642
  174   2HD2  LEU  26          HD23      LEU  26   4.323  -1.308  -1.308
  175   3HD2  LEU  26          HD22      LEU  26   2.794  -2.153  -2.153
  176    H    CYS  27           HN       CYS  27   6.223  -1.713  -1.713
  177    HA   CYS  27           HA       CYS  27   5.830   0.699   0.699
  178   1HB   CYS  27           HB2      CYS  27   6.274  -1.604  -1.604
  179   2HB   CYS  27           HB1      CYS  27   8.009  -1.374  -1.374
  180    H    LYS  28           HN       LYS  28   8.759  -0.554  -0.554
  181    HA   LYS  28           HA       LYS  28  10.429   1.546   1.546
  182   1HB   LYS  28           HB2      LYS  28  10.516  -0.389  -0.389
  183   2HB   LYS  28           HB1      LYS  28  11.794   0.855   0.855
  184   1HG   LYS  28           HG2      LYS  28  12.417  -0.025  -0.025
  185   2HG   LYS  28           HG1      LYS  28  11.003  -1.124  -1.124
  186   1HD   LYS  28           HD2      LYS  28  11.893  -2.569  -2.569
  187   2HD   LYS  28           HD1      LYS  28  13.179  -1.387  -1.387
  188   1HE   LYS  28           HE2      LYS  28  14.096  -3.296  -3.296
  189   2HE   LYS  28           HE1      LYS  28  14.293  -1.697  -1.697
  190   1HZ   LYS  28           HZ2      LYS  28  12.295  -2.209  -2.209
  191   2HZ   LYS  28           HZ1      LYS  28  12.217  -3.747  -3.747
  192   3HZ   LYS  28           HZ3      LYS  28  13.547  -3.327  -3.327
  193    H    GLU  29           HN       GLU  29   8.494   1.117   1.117
  194    HA   GLU  29           HA       GLU  29   9.480   3.524   3.524
  195   1HB   GLU  29           HB2      GLU  29   7.771   3.331   3.331
  196   2HB   GLU  29           HB1      GLU  29   8.604   1.771   1.771
  197   1HG   GLU  29           HG2      GLU  29   6.621   1.120   1.120
  198   2HG   GLU  29           HG1      GLU  29   5.764   2.592   2.592
  199    H    LYS  30           HN       LYS  30   6.825   2.958   2.958
  200    HA   LYS  30           HA       LYS  30   5.841   5.666   5.666
  201   1HB   LYS  30           HB2      LYS  30   4.949   3.534   3.534
  202   2HB   LYS  30           HB1      LYS  30   4.185   5.142   5.142
  203   1HG   LYS  30           HG2      LYS  30   4.282   2.830   2.830
  204   2HG   LYS  30           HG1      LYS  30   2.854   3.444   3.444
  205   1HD   LYS  30           HD2      LYS  30   4.438   4.897   4.897
  206   2HD   LYS  30           HD1      LYS  30   2.837   4.108   4.108
  207   1HE   LYS  30           HE2      LYS  30   1.817   5.778   5.778
  208   2HE   LYS  30           HE1      LYS  30   3.427   6.590   6.590
  209   1HZ   LYS  30           HZ2      LYS  30   2.037   6.241   6.241
  210   2HZ   LYS  30           HZ1      LYS  30   1.929   7.624   7.624
  211   3HZ   LYS  30           HZ3      LYS  30   3.428   7.155   7.155
  212    H    GLY  31           HN       GLY  31   8.408   4.283   4.283
  213   1HA   GLY  31           HA2      GLY  31   9.957   5.620   5.620
  214   2HA   GLY  31           HA1      GLY  31   8.725   6.868   6.868
  215    H    GLY  32           HN       GLY  32   8.397   3.390   3.390
  216   1HA   GLY  32           HA2      GLY  32   9.022   4.140   4.140
  217   2HA   GLY  32           HA1      GLY  32   7.959   2.795   2.795
  218    H    THR  33           HN       THR  33  10.678   2.950   2.950
  219    HA   THR  33           HA       THR  33  12.560   1.845   1.845
  220    HB   THR  33           HB       THR  33  13.763   1.791   1.791
  221    HG1  THR  33           HG1      THR  33  12.790   3.359   3.359
  222   1HG2  THR  33          HG21      THR  33  12.957   4.390   4.390
  223   2HG2  THR  33          HG23      THR  33  14.368   4.201   4.201
  224   3HG2  THR  33          HG22      THR  33  14.322   3.298   3.298
  225    H    SER  34           HN       SER  34  11.573   0.831   0.831
  226    HA   SER  34           HA       SER  34  11.846  -1.952  -1.952
  227   1HB   SER  34           HB2      SER  34  10.984  -0.832  -0.832
  228   2HB   SER  34           HB1      SER  34  11.487  -2.525  -2.525
  229    HG   SER  34           HG       SER  34  13.171  -1.345  -1.345
  230    H    GLY  35           HN       GLY  35   9.926  -3.492  -3.492
  231   1HA   GLY  35           HA2      GLY  35   7.406  -2.330  -2.330
  232   2HA   GLY  35           HA1      GLY  35   7.874  -2.816  -2.816
  233    H    HIS  36           HN       HIS  36   5.972  -4.420  -4.420
  234    HA   HIS  36           HA       HIS  36   7.077  -6.929  -6.929
  235   1HB   HIS  36           HB2      HIS  36   5.620  -5.805  -5.805
  236   2HB   HIS  36           HB1      HIS  36   6.162  -7.497  -7.497
  237    HD1  HIS  36           HD1      HIS  36   7.193  -4.323  -4.323
  238    HD2  HIS  36           HD2      HIS  36   9.163  -7.731  -7.731
  239    HE1  HIS  36           HE1      HIS  36   9.552  -4.276  -4.276
  240    HE2  HIS  36           HE2      HIS  36  10.706  -6.347  -6.347
  241    H    CYS  37           HN       CYS  37   4.470  -7.914  -7.914
  242    HA   CYS  37           HA       CYS  37   2.463  -6.184  -6.184
  243   1HB   CYS  37           HB2      CYS  37   2.871  -9.067  -9.067
  244   2HB   CYS  37           HB1      CYS  37   1.283  -8.238  -8.238
  245    H    GLY  38           HN       GLY  38   0.409  -7.188  -7.188
  246   1HA   GLY  38           HA2      GLY  38   0.831  -9.142  -9.142
  247   2HA   GLY  38           HA1      GLY  38   1.310  -7.517  -7.517
  248    H    PHE  39           HN       PHE  39  -1.032  -8.241  -8.241
  249    HA   PHE  39           HA       PHE  39  -3.123  -6.992  -6.992
  250   1HB   PHE  39           HB2      PHE  39  -3.126  -9.623  -9.623
  251   2HB   PHE  39           HB1      PHE  39  -3.325  -9.787  -9.787
  252    HD1  PHE  39           HD2      PHE  39  -4.974  -7.490  -7.490
  253    HD2  PHE  39           HD1      PHE  39  -5.462 -10.587 -10.587
  254    HE1  PHE  39           HE2      PHE  39  -7.392  -7.529  -7.529
  255    HE2  PHE  39           HE1      PHE  39  -7.889 -10.618 -10.618
  256    HZ   PHE  39           HZ       PHE  39  -8.860  -9.115  -9.115
  257    H    LYS  40           HN       LYS  40  -4.378  -5.884  -5.884
  258    HA   LYS  40           HA       LYS  40  -4.313  -6.708  -6.708
  259   1HB   LYS  40           HB2      LYS  40  -3.475  -3.854  -3.854
  260   2HB   LYS  40           HB1      LYS  40  -4.129  -4.244  -4.244
  261   1HG   LYS  40           HG2      LYS  40  -2.188  -5.803  -5.803
  262   2HG   LYS  40           HG1      LYS  40  -1.486  -5.281  -5.281
  263   1HD   LYS  40           HD2      LYS  40  -1.475  -2.906  -2.906
  264   2HD   LYS  40           HD1      LYS  40  -2.133  -3.445  -3.445
  265   1HE   LYS  40           HE2      LYS  40  -0.087  -4.769  -4.769
  266   2HE   LYS  40           HE1      LYS  40   0.575  -4.400  -4.400
  267   1HZ   LYS  40           HZ3      LYS  40  -0.039  -2.381  -2.381
  268   2HZ   LYS  40           HZ2      LYS  40   1.497  -3.016  -3.016
  269   3HZ   LYS  40           HZ1      LYS  40   0.667  -2.099  -2.099
  270    H    VAL  41           HN       VAL  41  -6.088  -7.285  -7.285
  271    HA   VAL  41           HA       VAL  41  -7.835  -7.001  -7.001
  272    HB   VAL  41           HB       VAL  41  -8.746  -4.694  -4.694
  273   1HG1  VAL  41          HG12      VAL  41 -10.201  -5.446  -5.446
  274   2HG1  VAL  41          HG11      VAL  41 -10.206  -7.103  -7.103
  275   3HG1  VAL  41          HG13      VAL  41 -11.009  -5.756  -5.756
  276   1HG2  VAL  41          HG23      VAL  41  -8.751  -7.695  -7.695
  277   2HG2  VAL  41          HG22      VAL  41  -7.983  -6.340  -6.340
  278   3HG2  VAL  41          HG21      VAL  41  -9.765  -6.451  -6.451
  279    H    GLY  42           HN       GLY  42  -8.955  -4.139  -4.139
  280   1HA   GLY  42           HA2      GLY  42  -7.949  -2.213  -2.213
  281   2HA   GLY  42           HA1      GLY  42  -6.967  -3.401  -3.401
  282    H    HIS  43           HN       HIS  43  -8.097  -4.984  -4.984
  283    HA   HIS  43           HA       HIS  43 -10.896  -4.688  -4.688
  284   1HB   HIS  43           HB2      HIS  43  -8.786  -3.739  -3.739
  285   2HB   HIS  43           HB1      HIS  43 -10.428  -4.181  -4.181
  286    HD1  HIS  43           HD1      HIS  43  -8.721  -1.309  -1.309
  287    HD2  HIS  43           HD2      HIS  43 -12.275  -2.394  -2.394
  288    HE1  HIS  43           HE1      HIS  43  -9.953   0.819   0.819
  289    HE2  HIS  43           HE2      HIS  43 -12.115   0.126   0.126
  290    H    GLY  44           HN       GLY  44  -7.526  -5.743  -5.743
  291   1HA   GLY  44           HA2      GLY  44  -8.260  -8.410  -8.410
  292   2HA   GLY  44           HA1      GLY  44  -7.980  -7.655  -7.655
  293    H    LEU  45           HN       LEU  45  -5.773  -9.129  -9.129
  294    HA   LEU  45           HA       LEU  45  -4.178  -8.145  -8.145
  295   1HB   LEU  45           HB2      LEU  45  -4.311 -10.507 -10.507
  296   2HB   LEU  45           HB1      LEU  45  -3.181  -9.888  -9.888
  297    HG   LEU  45           HG       LEU  45  -2.596  -9.658  -9.658
  298   1HD1  LEU  45          HD13      LEU  45  -3.212 -12.029 -12.029
  299   2HD1  LEU  45          HD12      LEU  45  -2.010 -12.142 -12.142
  300   3HD1  LEU  45          HD11      LEU  45  -1.454 -11.860 -11.860
  301   1HD2  LEU  45          HD22      LEU  45  -0.748  -9.889  -9.889
  302   2HD2  LEU  45          HD21      LEU  45  -1.028  -8.425  -8.425
  303   3HD2  LEU  45          HD23      LEU  45  -0.194  -9.856  -9.856
  304    H    ALA  46           HN       ALA  46  -2.666  -6.432  -6.432
  305    HA   ALA  46           HA       ALA  46  -2.776  -4.892  -4.892
  306   1HB   ALA  46           HB3      ALA  46  -3.887  -3.847  -3.847
  307   2HB   ALA  46           HB2      ALA  46  -2.330  -3.959  -3.959
  308   3HB   ALA  46           HB1      ALA  46  -2.472  -2.887  -2.887
  309    H    CYS  47           HN       CYS  47  -0.649  -3.084  -3.084
  310    HA   CYS  47           HA       CYS  47   1.600  -4.992  -4.992
  311   1HB   CYS  47           HB2      CYS  47   1.530  -2.528  -2.528
  312   2HB   CYS  47           HB1      CYS  47   2.910  -3.657  -3.657
  313    H    TRP  48           HN       TRP  48   3.587  -3.833  -3.833
  314    HA   TRP  48           HA       TRP  48   2.648  -1.625  -1.625
  315   1HB   TRP  48           HB2      TRP  48   3.286  -3.601  -3.601
  316   2HB   TRP  48           HB1      TRP  48   4.803  -3.783  -3.783
  317    HD1  TRP  48           HD1      TRP  48   6.942  -2.487  -2.487
  318    HE1  TRP  48           HE1      TRP  48   7.307  -0.974  -0.974
  319    HE3  TRP  48           HE3      TRP  48   2.060  -1.605  -1.605
  320    HZ2  TRP  48           HZ2      TRP  48   5.682   0.672   0.672
  321    HZ3  TRP  48           HZ3      TRP  48   1.514  -0.031  -0.031
  322    HH2  TRP  48           HH2      TRP  48   3.307   1.107   1.107
  323    H    CYS  49           HN       CYS  49   4.134   0.213   0.213
  324    HA   CYS  49           HA       CYS  49   6.617  -0.107  -0.107
  325   1HB   CYS  49           HB2      CYS  49   4.570   2.117   2.117
  326   2HB   CYS  49           HB1      CYS  49   6.330   2.315   2.315
  327    H    ASN  50           HN       ASN  50   8.145   1.086   1.086
  328    HA   ASN  50           HA       ASN  50   7.117   1.828   1.828
  329   1HB   ASN  50           HB2      ASN  50   8.920  -0.075  -0.075
  330   2HB   ASN  50           HB1      ASN  50  10.079   1.292   1.292
  331   1HD2  ASN  50          HD21      ASN  50   9.419   1.800   1.800
  332   2HD2  ASN  50          HD22      ASN  50   9.520   2.745   2.745
  333    H    ALA  51           HN       ALA  51   7.500   3.641   3.641
  334    HA   ALA  51           HA       ALA  51   7.908   5.958   5.958
  335   1HB   ALA  51           HB1      ALA  51  10.063   5.112   5.112
  336   2HB   ALA  51           HB3      ALA  51   9.760   6.811   6.811
  337   3HB   ALA  51           HB2      ALA  51  10.412   5.610   5.610
  338    H    LEU  52           HN       LEU  52   6.549   7.231   7.231
  339    HA   LEU  52           HA       LEU  52   6.966   6.719   6.719
  340   1HB   LEU  52           HB2      LEU  52   4.153   6.504   6.504
  341   2HB   LEU  52           HB1      LEU  52   4.354   7.164   7.164
  342    HG   LEU  52           HG       LEU  52   5.315   4.385   4.385
  343   1HD1  LEU  52          HD13      LEU  52   2.875   4.555   4.555
  344   2HD1  LEU  52          HD12      LEU  52   2.653   5.075   5.075
  345   3HD1  LEU  52          HD11      LEU  52   3.319   3.440   3.440
  346   1HD2  LEU  52          HD21      LEU  52   6.404   5.312   5.312
  347   2HD2  LEU  52          HD23      LEU  52   5.381   3.890   3.890
  348   3HD2  LEU  52          HD22      LEU  52   4.801   5.548   5.548
  349    HA   PRO  53           HA       PRO  53   6.616  11.014  11.014
  350   1HB   PRO  53           HB2      PRO  53   6.436  12.333  12.333
  351   2HB   PRO  53           HB1      PRO  53   7.955  11.564  11.564
  352   1HG   PRO  53           HG1      PRO  53   5.899  10.422  10.422
  353   2HG   PRO  53           HG2      PRO  53   7.704  10.418  10.418
  354   1HD   PRO  53           HD1      PRO  53   6.202   8.244   8.244
  355   2HD   PRO  53           HD2      PRO  53   7.893   8.581   8.581
  356    H    ASP  54           HN       ASP  54   5.027  12.916  12.916
  357    HA   ASP  54           HA       ASP  54   2.632  11.942  11.942
  358   1HB   ASP  54           HB2      ASP  54   3.318  14.761  14.761
  359   2HB   ASP  54           HB1      ASP  54   1.876  14.347  14.347
  360    H    ASN  55           HN       ASN  55   3.540  12.581  12.581
  361    HA   ASN  55           HA       ASN  55   0.917  13.346  13.346
  362   1HB   ASN  55           HB2      ASN  55   1.968  13.325  13.325
  363   2HB   ASN  55           HB1      ASN  55   2.863  14.341  14.341
  364   1HD2  ASN  55          HD21      ASN  55   4.742  11.078  11.078
  365   2HD2  ASN  55          HD22      ASN  55   3.102  11.487  11.487
  366    H    VAL  56           HN       VAL  56   2.109  10.367  10.367
  367    HA   VAL  56           HA       VAL  56   0.870   8.951   8.951
  368    HB   VAL  56           HB       VAL  56   2.390   7.682   7.682
  369   1HG1  VAL  56          HG13      VAL  56   1.765   6.838   6.838
  370   2HG1  VAL  56          HG12      VAL  56   2.699   5.870   5.870
  371   3HG1  VAL  56          HG11      VAL  56   0.955   6.202   6.202
  372   1HG2  VAL  56          HG21      VAL  56   3.515   8.951   8.951
  373   2HG2  VAL  56          HG23      VAL  56   3.952   9.333   9.333
  374   3HG2  VAL  56          HG22      VAL  56   4.415   7.751   7.751
  375    H    GLY  57           HN       GLY  57  -1.221   8.128   8.128
  376   1HA   GLY  57           HA2      GLY  57  -2.202   8.483   8.483
  377   2HA   GLY  57           HA1      GLY  57  -3.156   8.206   8.206
  378    H    ILE  58           HN       ILE  58  -3.587   6.551   6.551
  379    HA   ILE  58           HA       ILE  58  -2.383   4.055   4.055
  380    HB   ILE  58           HB       ILE  58  -1.620   3.669   3.669
  381   1HG1  ILE  58          HG12      ILE  58  -1.786   6.702   6.702
  382   2HG1  ILE  58          HG11      ILE  58  -3.038   5.560   5.560
  383   1HG2  ILE  58          HG23      ILE  58  -0.070   4.374   4.374
  384   2HG2  ILE  58          HG22      ILE  58  -0.121   6.045   6.045
  385   3HG2  ILE  58          HG21      ILE  58   0.553   4.705   4.705
  386   1HD1  ILE  58          HD11      ILE  58  -1.294   4.255   4.255
  387   2HD1  ILE  58          HD13      ILE  58  -0.051   5.457   5.457
  388   3HD1  ILE  58          HD12      ILE  58  -1.411   5.970   5.970
  389    H    ILE  59           HN       ILE  59  -3.289   2.821   2.821
  390    HA   ILE  59           HA       ILE  59  -6.049   2.717   2.717
  391    HB   ILE  59           HB       ILE  59  -5.312   1.811   1.811
  392   1HG1  ILE  59          HG12      ILE  59  -3.328   1.018   1.018
  393   2HG1  ILE  59          HG11      ILE  59  -4.463  -0.334  -0.334
  394   1HG2  ILE  59          HG23      ILE  59  -7.601   1.621   1.621
  395   2HG2  ILE  59          HG22      ILE  59  -6.967   0.568   0.568
  396   3HG2  ILE  59          HG21      ILE  59  -6.888   0.019   0.019
  397   1HD1  ILE  59          HD11      ILE  59  -5.011  -0.092  -0.092
  398   2HD1  ILE  59          HD13      ILE  59  -3.416   0.758   0.758
  399   3HD1  ILE  59          HD12      ILE  59  -3.498  -0.928  -0.928
  400    H    VAL  60           HN       VAL  60  -7.624   4.037   4.037
  401    HA   VAL  60           HA       VAL  60  -6.909   5.812   5.812
  402    HB   VAL  60           HB       VAL  60  -8.491   6.212   6.212
  403   1HG1  VAL  60          HG12      VAL  60  -8.962   7.735   7.735
  404   2HG1  VAL  60          HG11      VAL  60  -9.501   8.262   8.262
  405   3HG1  VAL  60          HG13      VAL  60 -10.161   6.752   6.752
  406   1HG2  VAL  60          HG23      VAL  60  -6.099   6.847   6.847
  407   2HG2  VAL  60          HG22      VAL  60  -7.156   8.292   8.292
  408   3HG2  VAL  60          HG21      VAL  60  -6.424   7.907   7.907
  409    H    GLU  61           HN       GLU  61  -7.625   4.821   4.821
  410    HA   GLU  61           HA       GLU  61  -8.746   3.644   3.644
  411   1HB   GLU  61           HB2      GLU  61 -10.548   5.340   5.340
  412   2HB   GLU  61           HB1      GLU  61 -11.186   4.261   4.261
  413   1HG   GLU  61           HG2      GLU  61 -12.572   4.217   4.217
  414   2HG   GLU  61           HG1      GLU  61 -11.867   2.596   2.596
  415    H    GLY  62           HN       GLY  62 -11.246   2.163   2.163
  416   1HA   GLY  62           HA2      GLY  62  -9.855   0.663   0.663
  417   2HA   GLY  62           HA1      GLY  62 -10.743  -0.279  -0.279
  418    H    GLU  63           HN       GLU  63 -11.138   2.965   2.965
  419    HA   GLU  63           HA       GLU  63 -13.936   2.736   2.736
  420   1HB   GLU  63           HB2      GLU  63 -12.717   4.894   4.894
  421   2HB   GLU  63           HB1      GLU  63 -12.433   4.994   4.994
  422   1HG   GLU  63           HG2      GLU  63 -14.925   5.115   5.115
  423   2HG   GLU  63           HG1      GLU  63 -15.192   4.979   4.979
  424    H    LYS  64           HN       LYS  64 -12.017   3.207   3.207
  425    HA   LYS  64           HA       LYS  64 -14.196   1.919   1.919
  426   1HB   LYS  64           HB2      LYS  64 -14.450   4.663   4.663
  427   2HB   LYS  64           HB1      LYS  64 -13.414   4.582   4.582
  428   1HG   LYS  64           HG2      LYS  64 -15.169   2.994   2.994
  429   2HG   LYS  64           HG1      LYS  64 -16.128   3.183   3.183
  430   1HD   LYS  64           HD2      LYS  64 -16.192   5.708   5.708
  431   2HD   LYS  64           HD1      LYS  64 -15.448   5.359   5.359
  432   1HE   LYS  64           HE2      LYS  64 -18.177   4.332   4.332
  433   2HE   LYS  64           HE1      LYS  64 -17.905   5.567   5.567
  434   1HZ   LYS  64           HZ3      LYS  64 -16.718   3.759   3.759
  435   2HZ   LYS  64           HZ2      LYS  64 -17.299   2.667   2.667
  436   3HZ   LYS  64           HZ1      LYS  64 -18.389   3.541   3.541
  437    H    CYS  65           HN       CYS  65 -13.472   2.190   2.190
  438    HA   CYS  65           HA       CYS  65 -10.677   2.121   2.121
  439   1HB   CYS  65           HB2      CYS  65 -11.186  -0.330  -0.330
  440   2HB   CYS  65           HB1      CYS  65 -12.603  -0.224  -0.224
  441    H    HIS  66           HN       HIS  66 -10.527   3.187   3.187
  442    HA   HIS  66           HA       HIS  66 -12.715   3.167   3.167
  443   1HB   HIS  66           HB2      HIS  66 -13.162   5.616   5.616
  444   2HB   HIS  66           HB1      HIS  66 -13.663   4.956   4.956
  445    HD1  HIS  66           HD1      HIS  66 -10.888   5.153   5.153
  446    HD2  HIS  66           HD2      HIS  66 -12.561   8.173   8.173
  447    HE1  HIS  66           HE1      HIS  66  -9.811   7.360   7.360
  448    HE2  HIS  66           HE2      HIS  66 -10.965   9.154   9.154
  449    H    SER  67           HN       SER  67 -11.617   4.458   4.458
  450    HA   SER  67           HA       SER  67  -8.754   4.374   4.374
  451   1HB   SER  67           HB2      SER  67 -10.362   2.765   2.765
  452   2HB   SER  67           HB1      SER  67  -8.565   2.838   2.838
  453    HG   SER  67           HG       SER  67  -8.667   1.581   1.581
  454   1HN   NH2  68           H1       NH2  68  -9.189   6.846   6.846
  455   2HN   NH2  68           H2       NH2  68  -8.046   5.996   5.996