*HEADER   SH2 DOMAIN                              18-NOV-97   1BFI    
*TITLE    SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE      
*TITLE   2 P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE,  
*TITLE   3 NMR, 30 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: P85 ALPHA;                                       
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: C TERMINAL SH2 DOMAIN;                           
*COMPND  5 SYNONYM: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA    
*COMPND  6 SUBUNIT, PI3-KINASE P85-ALPHA SUBUNIT;                     
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 BIOLOGICAL_UNIT: HETERODIMER OF A P110 (CATALYTIC) AND A   
*COMPND  9 P85 (REGULATORY) SUBUNIT                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BOS TAURUS;                           
*SOURCE  3 ORGANISM_COMMON: BOVINE;                                   
*SOURCE  4 ORGAN: BRAIN;                                              
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  7 EXPRESSION_SYSTEM_VECTOR: PET-23D                          
*KEYWDS   SH2 DOMAIN, P85ALPHA, PI 3-KINASE, NMR, C TERMINAL SH2      
*KEYWDS  2 DOMAIN                                                     
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   G.SIEGAL,B.DAVIS,S.M.KRISTENSEN,A.SANKAR,J.LINACRE,         
*AUTHOR  2 R.C.STEIN,G.PANAYOTOU,M.D.WATERFIELD,P.C.DRISCOLL          
*REVDAT  1   25-FEB-98 1BFI    0                                      
 
ASSIGN (RESID   1 AND NAME HA   ) (RESID   1 AND NAME HB*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID   1 AND NAME HA   ) (RESID   1 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID   1 AND NAME HA   ) (RESID   1 AND NAME HG*  )  0.00 0.00 4.30  !derived from Q
ASSIGN (RESID   1 AND NAME HB*  ) (RESID   1 AND NAME HG*  )  0.00 0.00 3.90  !derived from Q
ASSIGN (RESID   1 AND NAME HB*  ) (RESID   1 AND NAME HG*  )  0.00 0.00 3.80  !derived from Q
ASSIGN (RESID   2 AND NAME HN   ) (RESID   2 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID   2 AND NAME HN   ) (RESID   2 AND NAME HB*  )  0.00 0.00 2.90  !derived from H23
ASSIGN (RESID   2 AND NAME HN   ) (RESID   2 AND NAME HB*  )  0.00 0.00 3.60  !derived from H33
ASSIGN (RESID   2 AND NAME HA   ) (RESID   2 AND NAME HB*  )  0.00 0.00 2.70  !derived from H23
ASSIGN (RESID   2 AND NAME HA   ) (RESID   2 AND NAME HB*  )  0.00 0.00 2.90  !derived from H33
ASSIGN (RESID   2 AND NAME HA   ) (RESID   3 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID   2 AND NAME HB*  ) (RESID   3 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID   2 AND NAME HB*  ) (RESID   3 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID   2 AND NAME HB*  ) (RESID   6 AND NAME HD2  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HB*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HG   )  0.00 0.00 4.70  
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q1
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q2
ASSIGN (RESID   3 AND NAME HN   ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   3 AND NAME HN   ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   3 AND NAME HN   ) (RESID   6 AND NAME HD2  )  0.00 0.00 4.30  
ASSIGN (RESID   3 AND NAME HA   ) (RESID   3 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID   3 AND NAME HA   ) (RESID   3 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID   3 AND NAME HA   ) (RESID   3 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID   3 AND NAME HA   ) (RESID   3 AND NAME HD*  )  0.00 0.00 4.50  !derived from Q1
ASSIGN (RESID   3 AND NAME HA   ) (RESID   3 AND NAME HD*  )  0.00 0.00 5.50  !derived from Q2
ASSIGN (RESID   3 AND NAME HA   ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID   3 AND NAME HA   ) (RESID   4 AND NAME HD*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID   3 AND NAME HA   ) (RESID   5 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   3 AND NAME HG   )  0.00 0.00 4.00  
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   3 AND NAME HD*  )  0.00 0.00 4.50  !derived from Q1
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   3 AND NAME HD*  )  0.00 0.00 5.50  !derived from Q2
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.40  !derived from H23
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   5 AND NAME HN   )  0.00 0.00 2.90  
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   5 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   6 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   6 AND NAME HD2  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   3 AND NAME HG   )  0.00 0.00 2.60  
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   3 AND NAME HD*  )  0.00 0.00 5.20  !derived from Q1
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   3 AND NAME HD*  )  0.00 0.00 3.80  !derived from Q2
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   5 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   5 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   6 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   6 AND NAME HD2  )  0.00 0.00 5.10  !derived from H33
ASSIGN (RESID   3 AND NAME HG   ) (RESID   3 AND NAME HD*  )  0.00 0.00 3.00  !derived from Q1
ASSIGN (RESID   3 AND NAME HG   ) (RESID   3 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q2
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   4 AND NAME HG*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   4 AND NAME HG*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.40  !derived from H23
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.40  !derived from H33
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   5 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   5 AND NAME HE1  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID   3 AND NAME HD*  ) (RESID  86 AND NAME HE21 )  0.00 0.00 5.40  !derived from Q1
ASSIGN (RESID   3 AND NAME HD*  ) (RESID  86 AND NAME HE22 )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   5 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID   3 AND NAME HD*  ) (RESID   5 AND NAME HE1  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   3 AND NAME HD*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   3 AND NAME HD*  ) (RESID  86 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID   3 AND NAME HD*  ) (RESID  86 AND NAME HE21 )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   3 AND NAME HD*  ) (RESID  86 AND NAME HE22 )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   4 AND NAME HA   ) (RESID   4 AND NAME HB*  )  0.00 0.00 2.80  !derived from H23
ASSIGN (RESID   4 AND NAME HA   ) (RESID   4 AND NAME HB*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID   4 AND NAME HA   ) (RESID   4 AND NAME HG*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID   4 AND NAME HA   ) (RESID   4 AND NAME HG*  )  0.00 0.00 5.00  !derived from H33
ASSIGN (RESID   4 AND NAME HA   ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   4 AND NAME HA   ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   4 AND NAME HA   ) (RESID   5 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID   4 AND NAME HA   ) (RESID   6 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID   4 AND NAME HA   ) (RESID  10 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID   4 AND NAME HA   ) (RESID 107 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HG*  )  0.00 0.00 3.20  !derived from H23
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HG*  )  0.00 0.00 4.40  !derived from H33
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 5.30  !derived from H33
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   5 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID   4 AND NAME HB*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 6.20  !derived from H23
ASSIGN (RESID   4 AND NAME HB*  ) (RESID 107 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID   4 AND NAME HB*  ) (RESID 107 AND NAME HB*  )  0.00 0.00 5.40  !derived from H3
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HG*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HG*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.80  !derived from H23
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.50  !derived from H33
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   5 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID   4 AND NAME HB*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 5.60  !derived from H33
ASSIGN (RESID   4 AND NAME HB*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   4 AND NAME HB*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   4 AND NAME HB*  ) (RESID 107 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID   4 AND NAME HB*  ) (RESID 107 AND NAME HB*  )  0.00 0.00 5.40  !derived from H3
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.50  !derived from H33
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   5 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID   4 AND NAME HG*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 107 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 107 AND NAME HB*  )  0.00 0.00 5.90  !derived from H3
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   4 AND NAME HD*  )  0.00 0.00 4.30  !derived from H33
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   5 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID   4 AND NAME HG*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 107 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID   4 AND NAME HG*  ) (RESID 107 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID   4 AND NAME HD*  ) (RESID   5 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID   4 AND NAME HD*  ) (RESID   5 AND NAME HE1  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   4 AND NAME HD*  ) (RESID   5 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID   4 AND NAME HD*  ) (RESID   5 AND NAME HE1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID   5 AND NAME HN   ) (RESID   6 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID   5 AND NAME HN   ) (RESID   7 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID   5 AND NAME HN   ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   5 AND NAME HA   ) (RESID   5 AND NAME HB*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID   5 AND NAME HA   ) (RESID   5 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID   5 AND NAME HA   ) (RESID   5 AND NAME HD2  )  0.00 0.00 5.50  
ASSIGN (RESID   5 AND NAME HA   ) (RESID   6 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID   5 AND NAME HA   ) (RESID   7 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID   5 AND NAME HA   ) (RESID  11 AND NAME HD1  )  0.00 0.00 4.30  
ASSIGN (RESID   5 AND NAME HA   ) (RESID  11 AND NAME HE1  )  0.00 0.00 3.60  
ASSIGN (RESID   5 AND NAME HA   ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID   5 AND NAME HA   ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   5 AND NAME HB*  ) (RESID   5 AND NAME HD2  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   5 AND NAME HB*  ) (RESID   6 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  11 AND NAME HE1  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.40  !derived from H23
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  83 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.30  !derived from Q2
ASSIGN (RESID   5 AND NAME HB*  ) (RESID   5 AND NAME HD2  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   5 AND NAME HB*  ) (RESID   6 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  11 AND NAME HE1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  83 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID   5 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.10  !derived from Q2
ASSIGN (RESID   5 AND NAME HD2  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   5 AND NAME HE1  ) (RESID  33 AND NAME HE1  )  0.00 0.00 5.50  !derived from Q2
ASSIGN (RESID   5 AND NAME HE1  ) (RESID  33 AND NAME HZ   )  0.00 0.00 5.50  
ASSIGN (RESID   5 AND NAME HE1  ) (RESID  83 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID   5 AND NAME HE1  ) (RESID  86 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   5 AND NAME HE1  ) (RESID  86 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID   6 AND NAME HN   ) (RESID   6 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID   6 AND NAME HN   ) (RESID   6 AND NAME HB*  )  0.00 0.00 3.20  !derived from H23
ASSIGN (RESID   6 AND NAME HN   ) (RESID   6 AND NAME HB*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID   6 AND NAME HN   ) (RESID   7 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID   6 AND NAME HN   ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   6 AND NAME HA   ) (RESID   6 AND NAME HB*  )  0.00 0.00 3.40  !derived from H23
ASSIGN (RESID   6 AND NAME HA   ) (RESID   6 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID   6 AND NAME HA   ) (RESID   7 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID   6 AND NAME HA   ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID   6 AND NAME HA   ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   6 AND NAME HB*  ) (RESID   6 AND NAME HD2  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   6 AND NAME HB*  ) (RESID   7 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID   6 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   6 AND NAME HB*  ) (RESID   6 AND NAME HD2  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   6 AND NAME HB*  ) (RESID   7 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID   6 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   6 AND NAME HD2  ) (RESID   6 AND NAME HE1  )  0.00 0.00 5.50  !derived from Q2
ASSIGN (RESID   6 AND NAME HD2  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   6 AND NAME HE1  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.30  !derived from Q1
ASSIGN (RESID   6 AND NAME HE1  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID   7 AND NAME HN   ) (RESID   7 AND NAME HA   )  0.00 0.00 2.80  
ASSIGN (RESID   7 AND NAME HN   ) (RESID   7 AND NAME HB*  )  0.00 0.00 2.90  !derived from H23
ASSIGN (RESID   7 AND NAME HN   ) (RESID   7 AND NAME HB*  )  0.00 0.00 2.90  !derived from H33
ASSIGN (RESID   7 AND NAME HN   ) (RESID   8 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID   7 AND NAME HN   ) (RESID  10 AND NAME HG2* )  0.00 0.00 5.60  
ASSIGN (RESID   7 AND NAME HA   ) (RESID   7 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID   7 AND NAME HA   ) (RESID   7 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID   7 AND NAME HA   ) (RESID   8 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID   7 AND NAME HA   ) (RESID   9 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID   7 AND NAME HB*  ) (RESID   8 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID   7 AND NAME HB*  ) (RESID   9 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID   7 AND NAME HB*  ) (RESID  10 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID   7 AND NAME HB*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 4.90  !derived from H23
ASSIGN (RESID   7 AND NAME HB*  ) (RESID   8 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID   7 AND NAME HB*  ) (RESID   9 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID   7 AND NAME HB*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 5.00  !derived from H33
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HG*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HG*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   8 AND NAME HN   ) (RESID   9 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID   8 AND NAME HN   ) (RESID   9 AND NAME HB*  )  0.00 0.00 4.50  !derived from H33
ASSIGN (RESID   8 AND NAME HA   ) (RESID   8 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID   8 AND NAME HA   ) (RESID   8 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID   8 AND NAME HA   ) (RESID   8 AND NAME HG*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID   8 AND NAME HA   ) (RESID   8 AND NAME HG*  )  0.00 0.00 5.10  !derived from H33
ASSIGN (RESID   8 AND NAME HA   ) (RESID   9 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID   8 AND NAME HA   ) (RESID  10 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID   8 AND NAME HA   ) (RESID  10 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID   8 AND NAME HA   ) (RESID  11 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID   8 AND NAME HA   ) (RESID  11 AND NAME HD1  )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HA   ) (RESID  11 AND NAME HE1  )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HA   ) (RESID  11 AND NAME HZ2  )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HA   ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID   8 AND NAME HB*  ) (RESID   8 AND NAME HG*  )  0.00 0.00 2.70  !derived from H23
ASSIGN (RESID   8 AND NAME HB*  ) (RESID   8 AND NAME HG*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID   8 AND NAME HB*  ) (RESID   9 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID   8 AND NAME HB*  ) (RESID   8 AND NAME HG*  )  0.00 0.00 2.80  !derived from H23
ASSIGN (RESID   8 AND NAME HB*  ) (RESID   8 AND NAME HG*  )  0.00 0.00 3.40  !derived from H33
ASSIGN (RESID   8 AND NAME HB*  ) (RESID   9 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID   8 AND NAME HB*  ) (RESID  11 AND NAME HZ2  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID   8 AND NAME HB*  ) (RESID  79 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  11 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  11 AND NAME HZ3  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  11 AND NAME HZ2  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HB*  )  0.00 0.00 4.70  !derived from H23
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HB*  )  0.00 0.00 4.80  !derived from H33
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  35 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  35 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  11 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  11 AND NAME HZ3  )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  11 AND NAME HH2  )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HB*  )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HB*  )  0.00 0.00 4.90  !derived from H33
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HE*  )  0.00 0.00 5.80  !derived from Q
ASSIGN (RESID   9 AND NAME HN   ) (RESID  10 AND NAME HN   )  0.00 0.00 3.20  
ASSIGN (RESID   9 AND NAME HN   ) (RESID  10 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID   9 AND NAME HN   ) (RESID  11 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HB*  )  0.00 0.00 3.50  !derived from H33
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HG*  )  0.00 0.00 5.20  !derived from Q
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID   9 AND NAME HA   ) (RESID  11 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID   9 AND NAME HA   ) (RESID  12 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID   9 AND NAME HB*  ) (RESID   9 AND NAME HG*  )  0.00 0.00 4.60  !derived from Q
ASSIGN (RESID   9 AND NAME HB*  ) (RESID   9 AND NAME HD*  )  0.00 0.00 3.60  !derived from Q
ASSIGN (RESID   9 AND NAME HB*  ) (RESID   9 AND NAME HE*  )  0.00 0.00 5.40  !derived from Q
ASSIGN (RESID   9 AND NAME HB*  ) (RESID  10 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID   9 AND NAME HB*  ) (RESID   9 AND NAME HG*  )  0.00 0.00 3.90  !derived from Q
ASSIGN (RESID   9 AND NAME HB*  ) (RESID   9 AND NAME HD*  )  0.00 0.00 3.80  !derived from Q
ASSIGN (RESID   9 AND NAME HB*  ) (RESID   9 AND NAME HE*  )  0.00 0.00 3.80  !derived from Q
ASSIGN (RESID   9 AND NAME HB*  ) (RESID  10 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID   9 AND NAME HB*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID   9 AND NAME HG*  ) (RESID   9 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q
ASSIGN (RESID   9 AND NAME HG*  ) (RESID   9 AND NAME HE*  )  0.00 0.00 5.30  !derived from Q
ASSIGN (RESID   9 AND NAME HG*  ) (RESID 107 AND NAME HA   )  0.00 0.00 6.20  
ASSIGN (RESID   9 AND NAME HD*  ) (RESID   9 AND NAME HE*  )  0.00 0.00 5.80  !derived from Q
ASSIGN (RESID   9 AND NAME HD*  ) (RESID  10 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID   9 AND NAME HE*  ) (RESID  11 AND NAME HE1  )  0.00 0.00 5.60  !derived from Q
ASSIGN (RESID  10 AND NAME HN   ) (RESID  10 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  10 AND NAME HN   ) (RESID  10 AND NAME HB   )  0.00 0.00 4.40  
ASSIGN (RESID  10 AND NAME HN   ) (RESID  10 AND NAME HG2* )  0.00 0.00 3.80  
ASSIGN (RESID  10 AND NAME HN   ) (RESID  11 AND NAME HN   )  0.00 0.00 2.70  
ASSIGN (RESID  10 AND NAME HN   ) (RESID  11 AND NAME HD1  )  0.00 0.00 5.50  
ASSIGN (RESID  10 AND NAME HA   ) (RESID  10 AND NAME HG2* )  0.00 0.00 4.10  
ASSIGN (RESID  10 AND NAME HA   ) (RESID  11 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  10 AND NAME HA   ) (RESID  11 AND NAME HE1  )  0.00 0.00 5.50  
ASSIGN (RESID  10 AND NAME HA   ) (RESID 106 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  10 AND NAME HA   ) (RESID 106 AND NAME HA   )  0.00 0.00 4.20  
ASSIGN (RESID  10 AND NAME HA   ) (RESID 106 AND NAME HB*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID  10 AND NAME HA   ) (RESID 106 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  10 AND NAME HA   ) (RESID 106 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  10 AND NAME HA   ) (RESID 107 AND NAME HA   )  0.00 0.00 4.20  
ASSIGN (RESID  10 AND NAME HA   ) (RESID 107 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  10 AND NAME HB   ) (RESID  10 AND NAME HG2* )  0.00 0.00 3.60  
ASSIGN (RESID  10 AND NAME HB   ) (RESID 104 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  10 AND NAME HB   ) (RESID 104 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  10 AND NAME HB   ) (RESID 106 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  10 AND NAME HB   ) (RESID 106 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  10 AND NAME HB   ) (RESID 106 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  10 AND NAME HB   ) (RESID 107 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  10 AND NAME HB   ) (RESID 107 AND NAME HA   )  0.00 0.00 4.90  
ASSIGN (RESID  10 AND NAME HB   ) (RESID 107 AND NAME HB*  )  0.00 0.00 5.80  !derived from H3
ASSIGN (RESID  10 AND NAME HG2* ) (RESID  11 AND NAME HN   )  0.00 0.00 6.20  
ASSIGN (RESID  10 AND NAME HG2* ) (RESID  11 AND NAME HE1  )  0.00 0.00 6.50  
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 103 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 104 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 104 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 104 AND NAME HD*  )  0.00 0.00 6.40  !derived from Q
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 106 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 106 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 106 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 107 AND NAME HN   )  0.00 0.00 5.80  
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 107 AND NAME HA   )  0.00 0.00 5.10  
ASSIGN (RESID  10 AND NAME HG2* ) (RESID 107 AND NAME HB*  )  0.00 0.00 5.70  !derived from H3
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HB*  )  0.00 0.00 4.60  !derived from H33
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HD1  )  0.00 0.00 4.90  
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HE1  )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HN   ) (RESID  12 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  11 AND NAME HN   ) (RESID  12 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HN   ) (RESID  12 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  11 AND NAME HN   ) (RESID  12 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  11 AND NAME HN   ) (RESID 104 AND NAME HA   )  0.00 0.00 5.00  
ASSIGN (RESID  11 AND NAME HA   ) (RESID  11 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  11 AND NAME HA   ) (RESID  11 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  11 AND NAME HA   ) (RESID  12 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  11 AND NAME HA   ) (RESID 105 AND NAME HG1* )  0.00 0.00 5.70  
ASSIGN (RESID  11 AND NAME HA   ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  11 AND NAME HB*  ) (RESID  11 AND NAME HD1  )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID  11 AND NAME HB*  ) (RESID  33 AND NAME HZ   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HB*  ) (RESID  35 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  11 AND NAME HB*  ) (RESID  11 AND NAME HD1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  11 AND NAME HB*  ) (RESID  33 AND NAME HE1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  11 AND NAME HB*  ) (RESID  33 AND NAME HZ   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HB*  ) (RESID  35 AND NAME HB   )  0.00 0.00 3.40  
ASSIGN (RESID  11 AND NAME HB*  ) (RESID 104 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HB*  ) (RESID 104 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  11 AND NAME HB*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  11 AND NAME HD1  ) (RESID  11 AND NAME HE1  )  0.00 0.00 3.00  !derived from H33
ASSIGN (RESID  11 AND NAME HD1  ) (RESID  12 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HD1  ) (RESID  33 AND NAME HE1  )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HD1  ) (RESID  33 AND NAME HZ   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HD1  ) (RESID 104 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HD1  ) (RESID 104 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  11 AND NAME HZ3  )  0.00 0.00 5.00  !derived from H3
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  11 AND NAME HH2  )  0.00 0.00 5.50  !derived from H3
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  12 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  12 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  12 AND NAME HB*  )  0.00 0.00 5.20  !derived from H33
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  33 AND NAME HE1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  35 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  35 AND NAME HB   )  0.00 0.00 3.80  
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  35 AND NAME HG2* )  0.00 0.00 4.10  
ASSIGN (RESID  11 AND NAME HE3  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  11 AND NAME HE1  ) (RESID  79 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  11 AND NAME HE1  ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  11 AND NAME HZ2  )  0.00 0.00 5.50  !derived from Q
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  11 AND NAME HH2  )  0.00 0.00 3.70  !derived from Q
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  12 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  12 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  12 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  35 AND NAME HB   )  0.00 0.00 5.00  
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.00  
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  35 AND NAME HG2* )  0.00 0.00 3.90  
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  79 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  11 AND NAME HZ3  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  11 AND NAME HH2  )  0.00 0.00 4.40  !derived from H3
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  79 AND NAME HA   )  0.00 0.00 4.20  
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  79 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  79 AND NAME HG*  )  0.00 0.00 6.20  !derived from Q
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  79 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  79 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  82 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  11 AND NAME HZ2  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  11 AND NAME HH2  ) (RESID  79 AND NAME HA   )  0.00 0.00 4.80  
ASSIGN (RESID  11 AND NAME HH2  ) (RESID  79 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  11 AND NAME HH2  ) (RESID  79 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  11 AND NAME HH2  ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  11 AND NAME HH2  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HB*  )  0.00 0.00 3.20  !derived from H23
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HB*  )  0.00 0.00 2.90  !derived from H33
ASSIGN (RESID  12 AND NAME HN   ) (RESID  13 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  12 AND NAME HA   ) (RESID  12 AND NAME HB*  )  0.00 0.00 4.30  !derived from H23
ASSIGN (RESID  12 AND NAME HA   ) (RESID  12 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  12 AND NAME HA   ) (RESID  13 AND NAME HN   )  0.00 0.00 2.90  
ASSIGN (RESID  12 AND NAME HA   ) (RESID  13 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  12 AND NAME HA   ) (RESID  13 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  12 AND NAME HA   ) (RESID  14 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  12 AND NAME HA   ) (RESID  35 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  12 AND NAME HA   ) (RESID  35 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  12 AND NAME HA   ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  12 AND NAME HA   ) (RESID  35 AND NAME HG2* )  0.00 0.00 6.40  
ASSIGN (RESID  12 AND NAME HB*  ) (RESID  12 AND NAME HD2* )  0.00 0.00 5.40  !derived from H13
ASSIGN (RESID  12 AND NAME HB*  ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.40  !derived from H23
ASSIGN (RESID  12 AND NAME HB*  ) (RESID  35 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  12 AND NAME HB*  ) (RESID  12 AND NAME HD2* )  0.00 0.00 5.20  !derived from H13
ASSIGN (RESID  12 AND NAME HB*  ) (RESID  13 AND NAME HN   )  0.00 0.00 5.40  
ASSIGN (RESID  12 AND NAME HB*  ) (RESID  14 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  12 AND NAME HB*  ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.50  !derived from H13
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  14 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  35 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  35 AND NAME HG1* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HB   )  0.00 0.00 3.80  
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HG*  )  0.00 0.00 3.80  !derived from Q1
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HG*  )  0.00 0.00 4.30  !derived from Q2
ASSIGN (RESID  13 AND NAME HN   ) (RESID  34 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HN   ) (RESID  35 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  13 AND NAME HN   ) (RESID  35 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  13 AND NAME HN   ) (RESID  36 AND NAME HA   )  0.00 0.00 3.90  
ASSIGN (RESID  13 AND NAME HA   ) (RESID  13 AND NAME HB   )  0.00 0.00 3.30  
ASSIGN (RESID  13 AND NAME HA   ) (RESID  13 AND NAME HG*  )  0.00 0.00 5.60  !derived from Q1
ASSIGN (RESID  13 AND NAME HA   ) (RESID  13 AND NAME HG*  )  0.00 0.00 4.50  !derived from Q2
ASSIGN (RESID  13 AND NAME HA   ) (RESID  14 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  13 AND NAME HA   ) (RESID 106 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  13 AND NAME HB   ) (RESID  13 AND NAME HG*  )  0.00 0.00 4.80  !derived from Q1
ASSIGN (RESID  13 AND NAME HB   ) (RESID  13 AND NAME HG*  )  0.00 0.00 3.20  !derived from Q2
ASSIGN (RESID  13 AND NAME HB   ) (RESID  14 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  13 AND NAME HB   ) (RESID  16 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  13 AND NAME HB   ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  13 AND NAME HB   ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  13 AND NAME HB   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HB   ) (RESID 106 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  14 AND NAME HN   )  0.00 0.00 5.40  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  16 AND NAME HB*  )  0.00 0.00 5.70  !derived from H23
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  16 AND NAME HB*  )  0.00 0.00 6.10  !derived from H33
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  35 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HA   )  0.00 0.00 5.00  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  37 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID 105 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  13 AND NAME HG*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 7.20  !derived from Q1
ASSIGN (RESID  13 AND NAME HG*  ) (RESID 106 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  14 AND NAME HN   )  0.00 0.00 5.90  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  16 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  16 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  34 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  35 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  13 AND NAME HG*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  13 AND NAME HG*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 5.70  !derived from Q2
ASSIGN (RESID  13 AND NAME HG*  ) (RESID 106 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  13 AND NAME HG*  ) (RESID 106 AND NAME HE*  )  0.00 0.00 7.80  !derived from Q
ASSIGN (RESID  14 AND NAME HN   ) (RESID  14 AND NAME HA*  )  0.00 0.00 3.10  !derived from H2
ASSIGN (RESID  14 AND NAME HN   ) (RESID  14 AND NAME HA*  )  0.00 0.00 2.90  !derived from H2
ASSIGN (RESID  14 AND NAME HN   ) (RESID  36 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID  15 AND NAME HA   ) (RESID  15 AND NAME HB*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID  15 AND NAME HA   ) (RESID  15 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HA   )  0.00 0.00 4.00  
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HB*  )  0.00 0.00 4.30  !derived from H23
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  16 AND NAME HA   ) (RESID  16 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  16 AND NAME HA   ) (RESID  16 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  16 AND NAME HA   ) (RESID  20 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  16 AND NAME HA   ) (RESID  20 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  20 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  20 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  21 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  34 AND NAME HD1* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 5.40  !derived from H33
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  20 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  20 AND NAME HG*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  20 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  21 AND NAME HB*  )  0.00 0.00 6.10  !derived from H3
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 4.50  !derived from H23
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HB*  )  0.00 0.00 4.90  !derived from H33
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.30  !derived from H23
ASSIGN (RESID  16 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  17 AND NAME HB*  ) (RESID  17 AND NAME HD2* )  0.00 0.00 6.50  !derived from H13
ASSIGN (RESID  17 AND NAME HB*  ) (RESID  17 AND NAME HD2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  18 AND NAME HA   ) (RESID  18 AND NAME HB*  )  0.00 0.00 4.30  !derived from H3
ASSIGN (RESID  18 AND NAME HA   ) (RESID  18 AND NAME HG*  )  0.00 0.00 5.30  !derived from H23
ASSIGN (RESID  18 AND NAME HA   ) (RESID  18 AND NAME HG*  )  0.00 0.00 5.30  !derived from H33
ASSIGN (RESID  18 AND NAME HA   ) (RESID  18 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  18 AND NAME HA   ) (RESID  19 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  18 AND NAME HA   ) (RESID  21 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  18 AND NAME HA   ) (RESID  21 AND NAME HB*  )  0.00 0.00 5.10  !derived from H3
ASSIGN (RESID  18 AND NAME HA   ) (RESID  22 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  18 AND NAME HA   ) (RESID  56 AND NAME HE1  )  0.00 0.00 5.50  
ASSIGN (RESID  18 AND NAME HB*  ) (RESID  18 AND NAME HG*  )  0.00 0.00 5.60  !derived from H23
ASSIGN (RESID  18 AND NAME HB*  ) (RESID  18 AND NAME HG*  )  0.00 0.00 6.10  !derived from H33
ASSIGN (RESID  18 AND NAME HB*  ) (RESID  18 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q
ASSIGN (RESID  18 AND NAME HB*  ) (RESID  19 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  18 AND NAME HB*  ) (RESID  19 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  18 AND NAME HG*  ) (RESID  18 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q
ASSIGN (RESID  18 AND NAME HG*  ) (RESID  37 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  18 AND NAME HG*  ) (RESID  56 AND NAME HD2  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  18 AND NAME HG*  ) (RESID  18 AND NAME HD*  )  0.00 0.00 4.80  !derived from Q
ASSIGN (RESID  18 AND NAME HD*  ) (RESID  19 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  18 AND NAME HD*  ) (RESID  36 AND NAME HG*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  18 AND NAME HD*  ) (RESID  56 AND NAME HD2  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  19 AND NAME HN   ) (RESID  19 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID  19 AND NAME HN   ) (RESID  19 AND NAME HB*  )  0.00 0.00 3.70  !derived from H3
ASSIGN (RESID  19 AND NAME HN   ) (RESID  20 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  19 AND NAME HA   ) (RESID  19 AND NAME HB*  )  0.00 0.00 4.20  !derived from H3
ASSIGN (RESID  19 AND NAME HA   ) (RESID  21 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  19 AND NAME HA   ) (RESID  22 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  19 AND NAME HA   ) (RESID  22 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  19 AND NAME HA   ) (RESID  22 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  19 AND NAME HB*  ) (RESID  20 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID  19 AND NAME HB*  ) (RESID  20 AND NAME HA   )  0.00 0.00 6.10  
ASSIGN (RESID  19 AND NAME HB*  ) (RESID  20 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HB*  )  0.00 0.00 3.50  !derived from H3
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HG*  )  0.00 0.00 4.40  !derived from H23
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HG*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  20 AND NAME HN   ) (RESID  21 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  20 AND NAME HN   ) (RESID  21 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HB*  )  0.00 0.00 4.70  !derived from H3
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HG*  )  0.00 0.00 4.70  !derived from H23
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HG*  )  0.00 0.00 4.80  !derived from H33
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HB*  )  0.00 0.00 3.70  !derived from H23
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HB*  )  0.00 0.00 3.50  !derived from H33
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HD2* )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  20 AND NAME HB*  ) (RESID  20 AND NAME HG*  )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID  20 AND NAME HB*  ) (RESID  20 AND NAME HG*  )  0.00 0.00 5.40  !derived from H33
ASSIGN (RESID  20 AND NAME HB*  ) (RESID  20 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q
ASSIGN (RESID  20 AND NAME HB*  ) (RESID  20 AND NAME HE*  )  0.00 0.00 7.20  !derived from Q
ASSIGN (RESID  20 AND NAME HB*  ) (RESID  21 AND NAME HN   )  0.00 0.00 5.30  
ASSIGN (RESID  20 AND NAME HB*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  20 AND NAME HB*  ) (RESID  34 AND NAME HD1* )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  20 AND NAME HD*  )  0.00 0.00 4.30  !derived from Q
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  20 AND NAME HE*  )  0.00 0.00 5.70  !derived from Q
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  21 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  24 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  20 AND NAME HD*  )  0.00 0.00 5.10  !derived from Q
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  20 AND NAME HE*  )  0.00 0.00 3.80  !derived from Q
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  21 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  24 AND NAME HB*  )  0.00 0.00 5.00  !derived from H33
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  20 AND NAME HD*  ) (RESID  20 AND NAME HE*  )  0.00 0.00 5.30  !derived from Q
ASSIGN (RESID  20 AND NAME HD*  ) (RESID  21 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  20 AND NAME HD*  ) (RESID  23 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  20 AND NAME HD*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  20 AND NAME HD*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  20 AND NAME HE*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  20 AND NAME HE*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  21 AND NAME HN   ) (RESID  21 AND NAME HA   )  0.00 0.00 2.90  
ASSIGN (RESID  21 AND NAME HN   ) (RESID  21 AND NAME HB*  )  0.00 0.00 3.80  !derived from H3
ASSIGN (RESID  21 AND NAME HN   ) (RESID  22 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  21 AND NAME HA   ) (RESID  21 AND NAME HB*  )  0.00 0.00 4.60  !derived from H3
ASSIGN (RESID  21 AND NAME HA   ) (RESID  22 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  21 AND NAME HA   ) (RESID  24 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  21 AND NAME HA   ) (RESID  24 AND NAME HB*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID  21 AND NAME HA   ) (RESID  24 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  21 AND NAME HA   ) (RESID  24 AND NAME HD*  )  0.00 0.00 4.70  !derived from Q2
ASSIGN (RESID  21 AND NAME HA   ) (RESID  25 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  21 AND NAME HA   ) (RESID  34 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  21 AND NAME HA   ) (RESID  34 AND NAME HD2* )  0.00 0.00 5.50  
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  22 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  22 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  22 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  22 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  24 AND NAME HB*  )  0.00 0.00 5.60  !derived from H23
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  24 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.90  !derived from Q1
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 7.00  !derived from Q2
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  25 AND NAME HD1* )  0.00 0.00 6.90  !derived from H3
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  34 AND NAME HD1* )  0.00 0.00 7.10  !derived from H3
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  34 AND NAME HD2* )  0.00 0.00 5.40  !derived from H3
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 6.20  !derived from H33
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  21 AND NAME HB*  ) (RESID  56 AND NAME HE1  )  0.00 0.00 6.00  !derived from H3
ASSIGN (RESID  22 AND NAME HN   ) (RESID  22 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  22 AND NAME HN   ) (RESID  22 AND NAME HB*  )  0.00 0.00 2.80  !derived from H23
ASSIGN (RESID  22 AND NAME HN   ) (RESID  22 AND NAME HB*  )  0.00 0.00 3.20  !derived from H33
ASSIGN (RESID  22 AND NAME HN   ) (RESID  22 AND NAME HG*  )  0.00 0.00 5.00  !derived from Q
ASSIGN (RESID  22 AND NAME HN   ) (RESID  23 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  22 AND NAME HN   ) (RESID  25 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  22 AND NAME HN   ) (RESID  25 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  22 AND NAME HN   ) (RESID  25 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  22 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  22 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  22 AND NAME HA   ) (RESID  22 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  22 AND NAME HA   ) (RESID  22 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  22 AND NAME HA   ) (RESID  22 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  22 AND NAME HA   ) (RESID  23 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  22 AND NAME HA   ) (RESID  25 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  22 AND NAME HA   ) (RESID  25 AND NAME HB*  )  0.00 0.00 4.90  !derived from H23
ASSIGN (RESID  22 AND NAME HA   ) (RESID  25 AND NAME HB*  )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID  22 AND NAME HA   ) (RESID  25 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  22 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.50  !derived from Q1
ASSIGN (RESID  22 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.90  !derived from Q2
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  22 AND NAME HG*  )  0.00 0.00 4.90  !derived from Q
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  23 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.50  !derived from Q1
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.50  !derived from Q2
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  22 AND NAME HG*  )  0.00 0.00 6.20  !derived from Q
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  23 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  22 AND NAME HG*  ) (RESID  23 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  22 AND NAME HG*  ) (RESID  54 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  22 AND NAME HG*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  22 AND NAME HG*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  22 AND NAME HG*  ) (RESID  56 AND NAME HE1  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  23 AND NAME HN   ) (RESID  23 AND NAME HA   )  0.00 0.00 3.00  
ASSIGN (RESID  23 AND NAME HN   ) (RESID  23 AND NAME HB*  )  0.00 0.00 2.80  !derived from H23
ASSIGN (RESID  23 AND NAME HN   ) (RESID  23 AND NAME HB*  )  0.00 0.00 2.90  !derived from H33
ASSIGN (RESID  23 AND NAME HN   ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  23 AND NAME HN   ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  23 AND NAME HN   ) (RESID  26 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  23 AND NAME HA   ) (RESID  23 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  23 AND NAME HA   ) (RESID  23 AND NAME HB*  )  0.00 0.00 3.40  !derived from H33
ASSIGN (RESID  23 AND NAME HA   ) (RESID  23 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID  23 AND NAME HA   ) (RESID  24 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  23 AND NAME HA   ) (RESID  25 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  23 AND NAME HB*  ) (RESID  24 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  23 AND NAME HB*  ) (RESID  24 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  23 AND NAME HB*  ) (RESID  24 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  23 AND NAME HB*  ) (RESID  24 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  24 AND NAME HN   ) (RESID  24 AND NAME HA   )  0.00 0.00 2.90  
ASSIGN (RESID  24 AND NAME HN   ) (RESID  24 AND NAME HB*  )  0.00 0.00 2.80  !derived from H23
ASSIGN (RESID  24 AND NAME HN   ) (RESID  24 AND NAME HB*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID  24 AND NAME HN   ) (RESID  24 AND NAME HG   )  0.00 0.00 3.20  
ASSIGN (RESID  24 AND NAME HN   ) (RESID  24 AND NAME HD*  )  0.00 0.00 4.30  !derived from Q1
ASSIGN (RESID  24 AND NAME HN   ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.40  !derived from Q2
ASSIGN (RESID  24 AND NAME HN   ) (RESID  25 AND NAME HN   )  0.00 0.00 3.20  
ASSIGN (RESID  24 AND NAME HN   ) (RESID  26 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  24 AND NAME HN   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HN   ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HA   ) (RESID  24 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  24 AND NAME HA   ) (RESID  24 AND NAME HB*  )  0.00 0.00 3.60  !derived from H33
ASSIGN (RESID  24 AND NAME HA   ) (RESID  24 AND NAME HG   )  0.00 0.00 4.50  
ASSIGN (RESID  24 AND NAME HA   ) (RESID  24 AND NAME HD*  )  0.00 0.00 4.00  !derived from Q1
ASSIGN (RESID  24 AND NAME HA   ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.10  !derived from Q2
ASSIGN (RESID  24 AND NAME HA   ) (RESID  25 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  24 AND NAME HA   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HA   ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HA   ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  24 AND NAME HG   )  0.00 0.00 3.50  
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q2
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  25 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  24 AND NAME HB*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.30  !derived from H23
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  24 AND NAME HG   )  0.00 0.00 4.00  
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 4.80  !derived from Q1
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  24 AND NAME HD*  )  0.00 0.00 5.00  !derived from Q2
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  25 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  34 AND NAME HD1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  34 AND NAME HD2* )  0.00 0.00 5.90  !derived from H33
ASSIGN (RESID  24 AND NAME HB*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  24 AND NAME HB*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID  24 AND NAME HG   ) (RESID  24 AND NAME HD*  )  0.00 0.00 3.00  !derived from Q1
ASSIGN (RESID  24 AND NAME HG   ) (RESID  24 AND NAME HD*  )  0.00 0.00 5.20  !derived from Q2
ASSIGN (RESID  24 AND NAME HG   ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HG   ) (RESID 105 AND NAME HG2* )  0.00 0.00 5.60  
ASSIGN (RESID  24 AND NAME HD*  ) (RESID  25 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HD*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.10  !derived from Q1
ASSIGN (RESID  24 AND NAME HD*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.90  !derived from Q1
ASSIGN (RESID  24 AND NAME HD*  ) (RESID 106 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  24 AND NAME HD*  ) (RESID 106 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  24 AND NAME HD*  ) (RESID  25 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  24 AND NAME HD*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 5.60  !derived from Q2
ASSIGN (RESID  24 AND NAME HD*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 5.80  !derived from Q2
ASSIGN (RESID  24 AND NAME HD*  ) (RESID 106 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HB*  )  0.00 0.00 2.80  !derived from H23
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HG   )  0.00 0.00 2.80  
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HD1* )  0.00 0.00 4.80  
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HD2* )  0.00 0.00 4.90  
ASSIGN (RESID  25 AND NAME HN   ) (RESID  26 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  25 AND NAME HN   ) (RESID  26 AND NAME HB*  )  0.00 0.00 4.30  !derived from H23
ASSIGN (RESID  25 AND NAME HN   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  25 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  25 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q2
ASSIGN (RESID  25 AND NAME HA   ) (RESID  25 AND NAME HB*  )  0.00 0.00 4.40  !derived from H23
ASSIGN (RESID  25 AND NAME HA   ) (RESID  25 AND NAME HB*  )  0.00 0.00 3.40  !derived from H33
ASSIGN (RESID  25 AND NAME HA   ) (RESID  25 AND NAME HG   )  0.00 0.00 5.20  
ASSIGN (RESID  25 AND NAME HA   ) (RESID  25 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HA   ) (RESID  25 AND NAME HD2* )  0.00 0.00 4.60  
ASSIGN (RESID  25 AND NAME HA   ) (RESID  26 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  25 AND NAME HA   ) (RESID  28 AND NAME HG*  )  0.00 0.00 6.00  !derived from Q
ASSIGN (RESID  25 AND NAME HA   ) (RESID  28 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  25 AND NAME HA   ) (RESID  28 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  25 AND NAME HA   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  25 AND NAME HD1* )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  25 AND NAME HD2* )  0.00 0.00 3.00  !derived from H23
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  34 AND NAME HD2* )  0.00 0.00 5.70  !derived from H23
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.30  !derived from Q
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 4.60  !derived from Q1
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.00  !derived from Q2
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  25 AND NAME HG   )  0.00 0.00 3.90  
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  25 AND NAME HD1* )  0.00 0.00 6.10  !derived from H33
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  25 AND NAME HD2* )  0.00 0.00 4.80  !derived from H33
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  26 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.70  !derived from Q
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 4.70  !derived from Q1
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  25 AND NAME HG   ) (RESID  25 AND NAME HD1* )  0.00 0.00 3.30  
ASSIGN (RESID  25 AND NAME HG   ) (RESID  25 AND NAME HD2* )  0.00 0.00 3.00  
ASSIGN (RESID  25 AND NAME HG   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.30  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  26 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  33 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  34 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  34 AND NAME HG   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  34 AND NAME HD1* )  0.00 0.00 7.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.20  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  47 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.30  !derived from H23
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.30  !derived from H33
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  48 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  48 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  49 AND NAME HG*  )  0.00 0.00 8.10  !derived from Q
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  54 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.80  !derived from Q2
ASSIGN (RESID  25 AND NAME HD1* ) (RESID  55 AND NAME HG*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  25 AND NAME HD1* ) (RESID 105 AND NAME HG1* )  0.00 0.00 7.50  !derived from H33
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  26 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  28 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  28 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  28 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  28 AND NAME HE*  )  0.00 0.00 6.80  !derived from Q
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  32 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  32 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  32 AND NAME HG2* )  0.00 0.00 5.40  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  32 AND NAME HG1  )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  33 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  34 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  34 AND NAME HG   )  0.00 0.00 6.30  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  34 AND NAME HD1* )  0.00 0.00 7.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  34 AND NAME HD2* )  0.00 0.00 5.80  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  48 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  48 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  49 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  49 AND NAME HG*  )  0.00 0.00 8.10  !derived from Q
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.90  !derived from Q1
ASSIGN (RESID  25 AND NAME HD2* ) (RESID  55 AND NAME HD*  )  0.00 0.00 5.30  !derived from H23
ASSIGN (RESID  25 AND NAME HD2* ) (RESID 105 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  25 AND NAME HD2* ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.70  
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HB*  )  0.00 0.00 2.60  !derived from H23
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HB*  )  0.00 0.00 2.90  !derived from H33
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HG*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HG*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  26 AND NAME HN   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  26 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  26 AND NAME HA   ) (RESID  26 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  26 AND NAME HA   ) (RESID  26 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  26 AND NAME HA   ) (RESID  26 AND NAME HG*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID  26 AND NAME HA   ) (RESID  26 AND NAME HG*  )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID  26 AND NAME HA   ) (RESID  26 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  26 AND NAME HA   ) (RESID  27 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  26 AND NAME HA   ) (RESID  28 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  26 AND NAME HA   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  26 AND NAME HB*  ) (RESID  26 AND NAME HG*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  26 AND NAME HB*  ) (RESID  26 AND NAME HG*  )  0.00 0.00 4.40  !derived from H33
ASSIGN (RESID  26 AND NAME HB*  ) (RESID  26 AND NAME HD*  )  0.00 0.00 5.10  !derived from Q
ASSIGN (RESID  26 AND NAME HB*  ) (RESID  27 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  26 AND NAME HB*  ) (RESID  26 AND NAME HG*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  26 AND NAME HB*  ) (RESID  26 AND NAME HD*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  26 AND NAME HG*  ) (RESID  26 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q
ASSIGN (RESID  26 AND NAME HG*  ) (RESID  27 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID  26 AND NAME HG*  ) (RESID  26 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q
ASSIGN (RESID  26 AND NAME HG*  ) (RESID  27 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  27 AND NAME HN   ) (RESID  27 AND NAME HA*  )  0.00 0.00 3.60  !derived from H2
ASSIGN (RESID  27 AND NAME HN   ) (RESID  27 AND NAME HA*  )  0.00 0.00 3.30  !derived from H2
ASSIGN (RESID  27 AND NAME HN   ) (RESID  28 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  27 AND NAME HA*  ) (RESID  28 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  27 AND NAME HA*  ) (RESID  28 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  28 AND NAME HN   ) (RESID  28 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  28 AND NAME HN   ) (RESID  28 AND NAME HB*  )  0.00 0.00 3.70  !derived from H3
ASSIGN (RESID  28 AND NAME HN   ) (RESID  28 AND NAME HG*  )  0.00 0.00 4.40  !derived from Q
ASSIGN (RESID  28 AND NAME HN   ) (RESID  28 AND NAME HD*  )  0.00 0.00 5.50  !derived from Q
ASSIGN (RESID  28 AND NAME HN   ) (RESID  28 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  28 AND NAME HN   ) (RESID  29 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  28 AND NAME HN   ) (RESID  32 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  28 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.30  !derived from Q
ASSIGN (RESID  28 AND NAME HA   ) (RESID  28 AND NAME HB*  )  0.00 0.00 4.80  !derived from H3
ASSIGN (RESID  28 AND NAME HA   ) (RESID  28 AND NAME HG*  )  0.00 0.00 5.40  !derived from Q
ASSIGN (RESID  28 AND NAME HA   ) (RESID  28 AND NAME HD*  )  0.00 0.00 5.20  !derived from Q
ASSIGN (RESID  28 AND NAME HA   ) (RESID  28 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  28 AND NAME HA   ) (RESID  29 AND NAME HN   )  0.00 0.00 2.90  
ASSIGN (RESID  28 AND NAME HA   ) (RESID  32 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  28 AND NAME HG*  )  0.00 0.00 7.00  !derived from Q
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  28 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  28 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  29 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  32 AND NAME HN   )  0.00 0.00 6.10  
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  32 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  32 AND NAME HG2* )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  32 AND NAME HG1  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  28 AND NAME HB*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  28 AND NAME HG*  ) (RESID  28 AND NAME HD*  )  0.00 0.00 7.00  !derived from Q
ASSIGN (RESID  28 AND NAME HG*  ) (RESID  28 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  28 AND NAME HG*  ) (RESID  32 AND NAME HN   )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  28 AND NAME HG*  ) (RESID  32 AND NAME HB   )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  28 AND NAME HG*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  28 AND NAME HD*  ) (RESID  28 AND NAME HE*  )  0.00 0.00 6.30  !derived from Q
ASSIGN (RESID  28 AND NAME HD*  ) (RESID  32 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  28 AND NAME HD*  ) (RESID  32 AND NAME HG2* )  0.00 0.00 6.90  !derived from Q
ASSIGN (RESID  28 AND NAME HD*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  28 AND NAME HD*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  28 AND NAME HE*  ) (RESID  32 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  28 AND NAME HE*  ) (RESID  32 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  28 AND NAME HE*  ) (RESID  34 AND NAME HD2* )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  28 AND NAME HE*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  28 AND NAME HE*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  28 AND NAME HE*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HB*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HB*  )  0.00 0.00 5.10  !derived from H3
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HG*  )  0.00 0.00 4.80  !derived from Q
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  29 AND NAME HN   ) (RESID  30 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  29 AND NAME HN   ) (RESID  32 AND NAME HG1  )  0.00 0.00 5.30  
ASSIGN (RESID  29 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HB*  )  0.00 0.00 5.10  !derived from H3
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HG*  )  0.00 0.00 5.50  !derived from Q
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  29 AND NAME HA   ) (RESID  30 AND NAME HN   )  0.00 0.00 2.90  
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  29 AND NAME HG*  )  0.00 0.00 5.20  !derived from Q
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  29 AND NAME HD*  )  0.00 0.00 4.90  !derived from H23
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  29 AND NAME HD*  )  0.00 0.00 4.90  !derived from H33
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  30 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  32 AND NAME HG1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  29 AND NAME HB*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  29 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  29 AND NAME HD*  )  0.00 0.00 6.30  !derived from H23
ASSIGN (RESID  29 AND NAME HB*  ) (RESID  29 AND NAME HD*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  29 AND NAME HG*  ) (RESID  29 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  29 AND NAME HG*  ) (RESID  29 AND NAME HD*  )  0.00 0.00 5.30  !derived from H33
ASSIGN (RESID  29 AND NAME HG*  ) (RESID  30 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  29 AND NAME HG*  ) (RESID  32 AND NAME HG1  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  29 AND NAME HG*  ) (RESID 103 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  29 AND NAME HG*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  29 AND NAME HD*  ) (RESID 103 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  29 AND NAME HD*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  29 AND NAME HD*  ) (RESID  32 AND NAME HG1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  29 AND NAME HD*  ) (RESID 103 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  29 AND NAME HD*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  30 AND NAME HN   ) (RESID  30 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  30 AND NAME HN   ) (RESID  30 AND NAME HB*  )  0.00 0.00 3.50  !derived from H3
ASSIGN (RESID  30 AND NAME HN   ) (RESID  31 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  30 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  30 AND NAME HA   ) (RESID  30 AND NAME HB*  )  0.00 0.00 4.40  !derived from H3
ASSIGN (RESID  30 AND NAME HA   ) (RESID  31 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  30 AND NAME HA   ) (RESID  32 AND NAME HB   )  0.00 0.00 4.80  
ASSIGN (RESID  30 AND NAME HA   ) (RESID  50 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  30 AND NAME HA   ) (RESID  50 AND NAME HG*  )  0.00 0.00 4.90  !derived from Q2
ASSIGN (RESID  30 AND NAME HB*  ) (RESID  31 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  30 AND NAME HB*  ) (RESID  49 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  30 AND NAME HB*  ) (RESID  50 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  30 AND NAME HB*  ) (RESID  50 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  30 AND NAME HB*  ) (RESID  99 AND NAME HG1* )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  30 AND NAME HB*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  31 AND NAME HN   ) (RESID  31 AND NAME HA*  )  0.00 0.00 3.40  !derived from H2
ASSIGN (RESID  31 AND NAME HN   ) (RESID  31 AND NAME HA*  )  0.00 0.00 3.20  !derived from H2
ASSIGN (RESID  31 AND NAME HN   ) (RESID  32 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  31 AND NAME HN   ) (RESID  32 AND NAME HG1  )  0.00 0.00 5.50  
ASSIGN (RESID  31 AND NAME HN   ) (RESID  48 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  31 AND NAME HN   ) (RESID  49 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  31 AND NAME HN   ) (RESID  49 AND NAME HB   )  0.00 0.00 3.90  
ASSIGN (RESID  31 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  31 AND NAME HN   ) (RESID  50 AND NAME HA   )  0.00 0.00 3.70  
ASSIGN (RESID  31 AND NAME HN   ) (RESID  50 AND NAME HG*  )  0.00 0.00 4.60  !derived from Q1
ASSIGN (RESID  31 AND NAME HN   ) (RESID  50 AND NAME HG*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  31 AND NAME HN   ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  31 AND NAME HN   ) (RESID  99 AND NAME HG2* )  0.00 0.00 5.30  
ASSIGN (RESID  31 AND NAME HN   ) (RESID 102 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  32 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  32 AND NAME HG2* )  0.00 0.00 6.50  !derived from H2
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  99 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  !derived from H2
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 5.80  !derived from H2
ASSIGN (RESID  31 AND NAME HA*  ) (RESID 102 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  31 AND NAME HA*  ) (RESID 102 AND NAME HB*  )  0.00 0.00 5.10  !derived from H3
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  32 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  99 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  !derived from H2
ASSIGN (RESID  31 AND NAME HA*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 5.20  !derived from H2
ASSIGN (RESID  31 AND NAME HA*  ) (RESID 102 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  31 AND NAME HA*  ) (RESID 102 AND NAME HB*  )  0.00 0.00 5.50  !derived from H3
ASSIGN (RESID  31 AND NAME HA*  ) (RESID 103 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HB   )  0.00 0.00 3.00  
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HG2* )  0.00 0.00 5.00  
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HG1  )  0.00 0.00 4.00  
ASSIGN (RESID  32 AND NAME HN   ) (RESID  49 AND NAME HB   )  0.00 0.00 3.70  
ASSIGN (RESID  32 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.10  !derived from Q
ASSIGN (RESID  32 AND NAME HN   ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  32 AND NAME HN   ) (RESID 103 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  32 AND NAME HN   ) (RESID 103 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  32 AND NAME HA   ) (RESID  32 AND NAME HB   )  0.00 0.00 4.40  
ASSIGN (RESID  32 AND NAME HA   ) (RESID  32 AND NAME HG2* )  0.00 0.00 4.50  
ASSIGN (RESID  32 AND NAME HA   ) (RESID  32 AND NAME HG1  )  0.00 0.00 5.50  
ASSIGN (RESID  32 AND NAME HA   ) (RESID 103 AND NAME HA   )  0.00 0.00 4.60  
ASSIGN (RESID  32 AND NAME HA   ) (RESID 103 AND NAME HB*  )  0.00 0.00 4.40  !derived from H23
ASSIGN (RESID  32 AND NAME HA   ) (RESID 103 AND NAME HB*  )  0.00 0.00 4.30  !derived from H33
ASSIGN (RESID  32 AND NAME HA   ) (RESID 103 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  32 AND NAME HA   ) (RESID 104 AND NAME HA   )  0.00 0.00 5.00  
ASSIGN (RESID  32 AND NAME HB   ) (RESID  32 AND NAME HG2* )  0.00 0.00 4.90  
ASSIGN (RESID  32 AND NAME HB   ) (RESID  32 AND NAME HG1  )  0.00 0.00 3.40  
ASSIGN (RESID  32 AND NAME HB   ) (RESID  49 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  32 AND NAME HB   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  32 AND NAME HB   ) (RESID 105 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  32 AND NAME HB   ) (RESID 105 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  32 AND NAME HB   ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  32 AND NAME HG1  )  0.00 0.00 6.10  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  33 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  33 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  33 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  49 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  49 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  49 AND NAME HG*  )  0.00 0.00 8.00  !derived from Q
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 103 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 103 AND NAME HB*  )  0.00 0.00 6.20  !derived from H23
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 103 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 103 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 105 AND NAME HN   )  0.00 0.00 6.10  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 105 AND NAME HA   )  0.00 0.00 5.00  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 105 AND NAME HB   )  0.00 0.00 5.30  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 105 AND NAME HG1* )  0.00 0.00 7.50  
ASSIGN (RESID  32 AND NAME HG2* ) (RESID 105 AND NAME HG2* )  0.00 0.00 4.90  
ASSIGN (RESID  32 AND NAME HG1  ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  33 AND NAME HN   ) (RESID  33 AND NAME HA   )  0.00 0.00 2.90  
ASSIGN (RESID  33 AND NAME HN   ) (RESID  33 AND NAME HB*  )  0.00 0.00 3.70  !derived from H23
ASSIGN (RESID  33 AND NAME HN   ) (RESID  33 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  33 AND NAME HN   ) (RESID  33 AND NAME HD1  )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HN   ) (RESID  34 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID  33 AND NAME HN   ) (RESID  48 AND NAME HG1* )  0.00 0.00 6.40  
ASSIGN (RESID  33 AND NAME HN   ) (RESID 103 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  33 AND NAME HN   ) (RESID 105 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  33 AND NAME HN   ) (RESID 105 AND NAME HA   )  0.00 0.00 4.60  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  33 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  33 AND NAME HA   ) (RESID  33 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  33 AND NAME HA   ) (RESID  33 AND NAME HD1  )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  33 AND NAME HD2  )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  34 AND NAME HN   )  0.00 0.00 3.20  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  34 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  34 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  48 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  48 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  48 AND NAME HG1* )  0.00 0.00 5.70  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  48 AND NAME HG2* )  0.00 0.00 6.30  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  49 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  33 AND NAME HA   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  33 AND NAME HA   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  33 AND NAME HD1  )  0.00 0.00 4.70  !derived from H23
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  33 AND NAME HD2  )  0.00 0.00 5.00  !derived from H23
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  34 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HB   )  0.00 0.00 5.30  
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HG1* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HG2* )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  33 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q2
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  33 AND NAME HD1  )  0.00 0.00 4.40  !derived from H33
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  33 AND NAME HD2  )  0.00 0.00 5.20  !derived from H33
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  34 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HB   )  0.00 0.00 5.00  
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HG1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  48 AND NAME HG2* )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  33 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  33 AND NAME HD1  ) (RESID  33 AND NAME HE1  )  0.00 0.00 4.20  !derived from Q2
ASSIGN (RESID  33 AND NAME HD1  ) (RESID  33 AND NAME HZ   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HD1  ) (RESID  34 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  33 AND NAME HD1  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  33 AND NAME HD1  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  33 AND NAME HD1  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  33 AND NAME HZ   )  0.00 0.00 3.70  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  33 AND NAME HD2  )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  35 AND NAME HG2* )  0.00 0.00 4.60  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  82 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  82 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  82 AND NAME HG1* )  0.00 0.00 4.70  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  82 AND NAME HG2* )  0.00 0.00 5.90  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  86 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  33 AND NAME HE1  ) (RESID  86 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HE1  ) (RESID 101 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HE1  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  33 AND NAME HE1  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  33 AND NAME HE1  ) (RESID 104 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HE1  ) (RESID 104 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  33 AND NAME HZ   ) (RESID  33 AND NAME HE2  )  0.00 0.00 2.20  !derived from H3
ASSIGN (RESID  33 AND NAME HZ   ) (RESID  33 AND NAME HD2  )  0.00 0.00 4.50  !derived from H3
ASSIGN (RESID  33 AND NAME HZ   ) (RESID  35 AND NAME HG2* )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  33 AND NAME HZ   ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  33 AND NAME HZ   ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HZ   ) (RESID  82 AND NAME HG1* )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HZ   ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  33 AND NAME HZ   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  33 AND NAME HZ   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  33 AND NAME HZ   ) (RESID 104 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HE2  ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  33 AND NAME HE2  ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HE2  ) (RESID  57 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  33 AND NAME HE2  ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  33 AND NAME HE2  ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  33 AND NAME HE2  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  33 AND NAME HE2  ) (RESID  85 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  33 AND NAME HE2  ) (RESID 101 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HE2  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  33 AND NAME HD2  ) (RESID  57 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  33 AND NAME HD2  ) (RESID 101 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  33 AND NAME HD2  ) (RESID 101 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  33 AND NAME HD2  ) (RESID 101 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  33 AND NAME HD2  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HA   )  0.00 0.00 4.30  
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HB*  )  0.00 0.00 3.60  !derived from H33
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HG   )  0.00 0.00 4.00  
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HD1* )  0.00 0.00 5.50  
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HD2* )  0.00 0.00 5.80  
ASSIGN (RESID  34 AND NAME HN   ) (RESID  35 AND NAME HG2* )  0.00 0.00 5.60  
ASSIGN (RESID  34 AND NAME HN   ) (RESID  47 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  34 AND NAME HN   ) (RESID  48 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  34 AND NAME HN   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  34 AND NAME HN   ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HN   ) (RESID 105 AND NAME HG2* )  0.00 0.00 5.30  
ASSIGN (RESID  34 AND NAME HA   ) (RESID  34 AND NAME HB*  )  0.00 0.00 4.50  !derived from H23
ASSIGN (RESID  34 AND NAME HA   ) (RESID  34 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  34 AND NAME HA   ) (RESID  34 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  34 AND NAME HA   ) (RESID  34 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HA   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HA   ) (RESID  35 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  34 AND NAME HA   ) (RESID  35 AND NAME HB   )  0.00 0.00 5.00  
ASSIGN (RESID  34 AND NAME HA   ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  34 AND NAME HD1* )  0.00 0.00 6.20  !derived from H23
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  35 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  34 AND NAME HB*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  34 AND NAME HB*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  34 AND NAME HG   )  0.00 0.00 4.90  
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  34 AND NAME HD1* )  0.00 0.00 5.70  !derived from H33
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  34 AND NAME HD2* )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  35 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  34 AND NAME HB*  ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  34 AND NAME HB*  ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  34 AND NAME HG   ) (RESID  34 AND NAME HD1* )  0.00 0.00 5.40  
ASSIGN (RESID  34 AND NAME HG   ) (RESID  34 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HG   ) (RESID  35 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  34 AND NAME HG   ) (RESID  47 AND NAME HB*  )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID  34 AND NAME HG   ) (RESID  47 AND NAME HB*  )  0.00 0.00 5.00  !derived from H33
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  35 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  35 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  36 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  36 AND NAME HG*  )  0.00 0.00 4.80  !derived from H23
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  36 AND NAME HG*  )  0.00 0.00 6.10  !derived from H33
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  36 AND NAME HD*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  36 AND NAME HD*  )  0.00 0.00 6.30  !derived from H33
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  47 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  47 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  34 AND NAME HD1* ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.00  !derived from H33
ASSIGN (RESID  34 AND NAME HD1* ) (RESID 105 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD1* ) (RESID 105 AND NAME HG1* )  0.00 0.00 7.50  
ASSIGN (RESID  34 AND NAME HD2* ) (RESID  35 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD2* ) (RESID  36 AND NAME HD*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  34 AND NAME HD2* ) (RESID  47 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD2* ) (RESID  47 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD2* ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  34 AND NAME HD2* ) (RESID  47 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  34 AND NAME HD2* ) (RESID 105 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD2* ) (RESID 105 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD2* ) (RESID 105 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  34 AND NAME HD2* ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.40  
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HB   )  0.00 0.00 3.70  
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HG1* )  0.00 0.00 4.60  
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HG2* )  0.00 0.00 4.00  
ASSIGN (RESID  35 AND NAME HN   ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  35 AND NAME HA   ) (RESID  35 AND NAME HB   )  0.00 0.00 4.00  
ASSIGN (RESID  35 AND NAME HA   ) (RESID  35 AND NAME HG1* )  0.00 0.00 4.80  
ASSIGN (RESID  35 AND NAME HA   ) (RESID  35 AND NAME HG2* )  0.00 0.00 3.90  
ASSIGN (RESID  35 AND NAME HA   ) (RESID  36 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  35 AND NAME HA   ) (RESID  46 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  35 AND NAME HA   ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  35 AND NAME HA   ) (RESID  46 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  35 AND NAME HA   ) (RESID  47 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  35 AND NAME HB   ) (RESID  35 AND NAME HG1* )  0.00 0.00 3.60  
ASSIGN (RESID  35 AND NAME HB   ) (RESID  35 AND NAME HG2* )  0.00 0.00 3.60  
ASSIGN (RESID  35 AND NAME HB   ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  36 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  36 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  44 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  44 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  46 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  46 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  46 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  59 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  59 AND NAME HD*  )  0.00 0.00 5.90  !derived from Q1
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q1
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.30  !derived from Q2
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  82 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  35 AND NAME HG1* ) (RESID  82 AND NAME HG2* )  0.00 0.00 7.20  
ASSIGN (RESID  35 AND NAME HG1* ) (RESID 101 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  36 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  44 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  46 AND NAME HA   )  0.00 0.00 5.00  
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  46 AND NAME HB*  )  0.00 0.00 6.20  !derived from H23
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  46 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  47 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  59 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q1
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  78 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  78 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  81 AND NAME HD*  )  0.00 0.00 7.00  !derived from Q2
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  82 AND NAME HB   )  0.00 0.00 5.40  
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  82 AND NAME HG1* )  0.00 0.00 5.20  
ASSIGN (RESID  35 AND NAME HG2* ) (RESID  82 AND NAME HG2* )  0.00 0.00 5.10  
ASSIGN (RESID  35 AND NAME HG2* ) (RESID 104 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HB*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HG*  )  0.00 0.00 4.40  !derived from H23
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HG*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  36 AND NAME HN   ) (RESID  37 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID  36 AND NAME HN   ) (RESID  45 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  36 AND NAME HN   ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  36 AND NAME HN   ) (RESID  46 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID  36 AND NAME HN   ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HB*  )  0.00 0.00 3.70  !derived from H23
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HG*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HG*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  36 AND NAME HA   ) (RESID  37 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  36 AND NAME HA   ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  36 AND NAME HB*  ) (RESID  36 AND NAME HG*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  36 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  36 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  36 AND NAME HB*  ) (RESID  37 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  36 AND NAME HB*  ) (RESID  36 AND NAME HG*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  36 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  36 AND NAME HB*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.00  !derived from H33
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  36 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  37 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  46 AND NAME HA   )  0.00 0.00 5.10  
ASSIGN (RESID  36 AND NAME HD*  ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HB*  )  0.00 0.00 2.90  !derived from H23
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HB*  )  0.00 0.00 3.00  !derived from H33
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  37 AND NAME HN   ) (RESID  39 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  37 AND NAME HN   ) (RESID  39 AND NAME HA   )  0.00 0.00 4.20  
ASSIGN (RESID  37 AND NAME HN   ) (RESID  39 AND NAME HB*  )  0.00 0.00 6.20  !derived from H3
ASSIGN (RESID  37 AND NAME HA   ) (RESID  37 AND NAME HB*  )  0.00 0.00 2.70  !derived from H23
ASSIGN (RESID  37 AND NAME HA   ) (RESID  37 AND NAME HB*  )  0.00 0.00 2.60  !derived from H33
ASSIGN (RESID  37 AND NAME HA   ) (RESID  37 AND NAME HG*  )  0.00 0.00 5.00  !derived from Q
ASSIGN (RESID  37 AND NAME HA   ) (RESID  38 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  37 AND NAME HA   ) (RESID  38 AND NAME HB*  )  0.00 0.00 5.40  !derived from H33
ASSIGN (RESID  37 AND NAME HA   ) (RESID  44 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID  37 AND NAME HA   ) (RESID  44 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  37 AND NAME HA   ) (RESID  44 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  37 AND NAME HA   ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  37 AND NAME HG*  )  0.00 0.00 3.20  !derived from Q
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  38 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  39 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  39 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  42 AND NAME HA*  )  0.00 0.00 5.50  !derived from H2
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  44 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  37 AND NAME HG*  )  0.00 0.00 4.60  !derived from Q
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  38 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  39 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  39 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  42 AND NAME HA*  )  0.00 0.00 5.50  !derived from H2
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  44 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  37 AND NAME HG*  ) (RESID  38 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  37 AND NAME HG*  ) (RESID  42 AND NAME HA*  )  0.00 0.00 6.50  !derived from H2
ASSIGN (RESID  37 AND NAME HG*  ) (RESID  44 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  37 AND NAME HG*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  38 AND NAME HN   ) (RESID  38 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  38 AND NAME HN   ) (RESID  38 AND NAME HB*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  38 AND NAME HN   ) (RESID  38 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  38 AND NAME HN   ) (RESID  43 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  38 AND NAME HN   ) (RESID  44 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID  38 AND NAME HB*  ) (RESID  43 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  38 AND NAME HB*  ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  38 AND NAME HB*  ) (RESID  39 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  38 AND NAME HB*  ) (RESID  43 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  38 AND NAME HB*  ) (RESID  44 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  38 AND NAME HB*  ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  39 AND NAME HN   ) (RESID  39 AND NAME HA   )  0.00 0.00 2.80  
ASSIGN (RESID  39 AND NAME HN   ) (RESID  39 AND NAME HB*  )  0.00 0.00 4.30  !derived from H3
ASSIGN (RESID  39 AND NAME HA   ) (RESID  39 AND NAME HB*  )  0.00 0.00 4.60  !derived from H3
ASSIGN (RESID  40 AND NAME HN   ) (RESID  40 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  40 AND NAME HA   ) (RESID  40 AND NAME HB*  )  0.00 0.00 2.90  !derived from H23
ASSIGN (RESID  40 AND NAME HA   ) (RESID  40 AND NAME HB*  )  0.00 0.00 3.60  !derived from H33
ASSIGN (RESID  40 AND NAME HA   ) (RESID  40 AND NAME HG*  )  0.00 0.00 5.20  !derived from Q
ASSIGN (RESID  40 AND NAME HA   ) (RESID  40 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  40 AND NAME HA   ) (RESID  41 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  40 AND NAME HB*  ) (RESID  40 AND NAME HG*  )  0.00 0.00 4.40  !derived from Q
ASSIGN (RESID  40 AND NAME HB*  ) (RESID  40 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  40 AND NAME HB*  ) (RESID  40 AND NAME HG*  )  0.00 0.00 4.50  !derived from Q
ASSIGN (RESID  40 AND NAME HB*  ) (RESID  40 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  40 AND NAME HG*  ) (RESID  40 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q
ASSIGN (RESID  41 AND NAME HN   ) (RESID  41 AND NAME HA   )  0.00 0.00 4.90  
ASSIGN (RESID  41 AND NAME HN   ) (RESID  41 AND NAME HB*  )  0.00 0.00 4.80  !derived from H3
ASSIGN (RESID  41 AND NAME HN   ) (RESID  41 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  41 AND NAME HA   ) (RESID  41 AND NAME HB*  )  0.00 0.00 4.60  !derived from H3
ASSIGN (RESID  41 AND NAME HA   ) (RESID  41 AND NAME HG*  )  0.00 0.00 5.90  !derived from Q
ASSIGN (RESID  41 AND NAME HA   ) (RESID  42 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  41 AND NAME HA   ) (RESID  42 AND NAME HA*  )  0.00 0.00 4.30  !derived from H2
ASSIGN (RESID  41 AND NAME HA   ) (RESID  43 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  41 AND NAME HB*  ) (RESID  41 AND NAME HG*  )  0.00 0.00 6.00  !derived from Q
ASSIGN (RESID  41 AND NAME HB*  ) (RESID  42 AND NAME HN   )  0.00 0.00 6.40  
ASSIGN (RESID  41 AND NAME HB*  ) (RESID  42 AND NAME HA*  )  0.00 0.00 6.30  !derived from H2
ASSIGN (RESID  41 AND NAME HB*  ) (RESID  43 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  41 AND NAME HG*  ) (RESID  41 AND NAME HE2* )  0.00 0.00 6.50  !derived from H13
ASSIGN (RESID  41 AND NAME HG*  ) (RESID  42 AND NAME HA*  )  0.00 0.00 6.50  !derived from H2
ASSIGN (RESID  42 AND NAME HN   ) (RESID  42 AND NAME HA*  )  0.00 0.00 3.00  !derived from H2
ASSIGN (RESID  42 AND NAME HN   ) (RESID  42 AND NAME HA*  )  0.00 0.00 3.60  !derived from H2
ASSIGN (RESID  42 AND NAME HN   ) (RESID  43 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  42 AND NAME HA*  ) (RESID  43 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  42 AND NAME HA*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  42 AND NAME HA*  ) (RESID  43 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  42 AND NAME HA*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HA   )  0.00 0.00 3.00  
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HB*  )  0.00 0.00 3.90  !derived from H3
ASSIGN (RESID  43 AND NAME HA   ) (RESID  43 AND NAME HB*  )  0.00 0.00 4.50  !derived from H3
ASSIGN (RESID  43 AND NAME HA   ) (RESID  44 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  43 AND NAME HB*  ) (RESID  44 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  43 AND NAME HB*  ) (RESID  58 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  44 AND NAME HN   ) (RESID  44 AND NAME HA   )  0.00 0.00 4.00  
ASSIGN (RESID  44 AND NAME HN   ) (RESID  44 AND NAME HB*  )  0.00 0.00 3.00  !derived from H23
ASSIGN (RESID  44 AND NAME HN   ) (RESID  44 AND NAME HB*  )  0.00 0.00 3.50  !derived from H33
ASSIGN (RESID  44 AND NAME HN   ) (RESID  44 AND NAME HD*  )  0.00 0.00 6.70  !derived from Q
ASSIGN (RESID  44 AND NAME HN   ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  44 AND NAME HN   ) (RESID  58 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  44 AND NAME HN   ) (RESID  59 AND NAME HB   )  0.00 0.00 5.30  
ASSIGN (RESID  44 AND NAME HA   ) (RESID  44 AND NAME HB*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID  44 AND NAME HA   ) (RESID  44 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  44 AND NAME HA   ) (RESID  44 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q
ASSIGN (RESID  44 AND NAME HA   ) (RESID  44 AND NAME HE*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  44 AND NAME HA   ) (RESID  45 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  44 AND NAME HA   ) (RESID  45 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  44 AND NAME HA   ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  44 AND NAME HD*  )  0.00 0.00 7.30  !derived from Q
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  45 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  59 AND NAME HB   )  0.00 0.00 5.30  
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  44 AND NAME HD*  )  0.00 0.00 7.30  !derived from Q
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  45 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  58 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  59 AND NAME HB   )  0.00 0.00 4.20  
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  59 AND NAME HG*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q1
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  61 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  61 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  44 AND NAME HD*  ) (RESID  44 AND NAME HE*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  44 AND NAME HD*  ) (RESID  59 AND NAME HB   )  0.00 0.00 7.50  
ASSIGN (RESID  44 AND NAME HD*  ) (RESID  59 AND NAME HG*  )  0.00 0.00 8.50  !derived from Q2
ASSIGN (RESID  44 AND NAME HD*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q1
ASSIGN (RESID  44 AND NAME HD*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q1
ASSIGN (RESID  44 AND NAME HD*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q2
ASSIGN (RESID  44 AND NAME HE*  ) (RESID  45 AND NAME HB*  )  0.00 0.00 8.50  !derived from H3
ASSIGN (RESID  44 AND NAME HE*  ) (RESID  66 AND NAME HE*  )  0.00 0.00 9.50  !derived from Q
ASSIGN (RESID  44 AND NAME HE*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q1
ASSIGN (RESID  45 AND NAME HN   ) (RESID  45 AND NAME HA   )  0.00 0.00 3.70  
ASSIGN (RESID  45 AND NAME HN   ) (RESID  45 AND NAME HB*  )  0.00 0.00 3.80  !derived from H3
ASSIGN (RESID  45 AND NAME HN   ) (RESID  59 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  45 AND NAME HN   ) (RESID  59 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  45 AND NAME HN   ) (RESID  59 AND NAME HD*  )  0.00 0.00 5.70  !derived from Q1
ASSIGN (RESID  45 AND NAME HA   ) (RESID  45 AND NAME HB*  )  0.00 0.00 4.60  !derived from H3
ASSIGN (RESID  45 AND NAME HA   ) (RESID  46 AND NAME HN   )  0.00 0.00 2.70  
ASSIGN (RESID  45 AND NAME HA   ) (RESID  58 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  45 AND NAME HA   ) (RESID  58 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  45 AND NAME HA   ) (RESID  58 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  45 AND NAME HA   ) (RESID  59 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  45 AND NAME HA   ) (RESID  59 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  45 AND NAME HA   ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  56 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  57 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  58 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  58 AND NAME HA   )  0.00 0.00 5.30  
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  46 AND NAME HN   ) (RESID  46 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  46 AND NAME HN   ) (RESID  46 AND NAME HB*  )  0.00 0.00 2.80  !derived from H23
ASSIGN (RESID  46 AND NAME HN   ) (RESID  46 AND NAME HB*  )  0.00 0.00 3.00  !derived from H33
ASSIGN (RESID  46 AND NAME HN   ) (RESID  47 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  46 AND NAME HN   ) (RESID  58 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  46 AND NAME HN   ) (RESID  58 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  46 AND NAME HN   ) (RESID  59 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q1
ASSIGN (RESID  46 AND NAME HA   ) (RESID  46 AND NAME HB*  )  0.00 0.00 4.30  !derived from H23
ASSIGN (RESID  46 AND NAME HA   ) (RESID  46 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  46 AND NAME HA   ) (RESID  47 AND NAME HN   )  0.00 0.00 2.90  
ASSIGN (RESID  46 AND NAME HA   ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  46 AND NAME HB*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 5.40  !derived from Q1
ASSIGN (RESID  46 AND NAME HB*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 5.30  !derived from Q1
ASSIGN (RESID  46 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  47 AND NAME HN   ) (RESID  47 AND NAME HA   )  0.00 0.00 4.40  
ASSIGN (RESID  47 AND NAME HN   ) (RESID  47 AND NAME HB*  )  0.00 0.00 4.40  !derived from H23
ASSIGN (RESID  47 AND NAME HN   ) (RESID  47 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  47 AND NAME HA   ) (RESID  47 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  47 AND NAME HA   ) (RESID  47 AND NAME HB*  )  0.00 0.00 4.30  !derived from H33
ASSIGN (RESID  47 AND NAME HA   ) (RESID  48 AND NAME HN   )  0.00 0.00 2.90  
ASSIGN (RESID  47 AND NAME HA   ) (RESID  48 AND NAME HG1* )  0.00 0.00 6.20  
ASSIGN (RESID  47 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  47 AND NAME HA   ) (RESID  57 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  47 AND NAME HB*  ) (RESID  48 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  47 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q2
ASSIGN (RESID  47 AND NAME HB*  ) (RESID  48 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  47 AND NAME HB*  ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  48 AND NAME HN   ) (RESID  48 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  48 AND NAME HN   ) (RESID  48 AND NAME HB   )  0.00 0.00 3.90  
ASSIGN (RESID  48 AND NAME HN   ) (RESID  48 AND NAME HG1* )  0.00 0.00 3.70  
ASSIGN (RESID  48 AND NAME HN   ) (RESID  48 AND NAME HG2* )  0.00 0.00 5.80  
ASSIGN (RESID  48 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  48 AND NAME HN   ) (RESID  56 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID  48 AND NAME HA   ) (RESID  48 AND NAME HB   )  0.00 0.00 3.80  
ASSIGN (RESID  48 AND NAME HA   ) (RESID  48 AND NAME HG1* )  0.00 0.00 5.80  
ASSIGN (RESID  48 AND NAME HA   ) (RESID  48 AND NAME HG2* )  0.00 0.00 5.20  
ASSIGN (RESID  48 AND NAME HA   ) (RESID  49 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  48 AND NAME HA   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  48 AND NAME HA   ) (RESID  50 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  48 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  48 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  48 AND NAME HA   ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HB   ) (RESID  48 AND NAME HG1* )  0.00 0.00 4.60  
ASSIGN (RESID  48 AND NAME HB   ) (RESID  48 AND NAME HG2* )  0.00 0.00 3.60  
ASSIGN (RESID  48 AND NAME HB   ) (RESID  49 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  48 AND NAME HB   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.40  !derived from Q2
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  49 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  49 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  50 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  50 AND NAME HB   )  0.00 0.00 5.80  
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  50 AND NAME HG*  )  0.00 0.00 5.30  !derived from Q2
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  55 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  55 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  55 AND NAME HB*  )  0.00 0.00 6.10  !derived from H23
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  55 AND NAME HB*  )  0.00 0.00 5.20  !derived from H33
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  55 AND NAME HG*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  55 AND NAME HE*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  90 AND NAME HD2* )  0.00 0.00 6.00  !derived from H33
ASSIGN (RESID  48 AND NAME HG1* ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.70  !derived from H33
ASSIGN (RESID  48 AND NAME HG1* ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.60  !derived from Q2
ASSIGN (RESID  48 AND NAME HG2* ) (RESID  49 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID  48 AND NAME HG2* ) (RESID  49 AND NAME HB   )  0.00 0.00 6.20  
ASSIGN (RESID  48 AND NAME HG2* ) (RESID  55 AND NAME HN   )  0.00 0.00 5.80  
ASSIGN (RESID  48 AND NAME HG2* ) (RESID  90 AND NAME HG   )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HG2* ) (RESID  90 AND NAME HD2* )  0.00 0.00 7.50  
ASSIGN (RESID  48 AND NAME HG2* ) (RESID 100 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HG2* ) (RESID 101 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  48 AND NAME HG2* ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q2
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HA   )  0.00 0.00 3.00  
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HB   )  0.00 0.00 4.00  
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HG*  )  0.00 0.00 7.60  !derived from Q
ASSIGN (RESID  49 AND NAME HN   ) (RESID  50 AND NAME HG*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  49 AND NAME HA   ) (RESID  49 AND NAME HB   )  0.00 0.00 2.90  
ASSIGN (RESID  49 AND NAME HA   ) (RESID  49 AND NAME HG*  )  0.00 0.00 4.90  !derived from Q
ASSIGN (RESID  49 AND NAME HA   ) (RESID  50 AND NAME HN   )  0.00 0.00 2.70  
ASSIGN (RESID  49 AND NAME HA   ) (RESID  50 AND NAME HB   )  0.00 0.00 4.50  
ASSIGN (RESID  49 AND NAME HA   ) (RESID  50 AND NAME HG*  )  0.00 0.00 4.90  !derived from Q2
ASSIGN (RESID  49 AND NAME HA   ) (RESID  54 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  49 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  49 AND NAME HA   ) (RESID  55 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  49 AND NAME HB   ) (RESID  49 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  49 AND NAME HB   ) (RESID  50 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  49 AND NAME HB   ) (RESID  54 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  49 AND NAME HG*  ) (RESID  50 AND NAME HN   )  0.00 0.00 7.90  
ASSIGN (RESID  49 AND NAME HG*  ) (RESID  54 AND NAME HB   )  0.00 0.00 7.90  
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HB   )  0.00 0.00 3.30  
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HG*  )  0.00 0.00 4.40  !derived from Q2
ASSIGN (RESID  50 AND NAME HN   ) (RESID  53 AND NAME HN   )  0.00 0.00 3.20  
ASSIGN (RESID  50 AND NAME HN   ) (RESID  54 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  50 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  50 AND NAME HN   ) (RESID  55 AND NAME HG*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  50 AND NAME HN   ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HN   ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HB   )  0.00 0.00 3.90  
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HG*  )  0.00 0.00 3.70  !derived from Q1
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HG*  )  0.00 0.00 4.40  !derived from Q2
ASSIGN (RESID  50 AND NAME HA   ) (RESID  51 AND NAME HN   )  0.00 0.00 2.70  
ASSIGN (RESID  50 AND NAME HA   ) (RESID  51 AND NAME HB*  )  0.00 0.00 4.90  !derived from H23
ASSIGN (RESID  50 AND NAME HA   ) (RESID  51 AND NAME HB*  )  0.00 0.00 4.60  !derived from H33
ASSIGN (RESID  50 AND NAME HA   ) (RESID  52 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  50 AND NAME HA   ) (RESID  53 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  50 AND NAME HA   ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HA   ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HB   ) (RESID  50 AND NAME HG*  )  0.00 0.00 4.20  !derived from Q1
ASSIGN (RESID  50 AND NAME HB   ) (RESID  50 AND NAME HG*  )  0.00 0.00 4.30  !derived from Q2
ASSIGN (RESID  50 AND NAME HB   ) (RESID  51 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  50 AND NAME HB   ) (RESID  55 AND NAME HG*  )  0.00 0.00 5.20  !derived from H33
ASSIGN (RESID  50 AND NAME HB   ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  50 AND NAME HB   ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  50 AND NAME HB   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  50 AND NAME HB   ) (RESID  99 AND NAME HB   )  0.00 0.00 5.20  
ASSIGN (RESID  50 AND NAME HB   ) (RESID  99 AND NAME HG1* )  0.00 0.00 5.30  
ASSIGN (RESID  50 AND NAME HB   ) (RESID  99 AND NAME HG2* )  0.00 0.00 5.90  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  51 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  53 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HB*  )  0.00 0.00 5.20  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HG*  )  0.00 0.00 6.40  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HG*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HD*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HD*  )  0.00 0.00 5.90  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  97 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 5.90  !derived from Q2
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  98 AND NAME HA   )  0.00 0.00 4.90  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  99 AND NAME HB   )  0.00 0.00 5.20  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  99 AND NAME HG1* )  0.00 0.00 4.90  !derived from Q1
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 5.10  !derived from Q1
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  51 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  51 AND NAME HA   )  0.00 0.00 5.80  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  51 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  51 AND NAME HB*  )  0.00 0.00 5.60  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  52 AND NAME HA*  )  0.00 0.00 5.90  !derived from H2
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  52 AND NAME HA*  )  0.00 0.00 6.00  !derived from H2
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  53 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  53 AND NAME HA   )  0.00 0.00 5.20  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  53 AND NAME HG*  )  0.00 0.00 4.50  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HG*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HG*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HD*  )  0.00 0.00 6.00  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.90  !derived from H23
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  97 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  97 AND NAME HA   )  0.00 0.00 4.90  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 7.20  !derived from Q1
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.60  !derived from Q2
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  98 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  99 AND NAME HB   )  0.00 0.00 6.40  
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.70  !derived from Q2
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.30  !derived from Q2
ASSIGN (RESID  51 AND NAME HN   ) (RESID  51 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  51 AND NAME HN   ) (RESID  51 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  51 AND NAME HN   ) (RESID  51 AND NAME HB*  )  0.00 0.00 3.60  !derived from H33
ASSIGN (RESID  51 AND NAME HN   ) (RESID  52 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  51 AND NAME HN   ) (RESID  53 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  51 AND NAME HA   ) (RESID  51 AND NAME HB*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID  51 AND NAME HA   ) (RESID  51 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID  51 AND NAME HA   ) (RESID  52 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  51 AND NAME HB*  ) (RESID  52 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  51 AND NAME HB*  ) (RESID  52 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  51 AND NAME HB*  ) (RESID  98 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  52 AND NAME HN   ) (RESID  52 AND NAME HA*  )  0.00 0.00 2.80  !derived from H2
ASSIGN (RESID  52 AND NAME HN   ) (RESID  52 AND NAME HA*  )  0.00 0.00 2.80  !derived from H2
ASSIGN (RESID  52 AND NAME HN   ) (RESID  53 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  52 AND NAME HA*  ) (RESID  53 AND NAME HN   )  0.00 0.00 3.20  
ASSIGN (RESID  52 AND NAME HA*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  52 AND NAME HA*  ) (RESID  53 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  52 AND NAME HA*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 5.90  !derived from H3
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HB*  )  0.00 0.00 3.60  !derived from H33
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HG*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HG*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  53 AND NAME HN   ) (RESID  54 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  53 AND NAME HA   ) (RESID  53 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  53 AND NAME HA   ) (RESID  53 AND NAME HB*  )  0.00 0.00 3.40  !derived from H33
ASSIGN (RESID  53 AND NAME HA   ) (RESID  54 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  53 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.40  !derived from Q1
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  53 AND NAME HG*  )  0.00 0.00 3.70  !derived from H23
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  53 AND NAME HG*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  54 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.30  !derived from H33
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  53 AND NAME HG*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  53 AND NAME HG*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  54 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  53 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.40  !derived from H33
ASSIGN (RESID  53 AND NAME HG*  ) (RESID  54 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  53 AND NAME HG*  ) (RESID  54 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HB   )  0.00 0.00 3.20  
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 3.70  !derived from Q1
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HG*  )  0.00 0.00 5.40  !derived from Q2
ASSIGN (RESID  54 AND NAME HN   ) (RESID  55 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  54 AND NAME HA   ) (RESID  54 AND NAME HB   )  0.00 0.00 4.20  
ASSIGN (RESID  54 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 4.00  !derived from Q1
ASSIGN (RESID  54 AND NAME HA   ) (RESID  54 AND NAME HG*  )  0.00 0.00 4.40  !derived from Q2
ASSIGN (RESID  54 AND NAME HA   ) (RESID  55 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  54 AND NAME HA   ) (RESID  55 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  54 AND NAME HA   ) (RESID  55 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  54 AND NAME HA   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  54 AND NAME HB   ) (RESID  54 AND NAME HG*  )  0.00 0.00 4.10  !derived from Q1
ASSIGN (RESID  54 AND NAME HB   ) (RESID  54 AND NAME HG*  )  0.00 0.00 4.40  !derived from Q2
ASSIGN (RESID  54 AND NAME HB   ) (RESID  55 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  54 AND NAME HG*  ) (RESID  55 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  54 AND NAME HG*  ) (RESID  55 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  54 AND NAME HG*  ) (RESID  55 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  54 AND NAME HG*  ) (RESID  56 AND NAME HD2  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HG*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HG*  )  0.00 0.00 4.60  !derived from H33
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HD*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HD*  )  0.00 0.00 5.10  !derived from H33
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  55 AND NAME HN   ) (RESID  56 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  55 AND NAME HN   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HB*  )  0.00 0.00 3.10  !derived from H23
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HG*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HG*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HD*  )  0.00 0.00 3.70  !derived from H23
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HD*  )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  55 AND NAME HA   ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  55 AND NAME HA   ) (RESID  56 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  55 AND NAME HA   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HG*  )  0.00 0.00 5.30  !derived from H33
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HD*  )  0.00 0.00 2.20  !derived from H23
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HD*  )  0.00 0.00 2.60  !derived from H33
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  56 AND NAME HN   )  0.00 0.00 2.90  
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.30  !derived from H23
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HG*  )  0.00 0.00 4.80  !derived from H23
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HG*  )  0.00 0.00 4.90  !derived from H33
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HD*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HD*  )  0.00 0.00 3.20  !derived from H33
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  56 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.30  !derived from H23
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.30  !derived from H33
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  56 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.60  !derived from H33
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  56 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  55 AND NAME HG*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.50  !derived from H23
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  56 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 4.50  !derived from H23
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  55 AND NAME HE*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  56 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  57 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q1
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 4.70  !derived from Q2
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  55 AND NAME HD*  ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  55 AND NAME HE*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  55 AND NAME HE*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  55 AND NAME HE*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 5.90  !derived from Q2
ASSIGN (RESID  55 AND NAME HE*  ) (RESID  96 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  55 AND NAME HE*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  55 AND NAME HE*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HA   )  0.00 0.00 4.10  
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HB*  )  0.00 0.00 3.20  !derived from H23
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HD2  )  0.00 0.00 5.00  
ASSIGN (RESID  56 AND NAME HN   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  56 AND NAME HA   ) (RESID  56 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  56 AND NAME HA   ) (RESID  56 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  56 AND NAME HA   ) (RESID  56 AND NAME HD2  )  0.00 0.00 5.50  
ASSIGN (RESID  56 AND NAME HA   ) (RESID  57 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  56 AND NAME HB*  ) (RESID  56 AND NAME HD2  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  56 AND NAME HB*  ) (RESID  57 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  56 AND NAME HB*  ) (RESID  56 AND NAME HD2  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  56 AND NAME HB*  ) (RESID  57 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  56 AND NAME HD2  ) (RESID  56 AND NAME HE1  )  0.00 0.00 5.50  
ASSIGN (RESID  57 AND NAME HN   ) (RESID  57 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  57 AND NAME HN   ) (RESID  57 AND NAME HB*  )  0.00 0.00 4.20  !derived from H3
ASSIGN (RESID  57 AND NAME HA   ) (RESID  57 AND NAME HB*  )  0.00 0.00 4.40  !derived from H3
ASSIGN (RESID  57 AND NAME HA   ) (RESID  58 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  57 AND NAME HA   ) (RESID  58 AND NAME HB   )  0.00 0.00 4.20  
ASSIGN (RESID  57 AND NAME HA   ) (RESID  58 AND NAME HG*  )  0.00 0.00 5.90  !derived from Q1
ASSIGN (RESID  57 AND NAME HA   ) (RESID  85 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  57 AND NAME HB*  ) (RESID  58 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  57 AND NAME HB*  ) (RESID  58 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  57 AND NAME HB*  ) (RESID  58 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  57 AND NAME HB*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  57 AND NAME HB*  ) (RESID  85 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  57 AND NAME HB*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  57 AND NAME HB*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  58 AND NAME HN   ) (RESID  58 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  58 AND NAME HN   ) (RESID  58 AND NAME HB   )  0.00 0.00 3.00  
ASSIGN (RESID  58 AND NAME HN   ) (RESID  58 AND NAME HG*  )  0.00 0.00 4.20  !derived from Q1
ASSIGN (RESID  58 AND NAME HN   ) (RESID  58 AND NAME HG*  )  0.00 0.00 6.40  !derived from Q2
ASSIGN (RESID  58 AND NAME HN   ) (RESID  59 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID  58 AND NAME HA   ) (RESID  58 AND NAME HB   )  0.00 0.00 3.90  
ASSIGN (RESID  58 AND NAME HA   ) (RESID  58 AND NAME HG*  )  0.00 0.00 4.80  !derived from Q1
ASSIGN (RESID  58 AND NAME HA   ) (RESID  58 AND NAME HG*  )  0.00 0.00 4.90  !derived from Q2
ASSIGN (RESID  58 AND NAME HA   ) (RESID  59 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  58 AND NAME HA   ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  58 AND NAME HB   ) (RESID  58 AND NAME HG*  )  0.00 0.00 3.80  !derived from Q1
ASSIGN (RESID  58 AND NAME HB   ) (RESID  58 AND NAME HG*  )  0.00 0.00 4.30  !derived from Q2
ASSIGN (RESID  58 AND NAME HB   ) (RESID  59 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  59 AND NAME HN   )  0.00 0.00 5.60  
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  59 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  59 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  59 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  60 AND NAME HA   )  0.00 0.00 6.00  
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  60 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  60 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  60 AND NAME HD2* )  0.00 0.00 6.50  !derived from H13
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  60 AND NAME HD2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  58 AND NAME HG*  ) (RESID  68 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HA   )  0.00 0.00 2.90  
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HB   )  0.00 0.00 3.50  
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HG*  )  0.00 0.00 5.00  !derived from Q2
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  59 AND NAME HA   ) (RESID  59 AND NAME HB   )  0.00 0.00 3.60  
ASSIGN (RESID  59 AND NAME HA   ) (RESID  59 AND NAME HG*  )  0.00 0.00 4.20  !derived from Q2
ASSIGN (RESID  59 AND NAME HA   ) (RESID  59 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q1
ASSIGN (RESID  59 AND NAME HA   ) (RESID  59 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  59 AND NAME HA   ) (RESID  60 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  59 AND NAME HA   ) (RESID  60 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  59 AND NAME HA   ) (RESID  68 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  59 AND NAME HB   ) (RESID  59 AND NAME HG*  )  0.00 0.00 3.60  !derived from Q2
ASSIGN (RESID  59 AND NAME HB   ) (RESID  59 AND NAME HG*  )  0.00 0.00 6.00  !derived from Q1
ASSIGN (RESID  59 AND NAME HB   ) (RESID  59 AND NAME HD*  )  0.00 0.00 4.10  !derived from Q1
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 4.00  !derived from Q1
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  60 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  61 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  66 AND NAME HA   )  0.00 0.00 6.30  
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  66 AND NAME HB*  )  0.00 0.00 6.10  !derived from H3
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  66 AND NAME HD*  )  0.00 0.00 6.80  !derived from Q
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  66 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  67 AND NAME HN   )  0.00 0.00 5.60  
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  78 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 5.90  !derived from Q2
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  59 AND NAME HD*  )  0.00 0.00 4.90  !derived from Q1
ASSIGN (RESID  59 AND NAME HG*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  66 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  66 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  66 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  68 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  68 AND NAME HZ   )  0.00 0.00 6.50  
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 5.90  !derived from Q2
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 4.40  !derived from Q2
ASSIGN (RESID  59 AND NAME HD*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  60 AND NAME HN   ) (RESID  60 AND NAME HA   )  0.00 0.00 4.20  
ASSIGN (RESID  60 AND NAME HN   ) (RESID  60 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  60 AND NAME HN   ) (RESID  60 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID  60 AND NAME HN   ) (RESID  67 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  60 AND NAME HA   ) (RESID  60 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  60 AND NAME HA   ) (RESID  60 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  60 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  60 AND NAME HD2* )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  61 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  62 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  60 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  60 AND NAME HD2* )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  61 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  60 AND NAME HB*  ) (RESID  62 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  61 AND NAME HN   ) (RESID  61 AND NAME HA   )  0.00 0.00 3.00  
ASSIGN (RESID  61 AND NAME HN   ) (RESID  61 AND NAME HB*  )  0.00 0.00 2.60  !derived from H23
ASSIGN (RESID  61 AND NAME HN   ) (RESID  61 AND NAME HB*  )  0.00 0.00 4.30  !derived from H33
ASSIGN (RESID  61 AND NAME HN   ) (RESID  61 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  61 AND NAME HA   ) (RESID  61 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  61 AND NAME HA   ) (RESID  61 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  61 AND NAME HA   ) (RESID  66 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  61 AND NAME HB*  ) (RESID  66 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  61 AND NAME HB*  ) (RESID  66 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  61 AND NAME HB*  ) (RESID  66 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  61 AND NAME HB*  ) (RESID  66 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  62 AND NAME HN   ) (RESID  62 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  62 AND NAME HN   ) (RESID  62 AND NAME HB   )  0.00 0.00 4.00  
ASSIGN (RESID  62 AND NAME HN   ) (RESID  62 AND NAME HG2* )  0.00 0.00 5.60  
ASSIGN (RESID  62 AND NAME HN   ) (RESID  65 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  62 AND NAME HN   ) (RESID  66 AND NAME HA   )  0.00 0.00 4.60  
ASSIGN (RESID  62 AND NAME HA   ) (RESID  62 AND NAME HB   )  0.00 0.00 3.30  
ASSIGN (RESID  62 AND NAME HA   ) (RESID  62 AND NAME HG2* )  0.00 0.00 4.90  
ASSIGN (RESID  62 AND NAME HB   ) (RESID  62 AND NAME HG2* )  0.00 0.00 5.60  
ASSIGN (RESID  62 AND NAME HB   ) (RESID  63 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  62 AND NAME HB   ) (RESID  64 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  62 AND NAME HG2* ) (RESID  65 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  62 AND NAME HG2* ) (RESID  66 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  63 AND NAME HA   ) (RESID  63 AND NAME HB*  )  0.00 0.00 3.70  !derived from H3
ASSIGN (RESID  63 AND NAME HA   ) (RESID  64 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  63 AND NAME HB*  ) (RESID  64 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID  63 AND NAME HB*  ) (RESID  64 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  63 AND NAME HB*  ) (RESID  64 AND NAME HG2* )  0.00 0.00 6.10  !derived from H3
ASSIGN (RESID  63 AND NAME HB*  ) (RESID  65 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  64 AND NAME HN   ) (RESID  64 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  64 AND NAME HN   ) (RESID  64 AND NAME HB   )  0.00 0.00 3.20  
ASSIGN (RESID  64 AND NAME HN   ) (RESID  64 AND NAME HG2* )  0.00 0.00 4.30  
ASSIGN (RESID  64 AND NAME HN   ) (RESID  65 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  64 AND NAME HA   ) (RESID  64 AND NAME HG2* )  0.00 0.00 4.50  
ASSIGN (RESID  64 AND NAME HA   ) (RESID  65 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  64 AND NAME HB   ) (RESID  64 AND NAME HG2* )  0.00 0.00 4.40  
ASSIGN (RESID  64 AND NAME HB   ) (RESID  74 AND NAME HD*  )  0.00 0.00 7.90  !derived from Q
ASSIGN (RESID  64 AND NAME HG2* ) (RESID  65 AND NAME HN   )  0.00 0.00 5.30  
ASSIGN (RESID  64 AND NAME HG2* ) (RESID  74 AND NAME HD*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  65 AND NAME HN   ) (RESID  65 AND NAME HA*  )  0.00 0.00 2.90  !derived from H2
ASSIGN (RESID  65 AND NAME HN   ) (RESID  65 AND NAME HA*  )  0.00 0.00 3.20  !derived from H2
ASSIGN (RESID  65 AND NAME HN   ) (RESID  66 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID  65 AND NAME HA*  ) (RESID  66 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  65 AND NAME HA*  ) (RESID  66 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  65 AND NAME HA*  ) (RESID  66 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  66 AND NAME HN   ) (RESID  66 AND NAME HA   )  0.00 0.00 5.40  
ASSIGN (RESID  66 AND NAME HN   ) (RESID  66 AND NAME HB*  )  0.00 0.00 4.70  !derived from H3
ASSIGN (RESID  66 AND NAME HN   ) (RESID  66 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  66 AND NAME HA   ) (RESID  66 AND NAME HB*  )  0.00 0.00 4.60  !derived from H3
ASSIGN (RESID  66 AND NAME HA   ) (RESID  66 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  66 AND NAME HA   ) (RESID  66 AND NAME HE*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  66 AND NAME HA   ) (RESID  67 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  66 AND NAME HA   ) (RESID  67 AND NAME HA*  )  0.00 0.00 6.50  
ASSIGN (RESID  66 AND NAME HA   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  66 AND NAME HB*  ) (RESID  66 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  66 AND NAME HB*  ) (RESID  66 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  66 AND NAME HB*  ) (RESID  67 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID  66 AND NAME HB*  ) (RESID  78 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  66 AND NAME HB*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  66 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  66 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  66 AND NAME HD*  ) (RESID  66 AND NAME HE*  )  0.00 0.00 9.10  !derived from Q
ASSIGN (RESID  66 AND NAME HD*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q2
ASSIGN (RESID  66 AND NAME HE*  ) (RESID  77 AND NAME HA   )  0.00 0.00 7.50  
ASSIGN (RESID  66 AND NAME HE*  ) (RESID  78 AND NAME HN   )  0.00 0.00 7.50  
ASSIGN (RESID  66 AND NAME HE*  ) (RESID  78 AND NAME HB*  )  0.00 0.00 7.30  !derived from H23
ASSIGN (RESID  66 AND NAME HE*  ) (RESID  78 AND NAME HB*  )  0.00 0.00 7.20  !derived from H33
ASSIGN (RESID  66 AND NAME HE*  ) (RESID  78 AND NAME HG   )  0.00 0.00 7.50  
ASSIGN (RESID  66 AND NAME HE*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q1
ASSIGN (RESID  66 AND NAME HE*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q2
ASSIGN (RESID  67 AND NAME HN   ) (RESID  67 AND NAME HA*  )  0.00 0.00 5.30  
ASSIGN (RESID  67 AND NAME HN   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  67 AND NAME HN   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  67 AND NAME HA*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  67 AND NAME HA*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  67 AND NAME HA*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  68 AND NAME HN   ) (RESID  68 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID  68 AND NAME HN   ) (RESID  68 AND NAME HB*  )  0.00 0.00 4.50  !derived from H23
ASSIGN (RESID  68 AND NAME HN   ) (RESID  68 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  68 AND NAME HN   ) (RESID  68 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  68 AND NAME HN   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  68 AND NAME HA   ) (RESID  68 AND NAME HB*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID  68 AND NAME HA   ) (RESID  68 AND NAME HB*  )  0.00 0.00 4.90  !derived from H33
ASSIGN (RESID  68 AND NAME HA   ) (RESID  68 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  68 AND NAME HB*  ) (RESID  68 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  68 AND NAME HB*  ) (RESID  69 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID  68 AND NAME HB*  ) (RESID  68 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  68 AND NAME HD*  ) (RESID  68 AND NAME HE*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  68 AND NAME HD*  ) (RESID  69 AND NAME HB*  )  0.00 0.00 8.50  !derived from H3
ASSIGN (RESID  68 AND NAME HD*  ) (RESID  90 AND NAME HG   )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  68 AND NAME HD*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  68 AND NAME HE*  ) (RESID  68 AND NAME HZ   )  0.00 0.00 6.60  
ASSIGN (RESID  68 AND NAME HE*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q1
ASSIGN (RESID  68 AND NAME HE*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q2
ASSIGN (RESID  68 AND NAME HE*  ) (RESID  90 AND NAME HG   )  0.00 0.00 7.50  
ASSIGN (RESID  68 AND NAME HE*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  68 AND NAME HE*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  68 AND NAME HZ   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  68 AND NAME HZ   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  68 AND NAME HZ   ) (RESID  90 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  68 AND NAME HZ   ) (RESID  90 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  68 AND NAME HZ   ) (RESID  90 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  68 AND NAME HZ   ) (RESID  90 AND NAME HD2* )  0.00 0.00 5.90  
ASSIGN (RESID  68 AND NAME HZ   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  69 AND NAME HN   ) (RESID  69 AND NAME HA   )  0.00 0.00 3.70  
ASSIGN (RESID  69 AND NAME HN   ) (RESID  69 AND NAME HB*  )  0.00 0.00 4.90  !derived from H3
ASSIGN (RESID  69 AND NAME HA   ) (RESID  69 AND NAME HB*  )  0.00 0.00 4.30  !derived from H3
ASSIGN (RESID  69 AND NAME HA   ) (RESID  70 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  69 AND NAME HA   ) (RESID  74 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  69 AND NAME HB*  ) (RESID  70 AND NAME HN   )  0.00 0.00 5.90  
ASSIGN (RESID  70 AND NAME HN   ) (RESID  70 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  70 AND NAME HN   ) (RESID  70 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  70 AND NAME HN   ) (RESID  70 AND NAME HB*  )  0.00 0.00 3.50  !derived from H33
ASSIGN (RESID  70 AND NAME HA   ) (RESID  70 AND NAME HB*  )  0.00 0.00 3.20  !derived from H23
ASSIGN (RESID  70 AND NAME HA   ) (RESID  70 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  70 AND NAME HA   ) (RESID  70 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  70 AND NAME HB*  ) (RESID  70 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  70 AND NAME HB*  ) (RESID  70 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  70 AND NAME HG*  ) (RESID  72 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  72 AND NAME HN   ) (RESID  72 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  72 AND NAME HN   ) (RESID  73 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  72 AND NAME HA   ) (RESID  72 AND NAME HB*  )  0.00 0.00 4.40  !derived from H3
ASSIGN (RESID  72 AND NAME HA   ) (RESID  73 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  73 AND NAME HB*  ) (RESID  73 AND NAME HD2* )  0.00 0.00 5.00  !derived from H13
ASSIGN (RESID  73 AND NAME HB*  ) (RESID  73 AND NAME HD2* )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  73 AND NAME HB*  ) (RESID  73 AND NAME HD2* )  0.00 0.00 4.80  !derived from H13
ASSIGN (RESID  73 AND NAME HB*  ) (RESID  73 AND NAME HD2* )  0.00 0.00 5.30  !derived from H23
ASSIGN (RESID  74 AND NAME HN   ) (RESID  74 AND NAME HA   )  0.00 0.00 4.20  
ASSIGN (RESID  74 AND NAME HN   ) (RESID  74 AND NAME HB*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  74 AND NAME HN   ) (RESID  74 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  74 AND NAME HN   ) (RESID  74 AND NAME HG   )  0.00 0.00 5.00  
ASSIGN (RESID  74 AND NAME HN   ) (RESID  74 AND NAME HD*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  74 AND NAME HN   ) (RESID  75 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  74 AND NAME HN   ) (RESID  75 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  74 AND NAME HA   ) (RESID  74 AND NAME HB*  )  0.00 0.00 4.30  !derived from H23
ASSIGN (RESID  74 AND NAME HA   ) (RESID  74 AND NAME HB*  )  0.00 0.00 2.90  !derived from H33
ASSIGN (RESID  74 AND NAME HA   ) (RESID  74 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  74 AND NAME HA   ) (RESID  74 AND NAME HD*  )  0.00 0.00 6.80  !derived from Q
ASSIGN (RESID  74 AND NAME HB*  ) (RESID  74 AND NAME HG   )  0.00 0.00 4.60  
ASSIGN (RESID  74 AND NAME HB*  ) (RESID  74 AND NAME HD*  )  0.00 0.00 5.30  !derived from Q
ASSIGN (RESID  74 AND NAME HB*  ) (RESID  74 AND NAME HG   )  0.00 0.00 2.50  
ASSIGN (RESID  74 AND NAME HB*  ) (RESID  74 AND NAME HD*  )  0.00 0.00 4.40  !derived from Q
ASSIGN (RESID  74 AND NAME HB*  ) (RESID  75 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  74 AND NAME HG   ) (RESID  74 AND NAME HD*  )  0.00 0.00 5.20  !derived from Q
ASSIGN (RESID  74 AND NAME HG   ) (RESID  75 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  74 AND NAME HD*  ) (RESID  75 AND NAME HN   )  0.00 0.00 7.90  
ASSIGN (RESID  75 AND NAME HN   ) (RESID  75 AND NAME HA   )  0.00 0.00 4.90  
ASSIGN (RESID  75 AND NAME HN   ) (RESID  75 AND NAME HB*  )  0.00 0.00 4.70  !derived from H3
ASSIGN (RESID  75 AND NAME HA   ) (RESID  75 AND NAME HB*  )  0.00 0.00 5.50  !derived from H3
ASSIGN (RESID  75 AND NAME HA   ) (RESID  76 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  75 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  76 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  77 AND NAME HN   )  0.00 0.00 5.40  
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  80 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  80 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  80 AND NAME HG*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  80 AND NAME HG*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  81 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  81 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  81 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  75 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  75 AND NAME HD*  ) (RESID  76 AND NAME HN   )  0.00 0.00 7.50  
ASSIGN (RESID  75 AND NAME HD*  ) (RESID  80 AND NAME HB*  )  0.00 0.00 7.50  !derived from H23
ASSIGN (RESID  76 AND NAME HN   ) (RESID  76 AND NAME HA   )  0.00 0.00 4.10  
ASSIGN (RESID  76 AND NAME HN   ) (RESID  76 AND NAME HB*  )  0.00 0.00 4.20  !derived from H3
ASSIGN (RESID  76 AND NAME HN   ) (RESID  77 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  76 AND NAME HN   ) (RESID  80 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  76 AND NAME HN   ) (RESID  80 AND NAME HB*  )  0.00 0.00 4.80  !derived from H33
ASSIGN (RESID  76 AND NAME HA   ) (RESID  76 AND NAME HB*  )  0.00 0.00 4.30  !derived from H3
ASSIGN (RESID  76 AND NAME HB*  ) (RESID  77 AND NAME HN   )  0.00 0.00 6.30  
ASSIGN (RESID  77 AND NAME HN   ) (RESID  77 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  77 AND NAME HN   ) (RESID  77 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  77 AND NAME HN   ) (RESID  77 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID  77 AND NAME HN   ) (RESID  80 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  77 AND NAME HN   ) (RESID  80 AND NAME HB*  )  0.00 0.00 2.90  !derived from H23
ASSIGN (RESID  77 AND NAME HN   ) (RESID  80 AND NAME HB*  )  0.00 0.00 3.20  !derived from H33
ASSIGN (RESID  77 AND NAME HN   ) (RESID  80 AND NAME HG*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID  77 AND NAME HN   ) (RESID  80 AND NAME HG*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  77 AND NAME HA   ) (RESID  77 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  77 AND NAME HA   ) (RESID  77 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  77 AND NAME HA   ) (RESID  78 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  77 AND NAME HA   ) (RESID  79 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  77 AND NAME HA   ) (RESID  80 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID  77 AND NAME HB*  ) (RESID  78 AND NAME HN   )  0.00 0.00 4.40  
ASSIGN (RESID  77 AND NAME HB*  ) (RESID  78 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  78 AND NAME HN   ) (RESID  78 AND NAME HA   )  0.00 0.00 4.10  
ASSIGN (RESID  78 AND NAME HN   ) (RESID  78 AND NAME HB*  )  0.00 0.00 3.40  !derived from H23
ASSIGN (RESID  78 AND NAME HN   ) (RESID  78 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  78 AND NAME HN   ) (RESID  78 AND NAME HG   )  0.00 0.00 3.90  
ASSIGN (RESID  78 AND NAME HN   ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.30  !derived from Q1
ASSIGN (RESID  78 AND NAME HN   ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  78 AND NAME HN   ) (RESID  79 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  78 AND NAME HA   ) (RESID  78 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  78 AND NAME HA   ) (RESID  78 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  78 AND NAME HA   ) (RESID  78 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  78 AND NAME HA   ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  78 AND NAME HA   ) (RESID  78 AND NAME HD*  )  0.00 0.00 5.10  !derived from Q2
ASSIGN (RESID  78 AND NAME HA   ) (RESID  79 AND NAME HN   )  0.00 0.00 5.30  
ASSIGN (RESID  78 AND NAME HA   ) (RESID  81 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  78 AND NAME HA   ) (RESID  81 AND NAME HB*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID  78 AND NAME HA   ) (RESID  81 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  78 AND NAME HA   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  78 AND NAME HA   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  78 AND NAME HA   ) (RESID  82 AND NAME HN   )  0.00 0.00 5.40  
ASSIGN (RESID  78 AND NAME HA   ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  78 AND NAME HG   )  0.00 0.00 4.90  
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 5.20  !derived from Q1
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  79 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  78 AND NAME HG   )  0.00 0.00 4.60  
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q1
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  78 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q2
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  79 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  79 AND NAME HA   )  0.00 0.00 5.30  
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  79 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  78 AND NAME HB*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  78 AND NAME HG   ) (RESID  78 AND NAME HD*  )  0.00 0.00 5.30  !derived from Q1
ASSIGN (RESID  78 AND NAME HG   ) (RESID  78 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q2
ASSIGN (RESID  78 AND NAME HG   ) (RESID  79 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  78 AND NAME HD*  ) (RESID  79 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  78 AND NAME HD*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  78 AND NAME HD*  ) (RESID  79 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  78 AND NAME HD*  ) (RESID  81 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  78 AND NAME HD*  ) (RESID  82 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  78 AND NAME HD*  ) (RESID  82 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  78 AND NAME HD*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  79 AND NAME HN   ) (RESID  79 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  79 AND NAME HN   ) (RESID  79 AND NAME HB*  )  0.00 0.00 3.90  !derived from H3
ASSIGN (RESID  79 AND NAME HN   ) (RESID  79 AND NAME HG*  )  0.00 0.00 6.00  !derived from Q
ASSIGN (RESID  79 AND NAME HN   ) (RESID  79 AND NAME HD*  )  0.00 0.00 4.90  !derived from Q
ASSIGN (RESID  79 AND NAME HN   ) (RESID  79 AND NAME HE*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  79 AND NAME HN   ) (RESID  80 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  79 AND NAME HA   ) (RESID  79 AND NAME HB*  )  0.00 0.00 5.40  !derived from H3
ASSIGN (RESID  79 AND NAME HA   ) (RESID  79 AND NAME HG*  )  0.00 0.00 5.70  !derived from Q
ASSIGN (RESID  79 AND NAME HA   ) (RESID  79 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  79 AND NAME HA   ) (RESID  82 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  79 AND NAME HA   ) (RESID  82 AND NAME HB   )  0.00 0.00 4.00  
ASSIGN (RESID  79 AND NAME HA   ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  79 AND NAME HA   ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  79 AND NAME HB*  ) (RESID  79 AND NAME HG*  )  0.00 0.00 6.80  !derived from Q
ASSIGN (RESID  79 AND NAME HB*  ) (RESID  79 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  79 AND NAME HB*  ) (RESID  82 AND NAME HG1* )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  79 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  79 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  79 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  80 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  80 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  80 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  82 AND NAME HN   )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 7.40  !derived from Q1
ASSIGN (RESID  79 AND NAME HG*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  79 AND NAME HE*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  79 AND NAME HE*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  80 AND NAME HN   ) (RESID  80 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID  80 AND NAME HN   ) (RESID  80 AND NAME HB*  )  0.00 0.00 3.70  !derived from H23
ASSIGN (RESID  80 AND NAME HN   ) (RESID  80 AND NAME HB*  )  0.00 0.00 3.00  !derived from H33
ASSIGN (RESID  80 AND NAME HN   ) (RESID  80 AND NAME HG*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID  80 AND NAME HN   ) (RESID  80 AND NAME HG*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  80 AND NAME HN   ) (RESID  81 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  80 AND NAME HA   ) (RESID  80 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  80 AND NAME HA   ) (RESID  80 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID  80 AND NAME HA   ) (RESID  80 AND NAME HG*  )  0.00 0.00 5.00  !derived from H23
ASSIGN (RESID  80 AND NAME HA   ) (RESID  80 AND NAME HG*  )  0.00 0.00 4.90  !derived from H33
ASSIGN (RESID  80 AND NAME HA   ) (RESID  83 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  80 AND NAME HA   ) (RESID  83 AND NAME HB*  )  0.00 0.00 3.60  !derived from H23
ASSIGN (RESID  80 AND NAME HA   ) (RESID  83 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID  80 AND NAME HA   ) (RESID  83 AND NAME HG   )  0.00 0.00 4.80  
ASSIGN (RESID  80 AND NAME HA   ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q1
ASSIGN (RESID  80 AND NAME HA   ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  80 AND NAME HA   ) (RESID  84 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  80 AND NAME HG*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  81 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  81 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  83 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  80 AND NAME HG*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  80 AND NAME HG*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  81 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  80 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  81 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  81 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  83 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  84 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  83 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  80 AND NAME HG*  ) (RESID  84 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  81 AND NAME HN   ) (RESID  81 AND NAME HA   )  0.00 0.00 3.70  
ASSIGN (RESID  81 AND NAME HN   ) (RESID  81 AND NAME HB*  )  0.00 0.00 3.40  !derived from H23
ASSIGN (RESID  81 AND NAME HN   ) (RESID  81 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID  81 AND NAME HN   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.30  !derived from Q1
ASSIGN (RESID  81 AND NAME HN   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  81 AND NAME HN   ) (RESID  82 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  81 AND NAME HN   ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  81 AND NAME HA   ) (RESID  81 AND NAME HB*  )  0.00 0.00 4.30  !derived from H23
ASSIGN (RESID  81 AND NAME HA   ) (RESID  81 AND NAME HB*  )  0.00 0.00 3.60  !derived from H33
ASSIGN (RESID  81 AND NAME HA   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.40  !derived from Q1
ASSIGN (RESID  81 AND NAME HA   ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  81 AND NAME HA   ) (RESID  82 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID  81 AND NAME HA   ) (RESID  84 AND NAME HN   )  0.00 0.00 3.90  
ASSIGN (RESID  81 AND NAME HA   ) (RESID  84 AND NAME HB*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID  81 AND NAME HA   ) (RESID  84 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID  81 AND NAME HA   ) (RESID  85 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  81 AND NAME HA   ) (RESID  85 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 5.80  !derived from Q1
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  82 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 5.20  !derived from Q1
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  81 AND NAME HD*  )  0.00 0.00 5.80  !derived from Q2
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  82 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  81 AND NAME HB*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HG1* )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  84 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  85 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  85 AND NAME HE*  )  0.00 0.00 8.30  !derived from Q
ASSIGN (RESID  81 AND NAME HD*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HA   )  0.00 0.00 5.80  
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HB   )  0.00 0.00 6.20  
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  82 AND NAME HG2* )  0.00 0.00 5.70  !derived from Q2
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  85 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  85 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  85 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  81 AND NAME HD*  ) (RESID  85 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  82 AND NAME HN   ) (RESID  82 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID  82 AND NAME HN   ) (RESID  82 AND NAME HB   )  0.00 0.00 3.20  
ASSIGN (RESID  82 AND NAME HN   ) (RESID  82 AND NAME HG1* )  0.00 0.00 6.30  
ASSIGN (RESID  82 AND NAME HN   ) (RESID  82 AND NAME HG2* )  0.00 0.00 4.60  
ASSIGN (RESID  82 AND NAME HA   ) (RESID  82 AND NAME HB   )  0.00 0.00 4.30  
ASSIGN (RESID  82 AND NAME HA   ) (RESID  82 AND NAME HG1* )  0.00 0.00 5.70  
ASSIGN (RESID  82 AND NAME HA   ) (RESID  82 AND NAME HG2* )  0.00 0.00 4.80  
ASSIGN (RESID  82 AND NAME HA   ) (RESID  83 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  82 AND NAME HA   ) (RESID  85 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  82 AND NAME HA   ) (RESID  85 AND NAME HB*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID  82 AND NAME HA   ) (RESID 101 AND NAME HD*  )  0.00 0.00 5.00  !derived from Q1
ASSIGN (RESID  82 AND NAME HB   ) (RESID  82 AND NAME HG1* )  0.00 0.00 4.90  
ASSIGN (RESID  82 AND NAME HB   ) (RESID  82 AND NAME HG2* )  0.00 0.00 4.60  
ASSIGN (RESID  82 AND NAME HB   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  82 AND NAME HB   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  82 AND NAME HG1* ) (RESID  83 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  82 AND NAME HG1* ) (RESID  83 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  82 AND NAME HG1* ) (RESID  83 AND NAME HG   )  0.00 0.00 6.50  
ASSIGN (RESID  82 AND NAME HG1* ) (RESID  83 AND NAME HD*  )  0.00 0.00 6.30  !derived from Q2
ASSIGN (RESID  82 AND NAME HG1* ) (RESID  86 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  82 AND NAME HG1* ) (RESID 101 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  82 AND NAME HG1* ) (RESID 101 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  82 AND NAME HG1* ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.90  !derived from Q1
ASSIGN (RESID  82 AND NAME HG2* ) (RESID  83 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  82 AND NAME HG2* ) (RESID  83 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  82 AND NAME HG2* ) (RESID 101 AND NAME HD*  )  0.00 0.00 7.30  !derived from Q1
ASSIGN (RESID  82 AND NAME HG2* ) (RESID 101 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  83 AND NAME HN   ) (RESID  83 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID  83 AND NAME HN   ) (RESID  83 AND NAME HB*  )  0.00 0.00 3.00  !derived from H23
ASSIGN (RESID  83 AND NAME HN   ) (RESID  83 AND NAME HB*  )  0.00 0.00 3.10  !derived from H33
ASSIGN (RESID  83 AND NAME HN   ) (RESID  83 AND NAME HG   )  0.00 0.00 5.00  
ASSIGN (RESID  83 AND NAME HN   ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.40  !derived from Q1
ASSIGN (RESID  83 AND NAME HN   ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.30  !derived from Q2
ASSIGN (RESID  83 AND NAME HN   ) (RESID  84 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  83 AND NAME HA   ) (RESID  83 AND NAME HB*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID  83 AND NAME HA   ) (RESID  83 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  83 AND NAME HA   ) (RESID  83 AND NAME HG   )  0.00 0.00 4.30  
ASSIGN (RESID  83 AND NAME HA   ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.90  !derived from Q1
ASSIGN (RESID  83 AND NAME HA   ) (RESID  83 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q2
ASSIGN (RESID  83 AND NAME HA   ) (RESID  84 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  83 AND NAME HA   ) (RESID  86 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  83 AND NAME HA   ) (RESID  86 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  83 AND NAME HA   ) (RESID  86 AND NAME HB*  )  0.00 0.00 4.60  !derived from H33
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  83 AND NAME HG   )  0.00 0.00 4.40  
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 4.90  !derived from Q1
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.10  !derived from Q2
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  84 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  83 AND NAME HG   )  0.00 0.00 4.10  
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.10  !derived from Q1
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  83 AND NAME HD*  )  0.00 0.00 5.00  !derived from Q2
ASSIGN (RESID  83 AND NAME HB*  ) (RESID  84 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  83 AND NAME HG   ) (RESID  83 AND NAME HD*  )  0.00 0.00 4.40  !derived from Q1
ASSIGN (RESID  83 AND NAME HG   ) (RESID  83 AND NAME HD*  )  0.00 0.00 4.30  !derived from Q2
ASSIGN (RESID  83 AND NAME HG   ) (RESID  84 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  83 AND NAME HD*  ) (RESID  84 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  83 AND NAME HD*  ) (RESID  85 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  83 AND NAME HD*  ) (RESID  86 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  84 AND NAME HN   ) (RESID  84 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  84 AND NAME HN   ) (RESID  84 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  84 AND NAME HN   ) (RESID  84 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  84 AND NAME HN   ) (RESID  84 AND NAME HB*  )  0.00 0.00 3.80  !derived from H3
ASSIGN (RESID  84 AND NAME HN   ) (RESID  85 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID  84 AND NAME HA   ) (RESID  84 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  84 AND NAME HA   ) (RESID  84 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  84 AND NAME HA   ) (RESID  85 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  84 AND NAME HA   ) (RESID  87 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  84 AND NAME HA   ) (RESID  87 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  84 AND NAME HA   ) (RESID  87 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  84 AND NAME HB*  ) (RESID  85 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  84 AND NAME HB*  ) (RESID  85 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID  84 AND NAME HB*  ) (RESID  85 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  85 AND NAME HN   ) (RESID  85 AND NAME HA   )  0.00 0.00 4.00  
ASSIGN (RESID  85 AND NAME HN   ) (RESID  85 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  85 AND NAME HN   ) (RESID  85 AND NAME HB*  )  0.00 0.00 3.40  !derived from H33
ASSIGN (RESID  85 AND NAME HN   ) (RESID  86 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  85 AND NAME HA   ) (RESID  85 AND NAME HB*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  85 AND NAME HA   ) (RESID  85 AND NAME HB*  )  0.00 0.00 4.60  !derived from H33
ASSIGN (RESID  85 AND NAME HA   ) (RESID  85 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  85 AND NAME HA   ) (RESID  85 AND NAME HE*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  85 AND NAME HA   ) (RESID  86 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  85 AND NAME HA   ) (RESID  87 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID  85 AND NAME HA   ) (RESID  88 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  85 AND NAME HA   ) (RESID  88 AND NAME HB   )  0.00 0.00 3.60  
ASSIGN (RESID  85 AND NAME HA   ) (RESID  88 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  85 AND NAME HA   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  85 AND NAME HD*  )  0.00 0.00 7.10  !derived from Q
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  85 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 5.70  !derived from H23
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  85 AND NAME HB*  ) (RESID 101 AND NAME HG   )  0.00 0.00 4.90  
ASSIGN (RESID  85 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.10  !derived from Q1
ASSIGN (RESID  85 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  85 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  85 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 5.80  !derived from H33
ASSIGN (RESID  85 AND NAME HB*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  85 AND NAME HB*  ) (RESID 101 AND NAME HG   )  0.00 0.00 4.90  
ASSIGN (RESID  85 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.00  !derived from Q1
ASSIGN (RESID  85 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  85 AND NAME HD*  ) (RESID  85 AND NAME HE*  )  0.00 0.00 8.90  !derived from Q
ASSIGN (RESID  85 AND NAME HD*  ) (RESID  88 AND NAME HB   )  0.00 0.00 7.50  
ASSIGN (RESID  85 AND NAME HD*  ) (RESID  88 AND NAME HG2* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  85 AND NAME HD*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  85 AND NAME HD*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  85 AND NAME HD*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q1
ASSIGN (RESID  85 AND NAME HE*  ) (RESID  88 AND NAME HB   )  0.00 0.00 7.50  
ASSIGN (RESID  85 AND NAME HE*  ) (RESID  88 AND NAME HG2* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  85 AND NAME HE*  ) (RESID  90 AND NAME HA   )  0.00 0.00 7.50  
ASSIGN (RESID  85 AND NAME HE*  ) (RESID  90 AND NAME HG   )  0.00 0.00 7.50  
ASSIGN (RESID  85 AND NAME HE*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  85 AND NAME HE*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID  86 AND NAME HN   ) (RESID  86 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID  86 AND NAME HN   ) (RESID  86 AND NAME HB*  )  0.00 0.00 3.90  !derived from H23
ASSIGN (RESID  86 AND NAME HN   ) (RESID  86 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  86 AND NAME HN   ) (RESID  86 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  86 AND NAME HN   ) (RESID  87 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  86 AND NAME HA   ) (RESID  86 AND NAME HB*  )  0.00 0.00 3.70  !derived from H23
ASSIGN (RESID  86 AND NAME HA   ) (RESID  86 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  86 AND NAME HA   ) (RESID  86 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  86 AND NAME HA   ) (RESID  87 AND NAME HN   )  0.00 0.00 5.10  
ASSIGN (RESID  86 AND NAME HA   ) (RESID  90 AND NAME HD1* )  0.00 0.00 6.50  
ASSIGN (RESID  86 AND NAME HA   ) (RESID 100 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID  86 AND NAME HA   ) (RESID 100 AND NAME HB   )  0.00 0.00 5.50  
ASSIGN (RESID  86 AND NAME HA   ) (RESID 101 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  86 AND NAME HA   ) (RESID 101 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  86 AND NAME HA   ) (RESID 101 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  86 AND NAME HA   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  86 AND NAME HA   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  86 AND NAME HA   ) (RESID 102 AND NAME HA   )  0.00 0.00 3.70  
ASSIGN (RESID  86 AND NAME HB*  ) (RESID  86 AND NAME HG*  )  0.00 0.00 5.60  !derived from Q
ASSIGN (RESID  86 AND NAME HB*  ) (RESID  86 AND NAME HE21 )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  86 AND NAME HB*  ) (RESID  87 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  86 AND NAME HB*  ) (RESID  86 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  86 AND NAME HB*  ) (RESID  86 AND NAME HE21 )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  86 AND NAME HB*  ) (RESID  87 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  86 AND NAME HG*  ) (RESID  86 AND NAME HE21 )  0.00 0.00 6.30  !derived from Q
ASSIGN (RESID  86 AND NAME HG*  ) (RESID  86 AND NAME HE22 )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  86 AND NAME HG*  ) (RESID  87 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  86 AND NAME HG*  ) (RESID 102 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  86 AND NAME HE21 ) (RESID 102 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  86 AND NAME HE22 ) (RESID 102 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID  87 AND NAME HN   ) (RESID  87 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  87 AND NAME HN   ) (RESID  87 AND NAME HB*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID  87 AND NAME HN   ) (RESID  87 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  87 AND NAME HN   ) (RESID  88 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  87 AND NAME HN   ) (RESID  88 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  87 AND NAME HN   ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  87 AND NAME HA   ) (RESID  87 AND NAME HB*  )  0.00 0.00 3.40  !derived from H23
ASSIGN (RESID  87 AND NAME HA   ) (RESID  87 AND NAME HB*  )  0.00 0.00 3.50  !derived from H33
ASSIGN (RESID  87 AND NAME HA   ) (RESID  87 AND NAME HD2  )  0.00 0.00 5.50  
ASSIGN (RESID  87 AND NAME HA   ) (RESID  88 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  87 AND NAME HA   ) (RESID 100 AND NAME HG*  )  0.00 0.00 5.80  !derived from Q2
ASSIGN (RESID  87 AND NAME HB*  ) (RESID  87 AND NAME HD2  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  87 AND NAME HB*  ) (RESID  88 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  87 AND NAME HB*  ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  87 AND NAME HB*  ) (RESID  87 AND NAME HD2  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  87 AND NAME HB*  ) (RESID  87 AND NAME HE1  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  87 AND NAME HB*  ) (RESID  88 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  87 AND NAME HB*  ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  88 AND NAME HN   ) (RESID  88 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  88 AND NAME HN   ) (RESID  88 AND NAME HB   )  0.00 0.00 3.40  
ASSIGN (RESID  88 AND NAME HN   ) (RESID  88 AND NAME HG2* )  0.00 0.00 6.10  
ASSIGN (RESID  88 AND NAME HN   ) (RESID 100 AND NAME HG*  )  0.00 0.00 5.70  !derived from Q2
ASSIGN (RESID  88 AND NAME HA   ) (RESID  88 AND NAME HB   )  0.00 0.00 4.60  
ASSIGN (RESID  88 AND NAME HA   ) (RESID  88 AND NAME HG2* )  0.00 0.00 4.80  
ASSIGN (RESID  88 AND NAME HA   ) (RESID  89 AND NAME HN   )  0.00 0.00 2.70  
ASSIGN (RESID  88 AND NAME HA   ) (RESID  89 AND NAME HB*  )  0.00 0.00 4.50  !derived from H23
ASSIGN (RESID  88 AND NAME HA   ) (RESID  89 AND NAME HB*  )  0.00 0.00 4.00  !derived from H33
ASSIGN (RESID  88 AND NAME HA   ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  88 AND NAME HB   ) (RESID  88 AND NAME HG2* )  0.00 0.00 5.00  
ASSIGN (RESID  88 AND NAME HG2* ) (RESID  89 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  88 AND NAME HG2* ) (RESID  90 AND NAME HD2* )  0.00 0.00 7.50  
ASSIGN (RESID  89 AND NAME HN   ) (RESID  89 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID  89 AND NAME HN   ) (RESID  89 AND NAME HB*  )  0.00 0.00 2.90  !derived from H23
ASSIGN (RESID  89 AND NAME HN   ) (RESID  89 AND NAME HB*  )  0.00 0.00 3.00  !derived from H33
ASSIGN (RESID  89 AND NAME HN   ) (RESID  90 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  89 AND NAME HN   ) (RESID  91 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  89 AND NAME HN   ) (RESID 100 AND NAME HG*  )  0.00 0.00 4.80  !derived from Q2
ASSIGN (RESID  89 AND NAME HA   ) (RESID  89 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID  89 AND NAME HA   ) (RESID  89 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  89 AND NAME HA   ) (RESID  90 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  89 AND NAME HA   ) (RESID  90 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  89 AND NAME HA   ) (RESID  90 AND NAME HD1* )  0.00 0.00 6.40  
ASSIGN (RESID  89 AND NAME HA   ) (RESID  90 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  89 AND NAME HA   ) (RESID  91 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  89 AND NAME HA   ) (RESID 100 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID  89 AND NAME HA   ) (RESID 100 AND NAME HG*  )  0.00 0.00 5.10  !derived from Q2
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  90 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  91 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  91 AND NAME HG1* )  0.00 0.00 6.00  !derived from H23
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  91 AND NAME HG2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  89 AND NAME HB*  ) (RESID 100 AND NAME HG*  )  0.00 0.00 5.60  !derived from Q2
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  90 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  91 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  91 AND NAME HG1* )  0.00 0.00 5.70  !derived from H33
ASSIGN (RESID  89 AND NAME HB*  ) (RESID  91 AND NAME HG2* )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  89 AND NAME HB*  ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  90 AND NAME HN   ) (RESID  90 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  90 AND NAME HN   ) (RESID  90 AND NAME HB*  )  0.00 0.00 3.40  !derived from H23
ASSIGN (RESID  90 AND NAME HN   ) (RESID  90 AND NAME HB*  )  0.00 0.00 3.80  !derived from H33
ASSIGN (RESID  90 AND NAME HN   ) (RESID  90 AND NAME HG   )  0.00 0.00 4.10  
ASSIGN (RESID  90 AND NAME HN   ) (RESID  90 AND NAME HD1* )  0.00 0.00 5.90  
ASSIGN (RESID  90 AND NAME HN   ) (RESID  90 AND NAME HD2* )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HN   ) (RESID  91 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HN   ) (RESID  99 AND NAME HN   )  0.00 0.00 2.80  
ASSIGN (RESID  90 AND NAME HN   ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HN   ) (RESID 100 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID  90 AND NAME HN   ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  90 AND NAME HA   ) (RESID  90 AND NAME HB*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  90 AND NAME HA   ) (RESID  90 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  90 AND NAME HA   ) (RESID  90 AND NAME HG   )  0.00 0.00 4.50  
ASSIGN (RESID  90 AND NAME HA   ) (RESID  90 AND NAME HD1* )  0.00 0.00 5.80  
ASSIGN (RESID  90 AND NAME HA   ) (RESID  90 AND NAME HD2* )  0.00 0.00 5.50  
ASSIGN (RESID  90 AND NAME HA   ) (RESID  91 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  90 AND NAME HB*  ) (RESID  90 AND NAME HG   )  0.00 0.00 4.10  
ASSIGN (RESID  90 AND NAME HB*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID  90 AND NAME HB*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 5.30  !derived from H23
ASSIGN (RESID  90 AND NAME HB*  ) (RESID  90 AND NAME HG   )  0.00 0.00 4.50  
ASSIGN (RESID  90 AND NAME HB*  ) (RESID  90 AND NAME HD1* )  0.00 0.00 4.90  !derived from H33
ASSIGN (RESID  90 AND NAME HB*  ) (RESID  90 AND NAME HD2* )  0.00 0.00 5.00  !derived from H33
ASSIGN (RESID  90 AND NAME HG   ) (RESID  90 AND NAME HD1* )  0.00 0.00 4.20  
ASSIGN (RESID  90 AND NAME HG   ) (RESID  90 AND NAME HD2* )  0.00 0.00 4.70  
ASSIGN (RESID  90 AND NAME HG   ) (RESID  91 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  90 AND NAME HG   ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HG   ) (RESID 101 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID  91 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID  98 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID  99 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID 100 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID 100 AND NAME HA   )  0.00 0.00 5.90  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID 101 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID 101 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD1* ) (RESID 101 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  90 AND NAME HD1* ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.30  !derived from Q1
ASSIGN (RESID  90 AND NAME HD1* ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.20  !derived from Q2
ASSIGN (RESID  90 AND NAME HD2* ) (RESID  91 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD2* ) (RESID  97 AND NAME HD*  )  0.00 0.00 7.00  !derived from Q1
ASSIGN (RESID  90 AND NAME HD2* ) (RESID  97 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  90 AND NAME HD2* ) (RESID  99 AND NAME HG1* )  0.00 0.00 7.40  !derived from Q2
ASSIGN (RESID  90 AND NAME HD2* ) (RESID  99 AND NAME HG2* )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  90 AND NAME HD2* ) (RESID 100 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  90 AND NAME HD2* ) (RESID 101 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD2* ) (RESID 101 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  90 AND NAME HD2* ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.60  !derived from Q1
ASSIGN (RESID  90 AND NAME HD2* ) (RESID 101 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q2
ASSIGN (RESID  91 AND NAME HN   ) (RESID  91 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  91 AND NAME HN   ) (RESID  91 AND NAME HB   )  0.00 0.00 3.10  
ASSIGN (RESID  91 AND NAME HN   ) (RESID  91 AND NAME HG1* )  0.00 0.00 4.80  
ASSIGN (RESID  91 AND NAME HN   ) (RESID  91 AND NAME HG2* )  0.00 0.00 5.50  
ASSIGN (RESID  91 AND NAME HN   ) (RESID  98 AND NAME HA   )  0.00 0.00 3.20  
ASSIGN (RESID  91 AND NAME HN   ) (RESID  98 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  91 AND NAME HA   ) (RESID  91 AND NAME HB   )  0.00 0.00 3.80  
ASSIGN (RESID  91 AND NAME HA   ) (RESID  91 AND NAME HG1* )  0.00 0.00 5.40  
ASSIGN (RESID  91 AND NAME HA   ) (RESID  91 AND NAME HG2* )  0.00 0.00 4.70  
ASSIGN (RESID  91 AND NAME HA   ) (RESID  95 AND NAME HA   )  0.00 0.00 4.00  
ASSIGN (RESID  91 AND NAME HA   ) (RESID  96 AND NAME HA   )  0.00 0.00 3.90  
ASSIGN (RESID  91 AND NAME HA   ) (RESID  97 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID  91 AND NAME HA   ) (RESID  97 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  91 AND NAME HA   ) (RESID  97 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  91 AND NAME HA   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  91 AND NAME HA   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  91 AND NAME HA   ) (RESID  98 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID  91 AND NAME HB   ) (RESID  91 AND NAME HG1* )  0.00 0.00 4.50  
ASSIGN (RESID  91 AND NAME HB   ) (RESID  91 AND NAME HG2* )  0.00 0.00 4.50  
ASSIGN (RESID  91 AND NAME HB   ) (RESID  98 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  91 AND NAME HB   ) (RESID  98 AND NAME HB*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID  91 AND NAME HG1* ) (RESID  95 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  91 AND NAME HG1* ) (RESID  98 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  91 AND NAME HG1* ) (RESID  98 AND NAME HA   )  0.00 0.00 6.00  
ASSIGN (RESID  91 AND NAME HG1* ) (RESID  98 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID  91 AND NAME HG1* ) (RESID  98 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID  91 AND NAME HG1* ) (RESID  98 AND NAME HD2* )  0.00 0.00 6.50  !derived from H13
ASSIGN (RESID  91 AND NAME HG1* ) (RESID  98 AND NAME HD2* )  0.00 0.00 5.80  !derived from H23
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  95 AND NAME HA   )  0.00 0.00 4.60  
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  95 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  96 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  97 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  98 AND NAME HN   )  0.00 0.00 4.80  
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  98 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  98 AND NAME HB*  )  0.00 0.00 6.30  !derived from H23
ASSIGN (RESID  91 AND NAME HG2* ) (RESID  98 AND NAME HB*  )  0.00 0.00 5.80  !derived from H33
ASSIGN (RESID  92 AND NAME HA   ) (RESID  92 AND NAME HB*  )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID  92 AND NAME HA   ) (RESID  92 AND NAME HB*  )  0.00 0.00 5.00  !derived from H33
ASSIGN (RESID  92 AND NAME HA   ) (RESID  92 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID  92 AND NAME HB*  ) (RESID  92 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  92 AND NAME HB*  ) (RESID  92 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID  94 AND NAME HA   ) (RESID  94 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  94 AND NAME HD2* )  0.00 0.00 4.80  !derived from H13
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  94 AND NAME HD2* )  0.00 0.00 5.10  !derived from H23
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  97 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 5.40  !derived from Q1
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  94 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  94 AND NAME HD2* )  0.00 0.00 5.00  !derived from H23
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  97 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 5.70  !derived from Q1
ASSIGN (RESID  94 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  94 AND NAME HD2* ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  94 AND NAME HD2* ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  95 AND NAME HN   ) (RESID  95 AND NAME HA   )  0.00 0.00 4.40  
ASSIGN (RESID  95 AND NAME HN   ) (RESID  95 AND NAME HB*  )  0.00 0.00 5.10  !derived from H3
ASSIGN (RESID  95 AND NAME HN   ) (RESID  96 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID  95 AND NAME HA   ) (RESID  95 AND NAME HB*  )  0.00 0.00 4.10  !derived from H3
ASSIGN (RESID  95 AND NAME HA   ) (RESID  96 AND NAME HN   )  0.00 0.00 3.60  
ASSIGN (RESID  95 AND NAME HB*  ) (RESID  96 AND NAME HN   )  0.00 0.00 5.20  
ASSIGN (RESID  96 AND NAME HN   ) (RESID  96 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID  96 AND NAME HN   ) (RESID  96 AND NAME HB*  )  0.00 0.00 4.00  !derived from H3
ASSIGN (RESID  96 AND NAME HN   ) (RESID  97 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID  96 AND NAME HN   ) (RESID  97 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID  96 AND NAME HN   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  96 AND NAME HA   ) (RESID  96 AND NAME HB*  )  0.00 0.00 3.70  !derived from H3
ASSIGN (RESID  96 AND NAME HA   ) (RESID  97 AND NAME HN   )  0.00 0.00 3.50  
ASSIGN (RESID  96 AND NAME HA   ) (RESID  98 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  96 AND NAME HB*  ) (RESID  97 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  96 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  96 AND NAME HB*  ) (RESID  98 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  97 AND NAME HN   ) (RESID  97 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  97 AND NAME HN   ) (RESID  97 AND NAME HB*  )  0.00 0.00 3.50  !derived from H23
ASSIGN (RESID  97 AND NAME HN   ) (RESID  97 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID  97 AND NAME HN   ) (RESID  97 AND NAME HG   )  0.00 0.00 3.80  
ASSIGN (RESID  97 AND NAME HN   ) (RESID  97 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q1
ASSIGN (RESID  97 AND NAME HN   ) (RESID  97 AND NAME HD*  )  0.00 0.00 5.60  !derived from Q2
ASSIGN (RESID  97 AND NAME HN   ) (RESID  98 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID  97 AND NAME HN   ) (RESID  98 AND NAME HB*  )  0.00 0.00 4.50  !derived from H33
ASSIGN (RESID  97 AND NAME HA   ) (RESID  97 AND NAME HB*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID  97 AND NAME HA   ) (RESID  97 AND NAME HB*  )  0.00 0.00 4.10  !derived from H33
ASSIGN (RESID  97 AND NAME HA   ) (RESID  97 AND NAME HG   )  0.00 0.00 5.20  
ASSIGN (RESID  97 AND NAME HA   ) (RESID  97 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID  97 AND NAME HA   ) (RESID  97 AND NAME HD*  )  0.00 0.00 4.70  !derived from Q2
ASSIGN (RESID  97 AND NAME HA   ) (RESID  98 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  97 AND NAME HG   )  0.00 0.00 4.30  
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q1
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 4.40  !derived from Q2
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  98 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  97 AND NAME HG   )  0.00 0.00 4.20  
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 4.70  !derived from Q1
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  97 AND NAME HD*  )  0.00 0.00 5.30  !derived from Q2
ASSIGN (RESID  97 AND NAME HB*  ) (RESID  98 AND NAME HN   )  0.00 0.00 5.40  
ASSIGN (RESID  97 AND NAME HG   ) (RESID  97 AND NAME HD*  )  0.00 0.00 3.90  !derived from Q1
ASSIGN (RESID  97 AND NAME HG   ) (RESID  97 AND NAME HD*  )  0.00 0.00 4.50  !derived from Q2
ASSIGN (RESID  97 AND NAME HD*  ) (RESID  98 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  97 AND NAME HD*  ) (RESID  98 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID  98 AND NAME HN   ) (RESID  98 AND NAME HA   )  0.00 0.00 4.40  
ASSIGN (RESID  98 AND NAME HN   ) (RESID  98 AND NAME HB*  )  0.00 0.00 2.90  !derived from H23
ASSIGN (RESID  98 AND NAME HN   ) (RESID  98 AND NAME HB*  )  0.00 0.00 3.30  !derived from H33
ASSIGN (RESID  98 AND NAME HN   ) (RESID  99 AND NAME HB   )  0.00 0.00 5.20  
ASSIGN (RESID  98 AND NAME HN   ) (RESID  99 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID  98 AND NAME HN   ) (RESID  99 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID  98 AND NAME HA   ) (RESID  98 AND NAME HB*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID  98 AND NAME HA   ) (RESID  98 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID  98 AND NAME HA   ) (RESID  98 AND NAME HD2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID  98 AND NAME HA   ) (RESID  99 AND NAME HN   )  0.00 0.00 3.30  
ASSIGN (RESID  98 AND NAME HB*  ) (RESID  98 AND NAME HD2* )  0.00 0.00 4.80  !derived from H13
ASSIGN (RESID  98 AND NAME HB*  ) (RESID  98 AND NAME HD2* )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID  98 AND NAME HB*  ) (RESID  98 AND NAME HD2* )  0.00 0.00 5.30  !derived from H13
ASSIGN (RESID  98 AND NAME HB*  ) (RESID  98 AND NAME HD2* )  0.00 0.00 5.30  !derived from H23
ASSIGN (RESID  98 AND NAME HB*  ) (RESID  99 AND NAME HN   )  0.00 0.00 4.90  
ASSIGN (RESID  99 AND NAME HN   ) (RESID  99 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID  99 AND NAME HN   ) (RESID  99 AND NAME HB   )  0.00 0.00 4.30  
ASSIGN (RESID  99 AND NAME HN   ) (RESID  99 AND NAME HG1* )  0.00 0.00 5.20  
ASSIGN (RESID  99 AND NAME HN   ) (RESID  99 AND NAME HG2* )  0.00 0.00 5.90  
ASSIGN (RESID  99 AND NAME HA   ) (RESID  99 AND NAME HB   )  0.00 0.00 3.50  
ASSIGN (RESID  99 AND NAME HA   ) (RESID  99 AND NAME HG1* )  0.00 0.00 5.00  
ASSIGN (RESID  99 AND NAME HA   ) (RESID  99 AND NAME HG2* )  0.00 0.00 4.50  
ASSIGN (RESID  99 AND NAME HA   ) (RESID 100 AND NAME HN   )  0.00 0.00 2.70  
ASSIGN (RESID  99 AND NAME HA   ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  99 AND NAME HB   ) (RESID  99 AND NAME HG1* )  0.00 0.00 4.50  
ASSIGN (RESID  99 AND NAME HB   ) (RESID  99 AND NAME HG2* )  0.00 0.00 4.70  
ASSIGN (RESID  99 AND NAME HB   ) (RESID 100 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  99 AND NAME HB   ) (RESID 100 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID  99 AND NAME HG1* ) (RESID 100 AND NAME HN   )  0.00 0.00 4.70  
ASSIGN (RESID  99 AND NAME HG1* ) (RESID 100 AND NAME HB   )  0.00 0.00 6.50  
ASSIGN (RESID  99 AND NAME HG1* ) (RESID 101 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q1
ASSIGN (RESID  99 AND NAME HG2* ) (RESID 100 AND NAME HN   )  0.00 0.00 3.80  
ASSIGN (RESID  99 AND NAME HG2* ) (RESID 101 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q2
ASSIGN (RESID  99 AND NAME HG2* ) (RESID 102 AND NAME HB*  )  0.00 0.00 7.50  !derived from H3
ASSIGN (RESID 100 AND NAME HN   ) (RESID 100 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID 100 AND NAME HN   ) (RESID 100 AND NAME HB   )  0.00 0.00 3.90  
ASSIGN (RESID 100 AND NAME HN   ) (RESID 100 AND NAME HG*  )  0.00 0.00 4.10  !derived from Q2
ASSIGN (RESID 100 AND NAME HA   ) (RESID 100 AND NAME HB   )  0.00 0.00 3.60  
ASSIGN (RESID 100 AND NAME HA   ) (RESID 100 AND NAME HG*  )  0.00 0.00 4.50  !derived from Q2
ASSIGN (RESID 100 AND NAME HA   ) (RESID 101 AND NAME HN   )  0.00 0.00 3.20  
ASSIGN (RESID 100 AND NAME HB   ) (RESID 100 AND NAME HG*  )  0.00 0.00 4.50  !derived from Q2
ASSIGN (RESID 100 AND NAME HB   ) (RESID 101 AND NAME HN   )  0.00 0.00 3.70  
ASSIGN (RESID 100 AND NAME HB   ) (RESID 101 AND NAME HB*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID 100 AND NAME HB   ) (RESID 101 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID 100 AND NAME HB   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID 100 AND NAME HG*  ) (RESID 101 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID 101 AND NAME HN   ) (RESID 101 AND NAME HA   )  0.00 0.00 3.10  
ASSIGN (RESID 101 AND NAME HN   ) (RESID 101 AND NAME HB*  )  0.00 0.00 3.30  !derived from H23
ASSIGN (RESID 101 AND NAME HN   ) (RESID 101 AND NAME HB*  )  0.00 0.00 3.90  !derived from H33
ASSIGN (RESID 101 AND NAME HN   ) (RESID 101 AND NAME HG   )  0.00 0.00 3.70  
ASSIGN (RESID 101 AND NAME HN   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID 101 AND NAME HN   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.40  !derived from Q2
ASSIGN (RESID 101 AND NAME HA   ) (RESID 101 AND NAME HB*  )  0.00 0.00 4.20  !derived from H23
ASSIGN (RESID 101 AND NAME HA   ) (RESID 101 AND NAME HB*  )  0.00 0.00 4.20  !derived from H33
ASSIGN (RESID 101 AND NAME HA   ) (RESID 101 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID 101 AND NAME HA   ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q1
ASSIGN (RESID 101 AND NAME HA   ) (RESID 101 AND NAME HD*  )  0.00 0.00 4.90  !derived from Q2
ASSIGN (RESID 101 AND NAME HA   ) (RESID 102 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID 101 AND NAME HA   ) (RESID 103 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID 101 AND NAME HB*  ) (RESID 101 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID 101 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 5.70  !derived from Q1
ASSIGN (RESID 101 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 4.60  !derived from Q2
ASSIGN (RESID 101 AND NAME HB*  ) (RESID 101 AND NAME HG   )  0.00 0.00 5.50  
ASSIGN (RESID 101 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.40  !derived from Q1
ASSIGN (RESID 101 AND NAME HB*  ) (RESID 101 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q2
ASSIGN (RESID 101 AND NAME HG   ) (RESID 101 AND NAME HD*  )  0.00 0.00 5.50  !derived from Q1
ASSIGN (RESID 101 AND NAME HG   ) (RESID 101 AND NAME HD*  )  0.00 0.00 4.90  !derived from Q2
ASSIGN (RESID 102 AND NAME HN   ) (RESID 102 AND NAME HA   )  0.00 0.00 3.50  
ASSIGN (RESID 102 AND NAME HN   ) (RESID 102 AND NAME HB*  )  0.00 0.00 3.60  !derived from H3
ASSIGN (RESID 102 AND NAME HA   ) (RESID 102 AND NAME HB*  )  0.00 0.00 4.30  !derived from H3
ASSIGN (RESID 102 AND NAME HA   ) (RESID 103 AND NAME HN   )  0.00 0.00 5.00  
ASSIGN (RESID 102 AND NAME HB*  ) (RESID 103 AND NAME HN   )  0.00 0.00 5.50  
ASSIGN (RESID 102 AND NAME HB*  ) (RESID 103 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID 102 AND NAME HB*  ) (RESID 103 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID 102 AND NAME HB*  ) (RESID 103 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID 102 AND NAME HB*  ) (RESID 103 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID 102 AND NAME HB*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID 103 AND NAME HN   ) (RESID 103 AND NAME HA   )  0.00 0.00 3.80  
ASSIGN (RESID 103 AND NAME HN   ) (RESID 103 AND NAME HB*  )  0.00 0.00 3.80  !derived from H23
ASSIGN (RESID 103 AND NAME HN   ) (RESID 103 AND NAME HB*  )  0.00 0.00 3.50  !derived from H33
ASSIGN (RESID 103 AND NAME HA   ) (RESID 103 AND NAME HB*  )  0.00 0.00 4.10  !derived from H23
ASSIGN (RESID 103 AND NAME HA   ) (RESID 103 AND NAME HB*  )  0.00 0.00 4.50  !derived from H33
ASSIGN (RESID 103 AND NAME HA   ) (RESID 103 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID 103 AND NAME HA   ) (RESID 103 AND NAME HE*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID 103 AND NAME HA   ) (RESID 104 AND NAME HD*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID 103 AND NAME HA   ) (RESID 104 AND NAME HD*  )  0.00 0.00 4.70  !derived from H33
ASSIGN (RESID 103 AND NAME HB*  ) (RESID 103 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID 103 AND NAME HB*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID 103 AND NAME HB*  ) (RESID 103 AND NAME HD*  )  0.00 0.00 6.90  !derived from Q
ASSIGN (RESID 103 AND NAME HB*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 7.20  !derived from Q
ASSIGN (RESID 103 AND NAME HD*  ) (RESID 103 AND NAME HE*  )  0.00 0.00 8.20  !derived from Q
ASSIGN (RESID 103 AND NAME HD*  ) (RESID 105 AND NAME HA   )  0.00 0.00 7.50  
ASSIGN (RESID 104 AND NAME HA   ) (RESID 104 AND NAME HB*  )  0.00 0.00 5.30  !derived from H3
ASSIGN (RESID 104 AND NAME HA   ) (RESID 104 AND NAME HG*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID 104 AND NAME HA   ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H23
ASSIGN (RESID 104 AND NAME HA   ) (RESID 104 AND NAME HD*  )  0.00 0.00 5.50  !derived from H33
ASSIGN (RESID 104 AND NAME HA   ) (RESID 105 AND NAME HN   )  0.00 0.00 3.00  
ASSIGN (RESID 104 AND NAME HA   ) (RESID 105 AND NAME HA   )  0.00 0.00 5.00  
ASSIGN (RESID 104 AND NAME HA   ) (RESID 105 AND NAME HB   )  0.00 0.00 4.60  
ASSIGN (RESID 104 AND NAME HA   ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.50  
ASSIGN (RESID 104 AND NAME HA   ) (RESID 105 AND NAME HG2* )  0.00 0.00 6.50  
ASSIGN (RESID 104 AND NAME HB*  ) (RESID 104 AND NAME HG*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID 104 AND NAME HB*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID 104 AND NAME HB*  ) (RESID 104 AND NAME HD*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID 104 AND NAME HB*  ) (RESID 105 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID 104 AND NAME HB*  ) (RESID 107 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID 104 AND NAME HD*  ) (RESID 107 AND NAME HB*  )  0.00 0.00 5.70  !derived from H3
ASSIGN (RESID 105 AND NAME HN   ) (RESID 105 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID 105 AND NAME HN   ) (RESID 105 AND NAME HB   )  0.00 0.00 3.50  
ASSIGN (RESID 105 AND NAME HN   ) (RESID 105 AND NAME HG1* )  0.00 0.00 4.50  
ASSIGN (RESID 105 AND NAME HN   ) (RESID 105 AND NAME HG2* )  0.00 0.00 5.10  
ASSIGN (RESID 105 AND NAME HN   ) (RESID 106 AND NAME HN   )  0.00 0.00 4.00  
ASSIGN (RESID 105 AND NAME HA   ) (RESID 105 AND NAME HB   )  0.00 0.00 3.60  
ASSIGN (RESID 105 AND NAME HA   ) (RESID 105 AND NAME HG1* )  0.00 0.00 6.10  
ASSIGN (RESID 105 AND NAME HA   ) (RESID 105 AND NAME HG2* )  0.00 0.00 4.70  
ASSIGN (RESID 105 AND NAME HA   ) (RESID 106 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID 105 AND NAME HA   ) (RESID 107 AND NAME HN   )  0.00 0.00 4.50  
ASSIGN (RESID 105 AND NAME HB   ) (RESID 105 AND NAME HG1* )  0.00 0.00 4.70  
ASSIGN (RESID 105 AND NAME HB   ) (RESID 105 AND NAME HG2* )  0.00 0.00 4.50  
ASSIGN (RESID 105 AND NAME HG1* ) (RESID 106 AND NAME HN   )  0.00 0.00 4.10  
ASSIGN (RESID 105 AND NAME HG1* ) (RESID 106 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID 105 AND NAME HG1* ) (RESID 106 AND NAME HB*  )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID 105 AND NAME HG1* ) (RESID 106 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID 105 AND NAME HG1* ) (RESID 106 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID 105 AND NAME HG1* ) (RESID 106 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID 105 AND NAME HG1* ) (RESID 107 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID 105 AND NAME HG2* ) (RESID 106 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID 105 AND NAME HG2* ) (RESID 106 AND NAME HA   )  0.00 0.00 6.50  
ASSIGN (RESID 105 AND NAME HG2* ) (RESID 106 AND NAME HB*  )  0.00 0.00 6.50  !derived from H33
ASSIGN (RESID 105 AND NAME HG2* ) (RESID 106 AND NAME HD*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID 105 AND NAME HG2* ) (RESID 106 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID 106 AND NAME HN   ) (RESID 106 AND NAME HA   )  0.00 0.00 3.60  
ASSIGN (RESID 106 AND NAME HN   ) (RESID 106 AND NAME HB*  )  0.00 0.00 3.00  !derived from H23
ASSIGN (RESID 106 AND NAME HN   ) (RESID 106 AND NAME HB*  )  0.00 0.00 3.40  !derived from H33
ASSIGN (RESID 106 AND NAME HN   ) (RESID 106 AND NAME HD*  )  0.00 0.00 6.80  !derived from Q
ASSIGN (RESID 106 AND NAME HN   ) (RESID 107 AND NAME HN   )  0.00 0.00 3.10  
ASSIGN (RESID 106 AND NAME HN   ) (RESID 107 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID 106 AND NAME HN   ) (RESID 107 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID 106 AND NAME HA   ) (RESID 106 AND NAME HB*  )  0.00 0.00 4.00  !derived from H23
ASSIGN (RESID 106 AND NAME HA   ) (RESID 106 AND NAME HB*  )  0.00 0.00 3.70  !derived from H33
ASSIGN (RESID 106 AND NAME HA   ) (RESID 106 AND NAME HD*  )  0.00 0.00 5.20  !derived from Q
ASSIGN (RESID 106 AND NAME HA   ) (RESID 106 AND NAME HE*  )  0.00 0.00 6.10  !derived from Q
ASSIGN (RESID 106 AND NAME HA   ) (RESID 107 AND NAME HN   )  0.00 0.00 3.40  
ASSIGN (RESID 106 AND NAME HA   ) (RESID 107 AND NAME HB*  )  0.00 0.00 6.50  !derived from H3
ASSIGN (RESID 106 AND NAME HB*  ) (RESID 106 AND NAME HD*  )  0.00 0.00 7.00  !derived from Q
ASSIGN (RESID 106 AND NAME HB*  ) (RESID 106 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID 106 AND NAME HB*  ) (RESID 107 AND NAME HN   )  0.00 0.00 4.20  
ASSIGN (RESID 106 AND NAME HB*  ) (RESID 106 AND NAME HD*  )  0.00 0.00 7.00  !derived from Q
ASSIGN (RESID 106 AND NAME HB*  ) (RESID 106 AND NAME HE*  )  0.00 0.00 7.50  !derived from Q
ASSIGN (RESID 106 AND NAME HB*  ) (RESID 107 AND NAME HN   )  0.00 0.00 4.30  
ASSIGN (RESID 106 AND NAME HD*  ) (RESID 106 AND NAME HE*  )  0.00 0.00 8.50  !derived from Q
ASSIGN (RESID 106 AND NAME HD*  ) (RESID 107 AND NAME HN   )  0.00 0.00 7.50  
ASSIGN (RESID 107 AND NAME HN   ) (RESID 107 AND NAME HA   )  0.00 0.00 3.30  
ASSIGN (RESID 107 AND NAME HN   ) (RESID 107 AND NAME HB*  )  0.00 0.00 3.30  !derived from H3
ASSIGN (RESID 107 AND NAME HA   ) (RESID 107 AND NAME HB*  )  0.00 0.00 4.30  !derived from H3
ASSIGN (RESID 107 AND NAME HA   ) (RESID 108 AND NAME HN   )  0.00 0.00 4.60  
ASSIGN (RESID 107 AND NAME HB*  ) (RESID 108 AND NAME HN   )  0.00 0.00 6.50  
ASSIGN (RESID 108 AND NAME HN   ) (RESID 108 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID 108 AND NAME HN   ) (RESID 108 AND NAME HB*  )  0.00 0.00 6.10  !derived from H3
ASSIGN (RESID 108 AND NAME HA   ) (RESID 108 AND NAME HB*  )  0.00 0.00 5.30  !derived from H3
ASSIGN (RESID 109 AND NAME HA   ) (RESID 109 AND NAME HB*  )  0.00 0.00 2.60  !derived from H23
ASSIGN (RESID 109 AND NAME HA   ) (RESID 109 AND NAME HB*  )  0.00 0.00 2.40  !derived from H33
ASSIGN (RESID 109 AND NAME HA   ) (RESID 109 AND NAME HG*  )  0.00 0.00 3.70  !derived from Q
ASSIGN (RESID 109 AND NAME HA   ) (RESID 109 AND NAME HE2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID 109 AND NAME HB*  ) (RESID 109 AND NAME HG*  )  0.00 0.00 3.70  !derived from Q
ASSIGN (RESID 109 AND NAME HB*  ) (RESID 109 AND NAME HE2* )  0.00 0.00 5.10  !derived from H13
ASSIGN (RESID 109 AND NAME HB*  ) (RESID 109 AND NAME HG*  )  0.00 0.00 3.70  !derived from Q
ASSIGN (RESID 109 AND NAME HB*  ) (RESID 109 AND NAME HE2* )  0.00 0.00 5.50  !derived from H13
ASSIGN (RESID 109 AND NAME HG*  ) (RESID 109 AND NAME HE2* )  0.00 0.00 5.30  !derived from H13
ASSIGN (RESID 109 AND NAME HG*  ) (RESID 109 AND NAME HE2* )  0.00 0.00 6.50  !derived from H23
ASSIGN (RESID 110 AND NAME HN   ) (RESID 110 AND NAME HA   )  0.00 0.00 5.50  
ASSIGN (RESID 111 AND NAME HN   ) (RESID 111 AND NAME HA   )  0.00 0.00 3.40  
ASSIGN (RESID 111 AND NAME HN   ) (RESID 111 AND NAME HB*  )  0.00 0.00 4.60  !derived from H23
ASSIGN (RESID 111 AND NAME HN   ) (RESID 111 AND NAME HB*  )  0.00 0.00 4.30  !derived from H33
ASSIGN (RESID 111 AND NAME HN   ) (RESID 111 AND NAME HG*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID 111 AND NAME HA   ) (RESID 111 AND NAME HB*  )  0.00 0.00 3.00  !derived from H23
ASSIGN (RESID 111 AND NAME HA   ) (RESID 111 AND NAME HB*  )  0.00 0.00 3.20  !derived from H33
ASSIGN (RESID 111 AND NAME HA   ) (RESID 111 AND NAME HG*  )  0.00 0.00 5.00  !derived from Q
ASSIGN (RESID 111 AND NAME HA   ) (RESID 111 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID 111 AND NAME HB*  ) (RESID 111 AND NAME HG*  )  0.00 0.00 3.50  !derived from Q
ASSIGN (RESID 111 AND NAME HB*  ) (RESID 111 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID 111 AND NAME HB*  ) (RESID 111 AND NAME HG*  )  0.00 0.00 3.50  !derived from Q
ASSIGN (RESID 111 AND NAME HB*  ) (RESID 111 AND NAME HD*  )  0.00 0.00 6.50  !derived from Q
ASSIGN (RESID 111 AND NAME HG*  ) (RESID 111 AND NAME HD*  )  0.00 0.00 7.50  !derived from Q

!Following are hydrogen bond constraints
assign (resid   5 and  name HN   )(resid     3 and  name O    ) 2.3 0.8 0.2
assign (resid   5 and  name N    )(resid     3 and  name O    ) 3.3 0.8 0.2
assign (resid   6 and  name HN   )(resid     3 and  name O    ) 2.3 0.8 0.2
assign (resid   6 and  name N    )(resid     3 and  name O    ) 3.3 0.8 0.2
assign (resid   10 and  name HN  )(resid     7 and  name O    ) 2.3 0.8 0.2
assign (resid   10 and  name N   )(resid     7 and  name O    ) 3.3 0.8 0.2
assign (resid   11 and  name HN  )(resid     8 and  name O    ) 2.3 0.8 0.2
assign (resid   11 and  name N   )(resid     8 and  name O    ) 3.3 0.8 0.2
assign (resid   11 and  name HE1  )(resid    4 and  name O    ) 2.3 0.8 0.2
assign (resid   11 and  name NE1  )(resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid   13 and  name HN   )(resid   35 and  name O    ) 2.3 0.8 0.2
assign (resid   13 and  name N    )(resid   35 and  name O    ) 3.3 0.8 0.2
assign (resid   22 and  name HN   )(resid   18 and  name O    ) 2.3 0.8 0.2
assign (resid   22 and  name N    )(resid   18 and  name O    ) 3.3 0.8 0.2
assign (resid   23 and  name HN   )(resid   19 and  name O    ) 2.3 0.8 0.2
assign (resid   23 and  name N    )(resid   19 and  name O    ) 3.3 0.8 0.2
assign (resid   24 and  name HN   )(resid   20 and  name O    ) 2.3 0.8 0.2
assign (resid   24 and  name N    )(resid   20 and  name O    ) 3.3 0.8 0.2
assign (resid   25 and  name HN   )(resid   21 and  name O    ) 2.3 0.8 0.2
assign (resid   25 and  name N    )(resid   21 and  name O    ) 3.3 0.8 0.2
assign (resid   26 and  name HN   )(resid   22 and  name O    ) 2.3 0.8 0.2
assign (resid   26 and  name N    )(resid   22 and  name O    ) 3.3 0.8 0.2
assign (resid   26 and  name HN   )(resid   23 and  name O    ) 2.3 0.8 0.2
assign (resid   26 and  name N    )(resid   23 and  name O    ) 3.3 0.8 0.2
assign (resid   31 and  name HN   )(resid   49 and  name O    ) 2.3 0.8 0.2
assign (resid   31 and  name N    )(resid   49 and  name O    ) 3.3 0.8 0.2
assign (resid   33 and  name HN   )(resid  103 and  name O    ) 2.3 0.8 0.2
assign (resid   33 and  name N    )(resid  103 and  name O    ) 3.3 0.8 0.2
assign (resid   34 and  name HN   )(resid   47 and  name O    ) 2.3 0.8 0.2
assign (resid   34 and  name N    )(resid   47 and  name O    ) 3.3 0.8 0.2
assign (resid   35 and  name HN   )(resid   11 and  name O    ) 2.3 0.8 0.2
assign (resid   35 and  name N    )(resid   11 and  name O    ) 3.3 0.8 0.2
assign (resid   36 and  name HN   )(resid   45 and  name O    ) 2.3 0.8 0.2
assign (resid   36 and  name N    )(resid   45 and  name O    ) 3.3 0.8 0.2
assign (resid   44 and  name HN   )(resid   59 and  name O    ) 2.3 0.8 0.2
assign (resid   44 and  name N    )(resid   59 and  name O    ) 3.3 0.8 0.2
assign (resid   45 and  name HN   )(resid   36 and  name O    ) 2.3 0.8 0.2
assign (resid   45 and  name N    )(resid   36 and  name O    ) 3.3 0.8 0.2
assign (resid   46 and  name HN   )(resid   57 and  name O    ) 2.3 0.8 0.2
assign (resid   46 and  name N    )(resid   57 and  name O    ) 3.3 0.8 0.2
assign (resid   48 and  name HN   )(resid   55 and  name O    ) 2.3 0.8 0.2
assign (resid   48 and  name N    )(resid   55 and  name O    ) 3.3 0.8 0.2
assign (resid   50 and  name HN   )(resid   53 and  name O    ) 2.3 0.8 0.2
assign (resid   50 and  name N    )(resid   53 and  name O    ) 3.3 0.8 0.2
assign (resid   52 and  name HN   )(resid   50 and  name O    ) 2.3 0.8 0.2
assign (resid   52 and  name N    )(resid   50 and  name O    ) 3.3 0.8 0.2
assign (resid   53 and  name HN   )(resid   50 and  name O    ) 2.3 0.8 0.2
assign (resid   53 and  name N    )(resid   50 and  name O    ) 3.3 0.8 0.2
assign (resid   55 and  name HN   )(resid   48 and  name O    ) 2.3 0.8 0.2
assign (resid   55 and  name N    )(resid   48 and  name O    ) 3.3 0.8 0.2
assign (resid   57 and  name HN   )(resid   46 and  name O    ) 2.3 0.8 0.2
assign (resid   57 and  name N    )(resid   46 and  name O    ) 3.3 0.8 0.2
assign (resid   59 and  name HN   )(resid   44 and  name O    ) 2.3 0.8 0.2
assign (resid   59 and  name N    )(resid   44 and  name O    ) 3.3 0.8 0.2
assign (resid   60 and  name HN   )(resid   66 and  name O    ) 2.3 0.8 0.2
assign (resid   60 and  name N    )(resid   66 and  name O    ) 3.3 0.8 0.2
assign (resid   66 and  name HN   )(resid   60 and  name O    ) 2.3 0.8 0.2
assign (resid   66 and  name N    )(resid   60 and  name O    ) 3.3 0.8 0.2
assign (resid   81 and  name HN   )(resid   77 and  name O    ) 2.3 0.8 0.2
assign (resid   81 and  name N    )(resid   77 and  name O    ) 3.3 0.8 0.2
assign (resid   82 and  name HN   )(resid   78 and  name O    ) 2.3 0.8 0.2
assign (resid   82 and  name N    )(resid   78 and  name O    ) 3.3 0.8 0.2
assign (resid   83 and  name HN   )(resid   79 and  name O    ) 2.3 0.8 0.2
assign (resid   83 and  name N    )(resid   79 and  name O    ) 3.3 0.8 0.2
assign (resid   84 and  name HN   )(resid   80 and  name O    ) 2.3 0.8 0.2
assign (resid   84 and  name N    )(resid   80 and  name O    ) 3.3 0.8 0.2
assign (resid   85 and  name HN   )(resid   81 and  name O    ) 2.3 0.8 0.2
assign (resid   85 and  name N    )(resid   81 and  name O    ) 3.3 0.8 0.2
assign (resid   86 and  name HN   )(resid   82 and  name O    ) 2.3 0.8 0.2
assign (resid   86 and  name N    )(resid   82 and  name O    ) 3.3 0.8 0.2
assign (resid   86 and  name HN   )(resid   83 and  name O    ) 2.3 0.8 0.2
assign (resid   86 and  name N    )(resid   83 and  name O    ) 3.3 0.8 0.2
assign (resid   90 and  name HN   )(resid   99 and  name O    ) 2.3 0.8 0.2
assign (resid   90 and  name N    )(resid   99 and  name O    ) 3.3 0.8 0.2
assign (resid   97 and  name HN   )(resid   91 and  name O    ) 2.3 0.8 0.2
assign (resid   97 and  name N    )(resid   91 and  name O    ) 3.3 0.8 0.2
assign (resid   98 and  name HN   )(resid   96 and  name O    ) 2.3 0.8 0.2
assign (resid   98 and  name N    )(resid   96 and  name O    ) 3.3 0.8 0.2
assign (resid   98 and  name HN   )(resid   96 and  name O    ) 2.3 0.8 0.2
assign (resid   98 and  name N    )(resid   96 and  name O    ) 3.3 0.8 0.2
assign (resid  101 and  name HN   )(resid   85 and  name O    ) 2.3 0.8 0.2
assign (resid  101 and  name N    )(resid   85 and  name O    ) 3.3 0.8 0.2
assign (resid  102 and  name HN   )(resid  100 and  name O    ) 2.3 0.8 0.2
assign (resid  102 and  name N    )(resid  100 and  name O    ) 3.3 0.8 0.2
assign (resid  105 and  name HN   )(resid   10 and  name O    ) 2.3 0.8 0.2
assign (resid  105 and  name N    )(resid   10 and  name O    ) 3.3 0.8 0.2
assign (resid  106 and  name HN   )(resid   10 and  name O    ) 2.3 0.8 0.2
assign (resid  106 and  name N    )(resid   10 and  name O    ) 3.3 0.8 0.2

!Following are dihedral angle constraints
assign (resid 10 and name c ) (resid 11 and name n) (resid 11 and name ca) (resid 11 and name c) 1 -120.0 40.0 2
assign (resid 12 and name c ) (resid 13 and name n) (resid 13 and name ca) (resid 13 and name c) 1 -120.0 40.0 2
assign (resid 29 and name c ) (resid 30 and name n) (resid 30 and name ca) (resid 30 and name c) 1 -60.0 40.0 2
assign (resid 32 and name c ) (resid 33 and name n) (resid 33 and name ca) (resid 33 and name c) 1 -120.0 40.0 2
assign (resid 34 and name c ) (resid 35 and name n) (resid 35 and name ca) (resid 35 and name c) 1 -120.0 40.0 2
assign (resid 35 and name c ) (resid 36 and name n) (resid 36 and name ca) (resid 36 and name c) 1 -120.0 40.0 2
assign (resid 37 and name c ) (resid 38 and name n) (resid 38 and name ca) (resid 38 and name c) 1 -120.0 40.0 2
assign (resid 42 and name c ) (resid 43 and name n) (resid 43 and name ca) (resid 43 and name c) 1 -120.0 40.0 2
assign (resid 43 and name c ) (resid 44 and name n) (resid 44 and name ca) (resid 44 and name c) 1 -120.0 40.0 2
assign (resid 45 and name c ) (resid 46 and name n) (resid 46 and name ca) (resid 46 and name c) 1 -120.0 40.0 2
assign (resid 46 and name c ) (resid 47 and name n) (resid 47 and name ca) (resid 47 and name c) 1 -120.0 40.0 2
assign (resid 49 and name c ) (resid 50 and name n) (resid 50 and name ca) (resid 50 and name c) 1 -120.0 40.0 2
assign (resid 52 and name c ) (resid 53 and name n) (resid 53 and name ca) (resid 53 and name c) 1 -120.0 40.0 2
assign (resid 54 and name c ) (resid 55 and name n) (resid 55 and name ca) (resid 55 and name c) 1 -120.0 40.0 2
assign (resid 55 and name c ) (resid 56 and name n) (resid 56 and name ca) (resid 56 and name c) 1 -120.0 40.0 2
assign (resid 58 and name c ) (resid 59 and name n) (resid 59 and name ca) (resid 59 and name c) 1 -120.0 40.0 2
assign (resid 59 and name c ) (resid 60 and name n) (resid 60 and name ca) (resid 60 and name c) 1 -120.0 40.0 2
assign (resid 50 and name c ) (resid 61 and name n) (resid 61 and name ca) (resid 61 and name c) 1 -120.0 40.0 2
assign (resid 61 and name c ) (resid 62 and name n) (resid 62 and name ca) (resid 62 and name c) 1 -120.0 40.0 2
assign (resid 63 and name c ) (resid 64 and name n) (resid 64 and name ca) (resid 64 and name c) 1 -120.0 40.0 2
assign (resid 87 and name c ) (resid 88 and name n) (resid 88 and name ca) (resid 88 and name c) 1 -120.0 40.0 2
assign (resid 97 and name c ) (resid 98 and name n) (resid 98 and name ca) (resid 98 and name c) 1 -120.0 40.0 2
assign (resid 99 and name c ) (resid 100 and name n) (resid 100 and name ca) (resid 100 and name c) 1 -120.0 40.0 2
assign (resid 102 and name c ) (resid 103 and name n) (resid 103 and name ca) (resid 103 and name c) 1 -120.0 40.0 2
assign (resid 105 and name c ) (resid 106 and name n) (resid 106 and name ca) (resid 106 and name c) 1 -120.0 40.0 2
end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1           HT2      GLU   1  96.992  -3.094 -16.766
    2   2H    GLU   1           HT1      GLU   1  97.914  -4.226 -17.635
    3   3H    GLU   1           HT3      GLU   1  97.703  -2.656 -18.245
    4    HA   GLU   1           HA       GLU   1  96.120  -3.644 -19.485
    5   1HB   GLU   1          2HB       GLU   1  95.870  -5.627 -17.200
    6   2HB   GLU   1          3HB       GLU   1  94.904  -5.691 -18.677
    7   1HG   GLU   1          2HG       GLU   1  97.011  -5.803 -20.006
    8   2HG   GLU   1          3HG       GLU   1  97.925  -5.860 -18.498
    9    H    ASP   2           HN       ASP   2  93.600  -4.617 -18.392
   10    HA   ASP   2           HA       ASP   2  92.361  -2.087 -17.808
   11   1HB   ASP   2          2HB       ASP   2  91.412  -4.955 -17.600
   12   2HB   ASP   2          3HB       ASP   2  90.365  -3.580 -17.247
   13    H    LEU   3           HN       LEU   3  91.616  -1.293 -15.791
   14    HA   LEU   3           HA       LEU   3  92.978  -2.482 -13.444
   15   1HB   LEU   3          2HB       LEU   3  91.482   0.135 -13.794
   16   2HB   LEU   3          3HB       LEU   3  92.267  -0.373 -12.297
   17    HG   LEU   3           HG       LEU   3  93.719  -0.153 -14.946
   18   1HD1  LEU   3          HD12      LEU   3  92.681   2.006 -13.785
   19   2HD1  LEU   3          HD11      LEU   3  94.097   1.840 -12.748
   20   3HD1  LEU   3          HD13      LEU   3  94.297   2.034 -14.490
   21   1HD2  LEU   3          HD22      LEU   3  94.519  -0.658 -12.080
   22   2HD2  LEU   3          HD21      LEU   3  94.983  -1.547 -13.529
   23   3HD2  LEU   3          HD23      LEU   3  95.669   0.046 -13.215
   24    HA   PRO   4           HA       PRO   4  89.209  -4.456 -12.236
   25   1HB   PRO   4          2HB       PRO   4  89.753  -4.836  -9.583
   26   2HB   PRO   4          3HB       PRO   4  90.478  -5.803 -10.877
   27   1HG   PRO   4          2HG       PRO   4  91.622  -3.524  -9.348
   28   2HG   PRO   4          3HG       PRO   4  92.397  -5.020  -9.898
   29   1HD   PRO   4          2HD       PRO   4  92.708  -2.623 -11.184
   30   2HD   PRO   4          3HD       PRO   4  92.803  -4.188 -12.020
   31    H    HIS   5           HN       HIS   5  90.048  -1.364 -11.329
   32    HA   HIS   5           HA       HIS   5  88.107  -0.816  -9.273
   33   1HB   HIS   5          2HB       HIS   5  89.475   0.970 -11.303
   34   2HB   HIS   5          3HB       HIS   5  88.417   1.581 -10.031
   35    HD1  HIS   5           HD1      HIS   5  89.190   0.139  -7.582
   36    HD2  HIS   5           HD2      HIS   5  92.066   1.274 -10.379
   37    HE1  HIS   5           HE1      HIS   5  91.409   0.135  -6.367
   38    H    HIS   6           HN       HIS   6  87.975  -1.012 -12.768
   39    HA   HIS   6           HA       HIS   6  85.473   0.329 -13.174
   40   1HB   HIS   6          2HB       HIS   6  86.838  -1.909 -14.711
   41   2HB   HIS   6          3HB       HIS   6  85.405  -1.056 -15.289
   42    HD1  HIS   6           HD1      HIS   6  85.696   1.496 -15.887
   43    HD2  HIS   6           HD2      HIS   6  89.248  -0.447 -14.896
   44    HE1  HIS   6           HE1      HIS   6  87.577   3.059 -16.549
   45    H    ASP   7           HN       ASP   7  86.345  -2.736 -11.857
   46    HA   ASP   7           HA       ASP   7  83.625  -3.843 -12.088
   47   1HB   ASP   7          2HB       ASP   7  86.234  -4.910 -11.015
   48   2HB   ASP   7          3HB       ASP   7  84.710  -5.787 -10.851
   49    H    GLU   8           HN       GLU   8  82.150  -3.390 -10.567
   50    HA   GLU   8           HA       GLU   8  82.774  -2.044  -8.104
   51   1HB   GLU   8          2HB       GLU   8  80.589  -1.893  -9.381
   52   2HB   GLU   8          3HB       GLU   8  80.229  -3.530  -8.828
   53   1HG   GLU   8          2HG       GLU   8  80.199  -2.863  -6.544
   54   2HG   GLU   8          3HG       GLU   8  80.924  -1.300  -6.915
   55    H    LYS   9           HN       LYS   9  81.965  -5.384  -8.958
   56    HA   LYS   9           HA       LYS   9  81.774  -6.404  -6.305
   57   1HB   LYS   9          2HB       LYS   9  81.968  -8.602  -7.342
   58   2HB   LYS   9          3HB       LYS   9  80.950  -7.564  -8.341
   59   1HG   LYS   9          2HG       LYS   9  83.631  -7.157  -9.190
   60   2HG   LYS   9          3HG       LYS   9  83.390  -8.897  -9.061
   61   1HD   LYS   9          2HD       LYS   9  82.728  -8.277 -11.283
   62   2HD   LYS   9          3HD       LYS   9  81.246  -8.597 -10.384
   63   1HE   LYS   9          2HE       LYS   9  80.833  -6.243 -10.077
   64   2HE   LYS   9          3HE       LYS   9  82.428  -5.825 -10.704
   65   1HZ   LYS   9           HZ1      LYS   9  80.285  -7.181 -12.251
   66   2HZ   LYS   9           HZ3      LYS   9  80.672  -5.531 -12.362
   67   3HZ   LYS   9           HZ2      LYS   9  81.802  -6.704 -12.846
   68    H    THR  10           HN       THR  10  84.582  -5.548  -8.169
   69    HA   THR  10           HA       THR  10  86.466  -7.300  -6.907
   70    HB   THR  10           HB       THR  10  88.124  -5.436  -7.532
   71    HG1  THR  10           HG1      THR  10  85.797  -4.193  -7.859
   72   1HG2  THR  10          HG22      THR  10  87.663  -7.448  -8.902
   73   2HG2  THR  10          HG21      THR  10  86.330  -6.604  -9.673
   74   3HG2  THR  10          HG23      THR  10  87.979  -6.036  -9.905
   75    H    TRP  11           HN       TRP  11  85.202  -4.131  -5.983
   76    HA   TRP  11           HA       TRP  11  86.669  -4.452  -3.399
   77   1HB   TRP  11          2HB       TRP  11  86.101  -1.811  -3.425
   78   2HB   TRP  11          3HB       TRP  11  87.588  -2.475  -4.097
   79    HD1  TRP  11           HD1      TRP  11  87.480  -3.106  -6.757
   80    HE1  TRP  11           HE1      TRP  11  86.329  -1.871  -8.683
   81    HE3  TRP  11           HE3      TRP  11  84.178  -0.272  -4.097
   82    HZ2  TRP  11           HZ2      TRP  11  84.285   0.111  -9.049
   83    HZ3  TRP  11           HZ3      TRP  11  82.646   1.286  -5.260
   84    HH2  TRP  11           HH2      TRP  11  82.692   1.479  -7.730
   85    H    ASN  12           HN       ASN  12  83.623  -4.219  -4.916
   86    HA   ASN  12           HA       ASN  12  82.227  -3.262  -2.499
   87   1HB   ASN  12          2HB       ASN  12  81.545  -2.630  -4.843
   88   2HB   ASN  12          3HB       ASN  12  81.044  -4.305  -5.080
   89   1HD2  ASN  12          HD21      ASN  12  78.780  -4.162  -5.048
   90   2HD2  ASN  12          HD22      ASN  12  77.886  -3.470  -3.781
   91    H    VAL  13           HN       VAL  13  81.679  -4.651  -0.920
   92    HA   VAL  13           HA       VAL  13  80.788  -7.385  -1.664
   93    HB   VAL  13           HB       VAL  13  82.021  -8.308   0.292
   94   1HG1  VAL  13          HG11      VAL  13  82.999  -8.432  -1.973
   95   2HG1  VAL  13          HG13      VAL  13  83.775  -6.867  -1.717
   96   3HG1  VAL  13          HG12      VAL  13  84.245  -8.257  -0.741
   97   1HG2  VAL  13          HG23      VAL  13  83.238  -5.532   0.357
   98   2HG2  VAL  13          HG22      VAL  13  82.240  -6.267   1.613
   99   3HG2  VAL  13          HG21      VAL  13  83.841  -6.917   1.269
  100    H    GLY  14           HN       GLY  14  79.314  -5.019  -0.997
  101   1HA   GLY  14          2HA       GLY  14  78.533  -4.690   1.663
  102   2HA   GLY  14          3HA       GLY  14  77.428  -4.492   0.306
  103    H    SER  15           HN       SER  15  77.640  -7.305  -0.545
  104    HA   SER  15           HA       SER  15  75.532  -8.409   1.049
  105   1HB   SER  15          2HB       SER  15  75.956 -10.492  -0.201
  106   2HB   SER  15          3HB       SER  15  75.964  -9.107  -1.290
  107    HG   SER  15           HG       SER  15  77.922 -10.873  -0.743
  108    H    SER  16           HN       SER  16  79.039  -8.656   1.191
  109    HA   SER  16           HA       SER  16  79.240 -10.894   2.946
  110   1HB   SER  16          2HB       SER  16  81.175  -9.889   1.737
  111   2HB   SER  16          3HB       SER  16  81.079  -8.479   2.787
  112    HG   SER  16           HG       SER  16  81.080 -10.789   4.198
  113    H    ASN  17           HN       ASN  17  79.078 -11.070   5.162
  114    HA   ASN  17           HA       ASN  17  77.713  -8.912   6.604
  115   1HB   ASN  17          2HB       ASN  17  77.194 -11.368   6.884
  116   2HB   ASN  17          3HB       ASN  17  78.759 -11.545   7.672
  117   1HD2  ASN  17          HD22      ASN  17  76.673 -11.014  10.562
  118   2HD2  ASN  17          HD21      ASN  17  77.252 -12.236   9.536
  119    H    ARG  18           HN       ARG  18  78.550  -8.196   8.777
  120    HA   ARG  18           HA       ARG  18  81.149  -7.079   8.592
  121   1HB   ARG  18          2HB       ARG  18  79.390  -7.644  10.994
  122   2HB   ARG  18          3HB       ARG  18  80.912  -6.761  11.106
  123   1HG   ARG  18          2HG       ARG  18  80.055  -5.152   9.398
  124   2HG   ARG  18          3HG       ARG  18  78.502  -5.987   9.435
  125   1HD   ARG  18          2HD       ARG  18  78.378  -4.076  10.934
  126   2HD   ARG  18          3HD       ARG  18  78.403  -5.546  11.909
  127    HE   ARG  18           HE       ARG  18  81.080  -4.828  11.672
  128   1HH1  ARG  18          HH21      ARG  18  78.167  -3.298  12.721
  129   2HH1  ARG  18          HH22      ARG  18  78.966  -2.298  13.888
  130   1HH2  ARG  18          HH11      ARG  18  82.125  -3.537  13.187
  131   2HH2  ARG  18          HH12      ARG  18  81.204  -2.437  14.157
  132    H    ASN  19           HN       ASN  19  80.067 -10.037  10.290
  133    HA   ASN  19           HA       ASN  19  82.671 -10.711  11.313
  134   1HB   ASN  19          2HB       ASN  19  80.198 -12.345  10.697
  135   2HB   ASN  19          3HB       ASN  19  81.646 -13.055  11.414
  136   1HD2  ASN  19          HD22      ASN  19  81.188 -11.390  14.570
  137   2HD2  ASN  19          HD21      ASN  19  82.367 -12.063  13.551
  138    H    LYS  20           HN       LYS  20  80.915 -11.581   8.349
  139    HA   LYS  20           HA       LYS  20  82.885 -13.343   7.268
  140   1HB   LYS  20          2HB       LYS  20  80.525 -12.990   6.401
  141   2HB   LYS  20          3HB       LYS  20  81.088 -11.473   5.703
  142   1HG   LYS  20          2HG       LYS  20  81.355 -12.958   3.916
  143   2HG   LYS  20          3HG       LYS  20  82.963 -12.951   4.637
  144   1HD   LYS  20          2HD       LYS  20  82.476 -15.008   5.850
  145   2HD   LYS  20          3HD       LYS  20  80.813 -14.995   5.262
  146   1HE   LYS  20          2HE       LYS  20  81.562 -15.277   2.971
  147   2HE   LYS  20          3HE       LYS  20  83.247 -15.117   3.459
  148   1HZ   LYS  20           HZ2      LYS  20  82.384 -17.093   5.056
  149   2HZ   LYS  20           HZ1      LYS  20  81.478 -17.389   3.651
  150   3HZ   LYS  20           HZ3      LYS  20  83.169 -17.335   3.567
  151    H    ALA  21           HN       ALA  21  82.513  -9.838   7.223
  152    HA   ALA  21           HA       ALA  21  84.515  -9.210   5.308
  153   1HB   ALA  21           HB1      ALA  21  82.925  -7.811   7.268
  154   2HB   ALA  21           HB3      ALA  21  84.584  -7.218   7.317
  155   3HB   ALA  21           HB2      ALA  21  83.677  -7.178   5.804
  156    H    GLU  22           HN       GLU  22  84.755  -9.914   8.786
  157    HA   GLU  22           HA       GLU  22  87.468  -9.159   9.150
  158   1HB   GLU  22          2HB       GLU  22  85.864 -11.389  10.441
  159   2HB   GLU  22          3HB       GLU  22  87.468 -10.895  10.981
  160   1HG   GLU  22          2HG       GLU  22  85.043  -9.081  10.831
  161   2HG   GLU  22          3HG       GLU  22  85.683  -9.800  12.307
  162    H    ASN  23           HN       ASN  23  86.040 -12.248   8.094
  163    HA   ASN  23           HA       ASN  23  88.495 -13.654   7.750
  164   1HB   ASN  23          2HB       ASN  23  85.795 -13.909   6.411
  165   2HB   ASN  23          3HB       ASN  23  87.125 -15.026   6.101
  166   1HD2  ASN  23          HD22      ASN  23  86.955 -15.671   9.899
  167   2HD2  ASN  23          HD21      ASN  23  88.037 -14.705   9.015
  168    H    LEU  24           HN       LEU  24  86.547 -11.664   5.542
  169    HA   LEU  24           HA       LEU  24  88.249 -11.953   3.250
  170   1HB   LEU  24          2HB       LEU  24  86.330  -9.762   4.095
  171   2HB   LEU  24          3HB       LEU  24  87.141  -9.789   2.529
  172    HG   LEU  24           HG       LEU  24  85.369 -12.009   3.591
  173   1HD1  LEU  24          HD12      LEU  24  84.333  -9.698   2.936
  174   2HD1  LEU  24          HD11      LEU  24  84.719 -10.184   1.286
  175   3HD1  LEU  24          HD13      LEU  24  83.627 -11.167   2.263
  176   1HD2  LEU  24          HD21      LEU  24  87.119 -11.647   1.220
  177   2HD2  LEU  24          HD23      LEU  24  86.613 -13.132   2.028
  178   3HD2  LEU  24          HD22      LEU  24  85.525 -12.327   0.897
  179    H    LEU  25           HN       LEU  25  88.158  -9.644   5.945
  180    HA   LEU  25           HA       LEU  25  90.375  -8.058   4.900
  181   1HB   LEU  25          2HB       LEU  25  88.996  -8.196   7.595
  182   2HB   LEU  25          3HB       LEU  25  90.326  -7.085   7.256
  183    HG   LEU  25           HG       LEU  25  87.928  -7.207   5.434
  184   1HD1  LEU  25          HD11      LEU  25  87.486  -6.691   8.033
  185   2HD1  LEU  25          HD13      LEU  25  88.055  -5.098   7.538
  186   3HD1  LEU  25          HD12      LEU  25  86.651  -5.816   6.750
  187   1HD2  LEU  25          HD23      LEU  25  90.105  -5.212   6.078
  188   2HD2  LEU  25          HD22      LEU  25  89.765  -5.987   4.531
  189   3HD2  LEU  25          HD21      LEU  25  88.665  -4.763   5.165
  190    H    ARG  26           HN       ARG  26  89.952 -10.815   6.974
  191    HA   ARG  26           HA       ARG  26  92.706 -10.816   7.944
  192   1HB   ARG  26          2HB       ARG  26  90.347 -12.673   8.149
  193   2HB   ARG  26          3HB       ARG  26  91.957 -13.217   8.643
  194   1HG   ARG  26          2HG       ARG  26  92.134 -11.231  10.115
  195   2HG   ARG  26          3HG       ARG  26  90.499 -10.768   9.665
  196   1HD   ARG  26          2HD       ARG  26  89.575 -12.739  10.660
  197   2HD   ARG  26          3HD       ARG  26  91.166 -13.460  10.888
  198    HE   ARG  26           HE       ARG  26  89.820 -11.689  12.703
  199   1HH1  ARG  26          HH21      ARG  26  92.927 -12.168  11.262
  200   2HH1  ARG  26          HH22      ARG  26  93.762 -11.237  12.460
  201   1HH2  ARG  26          HH11      ARG  26  90.901 -10.491  14.263
  202   2HH2  ARG  26          HH12      ARG  26  92.620 -10.305  14.161
  203    H    GLY  27           HN       GLY  27  94.412 -11.915   7.037
  204   1HA   GLY  27          2HA       GLY  27  95.435 -13.606   5.670
  205   2HA   GLY  27          3HA       GLY  27  93.874 -13.891   4.902
  206    H    LYS  28           HN       LYS  28  93.948 -10.689   4.874
  207    HA   LYS  28           HA       LYS  28  95.067 -10.616   2.139
  208   1HB   LYS  28          2HB       LYS  28  93.367  -8.637   3.684
  209   2HB   LYS  28          3HB       LYS  28  93.901  -8.414   2.019
  210   1HG   LYS  28          2HG       LYS  28  92.302 -10.814   2.945
  211   2HG   LYS  28          3HG       LYS  28  91.573  -9.368   2.243
  212   1HD   LYS  28          2HD       LYS  28  93.471  -9.837   0.391
  213   2HD   LYS  28          3HD       LYS  28  93.193 -11.490   0.937
  214   1HE   LYS  28          2HE       LYS  28  91.069  -9.561  -0.033
  215   2HE   LYS  28          3HE       LYS  28  91.698 -10.937  -0.935
  216   1HZ   LYS  28           HZ2      LYS  28  90.905 -11.806   1.612
  217   2HZ   LYS  28           HZ1      LYS  28  89.628 -10.914   0.932
  218   3HZ   LYS  28           HZ3      LYS  28  90.263 -12.243   0.098
  219    H    ARG  29           HN       ARG  29  96.845  -9.399   1.622
  220    HA   ARG  29           HA       ARG  29  98.615  -8.542   3.736
  221   1HB   ARG  29          2HB       ARG  29 100.087  -7.754   1.945
  222   2HB   ARG  29          3HB       ARG  29  99.451  -9.344   1.526
  223   1HG   ARG  29          2HG       ARG  29  97.590  -8.061   0.275
  224   2HG   ARG  29          3HG       ARG  29  98.634  -6.650   0.429
  225   1HD   ARG  29          2HD       ARG  29  99.538  -7.399  -1.527
  226   2HD   ARG  29          3HD       ARG  29 100.415  -8.517  -0.482
  227    HE   ARG  29           HE       ARG  29  98.028  -9.829  -0.987
  228   1HH1  ARG  29          HH21      ARG  29 100.440  -8.287  -2.917
  229   2HH1  ARG  29          HH22      ARG  29 100.278  -9.396  -4.238
  230   1HH2  ARG  29          HH11      ARG  29  97.796 -11.272  -2.710
  231   2HH2  ARG  29          HH12      ARG  29  98.786 -11.085  -4.120
  232    H    ASP  30           HN       ASP  30  99.453  -6.276   3.906
  233    HA   ASP  30           HA       ASP  30  97.345  -4.416   4.387
  234   1HB   ASP  30          2HB       ASP  30 100.307  -3.919   3.935
  235   2HB   ASP  30          3HB       ASP  30  99.177  -2.754   4.625
  236    H    GLY  31           HN       GLY  31  96.532  -2.707   3.117
  237   1HA   GLY  31          2HA       GLY  31  96.765  -1.196   1.164
  238   2HA   GLY  31          3HA       GLY  31  97.597  -2.505   0.325
  239    H    THR  32           HN       THR  32  95.687  -4.527   1.311
  240    HA   THR  32           HA       THR  32  93.710  -4.237  -0.805
  241    HB   THR  32           HB       THR  32  93.901  -6.294   1.424
  242    HG1  THR  32           HG1      THR  32  95.548  -6.940   0.326
  243   1HG2  THR  32          HG21      THR  32  91.741  -5.890  -0.087
  244   2HG2  THR  32          HG23      THR  32  92.683  -6.810  -1.258
  245   3HG2  THR  32          HG22      THR  32  92.288  -7.520   0.309
  246    H    PHE  33           HN       PHE  33  91.571  -3.553  -0.567
  247    HA   PHE  33           HA       PHE  33  90.524  -3.277   2.196
  248   1HB   PHE  33          2HB       PHE  33  90.206  -1.019   2.153
  249   2HB   PHE  33          3HB       PHE  33  91.567  -1.059   1.038
  250    HD1  PHE  33           HD1      PHE  33  90.631  -1.823  -1.505
  251    HD2  PHE  33           HD2      PHE  33  88.509   0.401   1.494
  252    HE1  PHE  33           HE1      PHE  33  89.162  -0.828  -3.247
  253    HE2  PHE  33           HE2      PHE  33  87.052   1.375  -0.271
  254    HZ   PHE  33           HZ       PHE  33  87.380   0.748  -2.624
  255    H    LEU  34           HN       LEU  34  88.126  -2.900   2.163
  256    HA   LEU  34           HA       LEU  34  86.908  -3.847  -0.393
  257   1HB   LEU  34          2HB       LEU  34  85.543  -5.447   0.781
  258   2HB   LEU  34          3HB       LEU  34  87.204  -5.721   1.299
  259    HG   LEU  34           HG       LEU  34  86.450  -3.862   3.111
  260   1HD1  LEU  34          HD13      LEU  34  84.102  -4.225   1.899
  261   2HD1  LEU  34          HD12      LEU  34  84.020  -5.587   3.016
  262   3HD1  LEU  34          HD11      LEU  34  84.207  -3.945   3.636
  263   1HD2  LEU  34          HD22      LEU  34  86.047  -6.868   3.216
  264   2HD2  LEU  34          HD21      LEU  34  87.508  -5.984   3.660
  265   3HD2  LEU  34          HD23      LEU  34  86.047  -5.823   4.635
  266    H    VAL  35           HN       VAL  35  84.676  -3.206  -0.627
  267    HA   VAL  35           HA       VAL  35  83.924  -0.932   1.153
  268    HB   VAL  35           HB       VAL  35  83.227  -1.437  -1.759
  269   1HG1  VAL  35          HG12      VAL  35  81.976   0.199   0.298
  270   2HG1  VAL  35          HG11      VAL  35  82.556   1.187  -1.044
  271   3HG1  VAL  35          HG13      VAL  35  81.430  -0.136  -1.346
  272   1HG2  VAL  35          HG21      VAL  35  85.410  -0.071  -0.432
  273   2HG2  VAL  35          HG23      VAL  35  85.158  -0.340  -2.152
  274   3HG2  VAL  35          HG22      VAL  35  84.456   1.075  -1.375
  275    H    ARG  36           HN       ARG  36  81.872  -1.038   2.108
  276    HA   ARG  36           HA       ARG  36  79.986  -3.109   1.148
  277   1HB   ARG  36          2HB       ARG  36  79.845  -4.205   3.328
  278   2HB   ARG  36          3HB       ARG  36  81.520  -4.244   2.776
  279   1HG   ARG  36          2HG       ARG  36  81.929  -2.152   4.119
  280   2HG   ARG  36          3HG       ARG  36  80.312  -2.335   4.788
  281   1HD   ARG  36          2HD       ARG  36  82.408  -4.507   4.914
  282   2HD   ARG  36          3HD       ARG  36  82.186  -3.327   6.202
  283    HE   ARG  36           HE       ARG  36  80.651  -5.700   5.827
  284   1HH1  ARG  36          HH21      ARG  36  80.183  -2.333   6.480
  285   2HH1  ARG  36          HH22      ARG  36  78.549  -2.547   7.016
  286   1HH2  ARG  36          HH11      ARG  36  78.550  -5.975   6.542
  287   2HH2  ARG  36          HH12      ARG  36  77.626  -4.599   7.044
  288    H    GLU  37           HN       GLU  37  77.895  -2.961   2.530
  289    HA   GLU  37           HA       GLU  37  77.418  -0.075   3.074
  290   1HB   GLU  37          2HB       GLU  37  74.986  -0.828   3.022
  291   2HB   GLU  37          3HB       GLU  37  75.847  -0.979   1.490
  292   1HG   GLU  37          2HG       GLU  37  75.925  -3.292   1.615
  293   2HG   GLU  37          3HG       GLU  37  75.862  -3.302   3.379
  294    H    SER  38           HN       SER  38  75.626   0.153   4.895
  295    HA   SER  38           HA       SER  38  76.760  -1.113   7.285
  296   1HB   SER  38          2HB       SER  38  74.439   0.789   6.841
  297   2HB   SER  38          3HB       SER  38  74.860   0.158   8.432
  298    HG   SER  38           HG       SER  38  77.045   0.991   7.894
  299    H    SER  39           HN       SER  39  75.140  -2.208   4.874
  300    HA   SER  39           HA       SER  39  74.095  -4.263   4.577
  301   1HB   SER  39          2HB       SER  39  73.496  -5.648   6.398
  302   2HB   SER  39          3HB       SER  39  74.883  -4.745   7.000
  303    HG   SER  39           HG       SER  39  72.174  -4.555   7.648
  304    H    LYS  40           HN       LYS  40  72.080  -2.933   7.217
  305    HA   LYS  40           HA       LYS  40  69.822  -2.844   5.284
  306   1HB   LYS  40          2HB       LYS  40  69.879  -2.677   8.308
  307   2HB   LYS  40          3HB       LYS  40  68.414  -2.664   7.323
  308   1HG   LYS  40          2HG       LYS  40  68.976  -4.871   6.419
  309   2HG   LYS  40          3HG       LYS  40  70.474  -4.887   7.350
  310   1HD   LYS  40          2HD       LYS  40  69.106  -4.681   9.442
  311   2HD   LYS  40          3HD       LYS  40  67.652  -4.856   8.455
  312   1HE   LYS  40          2HE       LYS  40  68.469  -7.042   7.643
  313   2HE   LYS  40          3HE       LYS  40  69.910  -6.872   8.644
  314   1HZ   LYS  40           HZ2      LYS  40  67.124  -6.895   9.673
  315   2HZ   LYS  40           HZ1      LYS  40  68.175  -8.229   9.692
  316   3HZ   LYS  40           HZ3      LYS  40  68.545  -6.848  10.604
  317    H    GLN  41           HN       GLN  41  71.844  -0.749   7.253
  318    HA   GLN  41           HA       GLN  41  70.022   1.531   6.898
  319   1HB   GLN  41          2HB       GLN  41  72.802   1.345   8.091
  320   2HB   GLN  41          3HB       GLN  41  71.878   2.843   7.986
  321   1HG   GLN  41          2HG       GLN  41  70.083   1.867   9.324
  322   2HG   GLN  41          3HG       GLN  41  70.925   0.321   9.368
  323   1HE2  GLN  41          HE22      GLN  41  71.677   2.359  12.482
  324   2HE2  GLN  41          HE21      GLN  41  70.220   1.930  11.724
  325    H    GLY  42           HN       GLY  42  70.510   3.374   5.598
  326   1HA   GLY  42          2HA       GLY  42  71.765   2.711   3.078
  327   2HA   GLY  42          3HA       GLY  42  71.098   4.282   3.512
  328    H    CYS  43           HN       CYS  43  73.280   3.349   5.901
  329    HA   CYS  43           HA       CYS  43  75.214   5.344   4.982
  330   1HB   CYS  43          2HB       CYS  43  74.638   4.990   7.407
  331   2HB   CYS  43          3HB       CYS  43  75.444   3.428   7.319
  332    HG   CYS  43           HG       CYS  43  76.912   6.168   7.001
  333    H    TYR  44           HN       TYR  44  77.310   4.924   4.214
  334    HA   TYR  44           HA       TYR  44  77.835   2.070   3.483
  335   1HB   TYR  44          2HB       TYR  44  78.706   4.639   2.132
  336   2HB   TYR  44          3HB       TYR  44  79.242   3.029   1.648
  337    HD1  TYR  44           HD1      TYR  44  77.586   1.363   0.800
  338    HD2  TYR  44           HD2      TYR  44  76.513   5.448   1.577
  339    HE1  TYR  44           HE1      TYR  44  75.546   1.087  -0.579
  340    HE2  TYR  44           HE2      TYR  44  74.468   5.174   0.199
  341    HH   TYR  44           HH       TYR  44  73.001   3.323  -0.577
  342    H    ALA  45           HN       ALA  45  80.169   1.450   3.441
  343    HA   ALA  45           HA       ALA  45  82.091   3.155   4.804
  344   1HB   ALA  45           HB1      ALA  45  80.762   0.863   6.265
  345   2HB   ALA  45           HB3      ALA  45  82.362   1.452   6.718
  346   3HB   ALA  45           HB2      ALA  45  80.969   2.528   6.807
  347    H    CYS  46           HN       CYS  46  84.205   2.337   4.509
  348    HA   CYS  46           HA       CYS  46  84.342  -0.305   3.129
  349   1HB   CYS  46          2HB       CYS  46  86.096   2.123   2.593
  350   2HB   CYS  46          3HB       CYS  46  86.234   0.555   1.784
  351    HG   CYS  46           HG       CYS  46  83.803   0.961   0.804
  352    H    SER  47           HN       SER  47  85.831  -1.707   3.928
  353    HA   SER  47           HA       SER  47  87.327  -0.723   6.305
  354   1HB   SER  47          2HB       SER  47  87.367  -3.044   7.058
  355   2HB   SER  47          3HB       SER  47  85.714  -2.583   6.661
  356    HG   SER  47           HG       SER  47  85.955  -4.438   5.593
  357    H    VAL  48           HN       VAL  48  89.540  -1.046   6.477
  358    HA   VAL  48           HA       VAL  48  90.859  -2.124   4.029
  359    HB   VAL  48           HB       VAL  48  91.800   0.166   5.771
  360   1HG1  VAL  48          HG11      VAL  48  93.600  -1.104   4.689
  361   2HG1  VAL  48          HG13      VAL  48  92.804  -0.913   3.129
  362   3HG1  VAL  48          HG12      VAL  48  93.445   0.499   3.970
  363   1HG2  VAL  48          HG23      VAL  48  89.733   0.189   3.907
  364   2HG2  VAL  48          HG22      VAL  48  90.640   1.600   4.454
  365   3HG2  VAL  48          HG21      VAL  48  91.127   0.756   2.985
  366    H    VAL  49           HN       VAL  49  93.018  -3.000   4.432
  367    HA   VAL  49           HA       VAL  49  93.273  -4.062   7.210
  368    HB   VAL  49           HB       VAL  49  94.342  -5.191   4.616
  369   1HG1  VAL  49          HG13      VAL  49  94.640  -5.923   7.508
  370   2HG1  VAL  49          HG12      VAL  49  94.643  -7.201   6.294
  371   3HG1  VAL  49          HG11      VAL  49  95.857  -5.923   6.232
  372   1HG2  VAL  49          HG23      VAL  49  92.084  -6.060   6.442
  373   2HG2  VAL  49          HG22      VAL  49  91.906  -5.414   4.813
  374   3HG2  VAL  49          HG21      VAL  49  92.666  -6.988   5.060
  375    H    VAL  50           HN       VAL  50  95.088  -3.469   8.345
  376    HA   VAL  50           HA       VAL  50  97.265  -2.154   6.774
  377    HB   VAL  50           HB       VAL  50  95.916  -1.372   9.350
  378   1HG1  VAL  50          HG12      VAL  50  98.777  -0.996   8.613
  379   2HG1  VAL  50          HG11      VAL  50  97.928   0.413   9.240
  380   3HG1  VAL  50          HG13      VAL  50  98.023  -1.057  10.207
  381   1HG2  VAL  50          HG21      VAL  50  95.358  -0.508   6.980
  382   2HG2  VAL  50          HG23      VAL  50  95.612   0.693   8.245
  383   3HG2  VAL  50          HG22      VAL  50  96.892   0.357   7.089
  384    H    ASP  51           HN       ASP  51  99.387  -2.413   7.570
  385    HA   ASP  51           HA       ASP  51 100.181  -4.943   8.405
  386   1HB   ASP  51          2HB       ASP  51 101.683  -3.157   7.468
  387   2HB   ASP  51          3HB       ASP  51 101.637  -2.362   9.041
  388    H    GLY  52           HN       GLY  52  98.671  -2.584  10.234
  389   1HA   GLY  52          2HA       GLY  52  99.697  -3.737  12.779
  390   2HA   GLY  52          3HA       GLY  52  98.877  -2.183  12.641
  391    H    GLU  53           HN       GLU  53  96.575  -2.792  11.238
  392    HA   GLU  53           HA       GLU  53  95.324  -5.181  12.394
  393   1HB   GLU  53          2HB       GLU  53  94.606  -2.424  13.418
  394   2HB   GLU  53          3HB       GLU  53  93.596  -3.849  13.659
  395   1HG   GLU  53          2HG       GLU  53  95.672  -4.954  14.684
  396   2HG   GLU  53          3HG       GLU  53  96.380  -3.336  14.716
  397    H    VAL  54           HN       VAL  54  92.821  -5.001  12.035
  398    HA   VAL  54           HA       VAL  54  92.401  -4.155   9.227
  399    HB   VAL  54           HB       VAL  54  90.729  -5.758  11.189
  400   1HG1  VAL  54          HG11      VAL  54  90.109  -4.968   8.326
  401   2HG1  VAL  54          HG13      VAL  54  89.173  -6.107   9.295
  402   3HG1  VAL  54          HG12      VAL  54  89.251  -4.411   9.764
  403   1HG2  VAL  54          HG21      VAL  54  92.252  -6.422   8.654
  404   2HG2  VAL  54          HG23      VAL  54  92.557  -7.040  10.279
  405   3HG2  VAL  54          HG22      VAL  54  91.103  -7.528   9.409
  406    H    LYS  55           HN       LYS  55  91.138  -2.357   8.720
  407    HA   LYS  55           HA       LYS  55  89.904  -0.951  11.058
  408   1HB   LYS  55          2HB       LYS  55  91.284   0.130   8.604
  409   2HB   LYS  55          3HB       LYS  55  90.279   1.142   9.642
  410   1HG   LYS  55          2HG       LYS  55  92.219   1.469  10.792
  411   2HG   LYS  55          3HG       LYS  55  91.851  -0.102  11.501
  412   1HD   LYS  55          2HD       LYS  55  93.120  -1.134   9.543
  413   2HD   LYS  55          3HD       LYS  55  93.680   0.498   9.178
  414   1HE   LYS  55          2HE       LYS  55  94.637  -1.328  11.208
  415   2HE   LYS  55          3HE       LYS  55  95.313   0.220  10.715
  416   1HZ   LYS  55           HZ3      LYS  55  93.588   1.295  12.112
  417   2HZ   LYS  55           HZ2      LYS  55  93.146  -0.243  12.685
  418   3HZ   LYS  55           HZ1      LYS  55  94.701   0.371  12.991
  419    H    HIS  56           HN       HIS  56  88.048   0.437  10.559
  420    HA   HIS  56           HA       HIS  56  86.439  -0.574   8.252
  421   1HB   HIS  56          2HB       HIS  56  85.625  -0.052  11.111
  422   2HB   HIS  56          3HB       HIS  56  84.440  -0.096   9.805
  423    HD1  HIS  56           HD1      HIS  56  86.386  -2.395   8.357
  424    HD2  HIS  56           HD2      HIS  56  84.416  -2.561  12.029
  425    HE1  HIS  56           HE1      HIS  56  86.128  -4.850   8.924
  426    H    CYS  57           HN       CYS  57  87.421   1.404   7.193
  427    HA   CYS  57           HA       CYS  57  86.913   4.049   8.140
  428   1HB   CYS  57          2HB       CYS  57  87.264   2.986   5.319
  429   2HB   CYS  57          3HB       CYS  57  87.227   4.701   5.723
  430    HG   CYS  57           HG       CYS  57  89.729   3.551   5.716
  431    H    VAL  58           HN       VAL  58  85.200   5.498   7.700
  432    HA   VAL  58           HA       VAL  58  82.670   4.145   6.890
  433    HB   VAL  58           HB       VAL  58  82.914   5.271   9.182
  434   1HG1  VAL  58          HG12      VAL  58  84.092   7.295   8.177
  435   2HG1  VAL  58          HG11      VAL  58  82.526   7.783   7.533
  436   3HG1  VAL  58          HG13      VAL  58  82.766   7.670   9.277
  437   1HG2  VAL  58          HG21      VAL  58  80.749   4.810   7.701
  438   2HG2  VAL  58          HG23      VAL  58  80.633   5.740   9.193
  439   3HG2  VAL  58          HG22      VAL  58  80.695   6.573   7.640
  440    H    ILE  59           HN       ILE  59  81.500   4.860   5.173
  441    HA   ILE  59           HA       ILE  59  82.319   7.423   3.885
  442    HB   ILE  59           HB       ILE  59  81.487   4.855   2.476
  443   1HG1  ILE  59          HG12      ILE  59  84.127   6.360   2.551
  444   2HG1  ILE  59          HG11      ILE  59  83.807   4.820   3.352
  445   1HG2  ILE  59          HG22      ILE  59  80.816   7.205   1.538
  446   2HG2  ILE  59          HG21      ILE  59  82.535   7.354   1.174
  447   3HG2  ILE  59          HG23      ILE  59  81.598   6.052   0.453
  448   1HD1  ILE  59          HD13      ILE  59  83.134   3.970   1.000
  449   2HD1  ILE  59          HD12      ILE  59  83.968   5.401   0.398
  450   3HD1  ILE  59          HD11      ILE  59  84.852   4.193   1.331
  451    H    ASN  60           HN       ASN  60  80.505   8.736   3.251
  452    HA   ASN  60           HA       ASN  60  77.822   7.492   3.648
  453   1HB   ASN  60          2HB       ASN  60  78.594   8.523   5.802
  454   2HB   ASN  60          3HB       ASN  60  78.630  10.085   4.980
  455   1HD2  ASN  60          HD22      ASN  60  75.277  10.136   6.333
  456   2HD2  ASN  60          HD21      ASN  60  76.877  10.492   6.765
  457    H    LYS  61           HN       LYS  61  76.618   7.979   1.888
  458    HA   LYS  61           HA       LYS  61  77.296  10.390   0.307
  459   1HB   LYS  61          2HB       LYS  61  75.398   8.099  -0.279
  460   2HB   LYS  61          3HB       LYS  61  75.796   9.409  -1.394
  461   1HG   LYS  61          2HG       LYS  61  78.277   8.687  -0.907
  462   2HG   LYS  61          3HG       LYS  61  77.533   7.163  -0.422
  463   1HD   LYS  61          2HD       LYS  61  77.008   8.515  -3.081
  464   2HD   LYS  61          3HD       LYS  61  78.214   7.252  -2.846
  465   1HE   LYS  61          2HE       LYS  61  76.284   6.096  -3.598
  466   2HE   LYS  61          3HE       LYS  61  76.304   5.844  -1.854
  467   1HZ   LYS  61           HZ1      LYS  61  74.900   8.210  -2.808
  468   2HZ   LYS  61           HZ3      LYS  61  74.178   6.718  -3.162
  469   3HZ   LYS  61           HZ2      LYS  61  74.500   7.138  -1.549
  470    H    THR  62           HN       THR  62  76.210  12.235   0.673
  471    HA   THR  62           HA       THR  62  73.310  12.096   1.342
  472    HB   THR  62           HB       THR  62  75.345  13.805   2.816
  473    HG1  THR  62           HG1      THR  62  75.004  11.403   3.226
  474   1HG2  THR  62          HG23      THR  62  72.395  13.831   2.606
  475   2HG2  THR  62          HG22      THR  62  73.035  13.914   4.248
  476   3HG2  THR  62          HG21      THR  62  73.504  15.126   3.056
  477    H    ALA  63           HN       ALA  63  72.272  14.350   0.982
  478    HA   ALA  63           HA       ALA  63  72.585  15.337  -1.560
  479   1HB   ALA  63           HB1      ALA  63  70.997  16.171   0.338
  480   2HB   ALA  63           HB3      ALA  63  72.285  17.322   0.696
  481   3HB   ALA  63           HB2      ALA  63  71.507  17.334  -0.887
  482    H    THR  64           HN       THR  64  74.597  16.051   1.229
  483    HA   THR  64           HA       THR  64  76.656  17.159  -0.613
  484    HB   THR  64           HB       THR  64  75.885  18.386   2.054
  485    HG1  THR  64           HG1      THR  64  74.734  19.756   0.943
  486   1HG2  THR  64          HG22      THR  64  78.275  18.485   0.496
  487   2HG2  THR  64          HG21      THR  64  77.491  20.063   0.396
  488   3HG2  THR  64          HG23      THR  64  77.893  19.374   1.969
  489    H    GLY  65           HN       GLY  65  76.516  14.511   0.541
  490   1HA   GLY  65          2HA       GLY  65  78.967  14.620   2.241
  491   2HA   GLY  65          3HA       GLY  65  77.589  13.672   2.799
  492    H    TYR  66           HN       TYR  66  80.170  12.585   2.221
  493    HA   TYR  66           HA       TYR  66  79.448  10.394   0.470
  494   1HB   TYR  66          2HB       TYR  66  81.544  12.369  -0.473
  495   2HB   TYR  66          3HB       TYR  66  81.287  10.773  -1.176
  496    HD1  TYR  66           HD1      TYR  66  79.196  10.241  -2.370
  497    HD2  TYR  66           HD2      TYR  66  80.002  14.189  -0.882
  498    HE1  TYR  66           HE1      TYR  66  77.381  11.147  -3.796
  499    HE2  TYR  66           HE2      TYR  66  78.187  15.096  -2.308
  500    HH   TYR  66           HH       TYR  66  76.295  12.956  -4.452
  501    H    GLY  67           HN       GLY  67  81.334  11.894   2.813
  502   1HA   GLY  67          2HA       GLY  67  82.590  10.510   4.418
  503   2HA   GLY  67          3HA       GLY  67  83.032   9.448   3.076
  504    H    PHE  68           HN       PHE  68  84.332  10.525   1.304
  505    HA   PHE  68           HA       PHE  68  86.401  12.285   2.525
  506   1HB   PHE  68          2HB       PHE  68  86.335  10.637  -0.023
  507   2HB   PHE  68          3HB       PHE  68  87.663  11.717   0.394
  508    HD1  PHE  68           HD1      PHE  68  85.795   8.688   1.472
  509    HD2  PHE  68           HD2      PHE  68  89.314  11.090   2.006
  510    HE1  PHE  68           HE1      PHE  68  86.811   6.892   2.853
  511    HE2  PHE  68           HE2      PHE  68  90.329   9.299   3.389
  512    HZ   PHE  68           HZ       PHE  68  89.081   7.198   3.809
  513    H    ALA  69           HN       ALA  69  85.883  14.450   2.232
  514    HA   ALA  69           HA       ALA  69  85.736  15.629  -0.349
  515   1HB   ALA  69           HB3      ALA  69  83.141  14.709   0.809
  516   2HB   ALA  69           HB2      ALA  69  83.166  16.286   0.017
  517   3HB   ALA  69           HB1      ALA  69  83.636  14.839  -0.876
  518    H    GLU  70           HN       GLU  70  86.979  17.217   0.603
  519    HA   GLU  70           HA       GLU  70  85.633  18.899   2.682
  520   1HB   GLU  70          2HB       GLU  70  88.588  18.400   2.197
  521   2HB   GLU  70          3HB       GLU  70  87.953  19.559   3.362
  522   1HG   GLU  70          2HG       GLU  70  87.367  16.582   3.383
  523   2HG   GLU  70          3HG       GLU  70  88.531  17.396   4.431
  524    HA   PRO  71           HA       PRO  71  85.447  22.437   0.055
  525   1HB   PRO  71          2HB       PRO  71  87.599  23.592   1.795
  526   2HB   PRO  71          3HB       PRO  71  86.087  24.333   1.235
  527   1HG   PRO  71          2HG       PRO  71  86.423  23.287   3.723
  528   2HG   PRO  71          3HG       PRO  71  84.861  23.405   2.900
  529   1HD   PRO  71          2HD       PRO  71  86.361  21.005   3.582
  530   2HD   PRO  71          3HD       PRO  71  84.726  21.132   2.904
  531    H    TYR  72           HN       TYR  72  88.714  21.460   1.098
  532    HA   TYR  72           HA       TYR  72  90.036  22.502  -1.249
  533   1HB   TYR  72          2HB       TYR  72  91.245  22.040   0.855
  534   2HB   TYR  72          3HB       TYR  72  90.894  20.319   0.679
  535    HD1  TYR  72           HD1      TYR  72  92.785  23.175  -0.693
  536    HD2  TYR  72           HD2      TYR  72  92.046  18.953  -0.960
  537    HE1  TYR  72           HE1      TYR  72  94.775  22.921  -2.151
  538    HE2  TYR  72           HE2      TYR  72  94.038  18.697  -2.421
  539    HH   TYR  72           HH       TYR  72  96.407  20.536  -2.641
  540    H    ASN  73           HN       ASN  73  88.841  19.263  -0.311
  541    HA   ASN  73           HA       ASN  73  89.034  18.468  -3.193
  542   1HB   ASN  73          2HB       ASN  73  89.458  16.171  -2.484
  543   2HB   ASN  73          3HB       ASN  73  90.650  17.234  -1.738
  544   1HD2  ASN  73          HD22      ASN  73  89.553  15.190   1.084
  545   2HD2  ASN  73          HD21      ASN  73  90.599  15.108  -0.253
  546    H    LEU  74           HN       LEU  74  87.199  17.408  -4.067
  547    HA   LEU  74           HA       LEU  74  84.944  16.785  -2.248
  548   1HB   LEU  74          2HB       LEU  74  84.785  18.734  -4.565
  549   2HB   LEU  74          3HB       LEU  74  83.377  18.064  -3.741
  550    HG   LEU  74           HG       LEU  74  85.584  19.595  -2.335
  551   1HD1  LEU  74          HD12      LEU  74  84.334  21.025  -3.943
  552   2HD1  LEU  74          HD11      LEU  74  82.823  20.534  -3.177
  553   3HD1  LEU  74          HD13      LEU  74  84.004  21.474  -2.268
  554   1HD2  LEU  74          HD21      LEU  74  83.071  18.213  -1.529
  555   2HD2  LEU  74          HD23      LEU  74  84.566  18.449  -0.622
  556   3HD2  LEU  74          HD22      LEU  74  83.397  19.764  -0.756
  557    H    TYR  75           HN       TYR  75  84.973  14.618  -2.804
  558    HA   TYR  75           HA       TYR  75  85.221  13.755  -5.585
  559   1HB   TYR  75          2HB       TYR  75  84.597  12.284  -3.016
  560   2HB   TYR  75          3HB       TYR  75  84.761  11.486  -4.583
  561    HD1  TYR  75           HD2      TYR  75  86.539  13.377  -1.946
  562    HD2  TYR  75           HD1      TYR  75  86.904  11.309  -5.694
  563    HE1  TYR  75           HE2      TYR  75  89.010  13.384  -1.714
  564    HE2  TYR  75           HE1      TYR  75  89.374  11.320  -5.460
  565    HH   TYR  75           HH       TYR  75  90.934  12.190  -2.519
  566    H    SER  76           HN       SER  76  83.579  13.422  -6.992
  567    HA   SER  76           HA       SER  76  80.821  13.919  -6.066
  568   1HB   SER  76          2HB       SER  76  82.096  13.678  -8.788
  569   2HB   SER  76          3HB       SER  76  80.348  13.747  -8.581
  570    HG   SER  76           HG       SER  76  80.574  15.815  -8.365
  571    H    SER  77           HN       SER  77  82.729  11.227  -7.436
  572    HA   SER  77           HA       SER  77  80.337   9.500  -6.911
  573   1HB   SER  77          2HB       SER  77  82.331   9.192  -9.174
  574   2HB   SER  77          3HB       SER  77  81.025   8.071  -8.808
  575    HG   SER  77           HG       SER  77  80.753  10.824  -9.465
  576    H    LEU  78           HN       LEU  78  80.817   7.298  -6.285
  577    HA   LEU  78           HA       LEU  78  83.004   7.091  -4.420
  578   1HB   LEU  78          2HB       LEU  78  81.157   4.972  -5.564
  579   2HB   LEU  78          3HB       LEU  78  82.274   4.704  -4.224
  580    HG   LEU  78           HG       LEU  78  80.037   6.751  -4.272
  581   1HD1  LEU  78          HD12      LEU  78  80.130   3.947  -3.532
  582   2HD1  LEU  78          HD11      LEU  78  79.737   4.949  -2.135
  583   3HD1  LEU  78          HD13      LEU  78  78.744   5.035  -3.591
  584   1HD2  LEU  78          HD21      LEU  78  82.318   6.181  -2.428
  585   2HD2  LEU  78          HD23      LEU  78  81.577   7.725  -2.850
  586   3HD2  LEU  78          HD22      LEU  78  80.774   6.643  -1.712
  587    H    LYS  79           HN       LYS  79  82.576   6.135  -7.763
  588    HA   LYS  79           HA       LYS  79  84.703   4.261  -8.003
  589   1HB   LYS  79          2HB       LYS  79  83.565   6.282  -9.962
  590   2HB   LYS  79          3HB       LYS  79  84.747   5.057 -10.418
  591   1HG   LYS  79          2HG       LYS  79  83.218   3.269  -9.785
  592   2HG   LYS  79          3HG       LYS  79  82.059   4.438  -9.147
  593   1HD   LYS  79          2HD       LYS  79  81.841   5.431 -11.417
  594   2HD   LYS  79          3HD       LYS  79  82.944   4.207 -12.042
  595   1HE   LYS  79          2HE       LYS  79  81.381   2.431 -11.352
  596   2HE   LYS  79          3HE       LYS  79  80.280   3.645 -10.700
  597   1HZ   LYS  79           HZ3      LYS  79  80.531   4.609 -13.113
  598   2HZ   LYS  79           HZ2      LYS  79  80.895   2.994 -13.489
  599   3HZ   LYS  79           HZ1      LYS  79  79.406   3.384 -12.770
  600    H    GLU  80           HN       GLU  80  84.648   7.811  -8.243
  601    HA   GLU  80           HA       GLU  80  87.469   8.099  -8.794
  602   1HB   GLU  80          2HB       GLU  80  85.766   9.878  -9.246
  603   2HB   GLU  80          3HB       GLU  80  85.581  10.097  -7.504
  604   1HG   GLU  80          2HG       GLU  80  87.164  11.747  -8.140
  605   2HG   GLU  80          3HG       GLU  80  88.134  10.439  -7.459
  606    H    LEU  81           HN       LEU  81  85.509   7.939  -5.858
  607    HA   LEU  81           HA       LEU  81  87.475   8.760  -3.963
  608   1HB   LEU  81          2HB       LEU  81  85.081   8.400  -3.406
  609   2HB   LEU  81          3HB       LEU  81  85.293   6.668  -3.651
  610    HG   LEU  81           HG       LEU  81  87.108   8.091  -1.724
  611   1HD1  LEU  81          HD11      LEU  81  84.184   7.597  -1.401
  612   2HD1  LEU  81          HD13      LEU  81  85.225   7.209  -0.033
  613   3HD1  LEU  81          HD12      LEU  81  85.196   8.849  -0.681
  614   1HD2  LEU  81          HD22      LEU  81  85.967   5.312  -2.057
  615   2HD2  LEU  81          HD21      LEU  81  87.660   5.797  -2.024
  616   3HD2  LEU  81          HD23      LEU  81  86.707   5.823  -0.543
  617    H    VAL  82           HN       VAL  82  86.641   5.502  -5.163
  618    HA   VAL  82           HA       VAL  82  88.628   4.108  -3.684
  619    HB   VAL  82           HB       VAL  82  87.368   3.431  -6.360
  620   1HG1  VAL  82          HG13      VAL  82  89.608   2.236  -5.234
  621   2HG1  VAL  82          HG12      VAL  82  88.283   1.229  -4.657
  622   3HG1  VAL  82          HG11      VAL  82  88.510   1.476  -6.387
  623   1HG2  VAL  82          HG21      VAL  82  86.731   2.666  -3.499
  624   2HG2  VAL  82          HG23      VAL  82  85.739   3.657  -4.567
  625   3HG2  VAL  82          HG22      VAL  82  85.966   1.943  -4.914
  626    H    LEU  83           HN       LEU  83  88.752   5.546  -6.955
  627    HA   LEU  83           HA       LEU  83  91.376   4.615  -7.569
  628   1HB   LEU  83          2HB       LEU  83  89.880   7.068  -8.534
  629   2HB   LEU  83          3HB       LEU  83  91.407   6.511  -9.220
  630    HG   LEU  83           HG       LEU  83  88.943   4.761  -9.010
  631   1HD1  LEU  83          HD13      LEU  83  89.885   6.623 -11.186
  632   2HD1  LEU  83          HD12      LEU  83  88.981   5.165 -11.591
  633   3HD1  LEU  83          HD11      LEU  83  88.253   6.392 -10.553
  634   1HD2  LEU  83          HD21      LEU  83  91.729   4.392  -9.822
  635   2HD2  LEU  83          HD23      LEU  83  90.494   3.182  -9.483
  636   3HD2  LEU  83          HD22      LEU  83  90.597   3.909 -11.086
  637    H    HIS  84           HN       HIS  84  90.373   7.803  -6.233
  638    HA   HIS  84           HA       HIS  84  93.112   8.659  -5.859
  639   1HB   HIS  84          2HB       HIS  84  91.203  10.233  -6.103
  640   2HB   HIS  84          3HB       HIS  84  90.597   9.707  -4.533
  641    HD1  HIS  84           HD1      HIS  84  91.923  10.444  -2.423
  642    HD2  HIS  84           HD2      HIS  84  93.509  11.928  -5.985
  643    HE1  HIS  84           HE1      HIS  84  93.580  12.245  -1.776
  644    H    TYR  85           HN       TYR  85  90.729   7.083  -3.749
  645    HA   TYR  85           HA       TYR  85  92.134   7.382  -1.287
  646   1HB   TYR  85          2HB       TYR  85  89.761   6.495  -1.635
  647   2HB   TYR  85          3HB       TYR  85  90.494   4.968  -2.098
  648    HD1  TYR  85           HD2      TYR  85  90.994   7.504   0.634
  649    HD2  TYR  85           HD1      TYR  85  90.519   3.367  -0.416
  650    HE1  TYR  85           HE2      TYR  85  91.165   6.878   3.024
  651    HE2  TYR  85           HE1      TYR  85  90.700   2.740   1.975
  652    HH   TYR  85           HH       TYR  85  91.041   3.460   4.047
  653    H    GLN  86           HN       GLN  86  92.795   5.456  -4.079
  654    HA   GLN  86           HA       GLN  86  94.553   3.551  -2.680
  655   1HB   GLN  86          2HB       GLN  86  93.482   2.817  -4.775
  656   2HB   GLN  86          3HB       GLN  86  94.189   4.175  -5.643
  657   1HG   GLN  86          2HG       GLN  86  96.240   2.698  -4.219
  658   2HG   GLN  86          3HG       GLN  86  95.329   1.629  -5.285
  659   1HE2  GLN  86          HE22      GLN  86  97.436   2.726  -7.892
  660   2HE2  GLN  86          HE21      GLN  86  96.901   1.420  -6.949
  661    H    HIS  87           HN       HIS  87  94.798   6.689  -4.183
  662    HA   HIS  87           HA       HIS  87  97.761   6.543  -4.086
  663   1HB   HIS  87          2HB       HIS  87  96.640   7.474  -6.123
  664   2HB   HIS  87          3HB       HIS  87  95.994   8.779  -5.129
  665    HD1  HIS  87           HD1      HIS  87  99.389   7.255  -5.982
  666    HD2  HIS  87           HD2      HIS  87  97.721  10.935  -4.956
  667    HE1  HIS  87           HE1      HIS  87 101.261   8.956  -6.134
  668    H    THR  88           HN       THR  88  95.182   7.421  -2.131
  669    HA   THR  88           HA       THR  88  96.686   9.582  -0.753
  670    HB   THR  88           HB       THR  88  93.929   8.474  -0.154
  671    HG1  THR  88           HG1      THR  88  94.187   9.406  -2.273
  672   1HG2  THR  88          HG23      THR  88  95.609  10.732   0.844
  673   2HG2  THR  88          HG22      THR  88  93.865  10.972   0.745
  674   3HG2  THR  88          HG21      THR  88  94.521   9.667   1.735
  675    H    SER  89           HN       SER  89  97.557   9.282   1.294
  676    HA   SER  89           HA       SER  89  97.795   6.487   2.196
  677   1HB   SER  89          2HB       SER  89  99.811   7.874   2.181
  678   2HB   SER  89          3HB       SER  89  99.035   9.055   3.232
  679    HG   SER  89           HG       SER  89 100.433   7.449   4.278
  680    H    LEU  90           HN       LEU  90  96.639   5.650   3.864
  681    HA   LEU  90           HA       LEU  90  94.508   7.184   5.087
  682   1HB   LEU  90          2HB       LEU  90  95.618   4.414   5.495
  683   2HB   LEU  90          3HB       LEU  90  94.398   5.064   6.586
  684    HG   LEU  90           HG       LEU  90  92.951   5.534   4.589
  685   1HD1  LEU  90          HD12      LEU  90  95.116   3.950   3.164
  686   2HD1  LEU  90          HD11      LEU  90  93.532   4.316   2.481
  687   3HD1  LEU  90          HD13      LEU  90  94.656   5.623   2.847
  688   1HD2  LEU  90          HD23      LEU  90  93.833   2.807   5.445
  689   2HD2  LEU  90          HD22      LEU  90  92.276   3.603   5.672
  690   3HD2  LEU  90          HD21      LEU  90  92.704   2.928   4.098
  691    H    VAL  91           HN       VAL  91  97.836   6.699   5.861
  692    HA   VAL  91           HA       VAL  91  98.101   6.667   8.584
  693    HB   VAL  91           HB       VAL  91 100.028   7.035   7.123
  694   1HG1  VAL  91          HG12      VAL  91  98.775   8.679   5.628
  695   2HG1  VAL  91          HG11      VAL  91  99.101   9.906   6.853
  696   3HG1  VAL  91          HG13      VAL  91 100.439   9.118   6.014
  697   1HG2  VAL  91          HG21      VAL  91  99.548   8.322   9.604
  698   2HG2  VAL  91          HG23      VAL  91 101.110   7.897   8.906
  699   3HG2  VAL  91          HG22      VAL  91 100.411   9.488   8.603
  700    H    GLN  92           HN       GLN  92  97.002   9.503   6.726
  701    HA   GLN  92           HA       GLN  92  96.906  11.416   8.738
  702   1HB   GLN  92          2HB       GLN  92  96.178  11.750   6.357
  703   2HB   GLN  92          3HB       GLN  92  94.659  10.951   6.769
  704   1HG   GLN  92          2HG       GLN  92  94.213  12.626   8.496
  705   2HG   GLN  92          3HG       GLN  92  95.752  13.417   8.148
  706   1HE2  GLN  92          HE22      GLN  92  92.911  15.028   6.209
  707   2HE2  GLN  92          HE21      GLN  92  93.074  14.631   7.851
  708    H    HIS  93           HN       HIS  93  94.800   8.618   8.365
  709    HA   HIS  93           HA       HIS  93  92.964   9.582  10.445
  710   1HB   HIS  93          2HB       HIS  93  93.196   6.912   9.024
  711   2HB   HIS  93          3HB       HIS  93  91.925   7.318  10.179
  712    HD1  HIS  93           HD1      HIS  93  90.216   9.152   9.484
  713    HD2  HIS  93           HD2      HIS  93  92.907   8.134   6.468
  714    HE1  HIS  93           HE1      HIS  93  89.315  10.170   7.352
  715    H    ASN  94           HN       ASN  94  93.197   9.186  12.594
  716    HA   ASN  94           HA       ASN  94  94.180   8.429  14.583
  717   1HB   ASN  94          2HB       ASN  94  94.606   5.966  12.856
  718   2HB   ASN  94          3HB       ASN  94  94.910   6.019  14.590
  719   1HD2  ASN  94          HD22      ASN  94  91.233   5.144  13.451
  720   2HD2  ASN  94          HD21      ASN  94  92.637   4.904  12.525
  721    H    ASP  95           HN       ASP  95  95.762   9.367  11.968
  722    HA   ASP  95           HA       ASP  95  98.021   9.759  11.407
  723   1HB   ASP  95          2HB       ASP  95  97.626  11.201  13.436
  724   2HB   ASP  95          3HB       ASP  95  98.270   9.892  14.426
  725    H    SER  96           HN       SER  96  97.291   6.953  11.707
  726    HA   SER  96           HA       SER  96 100.007   5.911  12.063
  727   1HB   SER  96          2HB       SER  96  97.734   4.944  13.820
  728   2HB   SER  96          3HB       SER  96  99.333   4.209  13.728
  729    HG   SER  96           HG       SER  96  98.731   6.878  14.502
  730    H    LEU  97           HN       LEU  97  97.520   6.073  10.153
  731    HA   LEU  97           HA       LEU  97  97.349   3.145   9.602
  732   1HB   LEU  97          2HB       LEU  97  95.725   5.461   8.504
  733   2HB   LEU  97          3HB       LEU  97  95.489   3.766   8.076
  734    HG   LEU  97           HG       LEU  97  95.215   4.970  10.845
  735   1HD1  LEU  97          HD12      LEU  97  93.397   4.752   8.684
  736   2HD1  LEU  97          HD11      LEU  97  92.940   3.504   9.843
  737   3HD1  LEU  97          HD13      LEU  97  93.028   5.188  10.354
  738   1HD2  LEU  97          HD22      LEU  97  95.328   2.167   9.811
  739   2HD2  LEU  97          HD21      LEU  97  95.999   2.828  11.301
  740   3HD2  LEU  97          HD23      LEU  97  94.268   2.522  11.172
  741    H    ASN  98           HN       ASN  98  99.633   3.367   8.907
  742    HA   ASN  98           HA       ASN  98 100.182   4.912   6.502
  743   1HB   ASN  98          2HB       ASN  98 101.831   4.377   8.334
  744   2HB   ASN  98          3HB       ASN  98 101.846   2.713   7.748
  745   1HD2  ASN  98          HD22      ASN  98 102.997   5.216   4.748
  746   2HD2  ASN  98          HD21      ASN  98 101.442   5.318   5.423
  747    H    VAL  99           HN       VAL  99  98.582   4.051   5.068
  748    HA   VAL  99           HA       VAL  99  99.539   1.809   3.499
  749    HB   VAL  99           HB       VAL  99  98.275   0.744   5.450
  750   1HG1  VAL  99          HG13      VAL  99  96.474   2.420   5.575
  751   2HG1  VAL  99          HG12      VAL  99  95.925   1.961   3.965
  752   3HG1  VAL  99          HG11      VAL  99  95.810   0.813   5.292
  753   1HG2  VAL  99          HG23      VAL  99  97.475   0.313   2.570
  754   2HG2  VAL  99          HG22      VAL  99  98.641  -0.603   3.521
  755   3HG2  VAL  99          HG21      VAL  99  96.919  -0.744   3.865
  756    H    THR 100           HN       THR 100  98.118   1.489   1.598
  757    HA   THR 100           HA       THR 100  96.301   3.792   1.035
  758    HB   THR 100           HB       THR 100  97.305   3.983  -1.208
  759    HG1  THR 100           HG1      THR 100  99.018   1.976  -0.183
  760   1HG2  THR 100          HG22      THR 100  98.692   4.555   1.290
  761   2HG2  THR 100          HG21      THR 100  99.806   4.397  -0.065
  762   3HG2  THR 100          HG23      THR 100  98.491   5.569  -0.136
  763    H    LEU 101           HN       LEU 101  94.393   3.075   0.093
  764    HA   LEU 101           HA       LEU 101  93.810   0.320  -0.139
  765   1HB   LEU 101          2HB       LEU 101  91.815   1.387  -0.313
  766   2HB   LEU 101          3HB       LEU 101  92.572   2.860  -0.906
  767    HG   LEU 101           HG       LEU 101  92.518   2.094  -3.143
  768   1HD1  LEU 101          HD12      LEU 101  92.450  -0.545  -1.914
  769   2HD1  LEU 101          HD11      LEU 101  91.247  -0.385  -3.185
  770   3HD1  LEU 101          HD13      LEU 101  92.941  -0.097  -3.549
  771   1HD2  LEU 101          HD21      LEU 101  90.038   1.571  -1.574
  772   2HD2  LEU 101          HD23      LEU 101  90.394   2.895  -2.678
  773   3HD2  LEU 101          HD22      LEU 101  90.046   1.296  -3.315
  774    H    ALA 102           HN       ALA 102  95.457  -0.800  -1.237
  775    HA   ALA 102           HA       ALA 102  96.277   0.232  -3.864
  776   1HB   ALA 102           HB2      ALA 102  97.367  -1.620  -1.871
  777   2HB   ALA 102           HB1      ALA 102  97.584  -2.174  -3.533
  778   3HB   ALA 102           HB3      ALA 102  98.206  -0.601  -3.042
  779    H    TYR 103           HN       TYR 103  94.931  -2.902  -2.653
  780    HA   TYR 103           HA       TYR 103  93.910  -3.281  -5.434
  781   1HB   TYR 103          2HB       TYR 103  95.096  -5.351  -3.584
  782   2HB   TYR 103          3HB       TYR 103  94.313  -5.723  -5.120
  783    HD1  TYR 103           HD1      TYR 103  95.268  -4.874  -7.250
  784    HD2  TYR 103           HD2      TYR 103  97.317  -4.410  -3.506
  785    HE1  TYR 103           HE1      TYR 103  97.373  -4.368  -8.467
  786    HE2  TYR 103           HE2      TYR 103  99.421  -3.904  -4.716
  787    HH   TYR 103           HH       TYR 103  99.520  -3.785  -8.276
  788    HA   PRO 104           HA       PRO 104  89.834  -3.758  -3.591
  789   1HB   PRO 104          2HB       PRO 104  89.425  -5.738  -5.762
  790   2HB   PRO 104          3HB       PRO 104  88.476  -4.310  -5.340
  791   1HG   PRO 104          2HG       PRO 104  90.090  -4.400  -7.485
  792   2HG   PRO 104          3HG       PRO 104  89.769  -2.912  -6.583
  793   1HD   PRO 104          2HD       PRO 104  92.235  -4.564  -6.654
  794   2HD   PRO 104          3HD       PRO 104  92.032  -2.836  -6.286
  795    H    VAL 105           HN       VAL 105  88.578  -5.502  -2.571
  796    HA   VAL 105           HA       VAL 105  90.278  -7.574  -1.460
  797    HB   VAL 105           HB       VAL 105  88.602  -6.629  -0.049
  798   1HG1  VAL 105          HG11      VAL 105  86.799  -7.302  -2.352
  799   2HG1  VAL 105          HG13      VAL 105  86.132  -7.230  -0.717
  800   3HG1  VAL 105          HG12      VAL 105  86.906  -5.812  -1.414
  801   1HG2  VAL 105          HG23      VAL 105  88.937  -9.350  -0.422
  802   2HG2  VAL 105          HG22      VAL 105  88.100  -8.611   0.942
  803   3HG2  VAL 105          HG21      VAL 105  87.186  -9.172  -0.459
  804    H    TYR 106           HN       TYR 106  87.846  -7.420  -3.993
  805    HA   TYR 106           HA       TYR 106  88.255 -10.340  -4.484
  806   1HB   TYR 106          2HB       TYR 106  85.907  -8.528  -4.890
  807   2HB   TYR 106          3HB       TYR 106  86.118  -9.897  -5.981
  808    HD1  TYR 106           HD1      TYR 106  86.281 -12.207  -5.068
  809    HD2  TYR 106           HD2      TYR 106  85.183  -8.872  -2.599
  810    HE1  TYR 106           HE1      TYR 106  85.365 -13.769  -3.379
  811    HE2  TYR 106           HE2      TYR 106  84.265 -10.439  -0.899
  812    HH   TYR 106           HH       TYR 106  83.517 -12.640  -0.644
  813    H    ALA 107           HN       ALA 107  90.074  -8.253  -5.302
  814    HA   ALA 107           HA       ALA 107  89.656  -7.723  -8.135
  815   1HB   ALA 107           HB1      ALA 107  91.325  -6.740  -6.100
  816   2HB   ALA 107           HB3      ALA 107  92.410  -7.502  -7.261
  817   3HB   ALA 107           HB2      ALA 107  91.308  -6.229  -7.788
  818    H    GLN 108           HN       GLN 108  91.655  -9.964  -6.229
  819    HA   GLN 108           HA       GLN 108  93.003 -11.130  -8.483
  820   1HB   GLN 108          2HB       GLN 108  92.423 -12.332  -5.761
  821   2HB   GLN 108          3HB       GLN 108  93.607 -12.932  -6.922
  822   1HG   GLN 108          2HG       GLN 108  94.775 -10.735  -6.825
  823   2HG   GLN 108          3HG       GLN 108  93.632 -10.214  -5.586
  824   1HE2  GLN 108          HE22      GLN 108  95.800 -11.536  -3.151
  825   2HE2  GLN 108          HE21      GLN 108  94.926 -10.195  -3.716
  826    H    GLN 109           HN       GLN 109  89.890 -11.789  -6.961
  827    HA   GLN 109           HA       GLN 109  89.573 -14.265  -8.555
  828   1HB   GLN 109          2HB       GLN 109  87.825 -12.934  -6.471
  829   2HB   GLN 109          3HB       GLN 109  87.365 -14.405  -7.335
  830   1HG   GLN 109          2HG       GLN 109  89.384 -15.536  -6.518
  831   2HG   GLN 109          3HG       GLN 109  89.884 -14.066  -5.682
  832   1HE2  GLN 109          HE22      GLN 109  88.261 -15.577  -2.890
  833   2HE2  GLN 109          HE21      GLN 109  89.767 -15.271  -3.611
  834    H    ARG 110           HN       ARG 110  88.588 -14.264 -10.488
  835    HA   ARG 110           HA       ARG 110  86.711 -12.027 -11.115
  836   1HB   ARG 110          2HB       ARG 110  88.797 -13.227 -12.962
  837   2HB   ARG 110          3HB       ARG 110  87.620 -11.988 -13.407
  838   1HG   ARG 110          2HG       ARG 110  88.553 -10.462 -11.734
  839   2HG   ARG 110          3HG       ARG 110  89.704 -11.701 -11.225
  840   1HD   ARG 110          2HD       ARG 110  90.885 -10.268 -12.737
  841   2HD   ARG 110          3HD       ARG 110  90.528 -11.747 -13.629
  842    HE   ARG 110           HE       ARG 110  88.364 -10.074 -14.150
  843   1HH1  ARG 110          HH21      ARG 110  91.790  -9.961 -14.421
  844   2HH1  ARG 110          HH22      ARG 110  91.787  -8.865 -15.761
  845   1HH2  ARG 110          HH11      ARG 110  88.322  -8.637 -15.887
  846   2HH2  ARG 110          HH12      ARG 110  89.812  -8.122 -16.606
  847    H    ARG 111           HN       ARG 111  85.006 -12.605 -12.518
  848    HA   ARG 111           HA       ARG 111  84.556 -15.550 -12.736
  849   1HB   ARG 111          2HB       ARG 111  82.614 -13.224 -12.609
  850   2HB   ARG 111          3HB       ARG 111  82.135 -14.905 -12.850
  851   1HG   ARG 111          2HG       ARG 111  83.399 -15.422 -10.684
  852   2HG   ARG 111          3HG       ARG 111  83.458 -13.676 -10.425
  853   1HD   ARG 111          2HD       ARG 111  80.799 -14.199 -11.130
  854   2HD   ARG 111          3HD       ARG 111  81.234 -15.518 -10.046
  855    HE   ARG 111           HE       ARG 111  80.592 -12.945  -9.163
  856   1HH1  ARG 111          HH21      ARG 111  83.290 -15.067  -9.040
  857   2HH1  ARG 111          HH22      ARG 111  83.947 -14.370  -7.597
  858   1HH2  ARG 111          HH11      ARG 111  81.415 -12.025  -7.265
  859   2HH2  ARG 111          HH12      ARG 111  82.893 -12.637  -6.601
   
  No H/Q in entry =         859
  Start of MODEL    2
    1   1H    GLU   1           HT3      GLU   1  95.862  -1.734 -18.119
    2   2H    GLU   1           HT2      GLU   1  95.443  -1.526 -19.749
    3   3H    GLU   1           HT1      GLU   1  97.044  -1.274 -19.243
    4    HA   GLU   1           HA       GLU   1  96.563   0.713 -18.191
    5   1HB   GLU   1          2HB       GLU   1  96.386   0.845 -20.677
    6   2HB   GLU   1          3HB       GLU   1  94.648   0.574 -20.538
    7   1HG   GLU   1          2HG       GLU   1  94.332   2.621 -19.336
    8   2HG   GLU   1          3HG       GLU   1  96.066   2.836 -19.119
    9    H    ASP   2           HN       ASP   2  93.598  -1.121 -18.857
   10    HA   ASP   2           HA       ASP   2  91.825   0.575 -17.376
   11   1HB   ASP   2          2HB       ASP   2  91.732  -2.372 -18.077
   12   2HB   ASP   2          3HB       ASP   2  90.414  -1.545 -17.238
   13    H    LEU   3           HN       LEU   3  91.308   0.585 -15.178
   14    HA   LEU   3           HA       LEU   3  93.124  -0.993 -13.431
   15   1HB   LEU   3          2HB       LEU   3  91.370   1.410 -12.833
   16   2HB   LEU   3          3HB       LEU   3  92.394   0.591 -11.654
   17    HG   LEU   3           HG       LEU   3  93.419   1.845 -14.220
   18   1HD1  LEU   3          HD12      LEU   3  93.058   2.898 -11.437
   19   2HD1  LEU   3          HD11      LEU   3  94.485   3.395 -12.345
   20   3HD1  LEU   3          HD13      LEU   3  92.874   3.731 -12.980
   21   1HD2  LEU   3          HD22      LEU   3  94.680   0.447 -11.864
   22   2HD2  LEU   3          HD21      LEU   3  94.972   0.192 -13.583
   23   3HD2  LEU   3          HD23      LEU   3  95.597   1.636 -12.790
   24    HA   PRO   4           HA       PRO   4  89.795  -3.824 -12.465
   25   1HB   PRO   4          2HB       PRO   4  90.959  -3.872  -9.732
   26   2HB   PRO   4          3HB       PRO   4  90.640  -5.215 -10.843
   27   1HG   PRO   4          2HG       PRO   4  93.115  -4.266 -10.344
   28   2HG   PRO   4          3HG       PRO   4  92.647  -5.009 -11.881
   29   1HD   PRO   4          2HD       PRO   4  93.195  -2.160 -11.273
   30   2HD   PRO   4          3HD       PRO   4  93.263  -3.025 -12.826
   31    H    HIS   5           HN       HIS   5  90.469  -0.876 -10.870
   32    HA   HIS   5           HA       HIS   5  88.349  -0.861  -8.932
   33   1HB   HIS   5          2HB       HIS   5  89.704   1.439 -10.374
   34   2HB   HIS   5          3HB       HIS   5  88.697   1.596  -8.938
   35    HD1  HIS   5           HD1      HIS   5  89.600  -0.283  -6.954
   36    HD2  HIS   5           HD2      HIS   5  92.357   1.332  -9.630
   37    HE1  HIS   5           HE1      HIS   5  91.887  -0.607  -5.918
   38    H    HIS   6           HN       HIS   6  88.356  -0.775 -12.330
   39    HA   HIS   6           HA       HIS   6  86.075   0.890 -12.836
   40   1HB   HIS   6          2HB       HIS   6  87.264  -1.462 -14.334
   41   2HB   HIS   6          3HB       HIS   6  85.862  -0.575 -14.932
   42    HD1  HIS   6           HD1      HIS   6  87.716  -0.051 -16.931
   43    HD2  HIS   6           HD2      HIS   6  88.254   1.883 -13.276
   44    HE1  HIS   6           HE1      HIS   6  89.275   1.898 -17.374
   45    H    ASP   7           HN       ASP   7  86.430  -2.455 -11.792
   46    HA   ASP   7           HA       ASP   7  83.494  -2.824 -11.923
   47   1HB   ASP   7          2HB       ASP   7  85.756  -4.757 -11.401
   48   2HB   ASP   7          3HB       ASP   7  84.045  -5.201 -11.367
   49    H    GLU   8           HN       GLU   8  82.270  -2.875 -10.086
   50    HA   GLU   8           HA       GLU   8  83.398  -2.006  -7.575
   51   1HB   GLU   8          2HB       GLU   8  80.680  -3.099  -8.322
   52   2HB   GLU   8          3HB       GLU   8  81.079  -2.532  -6.705
   53   1HG   GLU   8          2HG       GLU   8  81.502  -0.312  -7.488
   54   2HG   GLU   8          3HG       GLU   8  81.441  -0.825  -9.175
   55    H    LYS   9           HN       LYS   9  82.713  -5.118  -8.971
   56    HA   LYS   9           HA       LYS   9  82.609  -6.712  -6.617
   57   1HB   LYS   9          2HB       LYS   9  83.060  -8.568  -8.065
   58   2HB   LYS   9          3HB       LYS   9  82.162  -7.405  -9.052
   59   1HG   LYS   9          2HG       LYS   9  84.519  -6.447  -9.625
   60   2HG   LYS   9          3HG       LYS   9  85.113  -8.006  -9.062
   61   1HD   LYS   9          2HD       LYS   9  83.751  -9.170 -10.709
   62   2HD   LYS   9          3HD       LYS   9  83.022  -7.646 -11.225
   63   1HE   LYS   9          2HE       LYS   9  85.439  -6.861 -11.668
   64   2HE   LYS   9          3HE       LYS   9  85.880  -8.561 -11.559
   65   1HZ   LYS   9           HZ3      LYS   9  83.660  -7.727 -13.302
   66   2HZ   LYS   9           HZ2      LYS   9  85.263  -7.549 -13.836
   67   3HZ   LYS   9           HZ1      LYS   9  84.667  -9.087 -13.425
   68    H    THR  10           HN       THR  10  85.359  -5.466  -8.459
   69    HA   THR  10           HA       THR  10  87.390  -7.047  -7.262
   70    HB   THR  10           HB       THR  10  88.871  -5.020  -7.830
   71    HG1  THR  10           HG1      THR  10  87.870  -3.424  -9.016
   72   1HG2  THR  10          HG21      THR  10  87.247  -6.704  -9.655
   73   2HG2  THR  10          HG23      THR  10  88.076  -5.331 -10.389
   74   3HG2  THR  10          HG22      THR  10  88.999  -6.555  -9.518
   75    H    TRP  11           HN       TRP  11  85.768  -4.134  -6.096
   76    HA   TRP  11           HA       TRP  11  87.363  -4.413  -3.582
   77   1HB   TRP  11          2HB       TRP  11  86.378  -1.859  -3.487
   78   2HB   TRP  11          3HB       TRP  11  87.989  -2.281  -4.068
   79    HD1  TRP  11           HD1      TRP  11  88.006  -2.970  -6.813
   80    HE1  TRP  11           HE1      TRP  11  86.809  -1.749  -8.746
   81    HE3  TRP  11           HE3      TRP  11  84.526  -0.403  -4.149
   82    HZ2  TRP  11           HZ2      TRP  11  84.641   0.133  -9.080
   83    HZ3  TRP  11           HZ3      TRP  11  82.914   1.095  -5.273
   84    HH2  TRP  11           HH2      TRP  11  82.968   1.368  -7.736
   85    H    ASN  12           HN       ASN  12  84.167  -3.699  -4.968
   86    HA   ASN  12           HA       ASN  12  82.952  -3.629  -2.294
   87   1HB   ASN  12          2HB       ASN  12  82.145  -2.216  -4.222
   88   2HB   ASN  12          3HB       ASN  12  81.550  -3.701  -4.964
   89   1HD2  ASN  12          HD22      ASN  12  78.538  -3.249  -3.178
   90   2HD2  ASN  12          HD21      ASN  12  79.281  -3.429  -4.692
   91    H    VAL  13           HN       VAL  13  82.272  -5.418  -1.252
   92    HA   VAL  13           HA       VAL  13  82.044  -7.949  -2.780
   93    HB   VAL  13           HB       VAL  13  81.934  -7.414   0.207
   94   1HG1  VAL  13          HG11      VAL  13  81.782  -9.903  -1.482
   95   2HG1  VAL  13          HG13      VAL  13  82.441  -9.975   0.152
   96   3HG1  VAL  13          HG12      VAL  13  80.780  -9.437  -0.110
   97   1HG2  VAL  13          HG22      VAL  13  84.121  -8.064  -1.732
   98   2HG2  VAL  13          HG21      VAL  13  84.164  -7.031  -0.306
   99   3HG2  VAL  13          HG23      VAL  13  84.197  -8.787  -0.122
  100    H    GLY  14           HN       GLY  14  80.108  -5.399  -1.850
  101   1HA   GLY  14          2HA       GLY  14  77.755  -5.351  -2.442
  102   2HA   GLY  14          3HA       GLY  14  77.679  -7.092  -2.156
  103    H    SER  15           HN       SER  15  75.783  -6.512  -0.785
  104    HA   SER  15           HA       SER  15  76.311  -5.025   1.675
  105   1HB   SER  15          2HB       SER  15  73.917  -6.741   0.955
  106   2HB   SER  15          3HB       SER  15  73.998  -5.525   2.226
  107    HG   SER  15           HG       SER  15  73.047  -4.763   0.250
  108    H    SER  16           HN       SER  16  78.216  -6.762   1.895
  109    HA   SER  16           HA       SER  16  77.376  -9.317   3.038
  110   1HB   SER  16          2HB       SER  16  79.767  -9.674   3.430
  111   2HB   SER  16          3HB       SER  16  79.519  -9.058   1.798
  112    HG   SER  16           HG       SER  16  80.639  -7.838   4.047
  113    H    ASN  17           HN       ASN  17  77.801  -9.915   5.298
  114    HA   ASN  17           HA       ASN  17  76.956  -7.864   7.151
  115   1HB   ASN  17          2HB       ASN  17  78.070 -10.646   7.623
  116   2HB   ASN  17          3HB       ASN  17  77.384  -9.625   8.885
  117   1HD2  ASN  17          HD22      ASN  17  74.882 -11.884   6.816
  118   2HD2  ASN  17          HD21      ASN  17  76.542 -12.180   6.995
  119    H    ARG  18           HN       ARG  18  78.201  -6.725   8.676
  120    HA   ARG  18           HA       ARG  18  80.906  -6.152   8.004
  121   1HB   ARG  18          2HB       ARG  18  79.331  -5.704  10.548
  122   2HB   ARG  18          3HB       ARG  18  80.981  -5.129  10.335
  123   1HG   ARG  18          2HG       ARG  18  80.251  -3.914   8.283
  124   2HG   ARG  18          3HG       ARG  18  78.594  -4.414   8.606
  125   1HD   ARG  18          2HD       ARG  18  78.610  -3.254  10.738
  126   2HD   ARG  18          3HD       ARG  18  80.309  -2.841  10.555
  127    HE   ARG  18           HE       ARG  18  78.069  -1.377   9.516
  128   1HH1  ARG  18          HH21      ARG  18  81.172  -2.545   8.541
  129   2HH1  ARG  18          HH22      ARG  18  81.307  -1.434   7.220
  130   1HH2  ARG  18          HH11      ARG  18  78.243   0.066   7.815
  131   2HH2  ARG  18          HH12      ARG  18  79.653   0.042   6.811
  132    H    ASN  19           HN       ASN  19  79.514  -8.434  10.358
  133    HA   ASN  19           HA       ASN  19  81.998  -9.182  11.570
  134   1HB   ASN  19          2HB       ASN  19  80.825 -11.157  12.368
  135   2HB   ASN  19          3HB       ASN  19  79.719  -9.786  12.460
  136   1HD2  ASN  19          HD22      ASN  19  78.016 -12.712  10.780
  137   2HD2  ASN  19          HD21      ASN  19  78.831 -12.545  12.261
  138    H    LYS  20           HN       LYS  20  80.229 -10.438   8.748
  139    HA   LYS  20           HA       LYS  20  82.014 -12.575   8.135
  140   1HB   LYS  20          2HB       LYS  20  79.785 -12.243   7.057
  141   2HB   LYS  20          3HB       LYS  20  80.450 -10.866   6.178
  142   1HG   LYS  20          2HG       LYS  20  82.241 -12.437   5.294
  143   2HG   LYS  20          3HG       LYS  20  81.295 -13.763   5.973
  144   1HD   LYS  20          2HD       LYS  20  79.396 -13.220   4.594
  145   2HD   LYS  20          3HD       LYS  20  80.157 -11.725   4.049
  146   1HE   LYS  20          2HE       LYS  20  81.903 -12.986   2.898
  147   2HE   LYS  20          3HE       LYS  20  81.244 -14.503   3.507
  148   1HZ   LYS  20           HZ3      LYS  20  79.250 -12.931   2.221
  149   2HZ   LYS  20           HZ2      LYS  20  80.551 -13.240   1.175
  150   3HZ   LYS  20           HZ1      LYS  20  79.721 -14.530   1.911
  151    H    ALA  21           HN       ALA  21  82.101  -9.122   7.353
  152    HA   ALA  21           HA       ALA  21  84.242  -9.171   5.483
  153   1HB   ALA  21           HB3      ALA  21  82.731  -7.220   6.821
  154   2HB   ALA  21           HB2      ALA  21  84.404  -6.895   7.281
  155   3HB   ALA  21           HB1      ALA  21  83.947  -6.931   5.576
  156    H    GLU  22           HN       GLU  22  84.180  -9.302   9.003
  157    HA   GLU  22           HA       GLU  22  86.944  -8.872   9.500
  158   1HB   GLU  22          2HB       GLU  22  85.179  -9.021  11.278
  159   2HB   GLU  22          3HB       GLU  22  85.095 -10.762  10.996
  160   1HG   GLU  22          2HG       GLU  22  87.358 -11.080  11.686
  161   2HG   GLU  22          3HG       GLU  22  87.683  -9.349  11.653
  162    H    ASN  23           HN       ASN  23  85.126 -11.816   8.701
  163    HA   ASN  23           HA       ASN  23  87.264 -13.680   8.853
  164   1HB   ASN  23          2HB       ASN  23  84.842 -14.261   8.581
  165   2HB   ASN  23          3HB       ASN  23  84.926 -13.684   6.923
  166   1HD2  ASN  23          HD22      ASN  23  86.640 -17.272   7.902
  167   2HD2  ASN  23          HD21      ASN  23  86.185 -16.191   9.129
  168    H    LEU  24           HN       LEU  24  86.042 -11.724   6.118
  169    HA   LEU  24           HA       LEU  24  88.055 -12.586   4.242
  170   1HB   LEU  24          2HB       LEU  24  86.300 -10.123   4.372
  171   2HB   LEU  24          3HB       LEU  24  87.367 -10.487   3.015
  172    HG   LEU  24           HG       LEU  24  84.843 -11.247   2.968
  173   1HD1  LEU  24          HD11      LEU  24  86.655 -11.734   1.294
  174   2HD1  LEU  24          HD13      LEU  24  87.039 -13.189   2.214
  175   3HD1  LEU  24          HD12      LEU  24  85.461 -13.024   1.448
  176   1HD2  LEU  24          HD23      LEU  24  84.924 -12.472   5.111
  177   2HD2  LEU  24          HD22      LEU  24  84.534 -13.545   3.778
  178   3HD2  LEU  24          HD21      LEU  24  86.155 -13.545   4.456
  179    H    LEU  25           HN       LEU  25  87.871 -10.014   6.660
  180    HA   LEU  25           HA       LEU  25  90.401  -8.803   5.773
  181   1HB   LEU  25          2HB       LEU  25  88.724  -8.446   8.276
  182   2HB   LEU  25          3HB       LEU  25  90.178  -7.513   7.924
  183    HG   LEU  25           HG       LEU  25  87.960  -7.626   5.896
  184   1HD1  LEU  25          HD12      LEU  25  87.305  -6.857   8.396
  185   2HD1  LEU  25          HD11      LEU  25  88.033  -5.355   7.831
  186   3HD1  LEU  25          HD13      LEU  25  86.662  -6.053   6.969
  187   1HD2  LEU  25          HD21      LEU  25  90.206  -6.650   5.358
  188   2HD2  LEU  25          HD23      LEU  25  88.904  -5.464   5.256
  189   3HD2  LEU  25          HD22      LEU  25  89.970  -5.483   6.660
  190    H    ARG  26           HN       ARG  26  89.407 -11.437   7.713
  191    HA   ARG  26           HA       ARG  26  91.669 -11.469   9.514
  192   1HB   ARG  26          2HB       ARG  26  89.247 -12.956   9.093
  193   2HB   ARG  26          3HB       ARG  26  90.601 -14.085   9.190
  194   1HG   ARG  26          2HG       ARG  26  91.337 -12.757  11.259
  195   2HG   ARG  26          3HG       ARG  26  89.729 -12.030  11.217
  196   1HD   ARG  26          2HD       ARG  26  89.217 -14.742  10.912
  197   2HD   ARG  26          3HD       ARG  26  90.540 -14.714  12.079
  198    HE   ARG  26           HE       ARG  26  87.894 -14.200  12.767
  199   1HH1  ARG  26          HH21      ARG  26  90.822 -12.371  12.748
  200   2HH1  ARG  26          HH22      ARG  26  90.355 -11.370  14.079
  201   1HH2  ARG  26          HH11      ARG  26  87.287 -12.913  14.514
  202   2HH2  ARG  26          HH12      ARG  26  88.362 -11.674  15.077
  203    H    GLY  27           HN       GLY  27  93.699 -12.026   8.971
  204   1HA   GLY  27          2HA       GLY  27  95.453 -13.219   7.932
  205   2HA   GLY  27          3HA       GLY  27  94.237 -14.248   7.164
  206    H    LYS  28           HN       LYS  28  93.783 -10.852   6.861
  207    HA   LYS  28           HA       LYS  28  94.395 -11.077   3.974
  208   1HB   LYS  28          2HB       LYS  28  92.172 -10.169   4.805
  209   2HB   LYS  28          3HB       LYS  28  93.066  -8.771   5.407
  210   1HG   LYS  28          2HG       LYS  28  92.381  -8.098   3.244
  211   2HG   LYS  28          3HG       LYS  28  94.053  -8.618   3.021
  212   1HD   LYS  28          2HD       LYS  28  92.319 -10.902   2.773
  213   2HD   LYS  28          3HD       LYS  28  91.743  -9.625   1.708
  214   1HE   LYS  28          2HE       LYS  28  94.036  -9.397   0.779
  215   2HE   LYS  28          3HE       LYS  28  94.568 -10.719   1.818
  216   1HZ   LYS  28           HZ3      LYS  28  92.281 -11.050  -0.016
  217   2HZ   LYS  28           HZ2      LYS  28  93.877 -11.268  -0.562
  218   3HZ   LYS  28           HZ1      LYS  28  93.262 -12.243   0.684
  219    H    ARG  29           HN       ARG  29  96.028  -9.949   3.046
  220    HA   ARG  29           HA       ARG  29  98.041  -8.731   4.744
  221   1HB   ARG  29          2HB       ARG  29  97.774  -8.840   1.725
  222   2HB   ARG  29          3HB       ARG  29  99.197  -8.246   2.585
  223   1HG   ARG  29          2HG       ARG  29  99.511 -10.428   3.645
  224   2HG   ARG  29          3HG       ARG  29  98.041 -11.031   2.878
  225   1HD   ARG  29          2HD       ARG  29  99.544  -9.973   0.772
  226   2HD   ARG  29          3HD       ARG  29 100.728 -10.801   1.780
  227    HE   ARG  29           HE       ARG  29  99.014 -12.127   0.026
  228   1HH1  ARG  29          HH21      ARG  29  99.617 -12.105   3.424
  229   2HH1  ARG  29          HH22      ARG  29  99.014 -13.709   3.670
  230   1HH2  ARG  29          HH11      ARG  29  98.216 -14.212   0.336
  231   2HH2  ARG  29          HH12      ARG  29  98.215 -14.898   1.928
  232    H    ASP  30           HN       ASP  30  98.810  -6.531   4.517
  233    HA   ASP  30           HA       ASP  30  96.750  -4.556   4.628
  234   1HB   ASP  30          2HB       ASP  30  98.587  -2.937   4.669
  235   2HB   ASP  30          3HB       ASP  30  98.993  -4.319   5.686
  236    H    GLY  31           HN       GLY  31  96.766  -2.594   3.098
  237   1HA   GLY  31          2HA       GLY  31  96.713  -1.674   0.915
  238   2HA   GLY  31          3HA       GLY  31  97.656  -3.054   0.355
  239    H    THR  32           HN       THR  32  95.678  -4.980   1.549
  240    HA   THR  32           HA       THR  32  93.886  -5.008  -0.759
  241    HB   THR  32           HB       THR  32  93.918  -6.843   1.650
  242    HG1  THR  32           HG1      THR  32  95.707  -7.460   0.748
  243   1HG2  THR  32          HG23      THR  32  92.133  -6.551  -0.578
  244   2HG2  THR  32          HG22      THR  32  92.995  -8.082  -0.737
  245   3HG2  THR  32          HG21      THR  32  92.076  -7.732   0.728
  246    H    PHE  33           HN       PHE  33  91.947  -3.922  -0.766
  247    HA   PHE  33           HA       PHE  33  90.540  -3.671   1.849
  248   1HB   PHE  33          2HB       PHE  33  90.590  -1.415   1.849
  249   2HB   PHE  33          3HB       PHE  33  91.853  -1.550   0.633
  250    HD1  PHE  33           HD2      PHE  33  88.296  -0.908   1.254
  251    HD2  PHE  33           HD1      PHE  33  91.342  -1.195  -1.761
  252    HE1  PHE  33           HE2      PHE  33  86.795   0.177  -0.386
  253    HE2  PHE  33           HE1      PHE  33  89.815  -0.099  -3.380
  254    HZ   PHE  33           HZ       PHE  33  87.545   0.577  -2.684
  255    H    LEU  34           HN       LEU  34  88.217  -2.969   1.533
  256    HA   LEU  34           HA       LEU  34  87.105  -3.609  -1.134
  257   1HB   LEU  34          2HB       LEU  34  85.563  -5.306  -0.222
  258   2HB   LEU  34          3HB       LEU  34  87.244  -5.791  -0.021
  259    HG   LEU  34           HG       LEU  34  85.970  -4.242   2.181
  260   1HD1  LEU  34          HD11      LEU  34  85.444  -7.155   1.554
  261   2HD1  LEU  34          HD13      LEU  34  85.190  -6.447   3.150
  262   3HD1  LEU  34          HD12      LEU  34  84.250  -5.877   1.770
  263   1HD2  LEU  34          HD21      LEU  34  87.995  -6.488   1.953
  264   2HD2  LEU  34          HD23      LEU  34  88.313  -4.811   2.399
  265   3HD2  LEU  34          HD22      LEU  34  87.418  -5.865   3.496
  266    H    VAL  35           HN       VAL  35  84.766  -3.106  -1.263
  267    HA   VAL  35           HA       VAL  35  84.027  -0.940   0.651
  268    HB   VAL  35           HB       VAL  35  83.182  -1.450  -2.215
  269   1HG1  VAL  35          HG13      VAL  35  81.764  -0.117  -0.090
  270   2HG1  VAL  35          HG12      VAL  35  82.283   1.081  -1.278
  271   3HG1  VAL  35          HG11      VAL  35  81.296  -0.289  -1.781
  272   1HG2  VAL  35          HG21      VAL  35  84.772   0.706  -0.807
  273   2HG2  VAL  35          HG23      VAL  35  85.342  -0.384  -2.071
  274   3HG2  VAL  35          HG22      VAL  35  84.171   0.885  -2.450
  275    H    ARG  36           HN       ARG  36  82.222  -1.216   1.904
  276    HA   ARG  36           HA       ARG  36  80.225  -3.287   1.139
  277   1HB   ARG  36          2HB       ARG  36  80.404  -4.442   3.254
  278   2HB   ARG  36          3HB       ARG  36  82.039  -4.339   2.590
  279   1HG   ARG  36          2HG       ARG  36  82.422  -2.279   3.945
  280   2HG   ARG  36          3HG       ARG  36  80.831  -2.489   4.671
  281   1HD   ARG  36          2HD       ARG  36  81.566  -4.750   5.477
  282   2HD   ARG  36          3HD       ARG  36  83.187  -4.381   4.884
  283    HE   ARG  36           HE       ARG  36  82.454  -2.207   6.501
  284   1HH1  ARG  36          HH21      ARG  36  82.872  -5.608   6.787
  285   2HH1  ARG  36          HH22      ARG  36  83.229  -5.555   8.480
  286   1HH2  ARG  36          HH11      ARG  36  82.915  -2.108   8.695
  287   2HH2  ARG  36          HH12      ARG  36  83.265  -3.566   9.562
  288    H    GLU  37           HN       GLU  37  78.363  -3.185   2.901
  289    HA   GLU  37           HA       GLU  37  78.130  -0.353   3.824
  290   1HB   GLU  37          2HB       GLU  37  75.968  -2.144   2.685
  291   2HB   GLU  37          3HB       GLU  37  75.698  -0.535   3.350
  292   1HG   GLU  37          2HG       GLU  37  77.194   0.433   1.662
  293   2HG   GLU  37          3HG       GLU  37  77.509  -1.178   1.007
  294    H    SER  38           HN       SER  38  76.371  -0.198   5.594
  295    HA   SER  38           HA       SER  38  77.011  -2.200   7.636
  296   1HB   SER  38          2HB       SER  38  75.005   0.088   7.601
  297   2HB   SER  38          3HB       SER  38  75.288  -0.947   8.996
  298    HG   SER  38           HG       SER  38  76.942   0.259   9.419
  299    H    SER  39           HN       SER  39  75.533  -2.578   4.981
  300    HA   SER  39           HA       SER  39  74.215  -4.470   4.396
  301   1HB   SER  39          2HB       SER  39  74.124  -5.049   6.922
  302   2HB   SER  39          3HB       SER  39  72.642  -4.093   6.955
  303    HG   SER  39           HG       SER  39  71.994  -5.468   5.115
  304    H    LYS  40           HN       LYS  40  72.579  -4.086   2.969
  305    HA   LYS  40           HA       LYS  40  70.810  -2.985   1.899
  306   1HB   LYS  40          2HB       LYS  40  70.138  -2.014   4.700
  307   2HB   LYS  40          3HB       LYS  40  69.068  -1.989   3.302
  308   1HG   LYS  40          2HG       LYS  40  70.303  -4.567   4.257
  309   2HG   LYS  40          3HG       LYS  40  68.818  -3.947   4.977
  310   1HD   LYS  40          2HD       LYS  40  67.850  -3.796   2.653
  311   2HD   LYS  40          3HD       LYS  40  69.285  -4.632   2.063
  312   1HE   LYS  40          2HE       LYS  40  68.788  -6.577   3.410
  313   2HE   LYS  40          3HE       LYS  40  67.473  -5.734   4.226
  314   1HZ   LYS  40           HZ1      LYS  40  67.064  -5.560   1.461
  315   2HZ   LYS  40           HZ3      LYS  40  67.368  -7.184   1.842
  316   3HZ   LYS  40           HZ2      LYS  40  66.107  -6.351   2.621
  317    H    GLN  41           HN       GLN  41  69.779  -0.373   3.052
  318    HA   GLN  41           HA       GLN  41  71.979   1.317   1.971
  319   1HB   GLN  41          2HB       GLN  41  69.030   1.873   2.391
  320   2HB   GLN  41          3HB       GLN  41  70.186   3.047   1.761
  321   1HG   GLN  41          2HG       GLN  41  70.668   1.611  -0.151
  322   2HG   GLN  41          3HG       GLN  41  69.613   0.350   0.497
  323   1HE2  GLN  41          HE22      GLN  41  66.896   3.087   0.093
  324   2HE2  GLN  41          HE21      GLN  41  67.774   2.666   1.482
  325    H    GLY  42           HN       GLY  42  71.595   0.207   4.833
  326   1HA   GLY  42          2HA       GLY  42  70.936   2.364   6.563
  327   2HA   GLY  42          3HA       GLY  42  71.972   1.010   7.002
  328    H    CYS  43           HN       CYS  43  74.177   1.284   5.461
  329    HA   CYS  43           HA       CYS  43  75.089   4.062   5.390
  330   1HB   CYS  43          2HB       CYS  43  75.271   3.552   7.799
  331   2HB   CYS  43          3HB       CYS  43  76.275   2.148   7.422
  332    HG   CYS  43           HG       CYS  43  77.157   5.109   6.925
  333    H    TYR  44           HN       TYR  44  77.453   4.147   4.717
  334    HA   TYR  44           HA       TYR  44  78.208   1.677   3.211
  335   1HB   TYR  44          2HB       TYR  44  78.516   4.567   2.351
  336   2HB   TYR  44          3HB       TYR  44  79.210   3.195   1.490
  337    HD1  TYR  44           HD2      TYR  44  75.986   4.613   2.715
  338    HD2  TYR  44           HD1      TYR  44  77.919   1.951  -0.049
  339    HE1  TYR  44           HE2      TYR  44  73.830   4.269   1.540
  340    HE2  TYR  44           HE1      TYR  44  75.761   1.608  -1.224
  341    HH   TYR  44           HH       TYR  44  73.194   3.554  -0.965
  342    H    ALA  45           HN       ALA  45  80.473   1.166   3.234
  343    HA   ALA  45           HA       ALA  45  82.351   3.048   4.468
  344   1HB   ALA  45           HB1      ALA  45  81.600   0.474   5.887
  345   2HB   ALA  45           HB3      ALA  45  82.931   1.527   6.345
  346   3HB   ALA  45           HB2      ALA  45  81.276   2.109   6.464
  347    H    CYS  46           HN       CYS  46  84.571   2.304   4.263
  348    HA   CYS  46           HA       CYS  46  84.837   0.009   2.362
  349   1HB   CYS  46          2HB       CYS  46  86.774   2.307   2.799
  350   2HB   CYS  46          3HB       CYS  46  86.976   0.995   1.637
  351    HG   CYS  46           HG       CYS  46  84.970   1.920   0.281
  352    H    SER  47           HN       SER  47  85.825  -1.771   3.176
  353    HA   SER  47           HA       SER  47  87.074  -1.521   5.838
  354   1HB   SER  47          2HB       SER  47  85.431  -3.352   5.368
  355   2HB   SER  47          3HB       SER  47  86.559  -4.003   4.198
  356    HG   SER  47           HG       SER  47  87.349  -4.996   5.870
  357    H    VAL  48           HN       VAL  48  89.263  -1.433   6.077
  358    HA   VAL  48           HA       VAL  48  90.933  -2.359   3.775
  359    HB   VAL  48           HB       VAL  48  91.430   0.003   5.612
  360   1HG1  VAL  48          HG11      VAL  48  93.067  -1.435   3.594
  361   2HG1  VAL  48          HG13      VAL  48  93.187   0.323   3.627
  362   3HG1  VAL  48          HG12      VAL  48  93.563  -0.616   5.071
  363   1HG2  VAL  48          HG22      VAL  48  89.744  -0.143   3.413
  364   2HG2  VAL  48          HG21      VAL  48  90.455   1.333   4.066
  365   3HG2  VAL  48          HG23      VAL  48  91.246   0.488   2.734
  366    H    VAL  49           HN       VAL  49  93.187  -2.923   4.465
  367    HA   VAL  49           HA       VAL  49  93.297  -3.863   7.301
  368    HB   VAL  49           HB       VAL  49  94.470  -5.277   4.899
  369   1HG1  VAL  49          HG13      VAL  49  95.173  -5.429   7.582
  370   2HG1  VAL  49          HG12      VAL  49  94.051  -6.772   7.383
  371   3HG1  VAL  49          HG11      VAL  49  95.489  -6.669   6.369
  372   1HG2  VAL  49          HG21      VAL  49  91.814  -5.141   5.551
  373   2HG2  VAL  49          HG23      VAL  49  92.562  -6.504   4.721
  374   3HG2  VAL  49          HG22      VAL  49  92.325  -6.561   6.466
  375    H    VAL  50           HN       VAL  50  95.140  -3.207   8.379
  376    HA   VAL  50           HA       VAL  50  97.323  -2.104   6.666
  377    HB   VAL  50           HB       VAL  50  95.995  -0.336   7.851
  378   1HG1  VAL  50          HG13      VAL  50  95.545  -1.837   9.830
  379   2HG1  VAL  50          HG12      VAL  50  97.199  -1.529  10.353
  380   3HG1  VAL  50          HG11      VAL  50  96.046  -0.198  10.235
  381   1HG2  VAL  50          HG23      VAL  50  98.636  -0.410   7.424
  382   2HG2  VAL  50          HG22      VAL  50  97.877   0.930   8.279
  383   3HG2  VAL  50          HG21      VAL  50  98.667  -0.359   9.186
  384    H    ASP  51           HN       ASP  51  99.445  -2.246   7.591
  385    HA   ASP  51           HA       ASP  51 100.189  -4.746   8.554
  386   1HB   ASP  51          2HB       ASP  51 101.561  -2.067   8.885
  387   2HB   ASP  51          3HB       ASP  51 102.317  -3.599   9.328
  388    H    GLY  52           HN       GLY  52  98.749  -2.198  10.211
  389   1HA   GLY  52          2HA       GLY  52  99.685  -3.031  12.862
  390   2HA   GLY  52          3HA       GLY  52  98.546  -1.726  12.531
  391    H    GLU  53           HN       GLU  53  96.429  -2.757  11.351
  392    HA   GLU  53           HA       GLU  53  95.656  -5.368  12.441
  393   1HB   GLU  53          2HB       GLU  53  94.547  -2.829  13.668
  394   2HB   GLU  53          3HB       GLU  53  93.752  -4.391  13.818
  395   1HG   GLU  53          2HG       GLU  53  96.466  -3.579  14.890
  396   2HG   GLU  53          3HG       GLU  53  95.052  -4.099  15.800
  397    H    VAL  54           HN       VAL  54  92.911  -5.095  12.457
  398    HA   VAL  54           HA       VAL  54  92.319  -4.585   9.591
  399    HB   VAL  54           HB       VAL  54  90.669  -5.869  11.798
  400   1HG1  VAL  54          HG12      VAL  54  90.111  -5.425   8.853
  401   2HG1  VAL  54          HG11      VAL  54  89.220  -6.582   9.843
  402   3HG1  VAL  54          HG13      VAL  54  89.155  -4.862  10.225
  403   1HG2  VAL  54          HG21      VAL  54  92.293  -6.952   9.487
  404   2HG2  VAL  54          HG23      VAL  54  92.430  -7.357  11.198
  405   3HG2  VAL  54          HG22      VAL  54  91.030  -7.903  10.272
  406    H    LYS  55           HN       LYS  55  91.379  -2.643   9.036
  407    HA   LYS  55           HA       LYS  55  89.870  -1.202  11.180
  408   1HB   LYS  55          2HB       LYS  55  91.706  -0.118   9.040
  409   2HB   LYS  55          3HB       LYS  55  90.594   0.901   9.950
  410   1HG   LYS  55          2HG       LYS  55  92.486   1.071  11.273
  411   2HG   LYS  55          3HG       LYS  55  91.699  -0.312  12.026
  412   1HD   LYS  55          2HD       LYS  55  93.064  -1.830  10.612
  413   2HD   LYS  55          3HD       LYS  55  93.886  -0.422   9.936
  414   1HE   LYS  55          2HE       LYS  55  93.766  -0.946  12.915
  415   2HE   LYS  55          3HE       LYS  55  95.070  -1.577  11.908
  416   1HZ   LYS  55           HZ1      LYS  55  95.031   0.965  11.131
  417   2HZ   LYS  55           HZ3      LYS  55  94.514   1.149  12.737
  418   3HZ   LYS  55           HZ2      LYS  55  96.000   0.394  12.406
  419    H    HIS  56           HN       HIS  56  88.000  -0.069  10.549
  420    HA   HIS  56           HA       HIS  56  86.948  -0.806   7.853
  421   1HB   HIS  56          2HB       HIS  56  85.557  -0.359  10.496
  422   2HB   HIS  56          3HB       HIS  56  84.685  -0.360   8.967
  423    HD1  HIS  56           HD1      HIS  56  85.194  -2.572  11.577
  424    HD2  HIS  56           HD2      HIS  56  85.786  -2.955   7.471
  425    HE1  HIS  56           HE1      HIS  56  85.075  -5.049  11.064
  426    H    CYS  57           HN       CYS  57  87.438   1.038   6.617
  427    HA   CYS  57           HA       CYS  57  87.206   3.723   7.720
  428   1HB   CYS  57          2HB       CYS  57  88.727   3.224   5.824
  429   2HB   CYS  57          3HB       CYS  57  87.331   2.812   4.827
  430    HG   CYS  57           HG       CYS  57  86.678   5.249   4.676
  431    H    VAL  58           HN       VAL  58  85.363   4.932   7.846
  432    HA   VAL  58           HA       VAL  58  82.854   3.694   6.935
  433    HB   VAL  58           HB       VAL  58  83.307   4.829   9.212
  434   1HG1  VAL  58          HG12      VAL  58  84.293   6.884   8.165
  435   2HG1  VAL  58          HG11      VAL  58  82.690   7.291   7.545
  436   3HG1  VAL  58          HG13      VAL  58  82.979   7.235   9.285
  437   1HG2  VAL  58          HG21      VAL  58  80.918   5.035   7.447
  438   2HG2  VAL  58          HG23      VAL  58  81.074   4.308   9.047
  439   3HG2  VAL  58          HG22      VAL  58  80.909   6.057   8.885
  440    H    ILE  59           HN       ILE  59  81.525   4.455   5.347
  441    HA   ILE  59           HA       ILE  59  82.329   6.956   3.923
  442    HB   ILE  59           HB       ILE  59  81.241   4.385   2.728
  443   1HG1  ILE  59          HG12      ILE  59  83.720   4.532   3.467
  444   2HG1  ILE  59          HG11      ILE  59  83.390   4.017   1.814
  445   1HG2  ILE  59          HG21      ILE  59  82.011   7.018   1.440
  446   2HG2  ILE  59          HG23      ILE  59  81.579   5.550   0.564
  447   3HG2  ILE  59          HG22      ILE  59  80.383   6.359   1.574
  448   1HD1  ILE  59          HD11      ILE  59  84.015   6.878   2.603
  449   2HD1  ILE  59          HD13      ILE  59  85.210   5.740   1.992
  450   3HD1  ILE  59          HD12      ILE  59  83.869   6.238   0.969
  451    H    ASN  60           HN       ASN  60  80.704   8.425   4.416
  452    HA   ASN  60           HA       ASN  60  77.912   7.307   4.486
  453   1HB   ASN  60          2HB       ASN  60  79.113   9.617   6.021
  454   2HB   ASN  60          3HB       ASN  60  77.401   9.192   6.045
  455   1HD2  ASN  60          HD22      ASN  60  79.053   7.444   8.913
  456   2HD2  ASN  60          HD21      ASN  60  78.844   9.070   8.462
  457    H    LYS  61           HN       LYS  61  76.194   9.045   4.044
  458    HA   LYS  61           HA       LYS  61  77.203  10.906   1.962
  459   1HB   LYS  61          2HB       LYS  61  75.359  10.365   0.526
  460   2HB   LYS  61          3HB       LYS  61  75.982   8.815   1.097
  461   1HG   LYS  61          2HG       LYS  61  74.249   9.048   3.007
  462   2HG   LYS  61          3HG       LYS  61  73.496  10.268   1.981
  463   1HD   LYS  61          2HD       LYS  61  74.156   7.494   0.978
  464   2HD   LYS  61          3HD       LYS  61  72.598   7.902   1.706
  465   1HE   LYS  61          2HE       LYS  61  73.826   9.166  -0.759
  466   2HE   LYS  61          3HE       LYS  61  72.401   8.130  -0.705
  467   1HZ   LYS  61           HZ2      LYS  61  72.032  10.213   1.118
  468   2HZ   LYS  61           HZ1      LYS  61  72.549  10.904  -0.342
  469   3HZ   LYS  61           HZ3      LYS  61  71.173   9.913  -0.319
  470    H    THR  62           HN       THR  62  76.556  11.335   4.825
  471    HA   THR  62           HA       THR  62  73.978  12.710   4.883
  472    HB   THR  62           HB       THR  62  74.651  13.392   7.165
  473    HG1  THR  62           HG1      THR  62  76.713  13.615   7.407
  474   1HG2  THR  62          HG22      THR  62  75.230  10.493   6.498
  475   2HG2  THR  62          HG21      THR  62  74.916  11.107   8.120
  476   3HG2  THR  62          HG23      THR  62  73.652  11.184   6.890
  477    H    ALA  63           HN       ALA  63  74.326  15.108   6.047
  478    HA   ALA  63           HA       ALA  63  75.154  16.812   3.927
  479   1HB   ALA  63           HB1      ALA  63  73.633  17.366   5.927
  480   2HB   ALA  63           HB3      ALA  63  75.123  17.653   6.828
  481   3HB   ALA  63           HB2      ALA  63  74.746  18.626   5.402
  482    H    THR  64           HN       THR  64  76.956  15.419   6.595
  483    HA   THR  64           HA       THR  64  79.253  17.171   6.265
  484    HB   THR  64           HB       THR  64  80.308  15.570   7.829
  485    HG1  THR  64           HG1      THR  64  78.498  13.957   6.824
  486   1HG2  THR  64          HG21      THR  64  78.532  17.393   8.474
  487   2HG2  THR  64          HG23      THR  64  77.532  15.992   8.863
  488   3HG2  THR  64          HG22      THR  64  79.074  16.233   9.686
  489    H    GLY  65           HN       GLY  65  77.972  14.656   4.457
  490   1HA   GLY  65          2HA       GLY  65  78.890  13.687   2.498
  491   2HA   GLY  65          3HA       GLY  65  80.443  14.424   2.907
  492    H    TYR  66           HN       TYR  66  80.555  11.824   2.067
  493    HA   TYR  66           HA       TYR  66  80.215   9.908   4.127
  494   1HB   TYR  66          2HB       TYR  66  82.363   9.003   2.541
  495   2HB   TYR  66          3HB       TYR  66  80.665   8.591   2.333
  496    HD1  TYR  66           HD2      TYR  66  83.230  11.165   1.440
  497    HD2  TYR  66           HD1      TYR  66  79.452   9.366   0.474
  498    HE1  TYR  66           HE2      TYR  66  83.167  12.435  -0.690
  499    HE2  TYR  66           HE1      TYR  66  79.389  10.634  -1.653
  500    HH   TYR  66           HH       TYR  66  81.137  13.255  -2.278
  501    H    GLY  67           HN       GLY  67  81.608  12.293   5.016
  502   1HA   GLY  67          2HA       GLY  67  83.183  12.531   6.798
  503   2HA   GLY  67          3HA       GLY  67  83.832  10.935   6.393
  504    H    PHE  68           HN       PHE  68  84.294  11.286   3.644
  505    HA   PHE  68           HA       PHE  68  86.675  13.031   3.763
  506   1HB   PHE  68          2HB       PHE  68  85.692  11.031   1.716
  507   2HB   PHE  68          3HB       PHE  68  87.149  12.002   1.497
  508    HD1  PHE  68           HD2      PHE  68  89.103  11.703   2.996
  509    HD2  PHE  68           HD1      PHE  68  85.617   9.213   3.304
  510    HE1  PHE  68           HE2      PHE  68  90.388  10.075   4.359
  511    HE2  PHE  68           HE1      PHE  68  86.900   7.586   4.668
  512    HZ   PHE  68           HZ       PHE  68  89.289   8.014   5.192
  513    H    ALA  69           HN       ALA  69  83.471  13.380   2.840
  514    HA   ALA  69           HA       ALA  69  84.057  15.322   0.638
  515   1HB   ALA  69           HB2      ALA  69  81.783  13.627   1.414
  516   2HB   ALA  69           HB1      ALA  69  81.314  15.278   1.021
  517   3HB   ALA  69           HB3      ALA  69  82.186  14.304  -0.157
  518    H    GLU  70           HN       GLU  70  83.994  15.397   3.921
  519    HA   GLU  70           HA       GLU  70  82.205  17.518   4.520
  520   1HB   GLU  70          2HB       GLU  70  83.393  16.126   6.242
  521   2HB   GLU  70          3HB       GLU  70  84.874  17.013   5.876
  522   1HG   GLU  70          2HG       GLU  70  83.834  19.116   6.513
  523   2HG   GLU  70          3HG       GLU  70  82.284  18.310   6.760
  524    HA   PRO  71           HA       PRO  71  85.939  20.363   3.299
  525   1HB   PRO  71          2HB       PRO  71  87.323  18.819   1.225
  526   2HB   PRO  71          3HB       PRO  71  87.997  19.600   2.669
  527   1HG   PRO  71          2HG       PRO  71  87.862  16.928   2.410
  528   2HG   PRO  71          3HG       PRO  71  87.700  17.746   3.974
  529   1HD   PRO  71          2HD       PRO  71  85.531  16.639   2.202
  530   2HD   PRO  71          3HD       PRO  71  85.706  16.525   3.969
  531    H    TYR  72           HN       TYR  72  86.382  21.509   1.084
  532    HA   TYR  72           HA       TYR  72  83.927  21.708  -0.369
  533   1HB   TYR  72          2HB       TYR  72  86.739  22.594  -1.070
  534   2HB   TYR  72          3HB       TYR  72  85.317  23.011  -2.027
  535    HD1  TYR  72           HD2      TYR  72  83.578  24.502  -1.129
  536    HD2  TYR  72           HD1      TYR  72  87.112  23.555   1.120
  537    HE1  TYR  72           HE2      TYR  72  83.101  26.383   0.411
  538    HE2  TYR  72           HE1      TYR  72  86.638  25.438   2.660
  539    HH   TYR  72           HH       TYR  72  85.400  27.550   2.647
  540    H    ASN  73           HN       ASN  73  86.423  19.376  -0.545
  541    HA   ASN  73           HA       ASN  73  85.733  18.722  -3.364
  542   1HB   ASN  73          2HB       ASN  73  88.145  18.876  -2.710
  543   2HB   ASN  73          3HB       ASN  73  87.895  17.502  -1.631
  544   1HD2  ASN  73          HD22      ASN  73  89.004  15.769  -4.606
  545   2HD2  ASN  73          HD21      ASN  73  89.603  16.530  -3.211
  546    H    LEU  74           HN       LEU  74  83.877  17.578  -3.336
  547    HA   LEU  74           HA       LEU  74  83.606  15.279  -1.485
  548   1HB   LEU  74          2HB       LEU  74  81.558  16.795  -3.136
  549   2HB   LEU  74          3HB       LEU  74  81.186  15.386  -2.147
  550    HG   LEU  74           HG       LEU  74  82.400  16.795  -0.256
  551   1HD1  LEU  74          HD11      LEU  74  82.754  18.594  -2.208
  552   2HD1  LEU  74          HD13      LEU  74  81.148  19.097  -1.687
  553   3HD1  LEU  74          HD12      LEU  74  82.483  19.083  -0.536
  554   1HD2  LEU  74          HD23      LEU  74  79.915  16.069  -0.515
  555   2HD2  LEU  74          HD22      LEU  74  80.271  17.427   0.548
  556   3HD2  LEU  74          HD21      LEU  74  79.646  17.718  -1.075
  557    H    TYR  75           HN       TYR  75  84.861  15.812  -4.402
  558    HA   TYR  75           HA       TYR  75  85.245  14.488  -6.295
  559   1HB   TYR  75          2HB       TYR  75  84.018  12.279  -4.609
  560   2HB   TYR  75          3HB       TYR  75  85.017  12.067  -6.048
  561    HD1  TYR  75           HD2      TYR  75  84.998  13.094  -2.507
  562    HD2  TYR  75           HD1      TYR  75  87.419  12.456  -5.997
  563    HE1  TYR  75           HE2      TYR  75  87.043  13.244  -1.115
  564    HE2  TYR  75           HE1      TYR  75  89.461  12.612  -4.605
  565    HH   TYR  75           HH       TYR  75  89.271  13.394  -1.143
  566    H    SER  76           HN       SER  76  83.943  12.938  -7.884
  567    HA   SER  76           HA       SER  76  81.203  14.102  -8.047
  568   1HB   SER  76          2HB       SER  76  82.665  14.510  -9.991
  569   2HB   SER  76          3HB       SER  76  82.887  12.774 -10.192
  570    HG   SER  76           HG       SER  76  80.602  12.630 -10.473
  571    H    SER  77           HN       SER  77  82.912  10.994  -8.545
  572    HA   SER  77           HA       SER  77  80.331   9.636  -7.880
  573   1HB   SER  77          2HB       SER  77  82.421   8.788  -9.900
  574   2HB   SER  77          3HB       SER  77  81.019   7.827  -9.446
  575    HG   SER  77           HG       SER  77  79.868   9.932 -10.019
  576    H    LEU  78           HN       LEU  78  80.547   7.598  -6.777
  577    HA   LEU  78           HA       LEU  78  82.499   7.524  -4.708
  578   1HB   LEU  78          2HB       LEU  78  80.679   5.392  -5.857
  579   2HB   LEU  78          3HB       LEU  78  81.675   5.131  -4.425
  580    HG   LEU  78           HG       LEU  78  79.681   7.394  -4.697
  581   1HD1  LEU  78          HD12      LEU  78  79.121   4.668  -4.410
  582   2HD1  LEU  78          HD11      LEU  78  79.045   5.306  -2.766
  583   3HD1  LEU  78          HD13      LEU  78  78.032   6.004  -4.030
  584   1HD2  LEU  78          HD21      LEU  78  81.523   6.378  -2.553
  585   2HD2  LEU  78          HD23      LEU  78  81.177   8.041  -3.027
  586   3HD2  LEU  78          HD22      LEU  78  79.998   7.132  -2.083
  587    H    LYS  79           HN       LYS  79  82.429   6.012  -7.902
  588    HA   LYS  79           HA       LYS  79  84.532   4.146  -7.589
  589   1HB   LYS  79          2HB       LYS  79  83.647   5.800  -9.964
  590   2HB   LYS  79          3HB       LYS  79  84.884   4.547 -10.079
  591   1HG   LYS  79          2HG       LYS  79  83.347   2.846  -9.362
  592   2HG   LYS  79          3HG       LYS  79  82.124   4.049  -8.941
  593   1HD   LYS  79          2HD       LYS  79  81.911   4.693 -11.293
  594   2HD   LYS  79          3HD       LYS  79  83.180   3.553 -11.737
  595   1HE   LYS  79          2HE       LYS  79  80.607   2.746 -10.362
  596   2HE   LYS  79          3HE       LYS  79  80.849   2.674 -12.105
  597   1HZ   LYS  79           HZ2      LYS  79  82.997   1.462 -10.669
  598   2HZ   LYS  79           HZ1      LYS  79  81.506   0.732 -10.303
  599   3HZ   LYS  79           HZ3      LYS  79  82.034   0.822 -11.913
  600    H    GLU  80           HN       GLU  80  84.655   7.605  -8.444
  601    HA   GLU  80           HA       GLU  80  87.516   7.693  -8.730
  602   1HB   GLU  80          2HB       GLU  80  85.547   9.886  -8.013
  603   2HB   GLU  80          3HB       GLU  80  87.225  10.148  -8.496
  604   1HG   GLU  80          2HG       GLU  80  86.807   9.168 -10.672
  605   2HG   GLU  80          3HG       GLU  80  85.175   8.700 -10.192
  606    H    LEU  81           HN       LEU  81  85.323   7.918  -5.986
  607    HA   LEU  81           HA       LEU  81  87.136   9.026  -4.083
  608   1HB   LEU  81          2HB       LEU  81  84.693   8.730  -3.675
  609   2HB   LEU  81          3HB       LEU  81  84.937   6.989  -3.582
  610    HG   LEU  81           HG       LEU  81  86.560   8.834  -1.837
  611   1HD1  LEU  81          HD13      LEU  81  83.789   7.774  -1.199
  612   2HD1  LEU  81          HD12      LEU  81  84.854   8.611  -0.068
  613   3HD1  LEU  81          HD11      LEU  81  84.205   9.469  -1.463
  614   1HD2  LEU  81          HD21      LEU  81  85.853   5.933  -1.953
  615   2HD2  LEU  81          HD23      LEU  81  87.377   6.704  -1.511
  616   3HD2  LEU  81          HD22      LEU  81  86.051   6.650  -0.354
  617    H    VAL  82           HN       VAL  82  86.568   5.678  -5.129
  618    HA   VAL  82           HA       VAL  82  88.374   4.452  -3.255
  619    HB   VAL  82           HB       VAL  82  87.432   3.547  -5.993
  620   1HG1  VAL  82          HG11      VAL  82  89.024   2.159  -3.828
  621   2HG1  VAL  82          HG13      VAL  82  88.100   1.260  -5.034
  622   3HG1  VAL  82          HG12      VAL  82  89.419   2.316  -5.541
  623   1HG2  VAL  82          HG22      VAL  82  86.370   3.375  -3.213
  624   2HG2  VAL  82          HG21      VAL  82  85.502   3.478  -4.742
  625   3HG2  VAL  82          HG23      VAL  82  86.191   1.942  -4.222
  626    H    LEU  83           HN       LEU  83  88.775   5.567  -6.613
  627    HA   LEU  83           HA       LEU  83  91.511   4.736  -6.876
  628   1HB   LEU  83          2HB       LEU  83  89.875   6.840  -8.309
  629   2HB   LEU  83          3HB       LEU  83  91.519   6.402  -8.783
  630    HG   LEU  83           HG       LEU  83  89.211   4.447  -8.574
  631   1HD1  LEU  83          HD12      LEU  83  90.280   6.133 -10.795
  632   2HD1  LEU  83          HD11      LEU  83  89.795   4.481 -11.184
  633   3HD1  LEU  83          HD13      LEU  83  88.627   5.603 -10.484
  634   1HD2  LEU  83          HD23      LEU  83  92.125   4.254  -9.272
  635   2HD2  LEU  83          HD22      LEU  83  91.134   3.155  -8.314
  636   3HD2  LEU  83          HD21      LEU  83  90.982   3.176 -10.072
  637    H    HIS  84           HN       HIS  84  90.044   7.847  -5.954
  638    HA   HIS  84           HA       HIS  84  92.458   9.331  -5.800
  639   1HB   HIS  84          2HB       HIS  84  90.165  10.305  -5.687
  640   2HB   HIS  84          3HB       HIS  84  89.998   9.640  -4.062
  641    HD1  HIS  84           HD1      HIS  84  92.424  11.898  -5.961
  642    HD2  HIS  84           HD2      HIS  84  90.924  11.347  -2.113
  643    HE1  HIS  84           HE1      HIS  84  93.389  13.763  -4.543
  644    H    TYR  85           HN       TYR  85  90.844   7.299  -3.354
  645    HA   TYR  85           HA       TYR  85  92.694   7.961  -1.246
  646   1HB   TYR  85          2HB       TYR  85  90.953   5.510  -1.639
  647   2HB   TYR  85          3HB       TYR  85  91.833   5.889  -0.161
  648    HD1  TYR  85           HD2      TYR  85  90.832   8.970  -1.603
  649    HD2  TYR  85           HD1      TYR  85  89.281   5.615   0.602
  650    HE1  TYR  85           HE2      TYR  85  88.950  10.356  -0.813
  651    HE2  TYR  85           HE1      TYR  85  87.396   7.019   1.388
  652    HH   TYR  85           HH       TYR  85  86.974  10.345   0.234
  653    H    GLN  86           HN       GLN  86  92.837   5.818  -3.976
  654    HA   GLN  86           HA       GLN  86  94.870   4.016  -3.077
  655   1HB   GLN  86          2HB       GLN  86  93.613   3.677  -5.183
  656   2HB   GLN  86          3HB       GLN  86  94.392   5.100  -5.873
  657   1HG   GLN  86          2HG       GLN  86  96.543   4.078  -5.819
  658   2HG   GLN  86          3HG       GLN  86  95.974   2.764  -4.794
  659   1HE2  GLN  86          HE22      GLN  86  95.798   2.287  -8.748
  660   2HE2  GLN  86          HE21      GLN  86  96.747   3.461  -7.972
  661    H    HIS  87           HN       HIS  87  95.024   7.270  -4.468
  662    HA   HIS  87           HA       HIS  87  97.979   7.215  -4.419
  663   1HB   HIS  87          2HB       HIS  87  96.049   9.416  -5.215
  664   2HB   HIS  87          3HB       HIS  87  97.797   9.453  -5.439
  665    HD1  HIS  87           HD1      HIS  87  98.767   7.391  -6.963
  666    HD2  HIS  87           HD2      HIS  87  94.700   8.225  -7.324
  667    HE1  HIS  87           HE1      HIS  87  97.996   6.283  -9.107
  668    H    THR  88           HN       THR  88  95.362   8.154  -2.409
  669    HA   THR  88           HA       THR  88  97.101  10.004  -0.844
  670    HB   THR  88           HB       THR  88  94.147   9.393  -0.498
  671    HG1  THR  88           HG1      THR  88  95.569  11.267  -2.025
  672   1HG2  THR  88          HG23      THR  88  95.899  10.555   1.272
  673   2HG2  THR  88          HG22      THR  88  95.261  11.957   0.411
  674   3HG2  THR  88          HG21      THR  88  94.161  10.851   1.233
  675    H    SER  89           HN       SER  89  97.990   9.322   1.040
  676    HA   SER  89           HA       SER  89  97.543   6.559   1.894
  677   1HB   SER  89          2HB       SER  89  99.800   7.592   1.925
  678   2HB   SER  89          3HB       SER  89  99.238   8.738   3.138
  679    HG   SER  89           HG       SER  89  99.724   7.239   4.524
  680    H    LEU  90           HN       LEU  90  96.269   5.912   3.554
  681    HA   LEU  90           HA       LEU  90  94.445   7.767   4.803
  682   1HB   LEU  90          2HB       LEU  90  95.107   4.856   5.306
  683   2HB   LEU  90          3HB       LEU  90  93.871   5.723   6.222
  684    HG   LEU  90           HG       LEU  90  93.895   5.613   3.198
  685   1HD1  LEU  90          HD13      LEU  90  92.828   3.687   5.221
  686   2HD1  LEU  90          HD12      LEU  90  91.835   4.026   3.800
  687   3HD1  LEU  90          HD11      LEU  90  93.463   3.379   3.602
  688   1HD2  LEU  90          HD22      LEU  90  92.399   7.064   5.163
  689   2HD2  LEU  90          HD21      LEU  90  92.216   7.089   3.405
  690   3HD2  LEU  90          HD23      LEU  90  91.312   5.919   4.370
  691    H    VAL  91           HN       VAL  91  97.657   6.910   5.475
  692    HA   VAL  91           HA       VAL  91  98.115   6.799   8.177
  693    HB   VAL  91           HB       VAL  91  99.854   7.127   6.379
  694   1HG1  VAL  91          HG11      VAL  91  98.461   9.364   5.744
  695   2HG1  VAL  91          HG13      VAL  91  99.700  10.070   6.782
  696   3HG1  VAL  91          HG12      VAL  91 100.166   9.153   5.349
  697   1HG2  VAL  91          HG23      VAL  91  99.841   8.605   8.997
  698   2HG2  VAL  91          HG22      VAL  91 100.770   7.179   8.527
  699   3HG2  VAL  91          HG21      VAL  91 101.230   8.770   7.921
  700    H    GLN  92           HN       GLN  92  96.883   9.598   6.430
  701    HA   GLN  92           HA       GLN  92  97.130  11.498   8.551
  702   1HB   GLN  92          2HB       GLN  92  96.718  12.081   6.172
  703   2HB   GLN  92          3HB       GLN  92  95.089  11.414   6.315
  704   1HG   GLN  92          2HG       GLN  92  94.535  13.038   8.047
  705   2HG   GLN  92          3HG       GLN  92  96.185  13.667   8.020
  706   1HE2  GLN  92          HE22      GLN  92  95.736  15.197   4.746
  707   2HE2  GLN  92          HE21      GLN  92  96.890  14.309   5.617
  708    H    HIS  93           HN       HIS  93  94.279   9.543   7.528
  709    HA   HIS  93           HA       HIS  93  92.498  10.490   9.495
  710   1HB   HIS  93          2HB       HIS  93  91.904   8.856   7.688
  711   2HB   HIS  93          3HB       HIS  93  92.780   7.608   8.570
  712    HD1  HIS  93           HD1      HIS  93  89.914  10.053   9.136
  713    HD2  HIS  93           HD2      HIS  93  91.225   6.331  10.480
  714    HE1  HIS  93           HE1      HIS  93  88.124   9.188  10.708
  715    H    ASN  94           HN       ASN  94  94.882   7.893   9.642
  716    HA   ASN  94           HA       ASN  94  94.982   8.229  12.608
  717   1HB   ASN  94          2HB       ASN  94  93.916   6.032  11.804
  718   2HB   ASN  94          3HB       ASN  94  95.502   5.633  11.145
  719   1HD2  ASN  94          HD22      ASN  94  94.992   5.721  15.212
  720   2HD2  ASN  94          HD21      ASN  94  93.888   6.533  14.213
  721    H    ASP  95           HN       ASP  95  96.944   9.256  12.900
  722    HA   ASP  95           HA       ASP  95  98.999   9.653  11.167
  723   1HB   ASP  95          2HB       ASP  95  99.215   8.966  14.107
  724   2HB   ASP  95          3HB       ASP  95 100.597   9.503  13.153
  725    H    SER  96           HN       SER  96  98.162   6.570  12.539
  726    HA   SER  96           HA       SER  96 100.608   5.444  11.278
  727   1HB   SER  96          2HB       SER  96  98.791   4.250  13.387
  728   2HB   SER  96          3HB       SER  96 100.174   3.428  12.676
  729    HG   SER  96           HG       SER  96 100.309   4.842  14.756
  730    H    LEU  97           HN       LEU  97  98.047   6.191   9.831
  731    HA   LEU  97           HA       LEU  97  97.168   3.441   9.036
  732   1HB   LEU  97          2HB       LEU  97  95.898   6.075   9.029
  733   2HB   LEU  97          3HB       LEU  97  95.768   5.280   7.464
  734    HG   LEU  97           HG       LEU  97  95.096   3.840  10.033
  735   1HD1  LEU  97          HD12      LEU  97  93.726   5.968   9.655
  736   2HD1  LEU  97          HD11      LEU  97  93.118   5.205   8.190
  737   3HD1  LEU  97          HD13      LEU  97  92.800   4.472   9.760
  738   1HD2  LEU  97          HD23      LEU  97  94.396   3.434   7.108
  739   2HD2  LEU  97          HD22      LEU  97  95.479   2.430   8.077
  740   3HD2  LEU  97          HD21      LEU  97  93.753   2.463   8.435
  741    H    ASN  98           HN       ASN  98  99.561   3.409   8.188
  742    HA   ASN  98           HA       ASN  98 100.019   4.933   5.739
  743   1HB   ASN  98          2HB       ASN  98 101.824   4.251   7.323
  744   2HB   ASN  98          3HB       ASN  98 101.550   2.570   6.854
  745   1HD2  ASN  98          HD21      ASN  98 100.953   4.621   4.218
  746   2HD2  ASN  98          HD22      ASN  98 102.449   4.464   3.440
  747    H    VAL  99           HN       VAL  99  97.973   4.122   4.719
  748    HA   VAL  99           HA       VAL  99  98.581   1.767   3.051
  749    HB   VAL  99           HB       VAL  99  96.116   1.934   4.805
  750   1HG1  VAL  99          HG13      VAL  99  96.897   0.189   2.493
  751   2HG1  VAL  99          HG12      VAL  99  95.883  -0.466   3.776
  752   3HG1  VAL  99          HG11      VAL  99  95.340   0.930   2.851
  753   1HG2  VAL  99          HG23      VAL  99  98.471   0.024   4.780
  754   2HG2  VAL  99          HG22      VAL  99  98.084   1.193   6.043
  755   3HG2  VAL  99          HG21      VAL  99  97.017  -0.177   5.758
  756    H    THR 100           HN       THR 100  97.248   1.694   1.163
  757    HA   THR 100           HA       THR 100  95.463   4.047   0.734
  758    HB   THR 100           HB       THR 100  96.420   4.386  -1.491
  759    HG1  THR 100           HG1      THR 100  98.201   2.305  -0.758
  760   1HG2  THR 100          HG22      THR 100  98.173   4.454   0.916
  761   2HG2  THR 100          HG21      THR 100  98.941   4.720  -0.644
  762   3HG2  THR 100          HG23      THR 100  97.629   5.772  -0.119
  763    H    LEU 101           HN       LEU 101  93.835   3.610  -0.987
  764    HA   LEU 101           HA       LEU 101  93.022   0.798  -0.958
  765   1HB   LEU 101          2HB       LEU 101  91.897   3.075  -2.624
  766   2HB   LEU 101          3HB       LEU 101  91.125   1.522  -2.304
  767    HG   LEU 101           HG       LEU 101  91.632   3.788  -0.396
  768   1HD1  LEU 101          HD12      LEU 101  89.306   2.435  -1.604
  769   2HD1  LEU 101          HD11      LEU 101  89.156   2.751   0.121
  770   3HD1  LEU 101          HD13      LEU 101  89.458   4.079  -0.996
  771   1HD2  LEU 101          HD23      LEU 101  91.188   0.878   0.241
  772   2HD2  LEU 101          HD22      LEU 101  92.470   1.932   0.832
  773   3HD2  LEU 101          HD21      LEU 101  90.813   2.161   1.387
  774    H    ALA 102           HN       ALA 102  95.198   0.182  -1.977
  775    HA   ALA 102           HA       ALA 102  95.240   0.731  -4.894
  776   1HB   ALA 102           HB3      ALA 102  97.298   1.149  -3.583
  777   2HB   ALA 102           HB2      ALA 102  97.344  -0.558  -3.143
  778   3HB   ALA 102           HB1      ALA 102  97.541  -0.079  -4.827
  779    H    TYR 103           HN       TYR 103  95.004  -2.037  -2.643
  780    HA   TYR 103           HA       TYR 103  94.807  -3.752  -5.082
  781   1HB   TYR 103          2HB       TYR 103  95.561  -4.482  -2.252
  782   2HB   TYR 103          3HB       TYR 103  95.381  -5.638  -3.573
  783    HD1  TYR 103           HD1      TYR 103  96.911  -5.582  -5.520
  784    HD2  TYR 103           HD2      TYR 103  97.444  -2.981  -2.143
  785    HE1  TYR 103           HE1      TYR 103  99.217  -5.073  -6.278
  786    HE2  TYR 103           HE2      TYR 103  99.749  -2.472  -2.900
  787    HH   TYR 103           HH       TYR 103 101.373  -4.288  -5.195
  788    HA   PRO 104           HA       PRO 104  90.434  -3.999  -3.821
  789   1HB   PRO 104          2HB       PRO 104  90.295  -5.782  -6.165
  790   2HB   PRO 104          3HB       PRO 104  89.397  -4.297  -5.825
  791   1HG   PRO 104          2HG       PRO 104  91.354  -4.482  -7.689
  792   2HG   PRO 104          3HG       PRO 104  90.917  -2.981  -6.861
  793   1HD   PRO 104          2HD       PRO 104  93.304  -4.704  -6.489
  794   2HD   PRO 104          3HD       PRO 104  93.094  -2.969  -6.172
  795    H    VAL 105           HN       VAL 105  89.298  -5.756  -2.814
  796    HA   VAL 105           HA       VAL 105  90.929  -7.941  -1.875
  797    HB   VAL 105           HB       VAL 105  88.904  -6.925  -0.713
  798   1HG1  VAL 105          HG11      VAL 105  87.448  -7.063  -2.766
  799   2HG1  VAL 105          HG13      VAL 105  87.417  -8.812  -2.552
  800   3HG1  VAL 105          HG12      VAL 105  86.714  -7.765  -1.322
  801   1HG2  VAL 105          HG21      VAL 105  90.011  -9.441  -0.554
  802   2HG2  VAL 105          HG23      VAL 105  88.824  -8.785   0.573
  803   3HG2  VAL 105          HG22      VAL 105  88.298  -9.801  -0.769
  804    H    TYR 106           HN       TYR 106  88.575  -7.577  -4.481
  805    HA   TYR 106           HA       TYR 106  89.060 -10.414  -5.262
  806   1HB   TYR 106          2HB       TYR 106  86.779  -8.523  -5.777
  807   2HB   TYR 106          3HB       TYR 106  87.022  -9.933  -6.800
  808    HD1  TYR 106           HD1      TYR 106  87.481 -12.196  -5.451
  809    HD2  TYR 106           HD2      TYR 106  85.437  -8.761  -3.873
  810    HE1  TYR 106           HE1      TYR 106  86.397 -13.627  -3.741
  811    HE2  TYR 106           HE2      TYR 106  84.352 -10.197  -2.164
  812    HH   TYR 106           HH       TYR 106  84.112 -13.406  -2.336
  813    H    ALA 107           HN       ALA 107  91.065  -8.432  -5.830
  814    HA   ALA 107           HA       ALA 107  90.723  -7.662  -8.652
  815   1HB   ALA 107           HB2      ALA 107  92.238  -6.624  -6.601
  816   2HB   ALA 107           HB1      ALA 107  93.439  -7.527  -7.518
  817   3HB   ALA 107           HB3      ALA 107  92.489  -6.271  -8.310
  818    H    GLN 108           HN       GLN 108  91.049  -9.132 -10.233
  819    HA   GLN 108           HA       GLN 108  91.820 -11.058 -11.339
  820   1HB   GLN 108          2HB       GLN 108  94.356 -10.184  -9.916
  821   2HB   GLN 108          3HB       GLN 108  94.293 -11.360 -11.233
  822   1HG   GLN 108          2HG       GLN 108  93.090  -8.620 -11.576
  823   2HG   GLN 108          3HG       GLN 108  94.820  -8.875 -11.809
  824   1HE2  GLN 108          HE22      GLN 108  94.209  -9.883 -15.117
  825   2HE2  GLN 108          HE21      GLN 108  95.124  -8.942 -14.040
  826    H    GLN 109           HN       GLN 109  90.459 -11.745  -8.992
  827    HA   GLN 109           HA       GLN 109  92.221 -13.795  -7.734
  828   1HB   GLN 109          2HB       GLN 109  89.561 -12.647  -6.858
  829   2HB   GLN 109          3HB       GLN 109  90.386 -13.969  -6.032
  830   1HG   GLN 109          2HG       GLN 109  92.432 -12.334  -6.025
  831   2HG   GLN 109          3HG       GLN 109  91.203 -11.090  -6.268
  832   1HE2  GLN 109          HE22      GLN 109  91.769 -12.365  -2.574
  833   2HE2  GLN 109          HE21      GLN 109  92.911 -12.444  -3.828
  834    H    ARG 110           HN       ARG 110  91.840 -15.929  -8.031
  835    HA   ARG 110           HA       ARG 110  90.204 -16.849 -10.171
  836   1HB   ARG 110          2HB       ARG 110  91.464 -18.299  -7.828
  837   2HB   ARG 110          3HB       ARG 110  90.643 -19.129  -9.154
  838   1HG   ARG 110          2HG       ARG 110  92.186 -18.151 -10.775
  839   2HG   ARG 110          3HG       ARG 110  92.966 -17.209  -9.504
  840   1HD   ARG 110          2HD       ARG 110  93.644 -19.299  -8.376
  841   2HD   ARG 110          3HD       ARG 110  92.887 -20.236  -9.665
  842    HE   ARG 110           HE       ARG 110  94.649 -18.584 -11.014
  843   1HH1  ARG 110          HH21      ARG 110  94.795 -20.782  -8.370
  844   2HH1  ARG 110          HH22      ARG 110  96.442 -21.233  -8.656
  845   1HH2  ARG 110          HH11      ARG 110  96.811 -19.150 -11.405
  846   2HH2  ARG 110          HH12      ARG 110  97.586 -20.306 -10.370
  847    H    ARG 111           HN       ARG 111  89.563 -16.626  -6.681
  848    HA   ARG 111           HA       ARG 111  86.880 -17.831  -7.131
  849   1HB   ARG 111          2HB       ARG 111  88.198 -18.633  -5.182
  850   2HB   ARG 111          3HB       ARG 111  88.213 -16.990  -4.537
  851   1HG   ARG 111          2HG       ARG 111  86.365 -17.834  -3.417
  852   2HG   ARG 111          3HG       ARG 111  85.582 -17.203  -4.866
  853   1HD   ARG 111          2HD       ARG 111  86.541 -20.063  -4.606
  854   2HD   ARG 111          3HD       ARG 111  84.893 -19.553  -4.251
  855    HE   ARG 111           HE       ARG 111  85.401 -18.578  -6.813
  856   1HH1  ARG 111          HH21      ARG 111  85.495 -21.601  -5.168
  857   2HH1  ARG 111          HH22      ARG 111  85.127 -22.535  -6.582
  858   1HH2  ARG 111          HH11      ARG 111  84.911 -19.771  -8.668
  859   2HH2  ARG 111          HH12      ARG 111  84.797 -21.497  -8.565
   
  No H/Q in entry =         859
  Start of MODEL    3
    1   1H    GLU   1           HT2      GLU   1  98.069  -0.490 -15.497
    2   2H    GLU   1           HT1      GLU   1  99.203  -1.405 -16.370
    3   3H    GLU   1           HT3      GLU   1  98.844   0.182 -16.853
    4    HA   GLU   1           HA       GLU   1  97.442  -0.752 -18.297
    5   1HB   GLU   1          2HB       GLU   1  96.705  -3.096 -18.104
    6   2HB   GLU   1          3HB       GLU   1  98.448  -2.976 -17.849
    7   1HG   GLU   1          2HG       GLU   1  97.982  -2.862 -15.368
    8   2HG   GLU   1          3HG       GLU   1  96.303  -3.256 -15.735
    9    H    ASP   2           HN       ASP   2  95.043  -2.138 -17.854
   10    HA   ASP   2           HA       ASP   2  93.392  -0.093 -16.722
   11   1HB   ASP   2          2HB       ASP   2  92.842  -3.006 -17.353
   12   2HB   ASP   2          3HB       ASP   2  91.590  -1.866 -16.846
   13    H    LEU   3           HN       LEU   3  92.698   0.233 -14.642
   14    HA   LEU   3           HA       LEU   3  93.731  -1.573 -12.534
   15   1HB   LEU   3          2HB       LEU   3  92.228   1.067 -12.385
   16   2HB   LEU   3          3HB       LEU   3  92.873   0.196 -10.997
   17    HG   LEU   3           HG       LEU   3  94.554   1.151 -13.330
   18   1HD1  LEU   3          HD12      LEU   3  93.468   2.947 -11.857
   19   2HD1  LEU   3          HD11      LEU   3  94.448   2.307 -10.538
   20   3HD1  LEU   3          HD13      LEU   3  95.229   2.988 -11.966
   21   1HD2  LEU   3          HD22      LEU   3  95.012  -0.454 -10.881
   22   2HD2  LEU   3          HD21      LEU   3  95.903  -0.448 -12.402
   23   3HD2  LEU   3          HD23      LEU   3  96.209   0.804 -11.196
   24    HA   PRO   4           HA       PRO   4  89.883  -3.739 -12.114
   25   1HB   PRO   4          2HB       PRO   4  89.975  -4.294  -9.417
   26   2HB   PRO   4          3HB       PRO   4  90.874  -5.193 -10.654
   27   1HG   PRO   4          2HG       PRO   4  91.814  -3.045  -8.826
   28   2HG   PRO   4          3HG       PRO   4  92.644  -4.513  -9.359
   29   1HD   PRO   4          2HD       PRO   4  93.210  -2.074 -10.416
   30   2HD   PRO   4          3HD       PRO   4  93.312  -3.569 -11.375
   31    H    HIS   5           HN       HIS   5  90.465  -0.741 -10.655
   32    HA   HIS   5           HA       HIS   5  88.092  -0.535  -9.035
   33   1HB   HIS   5          2HB       HIS   5  90.068   1.408 -10.167
   34   2HB   HIS   5          3HB       HIS   5  88.532   2.032  -9.561
   35    HD1  HIS   5           HD1      HIS   5  91.802   1.518  -8.374
   36    HD2  HIS   5           HD2      HIS   5  88.054   0.584  -6.804
   37    HE1  HIS   5           HE1      HIS   5  92.125   1.196  -5.880
   38    H    HIS   6           HN       HIS   6  88.645  -0.433 -12.458
   39    HA   HIS   6           HA       HIS   6  86.389   1.135 -13.241
   40   1HB   HIS   6          2HB       HIS   6  87.757  -1.210 -14.595
   41   2HB   HIS   6          3HB       HIS   6  86.462  -0.275 -15.350
   42    HD1  HIS   6           HD1      HIS   6  86.959   2.447 -15.345
   43    HD2  HIS   6           HD2      HIS   6  90.265  -0.075 -15.026
   44    HE1  HIS   6           HE1      HIS   6  88.987   3.846 -15.929
   45    H    ASP   7           HN       ASP   7  86.714  -2.221 -12.187
   46    HA   ASP   7           HA       ASP   7  83.813  -2.652 -12.597
   47   1HB   ASP   7          2HB       ASP   7  85.496  -4.398 -13.295
   48   2HB   ASP   7          3HB       ASP   7  85.883  -4.618 -11.590
   49    H    GLU   8           HN       GLU   8  82.443  -2.430 -10.928
   50    HA   GLU   8           HA       GLU   8  83.302  -1.557  -8.330
   51   1HB   GLU   8          2HB       GLU   8  81.127  -0.996  -9.468
   52   2HB   GLU   8          3HB       GLU   8  80.600  -2.651  -9.172
   53   1HG   GLU   8          2HG       GLU   8  80.580  -2.344  -6.834
   54   2HG   GLU   8          3HG       GLU   8  81.557  -0.882  -6.923
   55    H    LYS   9           HN       LYS   9  82.532  -4.687  -9.688
   56    HA   LYS   9           HA       LYS   9  82.028  -6.126  -7.286
   57   1HB   LYS   9          2HB       LYS   9  81.498  -7.085  -9.433
   58   2HB   LYS   9          3HB       LYS   9  83.183  -7.010  -9.940
   59   1HG   LYS   9          2HG       LYS   9  83.020  -8.456  -7.454
   60   2HG   LYS   9          3HG       LYS   9  81.869  -9.137  -8.598
   61   1HD   LYS   9          2HD       LYS   9  83.977 -10.263  -8.928
   62   2HD   LYS   9          3HD       LYS   9  83.721  -9.189 -10.302
   63   1HE   LYS   9          2HE       LYS   9  85.199  -7.516  -9.345
   64   2HE   LYS   9          3HE       LYS   9  85.346  -8.459  -7.860
   65   1HZ   LYS   9           HZ2      LYS   9  85.995 -10.221  -9.832
   66   2HZ   LYS   9           HZ1      LYS   9  86.714  -8.770 -10.352
   67   3HZ   LYS   9           HZ3      LYS   9  87.093  -9.405  -8.827
   68    H    THR  10           HN       THR  10  85.055  -5.083  -8.699
   69    HA   THR  10           HA       THR  10  86.797  -6.928  -7.401
   70    HB   THR  10           HB       THR  10  88.530  -5.169  -7.840
   71    HG1  THR  10           HG1      THR  10  86.509  -3.706  -9.096
   72   1HG2  THR  10          HG23      THR  10  86.565  -5.966  -9.975
   73   2HG2  THR  10          HG22      THR  10  88.022  -5.055 -10.354
   74   3HG2  THR  10          HG21      THR  10  88.148  -6.659  -9.634
   75    H    TRP  11           HN       TRP  11  85.278  -3.994  -6.109
   76    HA   TRP  11           HA       TRP  11  86.698  -4.606  -3.535
   77   1HB   TRP  11          2HB       TRP  11  85.951  -1.969  -3.277
   78   2HB   TRP  11          3HB       TRP  11  87.564  -2.514  -3.752
   79    HD1  TRP  11           HD1      TRP  11  87.723  -3.105  -6.483
   80    HE1  TRP  11           HE1      TRP  11  86.845  -1.678  -8.449
   81    HE3  TRP  11           HE3      TRP  11  84.394  -0.188  -3.979
   82    HZ2  TRP  11           HZ2      TRP  11  84.970   0.467  -8.870
   83    HZ3  TRP  11           HZ3      TRP  11  83.074   1.541  -5.164
   84    HH2  TRP  11           HH2      TRP  11  83.363   1.875  -7.606
   85    H    ASN  12           HN       ASN  12  83.678  -3.644  -5.084
   86    HA   ASN  12           HA       ASN  12  82.211  -3.309  -2.601
   87   1HB   ASN  12          2HB       ASN  12  81.353  -3.757  -5.456
   88   2HB   ASN  12          3HB       ASN  12  80.199  -3.576  -4.142
   89   1HD2  ASN  12          HD22      ASN  12  82.536  -0.263  -4.235
   90   2HD2  ASN  12          HD21      ASN  12  83.186  -1.787  -3.864
   91    H    VAL  13           HN       VAL  13  81.303  -4.888  -1.361
   92    HA   VAL  13           HA       VAL  13  81.256  -7.645  -2.529
   93    HB   VAL  13           HB       VAL  13  81.538  -6.801   0.366
   94   1HG1  VAL  13          HG11      VAL  13  81.063  -9.382  -1.034
   95   2HG1  VAL  13          HG13      VAL  13  82.242  -9.404   0.277
   96   3HG1  VAL  13          HG12      VAL  13  80.589  -8.880   0.588
   97   1HG2  VAL  13          HG22      VAL  13  83.510  -7.935  -1.640
   98   2HG2  VAL  13          HG21      VAL  13  83.563  -6.335  -0.900
   99   3HG2  VAL  13          HG23      VAL  13  83.833  -7.773   0.085
  100    H    GLY  14           HN       GLY  14  79.371  -5.089  -1.362
  101   1HA   GLY  14          2HA       GLY  14  76.976  -5.062  -1.437
  102   2HA   GLY  14          3HA       GLY  14  76.980  -6.828  -1.422
  103    H    SER  15           HN       SER  15  75.460  -6.856   0.329
  104    HA   SER  15           HA       SER  15  76.168  -5.589   2.881
  105   1HB   SER  15          2HB       SER  15  74.086  -6.747   3.668
  106   2HB   SER  15          3HB       SER  15  73.821  -5.730   2.255
  107    HG   SER  15           HG       SER  15  74.185  -8.549   2.336
  108    H    SER  16           HN       SER  16  77.780  -6.550   4.075
  109    HA   SER  16           HA       SER  16  77.734  -9.536   4.276
  110   1HB   SER  16          2HB       SER  16  80.162  -7.721   4.201
  111   2HB   SER  16          3HB       SER  16  80.209  -9.450   4.539
  112    HG   SER  16           HG       SER  16  79.870  -9.854   2.490
  113    H    ASN  17           HN       ASN  17  78.035 -10.390   6.315
  114    HA   ASN  17           HA       ASN  17  77.406  -8.725   8.573
  115   1HB   ASN  17          2HB       ASN  17  76.856 -11.148   8.430
  116   2HB   ASN  17          3HB       ASN  17  78.575 -11.524   8.539
  117   1HD2  ASN  17          HD22      ASN  17  77.409 -11.759  12.004
  118   2HD2  ASN  17          HD21      ASN  17  77.313 -12.652  10.564
  119    H    ARG  18           HN       ARG  18  78.785  -8.072  10.287
  120    HA   ARG  18           HA       ARG  18  81.393  -7.250   9.520
  121   1HB   ARG  18          2HB       ARG  18  80.072  -7.505  12.223
  122   2HB   ARG  18          3HB       ARG  18  81.684  -6.819  12.009
  123   1HG   ARG  18          2HG       ARG  18  80.775  -5.155  10.436
  124   2HG   ARG  18          3HG       ARG  18  79.162  -5.835  10.647
  125   1HD   ARG  18          2HD       ARG  18  80.854  -4.656  12.868
  126   2HD   ARG  18          3HD       ARG  18  79.519  -3.830  12.066
  127    HE   ARG  18           HE       ARG  18  78.359  -6.168  12.956
  128   1HH1  ARG  18          HH21      ARG  18  80.360  -3.753  14.380
  129   2HH1  ARG  18          HH22      ARG  18  79.585  -3.833  15.928
  130   1HH2  ARG  18          HH11      ARG  18  77.339  -6.288  14.994
  131   2HH2  ARG  18          HH12      ARG  18  77.881  -5.253  16.270
  132    H    ASN  19           HN       ASN  19  80.314 -10.065  11.396
  133    HA   ASN  19           HA       ASN  19  82.920 -11.003  12.105
  134   1HB   ASN  19          2HB       ASN  19  81.795 -13.212  12.371
  135   2HB   ASN  19          3HB       ASN  19  80.867 -11.913  13.121
  136   1HD2  ASN  19          HD22      ASN  19  78.315 -13.675  11.181
  137   2HD2  ASN  19          HD21      ASN  19  79.160 -13.843  12.642
  138    H    LYS  20           HN       LYS  20  80.996 -11.301   9.163
  139    HA   LYS  20           HA       LYS  20  82.808 -13.231   7.934
  140   1HB   LYS  20          2HB       LYS  20  80.433 -13.145   7.278
  141   2HB   LYS  20          3HB       LYS  20  80.638 -11.485   6.719
  142   1HG   LYS  20          2HG       LYS  20  80.843 -12.736   4.739
  143   2HG   LYS  20          3HG       LYS  20  82.518 -12.465   5.211
  144   1HD   LYS  20          2HD       LYS  20  82.242 -14.807   4.608
  145   2HD   LYS  20          3HD       LYS  20  82.525 -14.693   6.343
  146   1HE   LYS  20          2HE       LYS  20  80.383 -15.350   6.874
  147   2HE   LYS  20          3HE       LYS  20  79.686 -14.622   5.426
  148   1HZ   LYS  20           HZ1      LYS  20  81.153 -16.486   4.295
  149   2HZ   LYS  20           HZ3      LYS  20  80.907 -17.252   5.789
  150   3HZ   LYS  20           HZ2      LYS  20  79.573 -16.797   4.839
  151    H    ALA  21           HN       ALA  21  82.372  -9.743   7.941
  152    HA   ALA  21           HA       ALA  21  84.111  -9.064   5.795
  153   1HB   ALA  21           HB2      ALA  21  82.552  -7.511   7.085
  154   2HB   ALA  21           HB1      ALA  21  83.790  -7.464   8.343
  155   3HB   ALA  21           HB3      ALA  21  84.150  -6.858   6.726
  156    H    GLU  22           HN       GLU  22  84.807  -9.512   9.288
  157    HA   GLU  22           HA       GLU  22  87.583  -8.901   9.099
  158   1HB   GLU  22          2HB       GLU  22  87.778 -10.406  11.150
  159   2HB   GLU  22          3HB       GLU  22  86.651  -9.061  11.294
  160   1HG   GLU  22          2HG       GLU  22  84.766 -10.531  10.834
  161   2HG   GLU  22          3HG       GLU  22  85.857 -11.888  10.535
  162    H    ASN  23           HN       ASN  23  85.852 -12.013   8.790
  163    HA   ASN  23           HA       ASN  23  88.114 -13.660   8.319
  164   1HB   ASN  23          2HB       ASN  23  85.289 -13.820   7.204
  165   2HB   ASN  23          3HB       ASN  23  86.499 -15.078   6.955
  166   1HD2  ASN  23          HD22      ASN  23  84.487 -15.925  10.020
  167   2HD2  ASN  23          HD21      ASN  23  84.097 -15.645   8.392
  168    H    LEU  24           HN       LEU  24  86.179 -11.653   6.081
  169    HA   LEU  24           HA       LEU  24  87.705 -12.377   3.729
  170   1HB   LEU  24          2HB       LEU  24  86.031  -9.905   4.294
  171   2HB   LEU  24          3HB       LEU  24  86.706 -10.329   2.723
  172    HG   LEU  24           HG       LEU  24  84.825 -12.096   4.296
  173   1HD1  LEU  24          HD12      LEU  24  84.377 -10.118   2.061
  174   2HD1  LEU  24          HD11      LEU  24  83.287 -11.484   2.308
  175   3HD1  LEU  24          HD13      LEU  24  83.493 -10.277   3.578
  176   1HD2  LEU  24          HD21      LEU  24  86.414 -12.366   1.806
  177   2HD2  LEU  24          HD23      LEU  24  85.846 -13.612   2.917
  178   3HD2  LEU  24          HD22      LEU  24  84.749 -12.935   1.712
  179    H    LEU  25           HN       LEU  25  88.072  -9.996   6.281
  180    HA   LEU  25           HA       LEU  25  90.278  -8.647   4.828
  181   1HB   LEU  25          2HB       LEU  25  89.051  -8.182   7.569
  182   2HB   LEU  25          3HB       LEU  25  90.358  -7.214   6.892
  183    HG   LEU  25           HG       LEU  25  87.886  -7.589   5.247
  184   1HD1  LEU  25          HD12      LEU  25  87.218  -6.979   7.653
  185   2HD1  LEU  25          HD11      LEU  25  88.068  -5.456   7.389
  186   3HD1  LEU  25          HD13      LEU  25  86.678  -5.875   6.388
  187   1HD2  LEU  25          HD21      LEU  25  90.041  -6.349   4.576
  188   2HD2  LEU  25          HD23      LEU  25  88.528  -5.467   4.362
  189   3HD2  LEU  25          HD22      LEU  25  89.563  -5.116   5.747
  190    H    ARG  26           HN       ARG  26  89.855 -11.308   6.872
  191    HA   ARG  26           HA       ARG  26  92.489 -11.046   8.157
  192   1HB   ARG  26          2HB       ARG  26  91.268 -12.109   9.739
  193   2HB   ARG  26          3HB       ARG  26  90.025 -12.581   8.584
  194   1HG   ARG  26          2HG       ARG  26  91.221 -14.510   7.923
  195   2HG   ARG  26          3HG       ARG  26  92.705 -13.958   8.700
  196   1HD   ARG  26          2HD       ARG  26  91.581 -14.118  10.909
  197   2HD   ARG  26          3HD       ARG  26  90.146 -14.761  10.111
  198    HE   ARG  26           HE       ARG  26  92.198 -16.441   9.278
  199   1HH1  ARG  26          HH21      ARG  26  90.960 -15.285  12.272
  200   2HH1  ARG  26          HH22      ARG  26  91.373 -16.715  13.155
  201   1HH2  ARG  26          HH11      ARG  26  92.747 -18.333  10.411
  202   2HH2  ARG  26          HH12      ARG  26  92.383 -18.448  12.102
  203    H    GLY  27           HN       GLY  27  94.306 -11.899   7.251
  204   1HA   GLY  27          2HA       GLY  27  95.530 -13.682   6.153
  205   2HA   GLY  27          3HA       GLY  27  94.014 -14.237   5.438
  206    H    LYS  28           HN       LYS  28  93.994 -10.958   5.164
  207    HA   LYS  28           HA       LYS  28  94.894 -11.110   2.342
  208   1HB   LYS  28          2HB       LYS  28  93.345  -8.967   3.843
  209   2HB   LYS  28          3HB       LYS  28  93.744  -8.909   2.132
  210   1HG   LYS  28          2HG       LYS  28  92.089 -11.100   3.425
  211   2HG   LYS  28          3HG       LYS  28  91.412  -9.713   2.576
  212   1HD   LYS  28          2HD       LYS  28  93.301 -10.722   0.791
  213   2HD   LYS  28          3HD       LYS  28  92.559 -12.163   1.485
  214   1HE   LYS  28          2HE       LYS  28  90.328 -11.324   0.915
  215   2HE   LYS  28          3HE       LYS  28  91.029  -9.834   0.295
  216   1HZ   LYS  28           HZ1      LYS  28  92.411 -11.723  -1.033
  217   2HZ   LYS  28           HZ3      LYS  28  90.877 -12.438  -0.929
  218   3HZ   LYS  28           HZ2      LYS  28  91.053 -10.908  -1.650
  219    H    ARG  29           HN       ARG  29  96.601  -9.849   1.628
  220    HA   ARG  29           HA       ARG  29  98.520  -8.938   3.604
  221   1HB   ARG  29          2HB       ARG  29  98.464  -8.536   0.594
  222   2HB   ARG  29          3HB       ARG  29  99.856  -8.254   1.640
  223   1HG   ARG  29          2HG       ARG  29  99.673 -10.678   2.363
  224   2HG   ARG  29          3HG       ARG  29  98.487 -10.897   1.077
  225   1HD   ARG  29          2HD       ARG  29 100.158 -10.114  -0.578
  226   2HD   ARG  29          3HD       ARG  29 101.340  -9.940   0.714
  227    HE   ARG  29           HE       ARG  29 100.513 -12.581   0.924
  228   1HH1  ARG  29          HH21      ARG  29 101.723 -10.544  -1.592
  229   2HH1  ARG  29          HH22      ARG  29 102.537 -11.832  -2.421
  230   1HH2  ARG  29          HH11      ARG  29 101.567 -14.271  -0.156
  231   2HH2  ARG  29          HH12      ARG  29 102.451 -13.939  -1.609
  232    H    ASP  30           HN       ASP  30  99.190  -6.727   3.935
  233    HA   ASP  30           HA       ASP  30  97.162  -4.820   4.257
  234   1HB   ASP  30          2HB       ASP  30 100.100  -4.348   3.676
  235   2HB   ASP  30          3HB       ASP  30  98.992  -3.135   4.314
  236    H    GLY  31           HN       GLY  31  96.438  -3.065   2.976
  237   1HA   GLY  31          2HA       GLY  31  96.540  -1.684   0.949
  238   2HA   GLY  31          3HA       GLY  31  97.417  -2.999   0.158
  239    H    THR  32           HN       THR  32  95.421  -4.917   1.452
  240    HA   THR  32           HA       THR  32  93.520  -4.828  -0.786
  241    HB   THR  32           HB       THR  32  93.743  -6.819   1.491
  242    HG1  THR  32           HG1      THR  32  95.576  -7.098   0.428
  243   1HG2  THR  32          HG23      THR  32  91.866  -6.475  -0.671
  244   2HG2  THR  32          HG22      THR  32  92.755  -7.981  -0.886
  245   3HG2  THR  32          HG21      THR  32  91.865  -7.687   0.612
  246    H    PHE  33           HN       PHE  33  91.559  -3.834  -0.625
  247    HA   PHE  33           HA       PHE  33  90.269  -3.825   2.057
  248   1HB   PHE  33          2HB       PHE  33  90.068  -1.571   2.184
  249   2HB   PHE  33          3HB       PHE  33  91.483  -1.595   1.139
  250    HD1  PHE  33           HD1      PHE  33  91.085  -1.517  -1.422
  251    HD2  PHE  33           HD2      PHE  33  88.044  -0.593   1.467
  252    HE1  PHE  33           HE1      PHE  33  89.787  -0.285  -3.150
  253    HE2  PHE  33           HE2      PHE  33  86.761   0.609  -0.298
  254    HZ   PHE  33           HZ       PHE  33  87.633   0.748  -2.574
  255    H    LEU  34           HN       LEU  34  87.923  -3.202   1.890
  256    HA   LEU  34           HA       LEU  34  86.771  -3.844  -0.771
  257   1HB   LEU  34          2HB       LEU  34  85.314  -5.539   0.104
  258   2HB   LEU  34          3HB       LEU  34  86.948  -5.943   0.609
  259    HG   LEU  34           HG       LEU  34  85.987  -4.281   2.640
  260   1HD1  LEU  34          HD12      LEU  34  83.722  -4.722   1.545
  261   2HD1  LEU  34          HD11      LEU  34  83.931  -6.413   2.013
  262   3HD1  LEU  34          HD13      LEU  34  83.845  -5.156   3.250
  263   1HD2  LEU  34          HD22      LEU  34  87.432  -6.387   2.703
  264   2HD2  LEU  34          HD21      LEU  34  86.237  -6.252   3.993
  265   3HD2  LEU  34          HD23      LEU  34  85.934  -7.312   2.616
  266    H    VAL  35           HN       VAL  35  84.451  -3.248  -0.901
  267    HA   VAL  35           HA       VAL  35  83.856  -0.995   0.962
  268    HB   VAL  35           HB       VAL  35  83.189  -1.463  -1.950
  269   1HG1  VAL  35          HG12      VAL  35  81.627  -0.019   0.069
  270   2HG1  VAL  35          HG11      VAL  35  82.119   1.004  -1.281
  271   3HG1  VAL  35          HG13      VAL  35  81.189  -0.465  -1.581
  272   1HG2  VAL  35          HG23      VAL  35  84.592   0.686  -0.348
  273   2HG2  VAL  35          HG22      VAL  35  85.287  -0.363  -1.586
  274   3HG2  VAL  35          HG21      VAL  35  84.137   0.896  -2.039
  275    H    ARG  36           HN       ARG  36  82.164  -1.246   2.287
  276    HA   ARG  36           HA       ARG  36  79.898  -2.978   1.467
  277   1HB   ARG  36          2HB       ARG  36  79.956  -4.232   3.545
  278   2HB   ARG  36          3HB       ARG  36  81.559  -4.337   2.817
  279   1HG   ARG  36          2HG       ARG  36  82.408  -2.602   4.278
  280   2HG   ARG  36          3HG       ARG  36  80.796  -2.301   4.925
  281   1HD   ARG  36          2HD       ARG  36  80.723  -4.622   5.786
  282   2HD   ARG  36          3HD       ARG  36  82.394  -4.844   5.238
  283    HE   ARG  36           HE       ARG  36  82.606  -2.611   6.785
  284   1HH1  ARG  36          HH21      ARG  36  81.121  -5.688   7.183
  285   2HH1  ARG  36          HH22      ARG  36  81.373  -5.733   8.895
  286   1HH2  ARG  36          HH11      ARG  36  82.964  -2.654   9.007
  287   2HH2  ARG  36          HH12      ARG  36  82.450  -4.028   9.931
  288    H    GLU  37           HN       GLU  37  78.293  -2.793   3.655
  289    HA   GLU  37           HA       GLU  37  78.089   0.139   4.010
  290   1HB   GLU  37          2HB       GLU  37  75.732  -0.895   4.947
  291   2HB   GLU  37          3HB       GLU  37  75.980  -0.327   3.292
  292   1HG   GLU  37          2HG       GLU  37  76.364  -2.512   2.484
  293   2HG   GLU  37          3HG       GLU  37  76.657  -3.150   4.101
  294    H    SER  38           HN       SER  38  76.985   0.680   6.187
  295    HA   SER  38           HA       SER  38  78.670  -0.452   8.303
  296   1HB   SER  38          2HB       SER  38  76.306   1.460   8.447
  297   2HB   SER  38          3HB       SER  38  77.379   1.075   9.788
  298    HG   SER  38           HG       SER  38  77.984   2.401   7.357
  299    H    SER  39           HN       SER  39  76.502  -1.748   6.590
  300    HA   SER  39           HA       SER  39  75.597  -3.921   7.179
  301   1HB   SER  39          2HB       SER  39  74.407  -4.243   9.269
  302   2HB   SER  39          3HB       SER  39  75.955  -3.499   9.654
  303    HG   SER  39           HG       SER  39  73.431  -2.213   9.394
  304    H    LYS  40           HN       LYS  40  74.140  -0.749   7.637
  305    HA   LYS  40           HA       LYS  40  71.628  -1.730   6.391
  306   1HB   LYS  40          2HB       LYS  40  71.574  -0.234   8.437
  307   2HB   LYS  40          3HB       LYS  40  72.250   1.050   7.435
  308   1HG   LYS  40          2HG       LYS  40  70.334   0.935   5.925
  309   2HG   LYS  40          3HG       LYS  40  69.673  -0.427   6.827
  310   1HD   LYS  40          2HD       LYS  40  69.503   1.020   8.842
  311   2HD   LYS  40          3HD       LYS  40  70.089   2.385   7.886
  312   1HE   LYS  40          2HE       LYS  40  67.609   0.769   7.217
  313   2HE   LYS  40          3HE       LYS  40  67.587   2.311   8.069
  314   1HZ   LYS  40           HZ3      LYS  40  69.099   2.297   5.601
  315   2HZ   LYS  40           HZ2      LYS  40  67.428   2.062   5.415
  316   3HZ   LYS  40           HZ1      LYS  40  68.009   3.450   6.198
  317    H    GLN  41           HN       GLN  41  71.409  -1.512   4.225
  318    HA   GLN  41           HA       GLN  41  73.349  -0.566   2.470
  319   1HB   GLN  41          2HB       GLN  41  71.375  -1.851   1.729
  320   2HB   GLN  41          3HB       GLN  41  70.343  -0.461   2.060
  321   1HG   GLN  41          2HG       GLN  41  72.691  -0.015   0.279
  322   2HG   GLN  41          3HG       GLN  41  71.332  -0.920  -0.384
  323   1HE2  GLN  41          HE22      GLN  41  69.884   2.227  -1.141
  324   2HE2  GLN  41          HE21      GLN  41  70.529   0.788  -1.766
  325    H    GLY  42           HN       GLY  42  71.317   1.270   4.510
  326   1HA   GLY  42          2HA       GLY  42  71.146   3.684   3.007
  327   2HA   GLY  42          3HA       GLY  42  71.015   3.572   4.760
  328    H    CYS  43           HN       CYS  43  73.659   2.473   5.208
  329    HA   CYS  43           HA       CYS  43  75.239   4.912   4.523
  330   1HB   CYS  43          2HB       CYS  43  74.798   4.540   6.941
  331   2HB   CYS  43          3HB       CYS  43  75.645   2.996   6.831
  332    HG   CYS  43           HG       CYS  43  77.856   4.190   6.578
  333    H    TYR  44           HN       TYR  44  77.466   4.636   3.939
  334    HA   TYR  44           HA       TYR  44  78.087   1.889   2.976
  335   1HB   TYR  44          2HB       TYR  44  78.978   4.544   1.819
  336   2HB   TYR  44          3HB       TYR  44  79.492   2.967   1.227
  337    HD1  TYR  44           HD1      TYR  44  77.134   1.319   1.156
  338    HD2  TYR  44           HD2      TYR  44  77.494   5.522   0.333
  339    HE1  TYR  44           HE1      TYR  44  75.114   1.212  -0.270
  340    HE2  TYR  44           HE2      TYR  44  75.474   5.411  -1.096
  341    HH   TYR  44           HH       TYR  44  73.970   4.072  -2.054
  342    H    ALA  45           HN       ALA  45  80.379   1.244   3.115
  343    HA   ALA  45           HA       ALA  45  82.142   2.953   4.741
  344   1HB   ALA  45           HB2      ALA  45  80.879   0.418   5.761
  345   2HB   ALA  45           HB1      ALA  45  82.460   0.933   6.349
  346   3HB   ALA  45           HB3      ALA  45  81.051   1.970   6.581
  347    H    CYS  46           HN       CYS  46  84.304   2.467   4.322
  348    HA   CYS  46           HA       CYS  46  84.752   0.039   2.642
  349   1HB   CYS  46          2HB       CYS  46  86.709   1.185   1.717
  350   2HB   CYS  46          3HB       CYS  46  85.269   2.178   1.490
  351    HG   CYS  46           HG       CYS  46  87.627   2.822   3.376
  352    H    SER  47           HN       SER  47  85.923  -1.527   3.587
  353    HA   SER  47           HA       SER  47  87.436  -0.827   6.068
  354   1HB   SER  47          2HB       SER  47  85.644  -2.470   6.390
  355   2HB   SER  47          3HB       SER  47  86.326  -3.489   5.120
  356    HG   SER  47           HG       SER  47  87.903  -4.075   6.423
  357    H    VAL  48           HN       VAL  48  89.630  -1.298   6.188
  358    HA   VAL  48           HA       VAL  48  90.798  -2.779   3.876
  359    HB   VAL  48           HB       VAL  48  91.156  -0.357   3.538
  360   1HG1  VAL  48          HG13      VAL  48  91.289  -0.177   6.239
  361   2HG1  VAL  48          HG12      VAL  48  93.007  -0.150   5.835
  362   3HG1  VAL  48          HG11      VAL  48  91.921   1.058   5.150
  363   1HG2  VAL  48          HG21      VAL  48  92.914  -2.116   2.944
  364   2HG2  VAL  48          HG23      VAL  48  93.495  -0.457   3.094
  365   3HG2  VAL  48          HG22      VAL  48  93.766  -1.606   4.404
  366    H    VAL  49           HN       VAL  49  93.022  -3.547   4.342
  367    HA   VAL  49           HA       VAL  49  93.310  -4.276   7.235
  368    HB   VAL  49           HB       VAL  49  94.355  -5.716   4.784
  369   1HG1  VAL  49          HG11      VAL  49  94.955  -5.927   7.668
  370   2HG1  VAL  49          HG13      VAL  49  94.583  -7.456   6.876
  371   3HG1  VAL  49          HG12      VAL  49  95.906  -6.458   6.281
  372   1HG2  VAL  49          HG23      VAL  49  91.802  -5.748   5.868
  373   2HG2  VAL  49          HG22      VAL  49  92.503  -7.016   4.857
  374   3HG2  VAL  49          HG21      VAL  49  92.578  -7.144   6.614
  375    H    VAL  50           HN       VAL  50  95.077  -3.414   8.254
  376    HA   VAL  50           HA       VAL  50  97.531  -2.898   6.729
  377    HB   VAL  50           HB       VAL  50  96.178  -0.931   6.191
  378   1HG1  VAL  50          HG12      VAL  50  95.030  -1.247   8.593
  379   2HG1  VAL  50          HG11      VAL  50  96.203   0.006   9.007
  380   3HG1  VAL  50          HG13      VAL  50  95.013   0.292   7.736
  381   1HG2  VAL  50          HG23      VAL  50  98.676  -0.752   6.626
  382   2HG2  VAL  50          HG22      VAL  50  97.791   0.755   6.846
  383   3HG2  VAL  50          HG21      VAL  50  98.279  -0.186   8.246
  384    H    ASP  51           HN       ASP  51  99.210  -1.860   8.190
  385    HA   ASP  51           HA       ASP  51 100.537  -2.222  10.099
  386   1HB   ASP  51          2HB       ASP  51  99.281  -0.141  10.613
  387   2HB   ASP  51          3HB       ASP  51  98.043  -1.111  11.407
  388    H    GLY  52           HN       GLY  52  98.680  -4.493   9.369
  389   1HA   GLY  52          2HA       GLY  52  98.522  -6.649  10.319
  390   2HA   GLY  52          3HA       GLY  52  99.200  -5.993  11.805
  391    H    GLU  53           HN       GLU  53  96.719  -3.942  11.105
  392    HA   GLU  53           HA       GLU  53  94.801  -5.610  12.675
  393   1HB   GLU  53          2HB       GLU  53  95.662  -3.812  14.060
  394   2HB   GLU  53          3HB       GLU  53  95.288  -2.627  12.812
  395   1HG   GLU  53          2HG       GLU  53  93.558  -2.630  14.563
  396   2HG   GLU  53          3HG       GLU  53  92.898  -3.139  13.008
  397    H    VAL  54           HN       VAL  54  92.670  -5.581  12.075
  398    HA   VAL  54           HA       VAL  54  92.115  -4.714   9.334
  399    HB   VAL  54           HB       VAL  54  90.426  -6.145  11.421
  400   1HG1  VAL  54          HG13      VAL  54  89.845  -5.185   8.639
  401   2HG1  VAL  54          HG12      VAL  54  89.141  -6.708   9.184
  402   3HG1  VAL  54          HG11      VAL  54  88.786  -5.212  10.051
  403   1HG2  VAL  54          HG22      VAL  54  92.447  -7.318  10.424
  404   2HG2  VAL  54          HG21      VAL  54  90.907  -8.122  10.121
  405   3HG2  VAL  54          HG23      VAL  54  91.668  -7.163   8.850
  406    H    LYS  55           HN       LYS  55  91.153  -2.823   8.813
  407    HA   LYS  55           HA       LYS  55  89.986  -1.194  11.031
  408   1HB   LYS  55          2HB       LYS  55  91.382  -0.476   8.464
  409   2HB   LYS  55          3HB       LYS  55  90.353   0.690   9.292
  410   1HG   LYS  55          2HG       LYS  55  92.668   0.951  10.009
  411   2HG   LYS  55          3HG       LYS  55  91.679   0.391  11.354
  412   1HD   LYS  55          2HD       LYS  55  92.576  -1.771  11.274
  413   2HD   LYS  55          3HD       LYS  55  93.122  -1.589   9.606
  414   1HE   LYS  55          2HE       LYS  55  94.656   0.283  10.540
  415   2HE   LYS  55          3HE       LYS  55  94.321  -0.408  12.119
  416   1HZ   LYS  55           HZ1      LYS  55  94.956  -2.570  10.666
  417   2HZ   LYS  55           HZ3      LYS  55  95.963  -1.399   9.967
  418   3HZ   LYS  55           HZ2      LYS  55  96.049  -1.705  11.637
  419    H    HIS  56           HN       HIS  56  88.110   0.128  10.523
  420    HA   HIS  56           HA       HIS  56  86.534  -0.866   8.196
  421   1HB   HIS  56          2HB       HIS  56  85.506  -0.406  11.011
  422   2HB   HIS  56          3HB       HIS  56  84.493  -0.766   9.609
  423    HD1  HIS  56           HD1      HIS  56  86.040  -2.943   8.222
  424    HD2  HIS  56           HD2      HIS  56  85.609  -2.812  12.364
  425    HE1  HIS  56           HE1      HIS  56  86.415  -5.305   9.055
  426    H    CYS  57           HN       CYS  57  87.487   1.209   7.340
  427    HA   CYS  57           HA       CYS  57  86.741   3.737   8.462
  428   1HB   CYS  57          2HB       CYS  57  88.546   3.434   6.780
  429   2HB   CYS  57          3HB       CYS  57  87.327   3.064   5.566
  430    HG   CYS  57           HG       CYS  57  86.598   5.480   5.513
  431    H    VAL  58           HN       VAL  58  84.929   4.942   8.247
  432    HA   VAL  58           HA       VAL  58  82.597   3.597   7.018
  433    HB   VAL  58           HB       VAL  58  82.542   4.439   9.380
  434   1HG1  VAL  58          HG11      VAL  58  83.862   6.510   8.961
  435   2HG1  VAL  58          HG13      VAL  58  82.524   7.147   8.006
  436   3HG1  VAL  58          HG12      VAL  58  82.315   6.858   9.733
  437   1HG2  VAL  58          HG23      VAL  58  80.635   4.922   7.218
  438   2HG2  VAL  58          HG22      VAL  58  80.342   4.303   8.844
  439   3HG2  VAL  58          HG21      VAL  58  80.404   6.042   8.560
  440    H    ILE  59           HN       ILE  59  81.406   4.431   5.383
  441    HA   ILE  59           HA       ILE  59  82.342   6.980   4.151
  442    HB   ILE  59           HB       ILE  59  81.155   4.527   2.824
  443   1HG1  ILE  59          HG12      ILE  59  83.541   4.368   3.712
  444   2HG1  ILE  59          HG11      ILE  59  83.354   4.076   1.985
  445   1HG2  ILE  59          HG22      ILE  59  82.003   7.223   1.785
  446   2HG2  ILE  59          HG21      ILE  59  81.989   5.808   0.737
  447   3HG2  ILE  59          HG23      ILE  59  80.496   6.356   1.497
  448   1HD1  ILE  59          HD11      ILE  59  83.740   6.901   2.484
  449   2HD1  ILE  59          HD13      ILE  59  85.042   5.964   3.216
  450   3HD1  ILE  59          HD12      ILE  59  84.700   5.806   1.493
  451    H    ASN  60           HN       ASN  60  80.684   8.448   3.471
  452    HA   ASN  60           HA       ASN  60  77.945   7.690   4.411
  453   1HB   ASN  60          2HB       ASN  60  79.250  10.415   4.215
  454   2HB   ASN  60          3HB       ASN  60  77.543  10.164   4.580
  455   1HD2  ASN  60          HD22      ASN  60  78.558   8.324   7.683
  456   2HD2  ASN  60          HD21      ASN  60  77.749   7.873   6.261
  457    H    LYS  61           HN       LYS  61  76.135   8.629   3.110
  458    HA   LYS  61           HA       LYS  61  76.973   8.954   0.259
  459   1HB   LYS  61          2HB       LYS  61  75.092   7.664  -0.422
  460   2HB   LYS  61          3HB       LYS  61  75.803   6.783   0.932
  461   1HG   LYS  61          2HG       LYS  61  74.172   7.827   2.474
  462   2HG   LYS  61          3HG       LYS  61  73.431   8.662   1.109
  463   1HD   LYS  61          2HD       LYS  61  72.945   6.471   0.045
  464   2HD   LYS  61          3HD       LYS  61  73.625   5.654   1.451
  465   1HE   LYS  61          2HE       LYS  61  71.926   6.660   2.902
  466   2HE   LYS  61          3HE       LYS  61  71.273   7.569   1.536
  467   1HZ   LYS  61           HZ3      LYS  61  71.493   4.659   1.268
  468   2HZ   LYS  61           HZ2      LYS  61  70.264   5.267   2.272
  469   3HZ   LYS  61           HZ1      LYS  61  70.332   5.722   0.636
  470    H    THR  62           HN       THR  62  76.227  10.936   2.506
  471    HA   THR  62           HA       THR  62  73.814  12.150   1.280
  472    HB   THR  62           HB       THR  62  75.386  12.895   3.768
  473    HG1  THR  62           HG1      THR  62  74.138  11.505   4.694
  474   1HG2  THR  62          HG22      THR  62  73.130  14.169   2.309
  475   2HG2  THR  62          HG21      THR  62  73.013  14.118   4.067
  476   3HG2  THR  62          HG23      THR  62  74.389  14.904   3.297
  477    H    ALA  63           HN       ALA  63  73.897  14.414   0.559
  478    HA   ALA  63           HA       ALA  63  75.944  15.093  -1.182
  479   1HB   ALA  63           HB3      ALA  63  73.692  16.309  -0.663
  480   2HB   ALA  63           HB2      ALA  63  74.648  17.246   0.481
  481   3HB   ALA  63           HB1      ALA  63  75.054  17.271  -1.234
  482    H    THR  64           HN       THR  64  75.719  16.200   2.230
  483    HA   THR  64           HA       THR  64  78.539  17.090   2.099
  484    HB   THR  64           HB       THR  64  76.574  17.140   4.419
  485    HG1  THR  64           HG1      THR  64  77.081  18.790   2.259
  486   1HG2  THR  64          HG22      THR  64  79.411  17.976   4.067
  487   2HG2  THR  64          HG21      THR  64  78.362  19.087   4.947
  488   3HG2  THR  64          HG23      THR  64  78.571  17.432   5.520
  489    H    GLY  65           HN       GLY  65  76.982  14.223   2.501
  490   1HA   GLY  65          2HA       GLY  65  78.513  13.146   4.743
  491   2HA   GLY  65          3HA       GLY  65  77.472  12.227   3.658
  492    H    TYR  66           HN       TYR  66  78.365  11.224   1.876
  493    HA   TYR  66           HA       TYR  66  80.091  10.120   0.739
  494   1HB   TYR  66          2HB       TYR  66  81.056  12.988   0.723
  495   2HB   TYR  66          3HB       TYR  66  81.817  11.696  -0.202
  496    HD1  TYR  66           HD1      TYR  66  79.913  10.127  -1.432
  497    HD2  TYR  66           HD2      TYR  66  79.584  14.310  -0.503
  498    HE1  TYR  66           HE1      TYR  66  78.206  10.389  -3.213
  499    HE2  TYR  66           HE2      TYR  66  77.882  14.571  -2.286
  500    HH   TYR  66           HH       TYR  66  76.167  12.940  -3.434
  501    H    GLY  67           HN       GLY  67  82.714  10.067   0.716
  502   1HA   GLY  67          2HA       GLY  67  83.459   9.166   3.337
  503   2HA   GLY  67          3HA       GLY  67  84.563   9.357   1.979
  504    H    PHE  68           HN       PHE  68  84.140  12.157   1.534
  505    HA   PHE  68           HA       PHE  68  85.057  13.329   4.116
  506   1HB   PHE  68          2HB       PHE  68  86.366  13.563   1.398
  507   2HB   PHE  68          3HB       PHE  68  86.659  14.736   2.676
  508    HD1  PHE  68           HD1      PHE  68  86.986  13.447   5.106
  509    HD2  PHE  68           HD2      PHE  68  87.996  11.912   1.221
  510    HE1  PHE  68           HE1      PHE  68  88.615  11.897   6.144
  511    HE2  PHE  68           HE2      PHE  68  89.630  10.365   2.265
  512    HZ   PHE  68           HZ       PHE  68  89.938  10.355   4.723
  513    H    ALA  69           HN       ALA  69  84.210  14.291   0.762
  514    HA   ALA  69           HA       ALA  69  82.658  15.887   0.017
  515   1HB   ALA  69           HB3      ALA  69  81.601  14.833   2.437
  516   2HB   ALA  69           HB2      ALA  69  81.347  16.578   2.471
  517   3HB   ALA  69           HB1      ALA  69  80.722  15.622   1.128
  518    H    GLU  70           HN       GLU  70  85.302  16.654   1.169
  519    HA   GLU  70           HA       GLU  70  84.984  19.092   2.681
  520   1HB   GLU  70          2HB       GLU  70  87.257  17.994   1.005
  521   2HB   GLU  70          3HB       GLU  70  87.382  19.509   1.895
  522   1HG   GLU  70          2HG       GLU  70  86.681  16.836   3.133
  523   2HG   GLU  70          3HG       GLU  70  88.276  17.588   3.194
  524    HA   PRO  71           HA       PRO  71  83.742  22.229  -0.161
  525   1HB   PRO  71          2HB       PRO  71  86.427  23.463   0.324
  526   2HB   PRO  71          3HB       PRO  71  84.822  24.213   0.369
  527   1HG   PRO  71          2HG       PRO  71  86.128  23.560   2.604
  528   2HG   PRO  71          3HG       PRO  71  84.366  23.439   2.475
  529   1HD   PRO  71          2HD       PRO  71  86.378  21.275   2.604
  530   2HD   PRO  71          3HD       PRO  71  84.645  21.228   2.993
  531    H    TYR  72           HN       TYR  72  86.803  20.624  -0.593
  532    HA   TYR  72           HA       TYR  72  87.430  21.711  -3.184
  533   1HB   TYR  72          2HB       TYR  72  88.211  19.083  -1.885
  534   2HB   TYR  72          3HB       TYR  72  88.907  19.699  -3.385
  535    HD1  TYR  72           HD2      TYR  72  90.231  21.817  -3.380
  536    HD2  TYR  72           HD1      TYR  72  88.836  20.001   0.255
  537    HE1  TYR  72           HE2      TYR  72  91.829  23.197  -2.077
  538    HE2  TYR  72           HE1      TYR  72  90.435  21.380   1.558
  539    HH   TYR  72           HH       TYR  72  91.791  23.221   1.450
  540    H    ASN  73           HN       ASN  73  84.901  19.764  -2.165
  541    HA   ASN  73           HA       ASN  73  83.273  18.577  -3.352
  542   1HB   ASN  73          2HB       ASN  73  83.382  20.546  -4.876
  543   2HB   ASN  73          3HB       ASN  73  84.652  19.743  -5.798
  544   1HD2  ASN  73          HD22      ASN  73  82.230  18.122  -7.759
  545   2HD2  ASN  73          HD21      ASN  73  83.712  18.951  -7.689
  546    H    LEU  74           HN       LEU  74  83.101  16.463  -4.120
  547    HA   LEU  74           HA       LEU  74  85.567  14.939  -4.210
  548   1HB   LEU  74          2HB       LEU  74  82.684  14.166  -4.743
  549   2HB   LEU  74          3HB       LEU  74  84.024  13.015  -4.686
  550    HG   LEU  74           HG       LEU  74  83.310  14.895  -2.421
  551   1HD1  LEU  74          HD11      LEU  74  81.823  12.738  -3.260
  552   2HD1  LEU  74          HD13      LEU  74  82.896  12.006  -2.063
  553   3HD1  LEU  74          HD12      LEU  74  81.857  13.364  -1.610
  554   1HD2  LEU  74          HD22      LEU  74  85.395  12.796  -2.893
  555   2HD2  LEU  74          HD21      LEU  74  85.516  14.312  -2.004
  556   3HD2  LEU  74          HD23      LEU  74  84.713  12.923  -1.273
  557    H    TYR  75           HN       TYR  75  83.610  13.538  -6.515
  558    HA   TYR  75           HA       TYR  75  84.720  15.077  -8.779
  559   1HB   TYR  75          2HB       TYR  75  85.528  12.262  -8.092
  560   2HB   TYR  75          3HB       TYR  75  85.609  12.855  -9.754
  561    HD1  TYR  75           HD2      TYR  75  86.789  13.481  -6.272
  562    HD2  TYR  75           HD1      TYR  75  87.319  14.368 -10.442
  563    HE1  TYR  75           HE2      TYR  75  88.897  14.676  -5.753
  564    HE2  TYR  75           HE1      TYR  75  89.427  15.565  -9.919
  565    HH   TYR  75           HH       TYR  75  90.486  16.034  -6.565
  566    H    SER  76           HN       SER  76  84.230  13.244 -10.814
  567    HA   SER  76           HA       SER  76  81.402  13.548 -11.158
  568   1HB   SER  76          2HB       SER  76  83.086  13.465 -13.014
  569   2HB   SER  76          3HB       SER  76  83.244  11.736 -12.730
  570    HG   SER  76           HG       SER  76  81.003  13.211 -13.613
  571    H    SER  77           HN       SER  77  83.362  10.642 -10.352
  572    HA   SER  77           HA       SER  77  80.777   9.376  -9.579
  573   1HB   SER  77          2HB       SER  77  81.453   8.574 -11.838
  574   2HB   SER  77          3HB       SER  77  82.955   7.968 -11.145
  575    HG   SER  77           HG       SER  77  81.506   6.293 -11.126
  576    H    LEU  78           HN       LEU  78  80.990   7.602  -8.073
  577    HA   LEU  78           HA       LEU  78  82.780   8.110  -5.924
  578   1HB   LEU  78          2HB       LEU  78  81.173   5.629  -6.625
  579   2HB   LEU  78          3HB       LEU  78  82.008   5.858  -5.089
  580    HG   LEU  78           HG       LEU  78  79.916   7.768  -6.178
  581   1HD1  LEU  78          HD13      LEU  78  79.020   5.480  -5.625
  582   2HD1  LEU  78          HD12      LEU  78  79.620   5.702  -3.981
  583   3HD1  LEU  78          HD11      LEU  78  78.364   6.763  -4.609
  584   1HD2  LEU  78          HD22      LEU  78  81.792   7.813  -3.944
  585   2HD2  LEU  78          HD21      LEU  78  80.765   9.109  -4.565
  586   3HD2  LEU  78          HD23      LEU  78  80.122   7.958  -3.391
  587    H    LYS  79           HN       LYS  79  83.103   6.105  -8.805
  588    HA   LYS  79           HA       LYS  79  85.199   4.385  -8.010
  589   1HB   LYS  79          2HB       LYS  79  84.696   5.787 -10.651
  590   2HB   LYS  79          3HB       LYS  79  85.951   4.567 -10.434
  591   1HG   LYS  79          2HG       LYS  79  84.320   2.888  -9.839
  592   2HG   LYS  79          3HG       LYS  79  83.029   4.091  -9.793
  593   1HD   LYS  79          2HD       LYS  79  83.259   4.497 -12.186
  594   2HD   LYS  79          3HD       LYS  79  84.635   3.397 -12.266
  595   1HE   LYS  79          2HE       LYS  79  83.239   1.506 -11.692
  596   2HE   LYS  79          3HE       LYS  79  81.863   2.561 -11.372
  597   1HZ   LYS  79           HZ1      LYS  79  82.684   3.212 -13.905
  598   2HZ   LYS  79           HZ3      LYS  79  82.798   1.519 -13.853
  599   3HZ   LYS  79           HZ2      LYS  79  81.322   2.281 -13.493
  600    H    GLU  80           HN       GLU  80  85.297   7.763  -9.106
  601    HA   GLU  80           HA       GLU  80  88.149   8.019  -8.974
  602   1HB   GLU  80          2HB       GLU  80  86.640   9.641 -10.129
  603   2HB   GLU  80          3HB       GLU  80  86.056  10.180  -8.555
  604   1HG   GLU  80          2HG       GLU  80  89.012  10.129  -9.086
  605   2HG   GLU  80          3HG       GLU  80  88.045  11.459  -9.725
  606    H    LEU  81           HN       LEU  81  85.550   8.391  -6.588
  607    HA   LEU  81           HA       LEU  81  87.107   9.497  -4.469
  608   1HB   LEU  81          2HB       LEU  81  84.655   9.317  -4.363
  609   2HB   LEU  81          3HB       LEU  81  84.773   7.561  -4.316
  610    HG   LEU  81           HG       LEU  81  86.254   9.222  -2.296
  611   1HD1  LEU  81          HD12      LEU  81  83.903  10.006  -2.280
  612   2HD1  LEU  81          HD11      LEU  81  83.364   8.342  -2.058
  613   3HD1  LEU  81          HD13      LEU  81  84.318   9.135  -0.805
  614   1HD2  LEU  81          HD22      LEU  81  85.503   6.388  -2.697
  615   2HD2  LEU  81          HD21      LEU  81  86.863   7.078  -1.820
  616   3HD2  LEU  81          HD23      LEU  81  85.281   6.981  -1.052
  617    H    VAL  82           HN       VAL  82  86.439   6.080  -5.293
  618    HA   VAL  82           HA       VAL  82  88.018   4.952  -3.203
  619    HB   VAL  82           HB       VAL  82  87.467   3.868  -5.981
  620   1HG1  VAL  82          HG12      VAL  82  88.451   2.576  -3.431
  621   2HG1  VAL  82          HG11      VAL  82  87.926   1.680  -4.857
  622   3HG1  VAL  82          HG13      VAL  82  89.341   2.729  -4.946
  623   1HG2  VAL  82          HG23      VAL  82  86.048   3.540  -3.319
  624   2HG2  VAL  82          HG22      VAL  82  85.387   4.271  -4.786
  625   3HG2  VAL  82          HG21      VAL  82  85.724   2.541  -4.737
  626    H    LEU  83           HN       LEU  83  88.826   6.048  -6.492
  627    HA   LEU  83           HA       LEU  83  91.540   5.128  -6.504
  628   1HB   LEU  83          2HB       LEU  83  90.194   7.417  -7.963
  629   2HB   LEU  83          3HB       LEU  83  91.861   6.920  -8.260
  630    HG   LEU  83           HG       LEU  83  89.445   5.107  -8.505
  631   1HD1  LEU  83          HD11      LEU  83  90.091   7.098 -10.227
  632   2HD1  LEU  83          HD13      LEU  83  91.133   5.815 -10.843
  633   3HD1  LEU  83          HD12      LEU  83  89.389   5.566 -10.749
  634   1HD2  LEU  83          HD22      LEU  83  92.396   4.737  -8.623
  635   2HD2  LEU  83          HD21      LEU  83  91.141   3.599  -8.141
  636   3HD2  LEU  83          HD23      LEU  83  91.450   3.896  -9.850
  637    H    HIS  84           HN       HIS  84  90.046   8.103  -5.270
  638    HA   HIS  84           HA       HIS  84  92.406   9.611  -4.878
  639   1HB   HIS  84          2HB       HIS  84  89.674   9.648  -3.812
  640   2HB   HIS  84          3HB       HIS  84  90.874  10.236  -2.659
  641    HD1  HIS  84           HD1      HIS  84  91.498  10.644  -6.311
  642    HD2  HIS  84           HD2      HIS  84  90.113  12.968  -3.141
  643    HE1  HIS  84           HE1      HIS  84  91.481  13.036  -7.135
  644    H    TYR  85           HN       TYR  85  90.868   7.286  -2.618
  645    HA   TYR  85           HA       TYR  85  92.867   7.565  -0.592
  646   1HB   TYR  85          2HB       TYR  85  91.042   5.263  -1.300
  647   2HB   TYR  85          3HB       TYR  85  92.122   5.243   0.095
  648    HD1  TYR  85           HD2      TYR  85  89.260   7.023  -1.467
  649    HD2  TYR  85           HD1      TYR  85  91.645   6.496   2.065
  650    HE1  TYR  85           HE2      TYR  85  87.622   8.351  -0.163
  651    HE2  TYR  85           HE1      TYR  85  90.009   7.827   3.371
  652    HH   TYR  85           HH       TYR  85  87.046   8.355   2.603
  653    H    GLN  86           HN       GLN  86  92.769   5.733  -3.568
  654    HA   GLN  86           HA       GLN  86  94.919   3.942  -3.047
  655   1HB   GLN  86          2HB       GLN  86  93.461   3.696  -4.998
  656   2HB   GLN  86          3HB       GLN  86  94.047   5.219  -5.656
  657   1HG   GLN  86          2HG       GLN  86  96.321   4.312  -5.780
  658   2HG   GLN  86          3HG       GLN  86  95.748   2.786  -5.113
  659   1HE2  GLN  86          HE22      GLN  86  94.337   1.666  -8.172
  660   2HE2  GLN  86          HE21      GLN  86  94.507   1.364  -6.511
  661    H    HIS  87           HN       HIS  87  94.863   7.321  -4.092
  662    HA   HIS  87           HA       HIS  87  97.817   7.309  -4.334
  663   1HB   HIS  87          2HB       HIS  87  95.787   9.484  -4.911
  664   2HB   HIS  87          3HB       HIS  87  97.519   9.597  -5.227
  665    HD1  HIS  87           HD1      HIS  87  94.431   7.726  -6.344
  666    HD2  HIS  87           HD2      HIS  87  98.394   8.244  -7.529
  667    HE1  HIS  87           HE1      HIS  87  94.636   6.671  -8.637
  668    H    THR  88           HN       THR  88  95.464   7.993  -1.958
  669    HA   THR  88           HA       THR  88  97.420   9.773  -0.559
  670    HB   THR  88           HB       THR  88  94.426   9.557  -0.140
  671    HG1  THR  88           HG1      THR  88  96.110  11.185  -1.646
  672   1HG2  THR  88          HG21      THR  88  96.519  11.404   1.045
  673   2HG2  THR  88          HG23      THR  88  94.778  11.563   1.276
  674   3HG2  THR  88          HG22      THR  88  95.626  10.154   1.913
  675    H    SER  89           HN       SER  89  98.321   9.038   1.258
  676    HA   SER  89           HA       SER  89  97.732   6.360   2.232
  677   1HB   SER  89          2HB       SER  89 100.019   7.270   2.230
  678   2HB   SER  89          3HB       SER  89  99.518   8.538   3.346
  679    HG   SER  89           HG       SER  89 100.511   6.458   4.176
  680    H    LEU  90           HN       LEU  90  96.224   5.875   3.733
  681    HA   LEU  90           HA       LEU  90  94.621   7.894   5.000
  682   1HB   LEU  90          2HB       LEU  90  94.898   4.922   5.470
  683   2HB   LEU  90          3HB       LEU  90  93.722   5.929   6.327
  684    HG   LEU  90           HG       LEU  90  93.209   6.715   3.805
  685   1HD1  LEU  90          HD13      LEU  90  94.257   3.884   3.637
  686   2HD1  LEU  90          HD12      LEU  90  93.228   4.617   2.404
  687   3HD1  LEU  90          HD11      LEU  90  94.825   5.291   2.735
  688   1HD2  LEU  90          HD22      LEU  90  92.156   4.189   5.116
  689   2HD2  LEU  90          HD21      LEU  90  91.558   5.824   5.400
  690   3HD2  LEU  90          HD23      LEU  90  91.354   5.075   3.816
  691    H    VAL  91           HN       VAL  91  97.476   6.117   6.101
  692    HA   VAL  91           HA       VAL  91  98.210   5.962   8.464
  693    HB   VAL  91           HB       VAL  91  99.779   7.222   7.069
  694   1HG1  VAL  91          HG13      VAL  91  97.797   9.009   6.623
  695   2HG1  VAL  91          HG12      VAL  91  98.725   9.875   7.852
  696   3HG1  VAL  91          HG11      VAL  91  99.505   9.363   6.357
  697   1HG2  VAL  91          HG21      VAL  91 100.039   7.099   9.581
  698   2HG2  VAL  91          HG23      VAL  91 100.874   8.455   8.824
  699   3HG2  VAL  91          HG22      VAL  91  99.348   8.720   9.660
  700    H    GLN  92           HN       GLN  92  97.191   9.379   8.183
  701    HA   GLN  92           HA       GLN  92  95.848  10.693   9.566
  702   1HB   GLN  92          2HB       GLN  92  94.149   9.000   8.913
  703   2HB   GLN  92          3HB       GLN  92  94.608   8.024  10.310
  704   1HG   GLN  92          2HG       GLN  92  93.685   9.506  11.831
  705   2HG   GLN  92          3HG       GLN  92  93.876  10.892  10.756
  706   1HE2  GLN  92          HE22      GLN  92  90.398  10.569  10.160
  707   2HE2  GLN  92          HE21      GLN  92  91.619  11.502  10.883
  708    H    HIS  93           HN       HIS  93  94.945  10.620  12.058
  709    HA   HIS  93           HA       HIS  93  97.257  10.817  13.686
  710   1HB   HIS  93          2HB       HIS  93  94.323  10.537  14.401
  711   2HB   HIS  93          3HB       HIS  93  95.581  10.819  15.610
  712    HD1  HIS  93           HD1      HIS  93  96.798  13.110  15.572
  713    HD2  HIS  93           HD2      HIS  93  93.814  12.766  12.680
  714    HE1  HIS  93           HE1      HIS  93  96.458  15.430  14.615
  715    H    ASN  94           HN       ASN  94  95.034   8.105  13.167
  716    HA   ASN  94           HA       ASN  94  95.823   6.396  15.254
  717   1HB   ASN  94          2HB       ASN  94  95.204   5.726  12.352
  718   2HB   ASN  94          3HB       ASN  94  95.376   4.515  13.624
  719   1HD2  ASN  94          HD22      ASN  94  92.420   6.054  15.360
  720   2HD2  ASN  94          HD21      ASN  94  94.058   5.857  15.762
  721    H    ASP  95           HN       ASP  95  97.572   7.484  12.460
  722    HA   ASP  95           HA       ASP  95  99.786   7.186  11.787
  723   1HB   ASP  95          2HB       ASP  95 100.028   6.260  14.664
  724   2HB   ASP  95          3HB       ASP  95 101.401   6.492  13.582
  725    H    SER  96           HN       SER  96  97.692   4.831  11.955
  726    HA   SER  96           HA       SER  96  99.724   2.817  11.177
  727   1HB   SER  96          2HB       SER  96  98.284   1.018  12.187
  728   2HB   SER  96          3HB       SER  96  98.973   2.118  13.385
  729    HG   SER  96           HG       SER  96  96.340   1.931  12.398
  730    H    LEU  97           HN       LEU  97  97.495   4.702  10.026
  731    HA   LEU  97           HA       LEU  97  96.145   2.667   8.331
  732   1HB   LEU  97          2HB       LEU  97  95.748   5.679   8.466
  733   2HB   LEU  97          3HB       LEU  97  94.757   4.537   7.568
  734    HG   LEU  97           HG       LEU  97  95.141   4.473  10.563
  735   1HD1  LEU  97          HD12      LEU  97  93.687   6.353   9.256
  736   2HD1  LEU  97          HD11      LEU  97  92.493   5.061   9.358
  737   3HD1  LEU  97          HD13      LEU  97  93.229   5.698  10.826
  738   1HD2  LEU  97          HD22      LEU  97  93.987   2.655   8.583
  739   2HD2  LEU  97          HD21      LEU  97  94.402   2.371  10.273
  740   3HD2  LEU  97          HD23      LEU  97  92.848   3.086   9.856
  741    H    ASN  98           HN       ASN  98  98.929   3.069   8.260
  742    HA   ASN  98           HA       ASN  98  99.668   4.810   6.065
  743   1HB   ASN  98          2HB       ASN  98 101.079   2.567   7.536
  744   2HB   ASN  98          3HB       ASN  98 101.845   3.498   6.249
  745   1HD2  ASN  98          HD22      ASN  98 102.630   5.098   9.557
  746   2HD2  ASN  98          HD21      ASN  98 102.883   3.551   8.904
  747    H    VAL  99           HN       VAL  99  97.852   3.823   4.740
  748    HA   VAL  99           HA       VAL  99  99.003   1.893   2.863
  749    HB   VAL  99           HB       VAL  99  97.999   0.450   4.621
  750   1HG1  VAL  99          HG13      VAL  99  95.918   2.445   4.429
  751   2HG1  VAL  99          HG12      VAL  99  95.239   0.854   4.099
  752   3HG1  VAL  99          HG11      VAL  99  96.090   1.152   5.609
  753   1HG2  VAL  99          HG21      VAL  99  97.815   0.151   1.955
  754   2HG2  VAL  99          HG23      VAL  99  97.116  -1.013   3.079
  755   3HG2  VAL  99          HG22      VAL  99  96.097   0.219   2.339
  756    H    THR 100           HN       THR 100  97.637   1.728   0.929
  757    HA   THR 100           HA       THR 100  95.662   3.973   0.743
  758    HB   THR 100           HB       THR 100  96.383   4.381  -1.518
  759    HG1  THR 100           HG1      THR 100  96.781   2.177  -2.035
  760   1HG2  THR 100          HG22      THR 100  97.971   4.829   0.670
  761   2HG2  THR 100          HG21      THR 100  99.084   4.022  -0.434
  762   3HG2  THR 100          HG23      THR 100  98.260   5.498  -0.938
  763    H    LEU 101           HN       LEU 101  93.776   3.487  -0.549
  764    HA   LEU 101           HA       LEU 101  93.093   0.651  -0.571
  765   1HB   LEU 101          2HB       LEU 101  91.640   3.001  -1.839
  766   2HB   LEU 101          3HB       LEU 101  90.962   1.403  -1.543
  767    HG   LEU 101           HG       LEU 101  92.057   3.166   0.664
  768   1HD1  LEU 101          HD13      LEU 101  89.713   3.583  -0.851
  769   2HD1  LEU 101          HD12      LEU 101  89.177   2.837   0.655
  770   3HD1  LEU 101          HD11      LEU 101  90.123   4.325   0.698
  771   1HD2  LEU 101          HD23      LEU 101  91.339   0.461   0.576
  772   2HD2  LEU 101          HD22      LEU 101  91.612   1.425   2.015
  773   3HD2  LEU 101          HD21      LEU 101  89.985   1.262   1.357
  774    H    ALA 102           HN       ALA 102  95.134   0.260  -1.950
  775    HA   ALA 102           HA       ALA 102  94.720   0.900  -4.811
  776   1HB   ALA 102           HB2      ALA 102  96.993   0.763  -3.175
  777   2HB   ALA 102           HB1      ALA 102  97.124  -0.616  -4.264
  778   3HB   ALA 102           HB3      ALA 102  96.959   1.011  -4.915
  779    H    TYR 103           HN       TYR 103  94.578  -1.929  -2.690
  780    HA   TYR 103           HA       TYR 103  94.360  -3.580  -5.163
  781   1HB   TYR 103          2HB       TYR 103  96.197  -4.229  -3.659
  782   2HB   TYR 103          3HB       TYR 103  95.036  -4.464  -2.355
  783    HD1  TYR 103           HD2      TYR 103  96.082  -5.707  -5.707
  784    HD2  TYR 103           HD1      TYR 103  93.683  -6.424  -2.219
  785    HE1  TYR 103           HE2      TYR 103  95.642  -8.026  -6.482
  786    HE2  TYR 103           HE1      TYR 103  93.244  -8.732  -2.989
  787    HH   TYR 103           HH       TYR 103  94.230 -10.403  -4.448
  788    HA   PRO 104           HA       PRO 104  90.039  -4.103  -4.024
  789   1HB   PRO 104          2HB       PRO 104  89.408  -5.850  -6.001
  790   2HB   PRO 104          3HB       PRO 104  89.677  -4.121  -6.308
  791   1HG   PRO 104          2HG       PRO 104  91.492  -6.441  -6.749
  792   2HG   PRO 104          3HG       PRO 104  91.210  -5.019  -7.766
  793   1HD   PRO 104          2HD       PRO 104  93.377  -5.280  -6.111
  794   2HD   PRO 104          3HD       PRO 104  92.686  -3.713  -6.581
  795    H    VAL 105           HN       VAL 105  88.782  -5.713  -2.950
  796    HA   VAL 105           HA       VAL 105  90.268  -7.978  -1.855
  797    HB   VAL 105           HB       VAL 105  88.601  -6.716  -0.522
  798   1HG1  VAL 105          HG13      VAL 105  86.965  -7.333  -2.840
  799   2HG1  VAL 105          HG12      VAL 105  86.197  -7.931  -1.369
  800   3HG1  VAL 105          HG11      VAL 105  86.625  -6.227  -1.511
  801   1HG2  VAL 105          HG23      VAL 105  89.078  -9.466  -0.634
  802   2HG2  VAL 105          HG22      VAL 105  88.332  -8.601   0.708
  803   3HG2  VAL 105          HG21      VAL 105  87.322  -9.345  -0.532
  804    H    TYR 106           HN       TYR 106  88.228  -7.459  -4.585
  805    HA   TYR 106           HA       TYR 106  88.174 -10.404  -5.031
  806   1HB   TYR 106          2HB       TYR 106  85.888  -8.467  -5.274
  807   2HB   TYR 106          3HB       TYR 106  85.931  -9.928  -6.262
  808    HD1  TYR 106           HD1      TYR 106  86.475 -12.150  -4.998
  809    HD2  TYR 106           HD2      TYR 106  85.010  -8.585  -3.105
  810    HE1  TYR 106           HE1      TYR 106  85.719 -13.492  -3.063
  811    HE2  TYR 106           HE2      TYR 106  84.255  -9.933  -1.162
  812    HH   TYR 106           HH       TYR 106  85.283 -13.109  -0.648
  813    H    ALA 107           HN       ALA 107  90.209  -9.152  -6.152
  814    HA   ALA 107           HA       ALA 107  89.692  -7.864  -8.656
  815   1HB   ALA 107           HB2      ALA 107  91.963  -8.520  -7.145
  816   2HB   ALA 107           HB1      ALA 107  92.155  -9.420  -8.649
  817   3HB   ALA 107           HB3      ALA 107  91.946  -7.668  -8.694
  818    H    GLN 108           HN       GLN 108  89.196  -8.712 -10.634
  819    HA   GLN 108           HA       GLN 108  88.421 -11.476 -10.857
  820   1HB   GLN 108          2HB       GLN 108  87.413  -9.676 -12.229
  821   2HB   GLN 108          3HB       GLN 108  88.956  -9.454 -13.050
  822   1HG   GLN 108          2HG       GLN 108  88.872 -11.808 -13.823
  823   2HG   GLN 108          3HG       GLN 108  87.304 -11.998 -13.032
  824   1HE2  GLN 108          HE22      GLN 108  87.477  -9.517 -16.325
  825   2HE2  GLN 108          HE21      GLN 108  88.847  -9.656 -15.332
  826    H    GLN 109           HN       GLN 109  91.257  -9.637 -12.015
  827    HA   GLN 109           HA       GLN 109  93.310 -10.395 -12.878
  828   1HB   GLN 109          2HB       GLN 109  93.267 -11.308 -10.484
  829   2HB   GLN 109          3HB       GLN 109  92.800 -12.853 -11.194
  830   1HG   GLN 109          2HG       GLN 109  94.843 -12.902 -12.533
  831   2HG   GLN 109          3HG       GLN 109  95.296 -11.301 -11.949
  832   1HE2  GLN 109          HE22      GLN 109  95.156 -13.863  -8.795
  833   2HE2  GLN 109          HE21      GLN 109  93.759 -13.483  -9.681
  834    H    ARG 110           HN       ARG 110  91.540 -10.763 -14.805
  835    HA   ARG 110           HA       ARG 110  90.913 -13.433 -15.588
  836   1HB   ARG 110          2HB       ARG 110  90.459 -12.507 -17.776
  837   2HB   ARG 110          3HB       ARG 110  89.930 -11.333 -16.569
  838   1HG   ARG 110          2HG       ARG 110  92.078 -10.129 -16.813
  839   2HG   ARG 110          3HG       ARG 110  92.571 -11.278 -18.052
  840   1HD   ARG 110          2HD       ARG 110  90.044 -10.440 -18.883
  841   2HD   ARG 110          3HD       ARG 110  90.805  -8.965 -18.279
  842    HE   ARG 110           HE       ARG 110  91.361 -10.018 -20.780
  843   1HH1  ARG 110          HH21      ARG 110  93.148  -9.475 -17.877
  844   2HH1  ARG 110          HH22      ARG 110  94.672  -9.347 -18.686
  845   1HH2  ARG 110          HH11      ARG 110  93.331  -9.847 -21.845
  846   2HH2  ARG 110          HH12      ARG 110  94.779  -9.572 -20.934
  847    H    ARG 111           HN       ARG 111  93.805 -11.469 -16.050
  848    HA   ARG 111           HA       ARG 111  95.280 -13.896 -16.791
  849   1HB   ARG 111          2HB       ARG 111  95.073 -11.521 -18.672
  850   2HB   ARG 111          3HB       ARG 111  96.267 -12.810 -18.828
  851   1HG   ARG 111          2HG       ARG 111  94.379 -14.468 -18.922
  852   2HG   ARG 111          3HG       ARG 111  93.252 -13.113 -18.971
  853   1HD   ARG 111          2HD       ARG 111  95.115 -12.476 -20.932
  854   2HD   ARG 111          3HD       ARG 111  94.925 -14.220 -21.103
  855    HE   ARG 111           HE       ARG 111  93.104 -12.397 -22.143
  856   1HH1  ARG 111          HH21      ARG 111  93.004 -14.857 -19.725
  857   2HH1  ARG 111          HH22      ARG 111  91.309 -15.160 -19.923
  858   1HH2  ARG 111          HH11      ARG 111  90.894 -12.806 -22.422
  859   2HH2  ARG 111          HH12      ARG 111  90.127 -14.022 -21.460
   
  No H/Q in entry =         859
  Start of MODEL    4
    1   1H    GLU   1           HT1      GLU   1  94.001  -5.390 -17.278
    2   2H    GLU   1           HT3      GLU   1  95.055  -6.301 -18.247
    3   3H    GLU   1           HT2      GLU   1  95.499  -5.893 -16.661
    4    HA   GLU   1           HA       GLU   1  96.625  -4.230 -17.609
    5   1HB   GLU   1          2HB       GLU   1  96.195  -3.463 -19.900
    6   2HB   GLU   1          3HB       GLU   1  96.230  -5.226 -19.859
    7   1HG   GLU   1          2HG       GLU   1  93.721  -5.196 -19.636
    8   2HG   GLU   1          3HG       GLU   1  93.774  -3.455 -19.915
    9    H    ASP   2           HN       ASP   2  93.087  -4.092 -17.842
   10    HA   ASP   2           HA       ASP   2  92.952  -1.204 -17.596
   11   1HB   ASP   2          2HB       ASP   2  90.551  -1.557 -17.237
   12   2HB   ASP   2          3HB       ASP   2  91.113  -2.539 -18.592
   13    H    LEU   3           HN       LEU   3  91.561  -0.326 -15.632
   14    HA   LEU   3           HA       LEU   3  93.024  -1.155 -13.204
   15   1HB   LEU   3          2HB       LEU   3  91.189   1.194 -13.754
   16   2HB   LEU   3          3HB       LEU   3  92.010   0.910 -12.219
   17    HG   LEU   3           HG       LEU   3  93.414   1.220 -14.888
   18   1HD1  LEU   3          HD11      LEU   3  92.397   3.174 -12.985
   19   2HD1  LEU   3          HD13      LEU   3  94.149   3.292 -13.151
   20   3HD1  LEU   3          HD12      LEU   3  93.118   3.436 -14.572
   21   1HD2  LEU   3          HD22      LEU   3  94.262   0.623 -12.081
   22   2HD2  LEU   3          HD21      LEU   3  94.901  -0.002 -13.601
   23   3HD2  LEU   3          HD23      LEU   3  95.320   1.627 -13.073
   24    HA   PRO   4           HA       PRO   4  89.443  -3.515 -11.915
   25   1HB   PRO   4          2HB       PRO   4  90.236  -3.927  -9.308
   26   2HB   PRO   4          3HB       PRO   4  90.809  -4.879 -10.687
   27   1HG   PRO   4          2HG       PRO   4  92.157  -2.703  -9.205
   28   2HG   PRO   4          3HG       PRO   4  92.839  -4.137  -9.990
   29   1HD   PRO   4          2HD       PRO   4  92.947  -1.595 -11.062
   30   2HD   PRO   4          3HD       PRO   4  93.039  -3.087 -12.025
   31    H    HIS   5           HN       HIS   5  90.264  -0.422 -10.902
   32    HA   HIS   5           HA       HIS   5  88.298  -0.186  -8.745
   33   1HB   HIS   5          2HB       HIS   5  89.861   1.918 -10.271
   34   2HB   HIS   5          3HB       HIS   5  88.836   2.247  -8.874
   35    HD1  HIS   5           HD1      HIS   5  89.513   0.264  -6.837
   36    HD2  HIS   5           HD2      HIS   5  92.466   1.755  -9.375
   37    HE1  HIS   5           HE1      HIS   5  91.724  -0.146  -5.676
   38    H    HIS   6           HN       HIS   6  88.059  -0.351 -12.087
   39    HA   HIS   6           HA       HIS   6  85.953   1.624 -12.480
   40   1HB   HIS   6          2HB       HIS   6  86.764  -0.762 -14.164
   41   2HB   HIS   6          3HB       HIS   6  85.640   0.497 -14.667
   42    HD1  HIS   6           HD1      HIS   6  86.868   3.070 -14.162
   43    HD2  HIS   6           HD2      HIS   6  89.247  -0.194 -15.195
   44    HE1  HIS   6           HE1      HIS   6  89.035   4.019 -15.071
   45    H    ASP   7           HN       ASP   7  86.070  -1.794 -11.635
   46    HA   ASP   7           HA       ASP   7  83.105  -1.893 -11.730
   47   1HB   ASP   7          2HB       ASP   7  85.198  -4.074 -11.644
   48   2HB   ASP   7          3HB       ASP   7  83.470  -4.386 -11.477
   49    H    GLU   8           HN       GLU   8  81.948  -2.023  -9.870
   50    HA   GLU   8           HA       GLU   8  83.190  -1.529  -7.328
   51   1HB   GLU   8          2HB       GLU   8  80.403  -2.434  -8.075
   52   2HB   GLU   8          3HB       GLU   8  80.882  -2.017  -6.430
   53   1HG   GLU   8          2HG       GLU   8  81.359   0.248  -7.050
   54   2HG   GLU   8          3HG       GLU   8  81.227  -0.130  -8.771
   55    H    LYS   9           HN       LYS   9  82.191  -4.453  -8.960
   56    HA   LYS   9           HA       LYS   9  82.015  -6.237  -6.784
   57   1HB   LYS   9          2HB       LYS   9  82.315  -7.979  -8.389
   58   2HB   LYS   9          3HB       LYS   9  81.537  -6.657  -9.272
   59   1HG   LYS   9          2HG       LYS   9  83.915  -5.854  -9.822
   60   2HG   LYS   9          3HG       LYS   9  84.450  -7.442  -9.277
   61   1HD   LYS   9          2HD       LYS   9  83.307  -8.555 -11.003
   62   2HD   LYS   9          3HD       LYS   9  82.274  -7.163 -11.341
   63   1HE   LYS   9          2HE       LYS   9  83.800  -6.246 -12.736
   64   2HE   LYS   9          3HE       LYS   9  85.115  -6.519 -11.590
   65   1HZ   LYS   9           HZ3      LYS   9  84.739  -8.995 -12.343
   66   2HZ   LYS   9           HZ2      LYS   9  84.133  -8.247 -13.745
   67   3HZ   LYS   9           HZ1      LYS   9  85.725  -7.946 -13.236
   68    H    THR  10           HN       THR  10  84.910  -5.016  -8.444
   69    HA   THR  10           HA       THR  10  86.705  -6.930  -7.300
   70    HB   THR  10           HB       THR  10  88.481  -5.280  -7.893
   71    HG1  THR  10           HG1      THR  10  86.265  -3.730  -8.734
   72   1HG2  THR  10          HG22      THR  10  87.369  -6.917  -9.517
   73   2HG2  THR  10          HG21      THR  10  86.442  -5.539 -10.111
   74   3HG2  THR  10          HG23      THR  10  88.201  -5.544 -10.243
   75    H    TRP  11           HN       TRP  11  85.393  -3.917  -6.023
   76    HA   TRP  11           HA       TRP  11  86.966  -4.441  -3.528
   77   1HB   TRP  11          2HB       TRP  11  86.131  -1.814  -3.336
   78   2HB   TRP  11          3HB       TRP  11  87.739  -2.336  -3.845
   79    HD1  TRP  11           HD1      TRP  11  87.956  -2.862  -6.567
   80    HE1  TRP  11           HE1      TRP  11  86.945  -1.541  -8.537
   81    HE3  TRP  11           HE3      TRP  11  84.288  -0.308  -4.110
   82    HZ2  TRP  11           HZ2      TRP  11  84.871   0.383  -8.996
   83    HZ3  TRP  11           HZ3      TRP  11  82.814   1.261  -5.325
   84    HH2  TRP  11           HH2      TRP  11  83.099   1.614  -7.768
   85    H    ASN  12           HN       ASN  12  83.841  -3.711  -4.934
   86    HA   ASN  12           HA       ASN  12  82.544  -3.436  -2.316
   87   1HB   ASN  12          2HB       ASN  12  81.763  -2.228  -4.397
   88   2HB   ASN  12          3HB       ASN  12  81.218  -3.786  -5.016
   89   1HD2  ASN  12          HD22      ASN  12  78.263  -2.396  -3.316
   90   2HD2  ASN  12          HD21      ASN  12  79.154  -2.102  -4.730
   91    H    VAL  13           HN       VAL  13  81.661  -5.102  -1.168
   92    HA   VAL  13           HA       VAL  13  81.784  -7.813  -2.377
   93    HB   VAL  13           HB       VAL  13  81.172  -6.983   0.460
   94   1HG1  VAL  13          HG13      VAL  13  81.653  -9.617  -0.903
   95   2HG1  VAL  13          HG12      VAL  13  81.995  -9.417   0.817
   96   3HG1  VAL  13          HG11      VAL  13  80.360  -9.164   0.208
   97   1HG2  VAL  13          HG21      VAL  13  83.676  -7.075  -0.988
   98   2HG2  VAL  13          HG23      VAL  13  83.348  -6.516   0.654
   99   3HG2  VAL  13          HG22      VAL  13  83.680  -8.221   0.353
  100    H    GLY  14           HN       GLY  14  79.535  -5.327  -1.725
  101   1HA   GLY  14          2HA       GLY  14  77.231  -5.328  -2.305
  102   2HA   GLY  14          3HA       GLY  14  77.312  -7.078  -2.522
  103    H    SER  15           HN       SER  15  75.308  -7.204  -1.229
  104    HA   SER  15           HA       SER  15  75.136  -6.246   1.465
  105   1HB   SER  15          2HB       SER  15  73.248  -7.756   1.695
  106   2HB   SER  15          3HB       SER  15  73.193  -7.029   0.092
  107    HG   SER  15           HG       SER  15  74.576  -9.442   0.491
  108    H    SER  16           HN       SER  16  75.964  -7.064   3.345
  109    HA   SER  16           HA       SER  16  76.514  -9.829   3.820
  110   1HB   SER  16          2HB       SER  16  78.347  -9.414   2.175
  111   2HB   SER  16          3HB       SER  16  78.971  -8.155   3.232
  112    HG   SER  16           HG       SER  16  79.859  -9.651   4.397
  113    H    ASN  17           HN       ASN  17  77.755 -10.105   5.905
  114    HA   ASN  17           HA       ASN  17  77.077  -7.867   7.730
  115   1HB   ASN  17          2HB       ASN  17  77.914 -10.736   8.269
  116   2HB   ASN  17          3HB       ASN  17  77.504  -9.561   9.519
  117   1HD2  ASN  17          HD22      ASN  17  74.477 -11.630   8.467
  118   2HD2  ASN  17          HD21      ASN  17  76.061 -12.086   8.873
  119    H    ARG  18           HN       ARG  18  78.658  -6.926   9.116
  120    HA   ARG  18           HA       ARG  18  81.288  -6.617   8.064
  121   1HB   ARG  18          2HB       ARG  18  79.979  -5.963  10.682
  122   2HB   ARG  18          3HB       ARG  18  81.725  -5.778  10.517
  123   1HG   ARG  18          2HG       ARG  18  79.868  -4.639   8.429
  124   2HG   ARG  18          3HG       ARG  18  80.184  -3.745   9.914
  125   1HD   ARG  18          2HD       ARG  18  82.724  -4.554   9.084
  126   2HD   ARG  18          3HD       ARG  18  81.915  -4.123   7.582
  127    HE   ARG  18           HE       ARG  18  82.933  -2.260   9.429
  128   1HH1  ARG  18          HH21      ARG  18  79.947  -3.032   7.900
  129   2HH1  ARG  18          HH22      ARG  18  79.274  -1.450   8.112
  130   1HH2  ARG  18          HH11      ARG  18  82.071  -0.192   9.733
  131   2HH2  ARG  18          HH12      ARG  18  80.478   0.159   9.151
  132    H    ASN  19           HN       ASN  19  80.025  -8.872  10.518
  133    HA   ASN  19           HA       ASN  19  82.523  -9.809  11.497
  134   1HB   ASN  19          2HB       ASN  19  80.218 -10.455  12.356
  135   2HB   ASN  19          3HB       ASN  19  80.096 -11.550  10.978
  136   1HD2  ASN  19          HD22      ASN  19  82.978 -12.391  13.801
  137   2HD2  ASN  19          HD21      ASN  19  82.577 -10.771  13.492
  138    H    LYS  20           HN       LYS  20  80.590 -10.882   8.697
  139    HA   LYS  20           HA       LYS  20  82.393 -12.910   7.809
  140   1HB   LYS  20          2HB       LYS  20  80.073 -12.616   6.938
  141   2HB   LYS  20          3HB       LYS  20  80.585 -11.140   6.122
  142   1HG   LYS  20          2HG       LYS  20  82.227 -12.436   4.809
  143   2HG   LYS  20          3HG       LYS  20  81.721 -13.911   5.635
  144   1HD   LYS  20          2HD       LYS  20  79.554 -13.847   4.658
  145   2HD   LYS  20          3HD       LYS  20  79.755 -12.175   4.137
  146   1HE   LYS  20          2HE       LYS  20  81.538 -12.877   2.579
  147   2HE   LYS  20          3HE       LYS  20  81.315 -14.552   3.084
  148   1HZ   LYS  20           HZ3      LYS  20  78.952 -14.315   2.373
  149   2HZ   LYS  20           HZ2      LYS  20  79.356 -12.810   1.698
  150   3HZ   LYS  20           HZ1      LYS  20  80.077 -14.229   1.106
  151    H    ALA  21           HN       ALA  21  82.300  -9.411   7.363
  152    HA   ALA  21           HA       ALA  21  84.323  -9.190   5.364
  153   1HB   ALA  21           HB3      ALA  21  82.845  -7.310   6.234
  154   2HB   ALA  21           HB2      ALA  21  83.876  -7.263   7.663
  155   3HB   ALA  21           HB1      ALA  21  84.553  -6.893   6.079
  156    H    GLU  22           HN       GLU  22  84.479  -9.463   8.892
  157    HA   GLU  22           HA       GLU  22  87.224  -8.975   9.294
  158   1HB   GLU  22          2HB       GLU  22  85.390 -10.963  10.670
  159   2HB   GLU  22          3HB       GLU  22  87.005 -10.553  11.246
  160   1HG   GLU  22          2HG       GLU  22  86.363  -8.191  11.445
  161   2HG   GLU  22          3HG       GLU  22  84.756  -8.561  10.821
  162    H    ASN  23           HN       ASN  23  85.612 -12.054   8.463
  163    HA   ASN  23           HA       ASN  23  88.017 -13.592   8.278
  164   1HB   ASN  23          2HB       ASN  23  86.707 -15.248   7.171
  165   2HB   ASN  23          3HB       ASN  23  85.599 -14.460   8.291
  166   1HD2  ASN  23          HD22      ASN  23  83.389 -13.682   5.678
  167   2HD2  ASN  23          HD21      ASN  23  83.611 -14.136   7.299
  168    H    LEU  24           HN       LEU  24  86.200 -11.636   5.936
  169    HA   LEU  24           HA       LEU  24  87.900 -12.203   3.681
  170   1HB   LEU  24          2HB       LEU  24  86.130  -9.819   4.323
  171   2HB   LEU  24          3HB       LEU  24  86.979 -10.008   2.792
  172    HG   LEU  24           HG       LEU  24  84.997 -12.005   3.929
  173   1HD1  LEU  24          HD11      LEU  24  84.721  -9.604   2.227
  174   2HD1  LEU  24          HD13      LEU  24  83.932 -11.052   1.598
  175   3HD1  LEU  24          HD12      LEU  24  83.509 -10.441   3.197
  176   1HD2  LEU  24          HD21      LEU  24  86.896 -12.002   1.662
  177   2HD2  LEU  24          HD23      LEU  24  86.129 -13.363   2.483
  178   3HD2  LEU  24          HD22      LEU  24  85.253 -12.479   1.234
  179    H    LEU  25           HN       LEU  25  88.090  -9.996   6.410
  180    HA   LEU  25           HA       LEU  25  90.441  -8.600   5.255
  181   1HB   LEU  25          2HB       LEU  25  88.987  -8.273   7.898
  182   2HB   LEU  25          3HB       LEU  25  90.322  -7.260   7.352
  183    HG   LEU  25           HG       LEU  25  87.896  -7.614   5.611
  184   1HD1  LEU  25          HD13      LEU  25  87.071  -6.948   7.845
  185   2HD1  LEU  25          HD12      LEU  25  88.218  -5.610   7.866
  186   3HD1  LEU  25          HD11      LEU  25  86.905  -5.627   6.689
  187   1HD2  LEU  25          HD23      LEU  25  89.918  -5.384   6.039
  188   2HD2  LEU  25          HD22      LEU  25  89.879  -6.501   4.672
  189   3HD2  LEU  25          HD21      LEU  25  88.579  -5.329   4.890
  190    H    ARG  26           HN       ARG  26  89.793 -11.352   7.148
  191    HA   ARG  26           HA       ARG  26  92.177 -11.173   8.800
  192   1HB   ARG  26          2HB       ARG  26  91.293 -12.927   9.946
  193   2HB   ARG  26          3HB       ARG  26  89.836 -12.593   9.007
  194   1HG   ARG  26          2HG       ARG  26  90.599 -14.203   7.281
  195   2HG   ARG  26          3HG       ARG  26  92.022 -14.565   8.262
  196   1HD   ARG  26          2HD       ARG  26  89.879 -14.826  10.036
  197   2HD   ARG  26          3HD       ARG  26  89.291 -15.550   8.541
  198    HE   ARG  26           HE       ARG  26  91.846 -16.609   8.872
  199   1HH1  ARG  26          HH21      ARG  26  88.929 -16.400  10.695
  200   2HH1  ARG  26          HH22      ARG  26  89.214 -17.867  11.574
  201   1HH2  ARG  26          HH11      ARG  26  92.240 -18.526  10.006
  202   2HH2  ARG  26          HH12      ARG  26  91.094 -19.073  11.184
  203    H    GLY  27           HN       GLY  27  91.210 -13.114   6.059
  204   1HA   GLY  27          2HA       GLY  27  93.972 -14.087   5.711
  205   2HA   GLY  27          3HA       GLY  27  92.578 -14.561   4.734
  206    H    LYS  28           HN       LYS  28  93.173 -11.177   5.394
  207    HA   LYS  28           HA       LYS  28  93.954 -10.862   2.517
  208   1HB   LYS  28          2HB       LYS  28  91.826  -9.698   3.989
  209   2HB   LYS  28          3HB       LYS  28  92.981  -8.410   3.653
  210   1HG   LYS  28          2HG       LYS  28  91.356  -8.623   1.816
  211   2HG   LYS  28          3HG       LYS  28  92.982  -9.029   1.266
  212   1HD   LYS  28          2HD       LYS  28  92.466 -11.222   0.930
  213   2HD   LYS  28          3HD       LYS  28  91.407 -11.294   2.340
  214   1HE   LYS  28          2HE       LYS  28  89.653 -10.090   1.113
  215   2HE   LYS  28          3HE       LYS  28  90.715  -9.945  -0.289
  216   1HZ   LYS  28           HZ1      LYS  28  90.553 -12.639   0.582
  217   2HZ   LYS  28           HZ3      LYS  28  89.000 -12.023   0.287
  218   3HZ   LYS  28           HZ2      LYS  28  90.178 -11.976  -0.938
  219    H    ARG  29           HN       ARG  29  95.921 -10.056   2.160
  220    HA   ARG  29           HA       ARG  29  97.624  -9.178   4.338
  221   1HB   ARG  29          2HB       ARG  29  98.433 -10.337   2.245
  222   2HB   ARG  29          3HB       ARG  29  98.089  -8.849   1.363
  223   1HG   ARG  29          2HG       ARG  29  99.647  -7.608   2.784
  224   2HG   ARG  29          3HG       ARG  29  99.957  -9.057   3.741
  225   1HD   ARG  29          2HD       ARG  29 100.337  -9.594   0.918
  226   2HD   ARG  29          3HD       ARG  29 101.335  -8.241   1.433
  227    HE   ARG  29           HE       ARG  29 101.663 -10.208   3.405
  228   1HH1  ARG  29          HH21      ARG  29 102.060  -9.853   0.007
  229   2HH1  ARG  29          HH22      ARG  29 103.332 -11.023  -0.106
  230   1HH2  ARG  29          HH11      ARG  29 103.324 -11.747   3.287
  231   2HH2  ARG  29          HH12      ARG  29 104.051 -12.094   1.755
  232    H    ASP  30           HN       ASP  30  98.624  -6.999   4.421
  233    HA   ASP  30           HA       ASP  30  96.721  -4.902   4.394
  234   1HB   ASP  30          2HB       ASP  30  98.613  -3.388   4.720
  235   2HB   ASP  30          3HB       ASP  30  98.821  -4.835   5.703
  236    H    GLY  31           HN       GLY  31  96.447  -3.109   2.978
  237   1HA   GLY  31          2HA       GLY  31  96.906  -1.908   0.913
  238   2HA   GLY  31          3HA       GLY  31  97.689  -3.357   0.283
  239    H    THR  32           HN       THR  32  95.281  -4.887   1.509
  240    HA   THR  32           HA       THR  32  93.543  -4.510  -0.878
  241    HB   THR  32           HB       THR  32  93.541  -6.760   1.149
  242    HG1  THR  32           HG1      THR  32  95.391  -7.040   0.094
  243   1HG2  THR  32          HG23      THR  32  92.038  -6.131  -1.362
  244   2HG2  THR  32          HG22      THR  32  92.412  -7.818  -1.011
  245   3HG2  THR  32          HG21      THR  32  91.458  -6.869   0.130
  246    H    PHE  33           HN       PHE  33  91.566  -3.542  -0.596
  247    HA   PHE  33           HA       PHE  33  90.430  -3.631   2.158
  248   1HB   PHE  33          2HB       PHE  33  90.057  -1.374   2.257
  249   2HB   PHE  33          3HB       PHE  33  91.485  -1.344   1.232
  250    HD1  PHE  33           HD1      PHE  33  90.840  -1.792  -1.395
  251    HD2  PHE  33           HD2      PHE  33  88.278  -0.085   1.598
  252    HE1  PHE  33           HE1      PHE  33  89.475  -0.701  -3.152
  253    HE2  PHE  33           HE2      PHE  33  86.935   1.001  -0.190
  254    HZ   PHE  33           HZ       PHE  33  87.532   0.687  -2.542
  255    H    LEU  34           HN       LEU  34  88.054  -3.311   2.160
  256    HA   LEU  34           HA       LEU  34  86.850  -4.057  -0.472
  257   1HB   LEU  34          2HB       LEU  34  85.254  -5.517   0.836
  258   2HB   LEU  34          3HB       LEU  34  86.910  -6.098   0.809
  259    HG   LEU  34           HG       LEU  34  86.949  -4.492   3.020
  260   1HD1  LEU  34          HD13      LEU  34  84.470  -4.185   2.743
  261   2HD1  LEU  34          HD12      LEU  34  84.278  -5.919   2.995
  262   3HD1  LEU  34          HD11      LEU  34  84.928  -4.906   4.284
  263   1HD2  LEU  34          HD23      LEU  34  86.502  -7.423   2.540
  264   2HD2  LEU  34          HD22      LEU  34  87.900  -6.612   3.243
  265   3HD2  LEU  34          HD21      LEU  34  86.428  -6.816   4.193
  266    H    VAL  35           HN       VAL  35  84.597  -3.387  -0.723
  267    HA   VAL  35           HA       VAL  35  83.878  -1.164   1.136
  268    HB   VAL  35           HB       VAL  35  83.343  -1.446  -1.838
  269   1HG1  VAL  35          HG12      VAL  35  82.039   0.156   0.277
  270   2HG1  VAL  35          HG11      VAL  35  82.588   1.095  -1.111
  271   3HG1  VAL  35          HG13      VAL  35  81.465  -0.246  -1.343
  272   1HG2  VAL  35          HG21      VAL  35  85.626  -0.648  -0.832
  273   2HG2  VAL  35          HG23      VAL  35  84.884   0.316  -2.105
  274   3HG2  VAL  35          HG22      VAL  35  84.740   0.822  -0.424
  275    H    ARG  36           HN       ARG  36  81.926  -1.313   2.155
  276    HA   ARG  36           HA       ARG  36  79.807  -3.042   0.998
  277   1HB   ARG  36          2HB       ARG  36  80.920  -3.379   3.796
  278   2HB   ARG  36          3HB       ARG  36  79.449  -4.146   3.201
  279   1HG   ARG  36          2HG       ARG  36  81.172  -4.856   1.251
  280   2HG   ARG  36          3HG       ARG  36  82.273  -4.790   2.623
  281   1HD   ARG  36          2HD       ARG  36  79.958  -6.595   2.135
  282   2HD   ARG  36          3HD       ARG  36  81.510  -6.963   2.880
  283    HE   ARG  36           HE       ARG  36  79.146  -6.437   4.303
  284   1HH1  ARG  36          HH21      ARG  36  82.371  -5.220   4.152
  285   2HH1  ARG  36          HH22      ARG  36  82.298  -4.482   5.713
  286   1HH2  ARG  36          HH11      ARG  36  79.053  -5.496   6.343
  287   2HH2  ARG  36          HH12      ARG  36  80.429  -4.633   6.941
  288    H    GLU  37           HN       GLU  37  78.567  -2.881   3.789
  289    HA   GLU  37           HA       GLU  37  77.628  -0.080   3.495
  290   1HB   GLU  37          2HB       GLU  37  76.292  -2.411   4.905
  291   2HB   GLU  37          3HB       GLU  37  75.584  -0.824   4.613
  292   1HG   GLU  37          2HG       GLU  37  74.694  -2.072   2.854
  293   2HG   GLU  37          3HG       GLU  37  76.113  -1.348   2.099
  294    H    SER  38           HN       SER  38  76.835   0.766   5.798
  295    HA   SER  38           HA       SER  38  79.163   0.603   7.578
  296   1HB   SER  38          2HB       SER  38  76.438   1.878   8.028
  297   2HB   SER  38          3HB       SER  38  77.853   2.102   9.051
  298    HG   SER  38           HG       SER  38  78.116   3.739   7.722
  299    H    SER  39           HN       SER  39  77.183  -1.580   6.787
  300    HA   SER  39           HA       SER  39  76.942  -3.666   7.936
  301   1HB   SER  39          2HB       SER  39  76.370  -2.103  10.466
  302   2HB   SER  39          3HB       SER  39  76.792  -3.802  10.307
  303    HG   SER  39           HG       SER  39  78.795  -2.797   9.255
  304    H    LYS  40           HN       LYS  40  75.014  -0.791   8.743
  305    HA   LYS  40           HA       LYS  40  72.523  -2.378   8.641
  306   1HB   LYS  40          2HB       LYS  40  72.993   0.590   9.069
  307   2HB   LYS  40          3HB       LYS  40  71.431  -0.219   9.194
  308   1HG   LYS  40          2HG       LYS  40  72.386  -1.684  10.990
  309   2HG   LYS  40          3HG       LYS  40  73.872  -0.733  10.920
  310   1HD   LYS  40          2HD       LYS  40  72.628   1.299  11.495
  311   2HD   LYS  40          3HD       LYS  40  71.120   0.387  11.514
  312   1HE   LYS  40          2HE       LYS  40  71.854   0.605  13.799
  313   2HE   LYS  40          3HE       LYS  40  72.122  -1.070  13.319
  314   1HZ   LYS  40           HZ1      LYS  40  74.420   0.198  12.602
  315   2HZ   LYS  40           HZ3      LYS  40  74.018   0.936  14.072
  316   3HZ   LYS  40           HZ2      LYS  40  74.199  -0.752  13.993
  317    H    GLN  41           HN       GLN  41  70.903  -2.018   7.002
  318    HA   GLN  41           HA       GLN  41  71.953  -1.460   4.380
  319   1HB   GLN  41          2HB       GLN  41  69.083  -1.654   5.347
  320   2HB   GLN  41          3HB       GLN  41  69.566  -1.573   3.653
  321   1HG   GLN  41          2HG       GLN  41  69.357  -3.879   4.023
  322   2HG   GLN  41          3HG       GLN  41  71.088  -3.605   4.231
  323   1HE2  GLN  41          HE22      GLN  41  70.905  -5.075   7.418
  324   2HE2  GLN  41          HE21      GLN  41  71.697  -4.982   5.920
  325    H    GLY  42           HN       GLY  42  71.683   0.376   3.071
  326   1HA   GLY  42          2HA       GLY  42  70.853   2.571   2.553
  327   2HA   GLY  42          3HA       GLY  42  70.253   2.709   4.205
  328    H    CYS  43           HN       CYS  43  73.376   1.467   4.270
  329    HA   CYS  43           HA       CYS  43  74.548   4.207   4.507
  330   1HB   CYS  43          2HB       CYS  43  74.826   1.871   6.402
  331   2HB   CYS  43          3HB       CYS  43  75.912   3.260   6.424
  332    HG   CYS  43           HG       CYS  43  73.691   4.757   6.806
  333    H    TYR  44           HN       TYR  44  76.945   4.234   4.218
  334    HA   TYR  44           HA       TYR  44  77.886   1.868   2.648
  335   1HB   TYR  44          2HB       TYR  44  78.482   4.807   2.176
  336   2HB   TYR  44          3HB       TYR  44  79.241   3.476   1.303
  337    HD1  TYR  44           HD2      TYR  44  75.978   5.105   2.032
  338    HD2  TYR  44           HD1      TYR  44  78.131   2.392  -0.503
  339    HE1  TYR  44           HE2      TYR  44  74.059   5.047   0.462
  340    HE2  TYR  44           HE1      TYR  44  76.210   2.327  -2.070
  341    HH   TYR  44           HH       TYR  44  74.270   3.421  -2.648
  342    H    ALA  45           HN       ALA  45  80.122   1.312   2.954
  343    HA   ALA  45           HA       ALA  45  81.855   2.896   4.643
  344   1HB   ALA  45           HB3      ALA  45  80.526   0.445   5.832
  345   2HB   ALA  45           HB2      ALA  45  81.941   1.237   6.526
  346   3HB   ALA  45           HB1      ALA  45  80.406   2.101   6.424
  347    H    CYS  46           HN       CYS  46  83.980   2.124   4.458
  348    HA   CYS  46           HA       CYS  46  84.277  -0.483   3.056
  349   1HB   CYS  46          2HB       CYS  46  86.040   0.414   1.685
  350   2HB   CYS  46          3HB       CYS  46  84.718   1.586   1.612
  351    HG   CYS  46           HG       CYS  46  87.407   2.014   3.082
  352    H    SER  47           HN       SER  47  86.076  -1.712   3.666
  353    HA   SER  47           HA       SER  47  87.444  -0.733   6.139
  354   1HB   SER  47          2HB       SER  47  87.442  -2.987   6.980
  355   2HB   SER  47          3HB       SER  47  85.801  -2.625   6.454
  356    HG   SER  47           HG       SER  47  87.711  -3.835   4.754
  357    H    VAL  48           HN       VAL  48  89.673  -1.065   6.264
  358    HA   VAL  48           HA       VAL  48  90.948  -2.400   3.920
  359    HB   VAL  48           HB       VAL  48  91.292  -0.105   3.438
  360   1HG1  VAL  48          HG13      VAL  48  91.397   0.123   6.393
  361   2HG1  VAL  48          HG12      VAL  48  92.423   1.235   5.489
  362   3HG1  VAL  48          HG11      VAL  48  90.683   1.215   5.206
  363   1HG2  VAL  48          HG21      VAL  48  93.368  -1.573   3.531
  364   2HG2  VAL  48          HG23      VAL  48  93.662   0.163   3.629
  365   3HG2  VAL  48          HG22      VAL  48  93.717  -0.825   5.089
  366    H    VAL  49           HN       VAL  49  93.046  -3.258   4.359
  367    HA   VAL  49           HA       VAL  49  93.482  -3.862   7.256
  368    HB   VAL  49           HB       VAL  49  94.195  -5.402   4.761
  369   1HG1  VAL  49          HG13      VAL  49  95.359  -5.462   7.432
  370   2HG1  VAL  49          HG12      VAL  49  94.669  -7.022   6.982
  371   3HG1  VAL  49          HG11      VAL  49  95.896  -6.273   5.959
  372   1HG2  VAL  49          HG21      VAL  49  92.066  -5.548   6.818
  373   2HG2  VAL  49          HG23      VAL  49  92.039  -6.061   5.132
  374   3HG2  VAL  49          HG22      VAL  49  92.791  -7.088   6.353
  375    H    VAL  50           HN       VAL  50  95.415  -3.237   8.163
  376    HA   VAL  50           HA       VAL  50  97.555  -2.390   6.270
  377    HB   VAL  50           HB       VAL  50  96.466  -0.452   7.474
  378   1HG1  VAL  50          HG13      VAL  50  97.782  -1.768   9.862
  379   2HG1  VAL  50          HG12      VAL  50  97.071  -0.158   9.856
  380   3HG1  VAL  50          HG11      VAL  50  96.052  -1.573   9.615
  381   1HG2  VAL  50          HG23      VAL  50  99.115  -0.932   6.866
  382   2HG2  VAL  50          HG22      VAL  50  98.462   0.629   7.362
  383   3HG2  VAL  50          HG21      VAL  50  99.203  -0.437   8.556
  384    H    ASP  51           HN       ASP  51  99.727  -2.692   7.087
  385    HA   ASP  51           HA       ASP  51 100.297  -5.213   8.098
  386   1HB   ASP  51          2HB       ASP  51 101.918  -3.589   7.029
  387   2HB   ASP  51          3HB       ASP  51 102.002  -2.763   8.584
  388    H    GLY  52           HN       GLY  52  99.214  -2.492   9.773
  389   1HA   GLY  52          2HA       GLY  52 100.158  -3.460  12.389
  390   2HA   GLY  52          3HA       GLY  52  99.307  -1.948  12.100
  391    H    GLU  53           HN       GLU  53  96.940  -2.686  10.935
  392    HA   GLU  53           HA       GLU  53  95.794  -4.974  12.392
  393   1HB   GLU  53          2HB       GLU  53  95.070  -2.136  13.149
  394   2HB   GLU  53          3HB       GLU  53  94.142  -3.555  13.629
  395   1HG   GLU  53          2HG       GLU  53  96.293  -4.464  14.658
  396   2HG   GLU  53          3HG       GLU  53  96.987  -2.864  14.392
  397    H    VAL  54           HN       VAL  54  93.377  -5.072  12.101
  398    HA   VAL  54           HA       VAL  54  92.661  -4.361   9.326
  399    HB   VAL  54           HB       VAL  54  91.236  -5.922  11.507
  400   1HG1  VAL  54          HG12      VAL  54  90.440  -5.351   8.640
  401   2HG1  VAL  54          HG11      VAL  54  89.689  -6.590   9.645
  402   3HG1  VAL  54          HG13      VAL  54  89.560  -4.892  10.097
  403   1HG2  VAL  54          HG23      VAL  54  92.927  -6.615   9.125
  404   2HG2  VAL  54          HG22      VAL  54  92.941  -7.314  10.745
  405   3HG2  VAL  54          HG21      VAL  54  91.648  -7.727   9.618
  406    H    LYS  55           HN       LYS  55  91.179  -2.674   8.851
  407    HA   LYS  55           HA       LYS  55  89.918  -1.367  11.233
  408   1HB   LYS  55          2HB       LYS  55  91.290  -0.010   8.906
  409   2HB   LYS  55          3HB       LYS  55  90.367   0.831  10.151
  410   1HG   LYS  55          2HG       LYS  55  92.454   0.993  11.107
  411   2HG   LYS  55          3HG       LYS  55  92.003  -0.595  11.734
  412   1HD   LYS  55          2HD       LYS  55  94.147  -0.932  10.778
  413   2HD   LYS  55          3HD       LYS  55  93.013  -1.546   9.572
  414   1HE   LYS  55          2HE       LYS  55  93.739   1.337   9.388
  415   2HE   LYS  55          3HE       LYS  55  94.975   0.169   8.934
  416   1HZ   LYS  55           HZ1      LYS  55  92.675  -0.765   7.786
  417   2HZ   LYS  55           HZ3      LYS  55  92.603   0.912   7.549
  418   3HZ   LYS  55           HZ2      LYS  55  93.946   0.035   6.991
  419    H    HIS  56           HN       HIS  56  87.952  -0.300  10.874
  420    HA   HIS  56           HA       HIS  56  86.570  -0.976   8.315
  421   1HB   HIS  56          2HB       HIS  56  85.581  -0.625  11.152
  422   2HB   HIS  56          3HB       HIS  56  84.484  -0.506   9.778
  423    HD1  HIS  56           HD1      HIS  56  86.121  -2.952  11.964
  424    HD2  HIS  56           HD2      HIS  56  84.468  -2.957   8.144
  425    HE1  HIS  56           HE1      HIS  56  85.709  -5.383  11.360
  426    H    CYS  57           HN       CYS  57  86.387   0.832   7.019
  427    HA   CYS  57           HA       CYS  57  86.312   3.491   8.376
  428   1HB   CYS  57          2HB       CYS  57  88.084   3.124   6.628
  429   2HB   CYS  57          3HB       CYS  57  86.799   2.896   5.439
  430    HG   CYS  57           HG       CYS  57  87.293   5.590   6.958
  431    H    VAL  58           HN       VAL  58  84.437   4.610   8.362
  432    HA   VAL  58           HA       VAL  58  82.149   3.419   6.920
  433    HB   VAL  58           HB       VAL  58  82.156   4.092   9.390
  434   1HG1  VAL  58          HG11      VAL  58  83.173   6.412   8.616
  435   2HG1  VAL  58          HG13      VAL  58  81.478   6.837   8.396
  436   3HG1  VAL  58          HG12      VAL  58  82.060   6.335   9.984
  437   1HG2  VAL  58          HG21      VAL  58  80.142   4.354   7.314
  438   2HG2  VAL  58          HG23      VAL  58  79.961   3.766   8.965
  439   3HG2  VAL  58          HG22      VAL  58  79.832   5.492   8.625
  440    H    ILE  59           HN       ILE  59  81.195   4.343   5.187
  441    HA   ILE  59           HA       ILE  59  82.042   7.103   4.428
  442    HB   ILE  59           HB       ILE  59  81.299   4.773   2.625
  443   1HG1  ILE  59          HG12      ILE  59  83.908   6.302   2.883
  444   2HG1  ILE  59          HG11      ILE  59  83.599   4.757   3.675
  445   1HG2  ILE  59          HG21      ILE  59  81.612   7.712   2.174
  446   2HG2  ILE  59          HG23      ILE  59  82.262   6.628   0.944
  447   3HG2  ILE  59          HG22      ILE  59  80.550   6.558   1.364
  448   1HD1  ILE  59          HD12      ILE  59  83.131   3.743   1.448
  449   2HD1  ILE  59          HD11      ILE  59  83.545   5.281   0.688
  450   3HD1  ILE  59          HD13      ILE  59  84.775   4.373   1.566
  451    H    ASN  60           HN       ASN  60  80.370   8.538   3.873
  452    HA   ASN  60           HA       ASN  60  77.604   7.453   4.273
  453   1HB   ASN  60          2HB       ASN  60  78.747  10.221   4.752
  454   2HB   ASN  60          3HB       ASN  60  77.027   9.845   4.840
  455   1HD2  ASN  60          HD22      ASN  60  78.514   9.519   8.272
  456   2HD2  ASN  60          HD21      ASN  60  78.420  10.780   7.140
  457    H    LYS  61           HN       LYS  61  75.971   8.121   2.768
  458    HA   LYS  61           HA       LYS  61  77.088   9.330   0.271
  459   1HB   LYS  61          2HB       LYS  61  76.310   6.977   0.054
  460   2HB   LYS  61          3HB       LYS  61  74.700   7.486   0.563
  461   1HG   LYS  61          2HG       LYS  61  74.533   8.989  -1.366
  462   2HG   LYS  61          3HG       LYS  61  76.169   8.560  -1.865
  463   1HD   LYS  61          2HD       LYS  61  74.543   6.186  -1.445
  464   2HD   LYS  61          3HD       LYS  61  73.807   7.265  -2.631
  465   1HE   LYS  61          2HE       LYS  61  75.925   7.345  -3.887
  466   2HE   LYS  61          3HE       LYS  61  76.678   6.283  -2.697
  467   1HZ   LYS  61           HZ3      LYS  61  74.574   4.828  -3.299
  468   2HZ   LYS  61           HZ2      LYS  61  74.715   5.671  -4.767
  469   3HZ   LYS  61           HZ1      LYS  61  76.015   4.740  -4.193
  470    H    THR  62           HN       THR  62  76.571  11.479   0.431
  471    HA   THR  62           HA       THR  62  73.767  12.231   0.223
  472    HB   THR  62           HB       THR  62  75.325  13.179   2.643
  473    HG1  THR  62           HG1      THR  62  73.375  11.231   2.212
  474   1HG2  THR  62          HG23      THR  62  72.601  13.842   1.530
  475   2HG2  THR  62          HG22      THR  62  73.027  14.133   3.217
  476   3HG2  THR  62          HG21      THR  62  73.912  14.950   1.929
  477    H    ALA  63           HN       ALA  63  73.636  14.734   0.050
  478    HA   ALA  63           HA       ALA  63  75.475  15.615  -1.937
  479   1HB   ALA  63           HB3      ALA  63  73.100  16.508  -1.283
  480   2HB   ALA  63           HB2      ALA  63  73.994  17.561  -0.187
  481   3HB   ALA  63           HB1      ALA  63  74.295  17.635  -1.923
  482    H    THR  64           HN       THR  64  75.370  16.248   1.571
  483    HA   THR  64           HA       THR  64  78.079  17.492   1.322
  484    HB   THR  64           HB       THR  64  76.022  17.826   3.530
  485    HG1  THR  64           HG1      THR  64  76.601  20.074   2.293
  486   1HG2  THR  64          HG21      THR  64  78.850  18.666   3.183
  487   2HG2  THR  64          HG23      THR  64  77.743  19.880   3.824
  488   3HG2  THR  64          HG22      THR  64  77.942  18.340   4.660
  489    H    GLY  65           HN       GLY  65  76.777  14.584   1.987
  490   1HA   GLY  65          2HA       GLY  65  78.267  14.003   4.465
  491   2HA   GLY  65          3HA       GLY  65  77.246  12.870   3.587
  492    H    TYR  66           HN       TYR  66  78.150  11.755   1.753
  493    HA   TYR  66           HA       TYR  66  79.885  10.604   0.672
  494   1HB   TYR  66          2HB       TYR  66  81.147  13.333   1.014
  495   2HB   TYR  66          3HB       TYR  66  81.915  12.020   0.116
  496    HD1  TYR  66           HD1      TYR  66  80.816  11.071  -1.902
  497    HD2  TYR  66           HD2      TYR  66  79.266  14.527   0.119
  498    HE1  TYR  66           HE1      TYR  66  79.423  11.601  -3.881
  499    HE2  TYR  66           HE2      TYR  66  77.867  15.056  -1.859
  500    HH   TYR  66           HH       TYR  66  78.152  13.203  -4.858
  501    H    GLY  67           HN       GLY  67  82.399  10.095   1.004
  502   1HA   GLY  67          2HA       GLY  67  82.639   9.141   3.736
  503   2HA   GLY  67          3HA       GLY  67  83.840   8.930   2.461
  504    H    PHE  68           HN       PHE  68  85.388  10.640   2.103
  505    HA   PHE  68           HA       PHE  68  85.941  12.201   4.548
  506   1HB   PHE  68          2HB       PHE  68  87.476  11.882   1.951
  507   2HB   PHE  68          3HB       PHE  68  88.032  12.841   3.318
  508    HD1  PHE  68           HD1      PHE  68  86.199  10.028   4.536
  509    HD2  PHE  68           HD2      PHE  68  90.020  11.160   2.921
  510    HE1  PHE  68           HE1      PHE  68  87.221   8.007   5.529
  511    HE2  PHE  68           HE2      PHE  68  91.040   9.139   3.917
  512    HZ   PHE  68           HZ       PHE  68  89.645   7.559   5.221
  513    H    ALA  69           HN       ALA  69  85.530  14.377   4.724
  514    HA   ALA  69           HA       ALA  69  84.886  15.853   2.206
  515   1HB   ALA  69           HB1      ALA  69  83.392  15.742   4.805
  516   2HB   ALA  69           HB3      ALA  69  83.355  17.223   3.851
  517   3HB   ALA  69           HB2      ALA  69  82.767  15.712   3.156
  518    H    GLU  70           HN       GLU  70  86.887  15.606   4.878
  519    HA   GLU  70           HA       GLU  70  87.249  18.391   5.500
  520   1HB   GLU  70          2HB       GLU  70  89.051  15.984   5.890
  521   2HB   GLU  70          3HB       GLU  70  89.449  17.598   6.474
  522   1HG   GLU  70          2HG       GLU  70  86.943  16.050   7.201
  523   2HG   GLU  70          3HG       GLU  70  88.366  16.218   8.229
  524    HA   PRO  71           HA       PRO  71  90.755  17.856   2.135
  525   1HB   PRO  71          2HB       PRO  71  89.327  16.175   0.177
  526   2HB   PRO  71          3HB       PRO  71  90.986  16.028   0.783
  527   1HG   PRO  71          2HG       PRO  71  89.060  14.288   1.463
  528   2HG   PRO  71          3HG       PRO  71  90.363  14.742   2.574
  529   1HD   PRO  71          2HD       PRO  71  87.514  15.669   2.536
  530   2HD   PRO  71          3HD       PRO  71  88.558  15.293   3.923
  531    H    TYR  72           HN       TYR  72  87.427  18.422   2.010
  532    HA   TYR  72           HA       TYR  72  86.070  19.789   0.664
  533   1HB   TYR  72          2HB       TYR  72  87.058  22.004   0.250
  534   2HB   TYR  72          3HB       TYR  72  87.468  21.434   1.866
  535    HD1  TYR  72           HD2      TYR  72  89.742  20.573   2.360
  536    HD2  TYR  72           HD1      TYR  72  88.754  22.296  -1.450
  537    HE1  TYR  72           HE2      TYR  72  92.155  20.818   1.846
  538    HE2  TYR  72           HE1      TYR  72  91.164  22.543  -1.963
  539    HH   TYR  72           HH       TYR  72  93.547  22.395   0.297
  540    H    ASN  73           HN       ASN  73  87.039  17.639  -0.798
  541    HA   ASN  73           HA       ASN  73  87.813  18.867  -3.409
  542   1HB   ASN  73          2HB       ASN  73  88.095  16.015  -2.414
  543   2HB   ASN  73          3HB       ASN  73  88.498  16.547  -4.048
  544   1HD2  ASN  73          HD22      ASN  73  90.981  18.888  -2.236
  545   2HD2  ASN  73          HD21      ASN  73  89.437  19.230  -2.851
  546    H    LEU  74           HN       LEU  74  85.253  17.299  -1.723
  547    HA   LEU  74           HA       LEU  74  83.217  16.363  -2.488
  548   1HB   LEU  74          2HB       LEU  74  82.918  18.783  -2.940
  549   2HB   LEU  74          3HB       LEU  74  83.634  18.561  -4.537
  550    HG   LEU  74           HG       LEU  74  81.830  16.923  -5.077
  551   1HD1  LEU  74          HD12      LEU  74  81.255  17.380  -2.237
  552   2HD1  LEU  74          HD11      LEU  74  79.829  17.528  -3.263
  553   3HD1  LEU  74          HD13      LEU  74  80.777  16.039  -3.277
  554   1HD2  LEU  74          HD21      LEU  74  81.748  19.651  -5.163
  555   2HD2  LEU  74          HD23      LEU  74  80.490  18.611  -5.830
  556   3HD2  LEU  74          HD22      LEU  74  80.296  19.308  -4.220
  557    H    TYR  75           HN       TYR  75  84.189  14.316  -3.218
  558    HA   TYR  75           HA       TYR  75  85.330  13.930  -5.797
  559   1HB   TYR  75          2HB       TYR  75  83.742  11.996  -4.083
  560   2HB   TYR  75          3HB       TYR  75  84.697  11.534  -5.492
  561    HD1  TYR  75           HD1      TYR  75  87.171  11.820  -5.480
  562    HD2  TYR  75           HD2      TYR  75  84.780  12.557  -1.992
  563    HE1  TYR  75           HE1      TYR  75  89.207  11.740  -4.069
  564    HE2  TYR  75           HE2      TYR  75  86.818  12.478  -0.578
  565    HH   TYR  75           HH       TYR  75  89.635  11.161  -1.496
  566    H    SER  76           HN       SER  76  84.437  13.752  -7.794
  567    HA   SER  76           HA       SER  76  81.699  14.516  -8.234
  568   1HB   SER  76          2HB       SER  76  83.741  13.275 -10.097
  569   2HB   SER  76          3HB       SER  76  82.187  13.924 -10.615
  570    HG   SER  76           HG       SER  76  82.974  15.887  -9.406
  571    H    SER  77           HN       SER  77  83.360  11.367  -8.227
  572    HA   SER  77           HA       SER  77  80.671  10.093  -8.142
  573   1HB   SER  77          2HB       SER  77  81.453   9.988 -10.486
  574   2HB   SER  77          3HB       SER  77  82.939   9.207  -9.953
  575    HG   SER  77           HG       SER  77  81.649   7.538 -10.429
  576    H    LEU  78           HN       LEU  78  80.719   7.932  -7.217
  577    HA   LEU  78           HA       LEU  78  82.432   7.659  -4.951
  578   1HB   LEU  78          2HB       LEU  78  80.764   5.618  -6.441
  579   2HB   LEU  78          3HB       LEU  78  81.574   5.288  -4.912
  580    HG   LEU  78           HG       LEU  78  79.585   7.534  -5.317
  581   1HD1  LEU  78          HD11      LEU  78  78.836   5.004  -5.490
  582   2HD1  LEU  78          HD13      LEU  78  79.028   5.046  -3.735
  583   3HD1  LEU  78          HD12      LEU  78  77.895   6.142  -4.526
  584   1HD2  LEU  78          HD21      LEU  78  81.233   6.489  -3.049
  585   2HD2  LEU  78          HD23      LEU  78  80.780   8.149  -3.429
  586   3HD2  LEU  78          HD22      LEU  78  79.606   7.064  -2.682
  587    H    LYS  79           HN       LYS  79  82.604   6.313  -8.227
  588    HA   LYS  79           HA       LYS  79  84.693   4.445  -7.828
  589   1HB   LYS  79          2HB       LYS  79  83.992   6.171 -10.221
  590   2HB   LYS  79          3HB       LYS  79  85.253   4.938 -10.267
  591   1HG   LYS  79          2HG       LYS  79  83.607   3.224  -9.615
  592   2HG   LYS  79          3HG       LYS  79  82.343   4.455  -9.565
  593   1HD   LYS  79          2HD       LYS  79  82.794   4.956 -11.970
  594   2HD   LYS  79          3HD       LYS  79  83.947   3.621 -12.002
  595   1HE   LYS  79          2HE       LYS  79  81.792   2.840 -12.849
  596   2HE   LYS  79          3HE       LYS  79  82.113   2.078 -11.290
  597   1HZ   LYS  79           HZ2      LYS  79  80.833   4.510 -10.810
  598   2HZ   LYS  79           HZ1      LYS  79  79.949   3.707 -12.017
  599   3HZ   LYS  79           HZ3      LYS  79  80.241   2.943 -10.529
  600    H    GLU  80           HN       GLU  80  84.837   7.937  -8.521
  601    HA   GLU  80           HA       GLU  80  87.696   8.082  -8.659
  602   1HB   GLU  80          2HB       GLU  80  86.156   9.887  -9.450
  603   2HB   GLU  80          3HB       GLU  80  85.758  10.241  -7.767
  604   1HG   GLU  80          2HG       GLU  80  88.108  10.760  -7.295
  605   2HG   GLU  80          3HG       GLU  80  88.548  10.353  -8.954
  606    H    LEU  81           HN       LEU  81  85.403   8.170  -5.982
  607    HA   LEU  81           HA       LEU  81  87.155   9.113  -3.954
  608   1HB   LEU  81          2HB       LEU  81  84.698   8.827  -3.673
  609   2HB   LEU  81          3HB       LEU  81  84.919   7.078  -3.675
  610    HG   LEU  81           HG       LEU  81  86.581   8.678  -1.778
  611   1HD1  LEU  81          HD11      LEU  81  83.596   8.321  -1.616
  612   2HD1  LEU  81          HD13      LEU  81  84.563   8.362  -0.142
  613   3HD1  LEU  81          HD12      LEU  81  84.563   9.746  -1.236
  614   1HD2  LEU  81          HD21      LEU  81  85.254   5.963  -1.857
  615   2HD2  LEU  81          HD23      LEU  81  86.967   6.343  -1.698
  616   3HD2  LEU  81          HD22      LEU  81  85.872   6.630  -0.347
  617    H    VAL  82           HN       VAL  82  86.464   5.762  -4.996
  618    HA   VAL  82           HA       VAL  82  88.363   4.572  -3.188
  619    HB   VAL  82           HB       VAL  82  87.207   3.554  -5.803
  620   1HG1  VAL  82          HG12      VAL  82  88.935   2.273  -3.692
  621   2HG1  VAL  82          HG11      VAL  82  87.827   1.301  -4.658
  622   3HG1  VAL  82          HG13      VAL  82  89.114   2.217  -5.444
  623   1HG2  VAL  82          HG22      VAL  82  85.637   4.082  -3.855
  624   2HG2  VAL  82          HG21      VAL  82  85.593   2.421  -4.445
  625   3HG2  VAL  82          HG23      VAL  82  86.467   2.805  -2.965
  626    H    LEU  83           HN       LEU  83  88.570   5.767  -6.517
  627    HA   LEU  83           HA       LEU  83  91.210   4.783  -7.078
  628   1HB   LEU  83          2HB       LEU  83  89.678   5.597  -8.844
  629   2HB   LEU  83          3HB       LEU  83  89.804   7.229  -8.189
  630    HG   LEU  83           HG       LEU  83  92.287   7.121  -8.552
  631   1HD1  LEU  83          HD12      LEU  83  91.535   4.386  -9.304
  632   2HD1  LEU  83          HD11      LEU  83  92.551   5.180 -10.505
  633   3HD1  LEU  83          HD13      LEU  83  93.106   5.031  -8.842
  634   1HD2  LEU  83          HD23      LEU  83  90.288   6.927 -10.783
  635   2HD2  LEU  83          HD22      LEU  83  91.221   8.322 -10.244
  636   3HD2  LEU  83          HD21      LEU  83  92.004   7.045 -11.173
  637    H    HIS  84           HN       HIS  84  90.084   7.974  -5.920
  638    HA   HIS  84           HA       HIS  84  92.681   9.142  -5.763
  639   1HB   HIS  84          2HB       HIS  84  90.473  10.363  -5.633
  640   2HB   HIS  84          3HB       HIS  84  90.319   9.774  -3.978
  641    HD1  HIS  84           HD1      HIS  84  91.867  10.799  -2.187
  642    HD2  HIS  84           HD2      HIS  84  92.565  12.293  -6.018
  643    HE1  HIS  84           HE1      HIS  84  93.405  12.793  -1.909
  644    H    TYR  85           HN       TYR  85  90.784   7.331  -3.383
  645    HA   TYR  85           HA       TYR  85  92.502   7.727  -1.159
  646   1HB   TYR  85          2HB       TYR  85  90.511   5.597  -1.890
  647   2HB   TYR  85          3HB       TYR  85  91.467   5.469  -0.417
  648    HD1  TYR  85           HD2      TYR  85  89.950   8.459  -2.122
  649    HD2  TYR  85           HD1      TYR  85  90.083   5.970   1.380
  650    HE1  TYR  85           HE2      TYR  85  88.403  10.005  -0.962
  651    HE2  TYR  85           HE1      TYR  85  88.535   7.518   2.538
  652    HH   TYR  85           HH       TYR  85  86.639   9.629   1.102
  653    H    GLN  86           HN       GLN  86  92.787   5.447  -3.850
  654    HA   GLN  86           HA       GLN  86  94.689   3.727  -2.534
  655   1HB   GLN  86          2HB       GLN  86  95.011   2.724  -4.611
  656   2HB   GLN  86          3HB       GLN  86  93.400   3.411  -4.809
  657   1HG   GLN  86          2HG       GLN  86  94.636   5.498  -5.717
  658   2HG   GLN  86          3HG       GLN  86  96.026   4.427  -5.880
  659   1HE2  GLN  86          HE22      GLN  86  94.722   3.585  -9.062
  660   2HE2  GLN  86          HE21      GLN  86  95.980   4.341  -8.211
  661    H    HIS  87           HN       HIS  87  94.907   6.816  -4.167
  662    HA   HIS  87           HA       HIS  87  97.822   6.782  -4.344
  663   1HB   HIS  87          2HB       HIS  87  96.320   8.112  -5.882
  664   2HB   HIS  87          3HB       HIS  87  95.985   9.183  -4.519
  665    HD1  HIS  87           HD1      HIS  87  98.105  10.446  -3.472
  666    HD2  HIS  87           HD2      HIS  87  98.794   8.562  -7.128
  667    HE1  HIS  87           HE1      HIS  87 100.283  11.384  -4.366
  668    H    THR  88           HN       THR  88  95.392   8.210  -2.155
  669    HA   THR  88           HA       THR  88  97.450   9.543  -0.569
  670    HB   THR  88           HB       THR  88  94.983  10.265  -0.834
  671    HG1  THR  88           HG1      THR  88  96.594  10.209   1.414
  672   1HG2  THR  88          HG22      THR  88  94.378   7.786  -0.004
  673   2HG2  THR  88          HG21      THR  88  94.440   8.584   1.568
  674   3HG2  THR  88          HG23      THR  88  93.328   9.163   0.327
  675    H    SER  89           HN       SER  89  97.977   9.011   1.618
  676    HA   SER  89           HA       SER  89  97.769   6.089   2.156
  677   1HB   SER  89          2HB       SER  89 100.059   6.984   1.995
  678   2HB   SER  89          3HB       SER  89  99.697   8.155   3.260
  679    HG   SER  89           HG       SER  89  98.989   5.956   4.327
  680    H    LEU  90           HN       LEU  90  96.680   5.406   3.916
  681    HA   LEU  90           HA       LEU  90  95.011   7.250   5.366
  682   1HB   LEU  90          2HB       LEU  90  95.626   4.310   5.755
  683   2HB   LEU  90          3HB       LEU  90  94.417   5.187   6.695
  684    HG   LEU  90           HG       LEU  90  93.322   4.083   4.814
  685   1HD1  LEU  90          HD13      LEU  90  92.892   6.608   5.522
  686   2HD1  LEU  90          HD12      LEU  90  93.454   6.911   3.876
  687   3HD1  LEU  90          HD11      LEU  90  92.047   5.883   4.154
  688   1HD2  LEU  90          HD23      LEU  90  95.577   4.248   3.461
  689   2HD2  LEU  90          HD22      LEU  90  94.039   4.229   2.607
  690   3HD2  LEU  90          HD21      LEU  90  94.876   5.757   2.873
  691    H    VAL  91           HN       VAL  91  98.254   6.357   5.792
  692    HA   VAL  91           HA       VAL  91  98.760   6.116   8.489
  693    HB   VAL  91           HB       VAL  91 100.499   6.450   6.691
  694   1HG1  VAL  91          HG11      VAL  91  99.289   8.612   5.910
  695   2HG1  VAL  91          HG13      VAL  91 100.177   9.394   7.220
  696   3HG1  VAL  91          HG12      VAL  91 101.053   8.595   5.912
  697   1HG2  VAL  91          HG23      VAL  91 101.055   6.452   9.100
  698   2HG2  VAL  91          HG22      VAL  91 102.085   7.572   8.208
  699   3HG2  VAL  91          HG21      VAL  91 100.736   8.187   9.163
  700    H    GLN  92           HN       GLN  92  97.892   9.148   6.829
  701    HA   GLN  92           HA       GLN  92  98.190  11.057   8.748
  702   1HB   GLN  92          2HB       GLN  92  97.054  11.427   6.560
  703   2HB   GLN  92          3HB       GLN  92  95.604  10.673   7.222
  704   1HG   GLN  92          2HG       GLN  92  95.493  12.378   8.984
  705   2HG   GLN  92          3HG       GLN  92  96.962  13.132   8.359
  706   1HE2  GLN  92          HE22      GLN  92  93.998  13.246   5.557
  707   2HE2  GLN  92          HE21      GLN  92  94.537  11.758   6.176
  708    H    HIS  93           HN       HIS  93  95.694   8.521   8.843
  709    HA   HIS  93           HA       HIS  93  94.293   9.617  11.093
  710   1HB   HIS  93          2HB       HIS  93  93.418   7.793   9.615
  711   2HB   HIS  93          3HB       HIS  93  94.583   6.692  10.352
  712    HD1  HIS  93           HD1      HIS  93  92.240   5.465  11.120
  713    HD2  HIS  93           HD2      HIS  93  93.171   9.071  12.995
  714    HE1  HIS  93           HE1      HIS  93  90.841   5.557  13.227
  715    H    ASN  94           HN       ASN  94  94.994   9.779  13.167
  716    HA   ASN  94           HA       ASN  94  96.492   9.591  14.982
  717   1HB   ASN  94          2HB       ASN  94  96.114   6.683  14.213
  718   2HB   ASN  94          3HB       ASN  94  96.770   7.245  15.751
  719   1HD2  ASN  94          HD22      ASN  94  92.834   6.936  15.435
  720   2HD2  ASN  94          HD21      ASN  94  93.956   6.129  14.450
  721    H    ASP  95           HN       ASP  95  97.543   9.292  11.978
  722    HA   ASP  95           HA       ASP  95  99.665   9.139  10.996
  723   1HB   ASP  95          2HB       ASP  95 100.471   9.575  13.883
  724   2HB   ASP  95          3HB       ASP  95 101.572   9.681  12.507
  725    H    SER  96           HN       SER  96  98.474   6.585  11.523
  726    HA   SER  96           HA       SER  96 100.959   5.027  11.773
  727   1HB   SER  96          2HB       SER  96  98.598   4.450  13.574
  728   2HB   SER  96          3HB       SER  96 100.085   3.512  13.481
  729    HG   SER  96           HG       SER  96  99.642   6.102  14.487
  730    H    LEU  97           HN       LEU  97  98.201   5.553  10.095
  731    HA   LEU  97           HA       LEU  97  97.810   2.658   9.461
  732   1HB   LEU  97          2HB       LEU  97  96.203   5.084   8.590
  733   2HB   LEU  97          3HB       LEU  97  95.798   3.402   8.244
  734    HG   LEU  97           HG       LEU  97  94.523   4.134  10.180
  735   1HD1  LEU  97          HD12      LEU  97  95.797   1.832  10.081
  736   2HD1  LEU  97          HD11      LEU  97  96.752   2.528  11.389
  737   3HD1  LEU  97          HD13      LEU  97  95.011   2.329  11.578
  738   1HD2  LEU  97          HD21      LEU  97  96.583   5.802  10.665
  739   2HD2  LEU  97          HD23      LEU  97  95.395   5.375  11.897
  740   3HD2  LEU  97          HD22      LEU  97  96.949   4.541  11.842
  741    H    ASN  98           HN       ASN  98 100.062   2.882   8.537
  742    HA   ASN  98           HA       ASN  98 100.350   4.428   6.085
  743   1HB   ASN  98          2HB       ASN  98 102.203   3.943   7.710
  744   2HB   ASN  98          3HB       ASN  98 102.146   2.257   7.194
  745   1HD2  ASN  98          HD22      ASN  98 104.342   2.961   4.545
  746   2HD2  ASN  98          HD21      ASN  98 103.872   1.912   5.794
  747    H    VAL  99           HN       VAL  99  98.852   3.707   4.646
  748    HA   VAL  99           HA       VAL  99  99.493   1.403   3.055
  749    HB   VAL  99           HB       VAL  99  98.465   0.230   4.980
  750   1HG1  VAL  99          HG12      VAL  99  97.112   2.191   5.730
  751   2HG1  VAL  99          HG11      VAL  99  96.039   1.943   4.351
  752   3HG1  VAL  99          HG13      VAL  99  96.151   0.716   5.611
  753   1HG2  VAL  99          HG23      VAL  99  97.963  -0.295   2.432
  754   2HG2  VAL  99          HG22      VAL  99  97.075  -1.138   3.700
  755   3HG2  VAL  99          HG21      VAL  99  96.333   0.226   2.864
  756    H    THR 100           HN       THR 100  97.309   1.053   1.572
  757    HA   THR 100           HA       THR 100  95.695   3.464   1.313
  758    HB   THR 100           HB       THR 100  97.773   4.211   0.213
  759    HG1  THR 100           HG1      THR 100  96.122   5.170  -0.711
  760   1HG2  THR 100          HG22      THR 100  98.187   1.713  -0.579
  761   2HG2  THR 100          HG21      THR 100  97.305   2.267  -2.003
  762   3HG2  THR 100          HG23      THR 100  98.795   3.074  -1.524
  763    H    LEU 101           HN       LEU 101  94.235   3.285  -0.595
  764    HA   LEU 101           HA       LEU 101  93.219   0.544  -0.712
  765   1HB   LEU 101          2HB       LEU 101  92.314   3.056  -2.152
  766   2HB   LEU 101          3HB       LEU 101  91.369   1.575  -1.951
  767    HG   LEU 101           HG       LEU 101  92.256   3.526   0.187
  768   1HD1  LEU 101          HD11      LEU 101  90.006   3.560  -1.270
  769   2HD1  LEU 101          HD13      LEU 101  89.506   2.394  -0.045
  770   3HD1  LEU 101          HD12      LEU 101  90.019   4.010   0.434
  771   1HD2  LEU 101          HD23      LEU 101  91.379   0.658   0.408
  772   2HD2  LEU 101          HD22      LEU 101  92.688   1.477   1.256
  773   3HD2  LEU 101          HD21      LEU 101  91.009   1.793   1.699
  774    H    ALA 102           HN       ALA 102  95.504   0.084  -1.708
  775    HA   ALA 102           HA       ALA 102  95.685   0.673  -4.583
  776   1HB   ALA 102           HB2      ALA 102  97.475  -0.446  -2.489
  777   2HB   ALA 102           HB1      ALA 102  97.783  -0.925  -4.158
  778   3HB   ALA 102           HB3      ALA 102  97.802   0.783  -3.710
  779    H    TYR 103           HN       TYR 103  94.776  -2.096  -2.556
  780    HA   TYR 103           HA       TYR 103  94.576  -3.659  -5.099
  781   1HB   TYR 103          2HB       TYR 103  95.190  -4.651  -2.310
  782   2HB   TYR 103          3HB       TYR 103  94.905  -5.699  -3.700
  783    HD1  TYR 103           HD1      TYR 103  96.471  -5.741  -5.591
  784    HD2  TYR 103           HD2      TYR 103  97.225  -3.346  -2.106
  785    HE1  TYR 103           HE1      TYR 103  98.830  -5.457  -6.299
  786    HE2  TYR 103           HE2      TYR 103  99.588  -3.064  -2.810
  787    HH   TYR 103           HH       TYR 103 100.852  -4.721  -5.692
  788    HA   PRO 104           HA       PRO 104  90.215  -3.883  -4.098
  789   1HB   PRO 104          2HB       PRO 104  89.519  -5.702  -6.000
  790   2HB   PRO 104          3HB       PRO 104  89.864  -4.004  -6.380
  791   1HG   PRO 104          2HG       PRO 104  91.586  -6.406  -6.704
  792   2HG   PRO 104          3HG       PRO 104  91.384  -5.007  -7.771
  793   1HD   PRO 104          2HD       PRO 104  93.516  -5.303  -6.081
  794   2HD   PRO 104          3HD       PRO 104  92.892  -3.719  -6.593
  795    H    VAL 105           HN       VAL 105  88.858  -5.355  -2.984
  796    HA   VAL 105           HA       VAL 105  90.172  -7.585  -1.678
  797    HB   VAL 105           HB       VAL 105  88.339  -6.109  -0.732
  798   1HG1  VAL 105          HG13      VAL 105  86.984  -6.929  -3.014
  799   2HG1  VAL 105          HG12      VAL 105  86.243  -7.883  -1.730
  800   3HG1  VAL 105          HG11      VAL 105  86.259  -6.125  -1.620
  801   1HG2  VAL 105          HG21      VAL 105  88.649  -9.026  -0.524
  802   2HG2  VAL 105          HG23      VAL 105  88.546  -7.813   0.753
  803   3HG2  VAL 105          HG22      VAL 105  87.074  -8.445   0.015
  804    H    TYR 106           HN       TYR 106  88.419  -7.168  -4.603
  805    HA   TYR 106           HA       TYR 106  88.392 -10.124  -5.008
  806   1HB   TYR 106          2HB       TYR 106  86.222  -8.120  -5.577
  807   2HB   TYR 106          3HB       TYR 106  86.322  -9.626  -6.487
  808    HD1  TYR 106           HD1      TYR 106  86.621 -11.806  -5.023
  809    HD2  TYR 106           HD2      TYR 106  85.042  -8.080  -3.572
  810    HE1  TYR 106           HE1      TYR 106  85.509 -13.004  -3.158
  811    HE2  TYR 106           HE2      TYR 106  83.928  -9.277  -1.710
  812    HH   TYR 106           HH       TYR 106  83.685 -12.711  -1.623
  813    H    ALA 107           HN       ALA 107  90.569  -9.165  -5.954
  814    HA   ALA 107           HA       ALA 107  90.526  -7.664  -8.380
  815   1HB   ALA 107           HB3      ALA 107  92.500  -8.823  -6.799
  816   2HB   ALA 107           HB2      ALA 107  92.621  -9.701  -8.324
  817   3HB   ALA 107           HB1      ALA 107  92.768  -7.944  -8.303
  818    H    GLN 108           HN       GLN 108  90.427  -8.291 -10.541
  819    HA   GLN 108           HA       GLN 108  88.759 -10.468 -11.254
  820   1HB   GLN 108          2HB       GLN 108  89.196  -8.467 -12.684
  821   2HB   GLN 108          3HB       GLN 108  90.811  -9.093 -13.013
  822   1HG   GLN 108          2HG       GLN 108  89.732 -11.198 -13.891
  823   2HG   GLN 108          3HG       GLN 108  88.170 -10.392 -13.729
  824   1HE2  GLN 108          HE22      GLN 108  88.798  -9.429 -17.116
  825   2HE2  GLN 108          HE21      GLN 108  87.970 -10.541 -16.137
  826    H    GLN 109           HN       GLN 109  89.171 -12.582 -11.787
  827    HA   GLN 109           HA       GLN 109  91.753 -13.720 -11.078
  828   1HB   GLN 109          2HB       GLN 109  89.329 -14.953 -12.433
  829   2HB   GLN 109          3HB       GLN 109  90.714 -15.859 -11.822
  830   1HG   GLN 109          2HG       GLN 109  90.271 -14.957  -9.550
  831   2HG   GLN 109          3HG       GLN 109  88.848 -14.125 -10.177
  832   1HE2  GLN 109          HE22      GLN 109  88.722 -18.242 -10.022
  833   2HE2  GLN 109          HE21      GLN 109  90.213 -17.478 -10.289
  834    H    ARG 110           HN       ARG 110  93.226 -14.761 -12.570
  835    HA   ARG 110           HA       ARG 110  92.854 -13.899 -15.413
  836   1HB   ARG 110          2HB       ARG 110  95.427 -14.117 -13.816
  837   2HB   ARG 110          3HB       ARG 110  95.340 -13.751 -15.541
  838   1HG   ARG 110          2HG       ARG 110  93.846 -11.789 -14.954
  839   2HG   ARG 110          3HG       ARG 110  94.225 -12.095 -13.260
  840   1HD   ARG 110          2HD       ARG 110  95.728 -10.374 -14.126
  841   2HD   ARG 110          3HD       ARG 110  96.649 -11.839 -13.792
  842    HE   ARG 110           HE       ARG 110  95.943 -12.090 -16.462
  843   1HH1  ARG 110          HH21      ARG 110  97.451  -9.694 -14.496
  844   2HH1  ARG 110          HH22      ARG 110  98.473  -9.103 -15.763
  845   1HH2  ARG 110          HH11      ARG 110  97.271 -11.333 -18.131
  846   2HH2  ARG 110          HH12      ARG 110  98.377 -10.037 -17.819
  847    H    ARG 111           HN       ARG 111  93.556 -15.413 -17.010
  848    HA   ARG 111           HA       ARG 111  93.530 -17.635 -17.822
  849   1HB   ARG 111          2HB       ARG 111  95.932 -17.246 -17.270
  850   2HB   ARG 111          3HB       ARG 111  95.644 -17.914 -15.662
  851   1HG   ARG 111          2HG       ARG 111  96.364 -19.816 -16.778
  852   2HG   ARG 111          3HG       ARG 111  94.624 -19.935 -17.044
  853   1HD   ARG 111          2HD       ARG 111  95.197 -18.429 -19.158
  854   2HD   ARG 111          3HD       ARG 111  96.789 -19.164 -18.972
  855    HE   ARG 111           HE       ARG 111  94.530 -20.428 -20.139
  856   1HH1  ARG 111          HH21      ARG 111  96.881 -21.020 -17.685
  857   2HH1  ARG 111          HH22      ARG 111  96.660 -22.735 -17.705
  858   1HH2  ARG 111          HH11      ARG 111  94.242 -22.663 -20.188
  859   2HH2  ARG 111          HH12      ARG 111  95.170 -23.667 -19.125
   
  No H/Q in entry =         859
  Start of MODEL    5
    1   1H    GLU   1           HT3      GLU   1  97.074   0.147 -19.625
    2   2H    GLU   1           HT2      GLU   1  98.516   0.965 -19.249
    3   3H    GLU   1           HT1      GLU   1  98.568  -0.609 -19.887
    4    HA   GLU   1           HA       GLU   1  97.881  -1.601 -17.936
    5   1HB   GLU   1          2HB       GLU   1  99.485   0.871 -17.213
    6   2HB   GLU   1          3HB       GLU   1  99.231  -0.492 -16.124
    7   1HG   GLU   1          2HG       GLU   1 100.201  -1.992 -17.907
    8   2HG   GLU   1          3HG       GLU   1 100.622  -0.542 -18.813
    9    H    ASP   2           HN       ASP   2  95.534  -1.189 -17.959
   10    HA   ASP   2           HA       ASP   2  94.480   1.195 -16.687
   11   1HB   ASP   2          2HB       ASP   2  92.315   0.077 -16.854
   12   2HB   ASP   2          3HB       ASP   2  93.205  -0.139 -18.363
   13    H    LEU   3           HN       LEU   3  93.136   1.084 -14.688
   14    HA   LEU   3           HA       LEU   3  94.498  -0.616 -12.666
   15   1HB   LEU   3          2HB       LEU   3  92.933   1.958 -12.482
   16   2HB   LEU   3          3HB       LEU   3  93.384   1.021 -11.054
   17    HG   LEU   3           HG       LEU   3  95.772   1.055 -12.048
   18   1HD1  LEU   3          HD12      LEU   3  94.339   3.145 -13.687
   19   2HD1  LEU   3          HD11      LEU   3  96.073   3.261 -13.371
   20   3HD1  LEU   3          HD13      LEU   3  95.427   1.864 -14.234
   21   1HD2  LEU   3          HD23      LEU   3  94.474   3.592 -11.009
   22   2HD2  LEU   3          HD22      LEU   3  95.111   2.274 -10.024
   23   3HD2  LEU   3          HD21      LEU   3  96.206   3.256 -10.997
   24    HA   PRO   4           HA       PRO   4  90.910  -3.103 -12.120
   25   1HB   PRO   4          2HB       PRO   4  91.183  -3.718  -9.451
   26   2HB   PRO   4          3HB       PRO   4  92.134  -4.473 -10.744
   27   1HG   PRO   4          2HG       PRO   4  92.886  -2.269  -8.890
   28   2HG   PRO   4          3HG       PRO   4  93.855  -3.631  -9.480
   29   1HD   PRO   4          2HD       PRO   4  94.107  -1.127 -10.509
   30   2HD   PRO   4          3HD       PRO   4  94.350  -2.585 -11.493
   31    H    HIS   5           HN       HIS   5  91.256  -0.053 -10.785
   32    HA   HIS   5           HA       HIS   5  89.041   0.052  -8.953
   33   1HB   HIS   5          2HB       HIS   5  90.323   2.214 -10.648
   34   2HB   HIS   5          3HB       HIS   5  89.112   2.521  -9.401
   35    HD1  HIS   5           HD1      HIS   5  89.941   0.820  -7.119
   36    HD2  HIS   5           HD2      HIS   5  92.753   2.786  -9.484
   37    HE1  HIS   5           HE1      HIS   5  92.050   0.986  -5.729
   38    H    HIS   6           HN       HIS   6  89.317   0.296 -12.452
   39    HA   HIS   6           HA       HIS   6  86.720   1.368 -12.955
   40   1HB   HIS   6          2HB       HIS   6  88.385  -0.542 -14.628
   41   2HB   HIS   6          3HB       HIS   6  86.959   0.319 -15.203
   42    HD1  HIS   6           HD1      HIS   6  87.239   3.107 -14.448
   43    HD2  HIS   6           HD2      HIS   6  90.628   0.864 -15.394
   44    HE1  HIS   6           HE1      HIS   6  89.052   4.769 -15.053
   45    H    ASP   7           HN       ASP   7  87.744  -1.697 -11.768
   46    HA   ASP   7           HA       ASP   7  85.186  -2.993 -12.491
   47   1HB   ASP   7          2HB       ASP   7  87.716  -4.027 -11.195
   48   2HB   ASP   7          3HB       ASP   7  86.270  -5.016 -11.436
   49    H    GLU   8           HN       GLU   8  83.547  -2.508 -11.112
   50    HA   GLU   8           HA       GLU   8  83.910  -1.683  -8.378
   51   1HB   GLU   8          2HB       GLU   8  81.960  -1.092  -9.853
   52   2HB   GLU   8          3HB       GLU   8  81.409  -2.758  -9.696
   53   1HG   GLU   8          2HG       GLU   8  81.421  -2.454  -7.208
   54   2HG   GLU   8          3HG       GLU   8  81.765  -0.746  -7.472
   55    H    LYS   9           HN       LYS   9  83.338  -4.739  -9.951
   56    HA   LYS   9           HA       LYS   9  82.546  -6.212  -7.614
   57   1HB   LYS   9          2HB       LYS   9  82.921  -8.175  -9.023
   58   2HB   LYS   9          3HB       LYS   9  82.176  -6.907 -10.003
   59   1HG   LYS   9          2HG       LYS   9  84.762  -6.244 -10.349
   60   2HG   LYS   9          3HG       LYS   9  84.958  -7.972 -10.081
   61   1HD   LYS   9          2HD       LYS   9  83.887  -8.534 -12.049
   62   2HD   LYS   9          3HD       LYS   9  82.849  -7.108 -12.023
   63   1HE   LYS   9          2HE       LYS   9  84.632  -5.683 -12.754
   64   2HE   LYS   9          3HE       LYS   9  85.840  -6.939 -12.478
   65   1HZ   LYS   9           HZ2      LYS   9  83.655  -7.050 -14.492
   66   2HZ   LYS   9           HZ1      LYS   9  85.292  -6.741 -14.823
   67   3HZ   LYS   9           HZ3      LYS   9  84.822  -8.257 -14.228
   68    H    THR  10           HN       THR  10  85.596  -4.938  -8.521
   69    HA   THR  10           HA       THR  10  87.125  -7.087  -7.236
   70    HB   THR  10           HB       THR  10  89.091  -5.626  -7.736
   71    HG1  THR  10           HG1      THR  10  88.798  -3.702  -8.618
   72   1HG2  THR  10          HG23      THR  10  87.106  -6.354  -9.882
   73   2HG2  THR  10          HG22      THR  10  88.706  -5.727 -10.274
   74   3HG2  THR  10          HG21      THR  10  88.545  -7.240  -9.379
   75    H    TRP  11           HN       TRP  11  85.763  -4.037  -6.171
   76    HA   TRP  11           HA       TRP  11  87.231  -4.466  -3.593
   77   1HB   TRP  11          2HB       TRP  11  86.476  -1.835  -3.463
   78   2HB   TRP  11          3HB       TRP  11  88.074  -2.389  -3.969
   79    HD1  TRP  11           HD1      TRP  11  88.194  -3.007  -6.699
   80    HE1  TRP  11           HE1      TRP  11  87.245  -1.654  -8.676
   81    HE3  TRP  11           HE3      TRP  11  84.809  -0.145  -4.201
   82    HZ2  TRP  11           HZ2      TRP  11  85.291   0.429  -9.116
   83    HZ3  TRP  11           HZ3      TRP  11  83.425   1.513  -5.400
   84    HH2  TRP  11           HH2      TRP  11  83.664   1.811  -7.854
   85    H    ASN  12           HN       ASN  12  84.175  -3.819  -5.172
   86    HA   ASN  12           HA       ASN  12  82.805  -3.326  -2.647
   87   1HB   ASN  12          2HB       ASN  12  80.867  -2.987  -3.897
   88   2HB   ASN  12          3HB       ASN  12  82.133  -2.476  -5.009
   89   1HD2  ASN  12          HD22      ASN  12  79.847  -4.748  -6.876
   90   2HD2  ASN  12          HD21      ASN  12  79.700  -3.245  -6.097
   91    H    VAL  13           HN       VAL  13  81.567  -4.746  -1.484
   92    HA   VAL  13           HA       VAL  13  81.824  -7.613  -2.298
   93    HB   VAL  13           HB       VAL  13  82.953  -6.911  -0.145
   94   1HG1  VAL  13          HG13      VAL  13  81.102  -5.237   0.369
   95   2HG1  VAL  13          HG12      VAL  13  80.128  -6.615   0.876
   96   3HG1  VAL  13          HG11      VAL  13  81.628  -6.241   1.718
   97   1HG2  VAL  13          HG23      VAL  13  81.109  -9.096  -0.606
   98   2HG2  VAL  13          HG22      VAL  13  82.621  -9.097   0.298
   99   3HG2  VAL  13          HG21      VAL  13  81.115  -8.657   1.103
  100    H    GLY  14           HN       GLY  14  79.733  -4.985  -1.694
  101   1HA   GLY  14          2HA       GLY  14  77.415  -4.833  -2.092
  102   2HA   GLY  14          3HA       GLY  14  77.394  -6.563  -2.435
  103    H    SER  15           HN       SER  15  75.369  -6.469  -1.104
  104    HA   SER  15           HA       SER  15  75.370  -5.791   1.654
  105   1HB   SER  15          2HB       SER  15  73.360  -7.082   1.827
  106   2HB   SER  15          3HB       SER  15  73.361  -6.422   0.196
  107    HG   SER  15           HG       SER  15  73.647  -8.367  -0.598
  108    H    SER  16           HN       SER  16  76.208  -6.853   3.431
  109    HA   SER  16           HA       SER  16  76.696  -9.694   3.523
  110   1HB   SER  16          2HB       SER  16  78.540  -9.061   1.985
  111   2HB   SER  16          3HB       SER  16  79.142  -7.924   3.184
  112    HG   SER  16           HG       SER  16  80.105 -10.103   3.148
  113    H    ASN  17           HN       ASN  17  77.537 -10.327   5.647
  114    HA   ASN  17           HA       ASN  17  76.868  -8.396   7.719
  115   1HB   ASN  17          2HB       ASN  17  77.995 -11.203   7.823
  116   2HB   ASN  17          3HB       ASN  17  77.641 -10.248   9.266
  117   1HD2  ASN  17          HD22      ASN  17  74.600 -12.254   8.520
  118   2HD2  ASN  17          HD21      ASN  17  76.199 -12.588   8.974
  119    H    ARG  18           HN       ARG  18  78.311  -7.379   9.146
  120    HA   ARG  18           HA       ARG  18  80.850  -6.631   8.120
  121   1HB   ARG  18          2HB       ARG  18  79.660  -6.450  10.891
  122   2HB   ARG  18          3HB       ARG  18  81.238  -5.777  10.485
  123   1HG   ARG  18          2HG       ARG  18  80.190  -4.432   8.682
  124   2HG   ARG  18          3HG       ARG  18  78.611  -5.071   9.142
  125   1HD   ARG  18          2HD       ARG  18  80.436  -3.565  11.032
  126   2HD   ARG  18          3HD       ARG  18  79.121  -2.815  10.130
  127    HE   ARG  18           HE       ARG  18  77.932  -4.959  11.455
  128   1HH1  ARG  18          HH21      ARG  18  79.811  -2.185  12.282
  129   2HH1  ARG  18          HH22      ARG  18  79.131  -2.034  13.867
  130   1HH2  ARG  18          HH11      ARG  18  77.017  -4.753  13.514
  131   2HH2  ARG  18          HH12      ARG  18  77.552  -3.480  14.561
  132    H    ASN  19           HN       ASN  19  79.991  -9.158  10.502
  133    HA   ASN  19           HA       ASN  19  82.643  -9.804  11.310
  134   1HB   ASN  19          2HB       ASN  19  80.527 -10.716  12.337
  135   2HB   ASN  19          3HB       ASN  19  80.362 -11.776  10.935
  136   1HD2  ASN  19          HD22      ASN  19  83.910 -12.680  12.656
  137   2HD2  ASN  19          HD21      ASN  19  83.667 -11.225  11.814
  138    H    LYS  20           HN       LYS  20  80.764 -10.850   8.485
  139    HA   LYS  20           HA       LYS  20  82.582 -12.798   7.480
  140   1HB   LYS  20          2HB       LYS  20  80.293 -12.359   6.558
  141   2HB   LYS  20          3HB       LYS  20  80.889 -10.849   5.876
  142   1HG   LYS  20          2HG       LYS  20  81.089 -12.334   4.068
  143   2HG   LYS  20          3HG       LYS  20  82.711 -12.329   4.757
  144   1HD   LYS  20          2HD       LYS  20  82.558 -14.484   5.501
  145   2HD   LYS  20          3HD       LYS  20  80.846 -14.339   5.893
  146   1HE   LYS  20          2HE       LYS  20  81.853 -14.420   3.038
  147   2HE   LYS  20          3HE       LYS  20  81.421 -15.879   3.930
  148   1HZ   LYS  20           HZ1      LYS  20  79.618 -13.569   3.424
  149   2HZ   LYS  20           HZ3      LYS  20  79.572 -15.055   2.610
  150   3HZ   LYS  20           HZ2      LYS  20  79.205 -14.985   4.266
  151    H    ALA  21           HN       ALA  21  82.566  -9.277   7.313
  152    HA   ALA  21           HA       ALA  21  84.637  -8.988   5.371
  153   1HB   ALA  21           HB1      ALA  21  83.042  -7.266   6.802
  154   2HB   ALA  21           HB3      ALA  21  84.622  -6.998   7.541
  155   3HB   ALA  21           HB2      ALA  21  84.410  -6.771   5.804
  156    H    GLU  22           HN       GLU  22  84.689  -9.519   8.870
  157    HA   GLU  22           HA       GLU  22  87.425  -9.034   9.370
  158   1HB   GLU  22          2HB       GLU  22  85.802  -9.468  11.154
  159   2HB   GLU  22          3HB       GLU  22  85.604 -11.128  10.598
  160   1HG   GLU  22          2HG       GLU  22  87.934 -11.616  11.120
  161   2HG   GLU  22          3HG       GLU  22  88.225  -9.936  11.559
  162    H    ASN  23           HN       ASN  23  85.850 -12.108   8.399
  163    HA   ASN  23           HA       ASN  23  88.270 -13.603   8.169
  164   1HB   ASN  23          2HB       ASN  23  85.957 -14.582   8.112
  165   2HB   ASN  23          3HB       ASN  23  85.760 -13.905   6.497
  166   1HD2  ASN  23          HD22      ASN  23  87.174 -16.804   5.127
  167   2HD2  ASN  23          HD21      ASN  23  85.924 -15.660   5.101
  168    H    LEU  24           HN       LEU  24  86.451 -11.633   5.830
  169    HA   LEU  24           HA       LEU  24  88.253 -12.063   3.625
  170   1HB   LEU  24          2HB       LEU  24  86.268  -9.856   4.237
  171   2HB   LEU  24          3HB       LEU  24  87.160  -9.960   2.721
  172    HG   LEU  24           HG       LEU  24  85.450 -12.211   3.811
  173   1HD1  LEU  24          HD12      LEU  24  84.755  -9.773   2.288
  174   2HD1  LEU  24          HD11      LEU  24  84.148 -11.280   1.598
  175   3HD1  LEU  24          HD13      LEU  24  83.724 -10.833   3.250
  176   1HD2  LEU  24          HD21      LEU  24  87.074 -11.707   1.342
  177   2HD2  LEU  24          HD23      LEU  24  86.892 -13.188   2.279
  178   3HD2  LEU  24          HD22      LEU  24  85.604 -12.668   1.193
  179    H    LEU  25           HN       LEU  25  88.215  -9.848   6.361
  180    HA   LEU  25           HA       LEU  25  90.511  -8.328   5.256
  181   1HB   LEU  25          2HB       LEU  25  88.880  -8.033   7.795
  182   2HB   LEU  25          3HB       LEU  25  90.272  -7.025   7.404
  183    HG   LEU  25           HG       LEU  25  88.196  -7.294   5.291
  184   1HD1  LEU  25          HD11      LEU  25  86.988  -6.970   7.537
  185   2HD1  LEU  25          HD13      LEU  25  87.783  -5.402   7.613
  186   3HD1  LEU  25          HD12      LEU  25  86.673  -5.761   6.300
  187   1HD2  LEU  25          HD22      LEU  25  89.939  -5.071   6.405
  188   2HD2  LEU  25          HD21      LEU  25  90.149  -5.928   4.876
  189   3HD2  LEU  25          HD23      LEU  25  88.779  -4.840   5.094
  190    H    ARG  26           HN       ARG  26  90.013 -11.135   6.997
  191    HA   ARG  26           HA       ARG  26  92.528 -10.840   8.553
  192   1HB   ARG  26          2HB       ARG  26  90.139 -12.659   8.724
  193   2HB   ARG  26          3HB       ARG  26  91.678 -13.170   9.436
  194   1HG   ARG  26          2HG       ARG  26  91.690 -10.845  10.561
  195   2HG   ARG  26          3HG       ARG  26  89.984 -10.766  10.136
  196   1HD   ARG  26          2HD       ARG  26  89.733 -13.029  11.260
  197   2HD   ARG  26          3HD       ARG  26  91.360 -12.818  11.895
  198    HE   ARG  26           HE       ARG  26  88.988 -11.686  12.995
  199   1HH1  ARG  26          HH21      ARG  26  92.173 -10.693  12.065
  200   2HH1  ARG  26          HH22      ARG  26  92.137  -9.257  13.032
  201   1HH2  ARG  26          HH11      ARG  26  88.950  -9.846  14.262
  202   2HH2  ARG  26          HH12      ARG  26  90.317  -8.783  14.280
  203    H    GLY  27           HN       GLY  27  94.343 -12.048   8.047
  204   1HA   GLY  27          2HA       GLY  27  95.603 -13.777   6.978
  205   2HA   GLY  27          3HA       GLY  27  94.145 -14.264   6.114
  206    H    LYS  28           HN       LYS  28  94.205 -11.011   5.776
  207    HA   LYS  28           HA       LYS  28  95.527 -11.231   3.130
  208   1HB   LYS  28          2HB       LYS  28  93.592  -9.147   4.187
  209   2HB   LYS  28          3HB       LYS  28  94.200  -9.262   2.531
  210   1HG   LYS  28          2HG       LYS  28  93.257 -11.831   3.092
  211   2HG   LYS  28          3HG       LYS  28  92.054 -10.760   3.810
  212   1HD   LYS  28          2HD       LYS  28  91.324 -11.018   1.581
  213   2HD   LYS  28          3HD       LYS  28  92.161  -9.466   1.581
  214   1HE   LYS  28          2HE       LYS  28  94.147 -10.452   0.641
  215   2HE   LYS  28          3HE       LYS  28  93.497 -12.079   0.837
  216   1HZ   LYS  28           HZ3      LYS  28  91.684 -10.478  -0.612
  217   2HZ   LYS  28           HZ2      LYS  28  93.214 -10.398  -1.349
  218   3HZ   LYS  28           HZ1      LYS  28  92.464 -11.904  -1.094
  219    H    ARG  29           HN       ARG  29  97.064  -9.722   2.501
  220    HA   ARG  29           HA       ARG  29  98.707  -8.625   4.618
  221   1HB   ARG  29          2HB       ARG  29  98.848  -8.343   1.610
  222   2HB   ARG  29          3HB       ARG  29 100.084  -7.755   2.721
  223   1HG   ARG  29          2HG       ARG  29 100.298 -10.078   3.630
  224   2HG   ARG  29          3HG       ARG  29  99.181 -10.624   2.374
  225   1HD   ARG  29          2HD       ARG  29 101.050  -9.111   0.982
  226   2HD   ARG  29          3HD       ARG  29 102.021  -9.974   2.172
  227    HE   ARG  29           HE       ARG  29 101.071 -11.149  -0.167
  228   1HH1  ARG  29          HH21      ARG  29 100.550 -11.647   3.220
  229   2HH1  ARG  29          HH22      ARG  29 100.233 -13.342   3.048
  230   1HH2  ARG  29          HH11      ARG  29 100.649 -13.342  -0.392
  231   2HH2  ARG  29          HH12      ARG  29 100.297 -14.298   1.011
  232    H    ASP  30           HN       ASP  30  99.379  -6.332   4.697
  233    HA   ASP  30           HA       ASP  30  97.181  -4.545   4.932
  234   1HB   ASP  30          2HB       ASP  30  99.389  -4.260   6.066
  235   2HB   ASP  30          3HB       ASP  30 100.093  -3.825   4.510
  236    H    GLY  31           HN       GLY  31  96.374  -2.960   3.546
  237   1HA   GLY  31          2HA       GLY  31  96.602  -1.553   1.523
  238   2HA   GLY  31          3HA       GLY  31  97.591  -2.830   0.810
  239    H    THR  32           HN       THR  32  95.666  -4.892   1.908
  240    HA   THR  32           HA       THR  32  93.883  -4.896  -0.412
  241    HB   THR  32           HB       THR  32  93.939  -6.754   1.983
  242    HG1  THR  32           HG1      THR  32  95.901  -6.880   0.992
  243   1HG2  THR  32          HG22      THR  32  92.428  -6.622  -0.563
  244   2HG2  THR  32          HG21      THR  32  93.077  -8.214  -0.145
  245   3HG2  THR  32          HG23      THR  32  91.989  -7.379   0.971
  246    H    PHE  33           HN       PHE  33  91.904  -3.876  -0.415
  247    HA   PHE  33           HA       PHE  33  90.512  -3.675   2.208
  248   1HB   PHE  33          2HB       PHE  33  90.396  -1.419   2.180
  249   2HB   PHE  33          3HB       PHE  33  91.733  -1.511   1.037
  250    HD1  PHE  33           HD1      PHE  33  91.108  -1.693  -1.505
  251    HD2  PHE  33           HD2      PHE  33  88.361  -0.510   1.572
  252    HE1  PHE  33           HE1      PHE  33  89.632  -0.639  -3.199
  253    HE2  PHE  33           HE2      PHE  33  86.910   0.532  -0.151
  254    HZ   PHE  33           HZ       PHE  33  87.538   0.461  -2.507
  255    H    LEU  34           HN       LEU  34  88.172  -2.873   1.825
  256    HA   LEU  34           HA       LEU  34  87.037  -3.795  -0.746
  257   1HB   LEU  34          2HB       LEU  34  85.562  -5.417   0.269
  258   2HB   LEU  34          3HB       LEU  34  87.207  -5.806   0.747
  259    HG   LEU  34           HG       LEU  34  86.168  -3.950   2.659
  260   1HD1  LEU  34          HD12      LEU  34  83.953  -4.808   1.762
  261   2HD1  LEU  34          HD11      LEU  34  84.430  -6.411   2.325
  262   3HD1  LEU  34          HD13      LEU  34  84.216  -5.096   3.481
  263   1HD2  LEU  34          HD21      LEU  34  86.866  -6.898   2.719
  264   2HD2  LEU  34          HD23      LEU  34  87.906  -5.547   3.167
  265   3HD2  LEU  34          HD22      LEU  34  86.508  -5.956   4.162
  266    H    VAL  35           HN       VAL  35  84.724  -3.206  -0.921
  267    HA   VAL  35           HA       VAL  35  84.080  -0.948   0.900
  268    HB   VAL  35           HB       VAL  35  83.342  -1.423  -1.988
  269   1HG1  VAL  35          HG13      VAL  35  82.051   0.264   0.093
  270   2HG1  VAL  35          HG12      VAL  35  82.297   0.994  -1.495
  271   3HG1  VAL  35          HG11      VAL  35  81.347  -0.486  -1.340
  272   1HG2  VAL  35          HG21      VAL  35  84.811   0.767  -0.526
  273   2HG2  VAL  35          HG23      VAL  35  85.517  -0.390  -1.650
  274   3HG2  VAL  35          HG22      VAL  35  84.386   0.832  -2.229
  275    H    ARG  36           HN       ARG  36  82.328  -1.195   2.203
  276    HA   ARG  36           HA       ARG  36  80.171  -3.065   1.379
  277   1HB   ARG  36          2HB       ARG  36  80.197  -4.213   3.545
  278   2HB   ARG  36          3HB       ARG  36  81.781  -4.383   2.783
  279   1HG   ARG  36          2HG       ARG  36  82.599  -2.449   4.095
  280   2HG   ARG  36          3HG       ARG  36  81.033  -2.353   4.903
  281   1HD   ARG  36          2HD       ARG  36  81.746  -5.027   5.177
  282   2HD   ARG  36          3HD       ARG  36  83.273  -4.171   5.397
  283    HE   ARG  36           HE       ARG  36  81.345  -4.373   7.394
  284   1HH1  ARG  36          HH21      ARG  36  82.739  -1.802   5.562
  285   2HH1  ARG  36          HH22      ARG  36  82.516  -0.621   6.806
  286   1HH2  ARG  36          HH11      ARG  36  81.057  -2.840   9.026
  287   2HH2  ARG  36          HH12      ARG  36  81.584  -1.211   8.769
  288    H    GLU  37           HN       GLU  37  78.498  -2.924   3.485
  289    HA   GLU  37           HA       GLU  37  78.158   0.008   3.837
  290   1HB   GLU  37          2HB       GLU  37  76.165  -2.259   4.122
  291   2HB   GLU  37          3HB       GLU  37  75.788  -0.546   4.327
  292   1HG   GLU  37          2HG       GLU  37  76.480  -0.111   2.007
  293   2HG   GLU  37          3HG       GLU  37  76.879  -1.816   1.801
  294    H    SER  38           HN       SER  38  77.097   0.559   6.050
  295    HA   SER  38           HA       SER  38  78.796  -0.638   8.119
  296   1HB   SER  38          2HB       SER  38  77.683   0.887   9.660
  297   2HB   SER  38          3HB       SER  38  78.090   1.774   8.197
  298    HG   SER  38           HG       SER  38  75.950   2.175   8.840
  299    H    SER  39           HN       SER  39  76.565  -1.820   6.429
  300    HA   SER  39           HA       SER  39  75.552  -3.946   6.793
  301   1HB   SER  39          2HB       SER  39  75.037  -4.742   8.948
  302   2HB   SER  39          3HB       SER  39  76.486  -3.784   9.223
  303    HG   SER  39           HG       SER  39  74.868  -3.261  10.725
  304    H    LYS  40           HN       LYS  40  74.556  -0.763   7.481
  305    HA   LYS  40           HA       LYS  40  71.666  -1.352   7.401
  306   1HB   LYS  40          2HB       LYS  40  72.663   0.503   8.806
  307   2HB   LYS  40          3HB       LYS  40  73.084   1.327   7.306
  308   1HG   LYS  40          2HG       LYS  40  70.723   1.418   6.660
  309   2HG   LYS  40          3HG       LYS  40  70.271   0.517   8.106
  310   1HD   LYS  40          2HD       LYS  40  71.117   2.316   9.531
  311   2HD   LYS  40          3HD       LYS  40  71.671   3.209   8.117
  312   1HE   LYS  40          2HE       LYS  40  69.345   3.377   7.311
  313   2HE   LYS  40          3HE       LYS  40  68.792   2.483   8.727
  314   1HZ   LYS  40           HZ3      LYS  40  70.246   5.070   8.797
  315   2HZ   LYS  40           HZ2      LYS  40  68.570   4.889   9.002
  316   3HZ   LYS  40           HZ1      LYS  40  69.645   4.227  10.137
  317    H    GLN  41           HN       GLN  41  70.391  -0.984   5.551
  318    HA   GLN  41           HA       GLN  41  71.658  -1.167   3.006
  319   1HB   GLN  41          2HB       GLN  41  69.279  -1.798   3.443
  320   2HB   GLN  41          3HB       GLN  41  68.884  -0.084   3.583
  321   1HG   GLN  41          2HG       GLN  41  68.378  -0.663   1.323
  322   2HG   GLN  41          3HG       GLN  41  69.919   0.193   1.260
  323   1HE2  GLN  41          HE22      GLN  41  70.329  -2.904  -0.761
  324   2HE2  GLN  41          HE21      GLN  41  69.371  -1.508  -0.860
  325    H    GLY  42           HN       GLY  42  70.531   1.659   4.843
  326   1HA   GLY  42          2HA       GLY  42  71.287   3.411   2.586
  327   2HA   GLY  42          3HA       GLY  42  70.473   3.931   4.059
  328    H    CYS  43           HN       CYS  43  73.447   1.985   4.055
  329    HA   CYS  43           HA       CYS  43  74.977   4.425   4.835
  330   1HB   CYS  43          2HB       CYS  43  74.209   3.261   6.912
  331   2HB   CYS  43          3HB       CYS  43  75.076   1.816   6.384
  332    HG   CYS  43           HG       CYS  43  76.465   4.509   7.163
  333    H    TYR  44           HN       TYR  44  77.251   4.274   4.385
  334    HA   TYR  44           HA       TYR  44  78.054   1.858   2.818
  335   1HB   TYR  44          2HB       TYR  44  78.594   4.780   2.212
  336   2HB   TYR  44          3HB       TYR  44  79.347   3.434   1.350
  337    HD1  TYR  44           HD1      TYR  44  78.032   1.963  -0.093
  338    HD2  TYR  44           HD2      TYR  44  76.203   5.265   1.958
  339    HE1  TYR  44           HE1      TYR  44  76.018   1.735  -1.523
  340    HE2  TYR  44           HE2      TYR  44  74.188   5.038   0.528
  341    HH   TYR  44           HH       TYR  44  74.051   3.631  -2.240
  342    H    ALA  45           HN       ALA  45  80.223   1.133   3.190
  343    HA   ALA  45           HA       ALA  45  82.060   2.830   4.708
  344   1HB   ALA  45           HB2      ALA  45  80.852   0.355   5.976
  345   2HB   ALA  45           HB1      ALA  45  82.230   1.246   6.622
  346   3HB   ALA  45           HB3      ALA  45  80.647   2.019   6.527
  347    H    CYS  46           HN       CYS  46  84.134   2.251   4.222
  348    HA   CYS  46           HA       CYS  46  84.488  -0.347   2.825
  349   1HB   CYS  46          2HB       CYS  46  86.587   0.691   1.918
  350   2HB   CYS  46          3HB       CYS  46  85.122   1.527   1.427
  351    HG   CYS  46           HG       CYS  46  86.127   3.546   2.417
  352    H    SER  47           HN       SER  47  85.840  -1.840   3.629
  353    HA   SER  47           HA       SER  47  87.164  -1.193   6.220
  354   1HB   SER  47          2HB       SER  47  86.442  -3.875   5.001
  355   2HB   SER  47          3HB       SER  47  87.172  -3.625   6.586
  356    HG   SER  47           HG       SER  47  85.331  -2.590   7.259
  357    H    VAL  48           HN       VAL  48  89.387  -1.427   6.416
  358    HA   VAL  48           HA       VAL  48  90.850  -2.498   4.037
  359    HB   VAL  48           HB       VAL  48  91.748  -0.148   5.710
  360   1HG1  VAL  48          HG12      VAL  48  92.634  -1.456   3.166
  361   2HG1  VAL  48          HG11      VAL  48  93.035   0.228   3.493
  362   3HG1  VAL  48          HG13      VAL  48  93.584  -1.038   4.589
  363   1HG2  VAL  48          HG21      VAL  48  89.582  -0.165   3.881
  364   2HG2  VAL  48          HG23      VAL  48  90.364   1.239   4.602
  365   3HG2  VAL  48          HG22      VAL  48  90.927   0.607   3.053
  366    H    VAL  49           HN       VAL  49  92.928  -3.420   4.571
  367    HA   VAL  49           HA       VAL  49  93.209  -4.222   7.434
  368    HB   VAL  49           HB       VAL  49  94.589  -5.314   4.978
  369   1HG1  VAL  49          HG12      VAL  49  94.528  -6.219   7.869
  370   2HG1  VAL  49          HG11      VAL  49  95.199  -7.170   6.545
  371   3HG1  VAL  49          HG13      VAL  49  95.929  -5.624   6.975
  372   1HG2  VAL  49          HG23      VAL  49  92.152  -6.188   6.519
  373   2HG2  VAL  49          HG22      VAL  49  92.329  -5.971   4.777
  374   3HG2  VAL  49          HG21      VAL  49  93.101  -7.340   5.579
  375    H    VAL  50           HN       VAL  50  94.754  -3.075   8.581
  376    HA   VAL  50           HA       VAL  50  97.269  -2.374   7.249
  377    HB   VAL  50           HB       VAL  50  95.708  -0.582   6.557
  378   1HG1  VAL  50          HG12      VAL  50  95.151  -0.590   9.435
  379   2HG1  VAL  50          HG11      VAL  50  95.413   1.021   8.776
  380   3HG1  VAL  50          HG13      VAL  50  94.152  -0.014   8.104
  381   1HG2  VAL  50          HG23      VAL  50  98.219  -0.250   7.078
  382   2HG2  VAL  50          HG22      VAL  50  97.219   1.200   6.971
  383   3HG2  VAL  50          HG21      VAL  50  97.665   0.552   8.547
  384    H    ASP  51           HN       ASP  51  98.680  -1.007   8.791
  385    HA   ASP  51           HA       ASP  51  99.849  -1.014  10.826
  386   1HB   ASP  51          2HB       ASP  51  97.982   0.606  11.256
  387   2HB   ASP  51          3HB       ASP  51  97.057  -0.725  11.955
  388    H    GLY  52           HN       GLY  52  98.591  -3.602   9.812
  389   1HA   GLY  52          2HA       GLY  52  98.863  -5.812  10.587
  390   2HA   GLY  52          3HA       GLY  52  99.358  -5.162  12.150
  391    H    GLU  53           HN       GLU  53  96.421  -3.775  11.105
  392    HA   GLU  53           HA       GLU  53  94.823  -5.874  12.483
  393   1HB   GLU  53          2HB       GLU  53  93.691  -4.200  13.866
  394   2HB   GLU  53          3HB       GLU  53  95.427  -4.165  14.182
  395   1HG   GLU  53          2HG       GLU  53  95.570  -2.330  12.410
  396   2HG   GLU  53          3HG       GLU  53  93.810  -2.249  12.494
  397    H    VAL  54           HN       VAL  54  92.499  -5.704  12.054
  398    HA   VAL  54           HA       VAL  54  91.985  -4.789   9.330
  399    HB   VAL  54           HB       VAL  54  90.165  -6.029  11.417
  400   1HG1  VAL  54          HG12      VAL  54  89.684  -5.058   8.605
  401   2HG1  VAL  54          HG11      VAL  54  88.742  -6.395   9.268
  402   3HG1  VAL  54          HG13      VAL  54  88.689  -4.810  10.041
  403   1HG2  VAL  54          HG22      VAL  54  91.710  -7.053   9.040
  404   2HG2  VAL  54          HG21      VAL  54  91.661  -7.697  10.680
  405   3HG2  VAL  54          HG23      VAL  54  90.274  -7.903   9.610
  406    H    LYS  55           HN       LYS  55  90.711  -3.057   8.702
  407    HA   LYS  55           HA       LYS  55  89.839  -1.204  10.884
  408   1HB   LYS  55          2HB       LYS  55  91.414  -0.800   8.431
  409   2HB   LYS  55          3HB       LYS  55  90.118   0.377   8.661
  410   1HG   LYS  55          2HG       LYS  55  92.153   1.173   9.725
  411   2HG   LYS  55          3HG       LYS  55  90.958   0.790  10.962
  412   1HD   LYS  55          2HD       LYS  55  92.035  -1.351  11.395
  413   2HD   LYS  55          3HD       LYS  55  93.161  -1.081  10.070
  414   1HE   LYS  55          2HE       LYS  55  93.486   1.214  11.545
  415   2HE   LYS  55          3HE       LYS  55  93.188   0.019  12.801
  416   1HZ   LYS  55           HZ1      LYS  55  94.882  -1.266  11.144
  417   2HZ   LYS  55           HZ3      LYS  55  95.459   0.328  11.066
  418   3HZ   LYS  55           HZ2      LYS  55  95.337  -0.457  12.569
  419    H    HIS  56           HN       HIS  56  87.895   0.006  10.476
  420    HA   HIS  56           HA       HIS  56  86.206  -1.034   8.244
  421   1HB   HIS  56          2HB       HIS  56  85.380  -0.482  11.108
  422   2HB   HIS  56          3HB       HIS  56  84.238  -0.737   9.792
  423    HD1  HIS  56           HD1      HIS  56  86.180  -2.976   8.441
  424    HD2  HIS  56           HD2      HIS  56  84.608  -2.983  12.295
  425    HE1  HIS  56           HE1      HIS  56  86.123  -5.393   9.185
  426    H    CYS  57           HN       CYS  57  87.125   0.984   7.234
  427    HA   CYS  57           HA       CYS  57  86.506   3.573   8.296
  428   1HB   CYS  57          2HB       CYS  57  88.209   3.155   6.521
  429   2HB   CYS  57          3HB       CYS  57  86.897   2.802   5.406
  430    HG   CYS  57           HG       CYS  57  87.280   5.604   6.730
  431    H    VAL  58           HN       VAL  58  84.725   4.836   8.045
  432    HA   VAL  58           HA       VAL  58  82.353   3.505   6.843
  433    HB   VAL  58           HB       VAL  58  82.815   5.461   9.048
  434   1HG1  VAL  58          HG13      VAL  58  80.430   5.427   7.209
  435   2HG1  VAL  58          HG12      VAL  58  80.285   5.955   8.885
  436   3HG1  VAL  58          HG11      VAL  58  81.359   6.815   7.779
  437   1HG2  VAL  58          HG23      VAL  58  82.219   2.876   9.085
  438   2HG2  VAL  58          HG22      VAL  58  81.509   3.973  10.268
  439   3HG2  VAL  58          HG21      VAL  58  80.578   3.478   8.853
  440    H    ILE  59           HN       ILE  59  81.207   4.484   5.208
  441    HA   ILE  59           HA       ILE  59  82.236   7.108   4.253
  442    HB   ILE  59           HB       ILE  59  81.103   4.821   2.620
  443   1HG1  ILE  59          HG12      ILE  59  83.864   6.090   2.586
  444   2HG1  ILE  59          HG11      ILE  59  83.481   4.563   3.386
  445   1HG2  ILE  59          HG22      ILE  59  81.300   7.682   2.119
  446   2HG2  ILE  59          HG21      ILE  59  82.226   6.756   0.940
  447   3HG2  ILE  59          HG23      ILE  59  80.509   6.431   1.161
  448   1HD1  ILE  59          HD11      ILE  59  82.809   4.996   0.479
  449   2HD1  ILE  59          HD13      ILE  59  84.417   4.460   0.966
  450   3HD1  ILE  59          HD12      ILE  59  83.005   3.474   1.347
  451    H    ASN  60           HN       ASN  60  80.679   8.727   4.191
  452    HA   ASN  60           HA       ASN  60  77.817   7.833   4.285
  453   1HB   ASN  60          2HB       ASN  60  79.138  10.044   5.882
  454   2HB   ASN  60          3HB       ASN  60  77.397   9.763   5.811
  455   1HD2  ASN  60          HD22      ASN  60  79.032   7.884   8.707
  456   2HD2  ASN  60          HD21      ASN  60  79.218   9.486   8.182
  457    H    LYS  61           HN       LYS  61  76.664   8.687   2.634
  458    HA   LYS  61           HA       LYS  61  77.685  11.184   1.354
  459   1HB   LYS  61          2HB       LYS  61  76.581  10.450  -0.665
  460   2HB   LYS  61          3HB       LYS  61  77.543   9.107  -0.045
  461   1HG   LYS  61          2HG       LYS  61  75.469   8.239   1.094
  462   2HG   LYS  61          3HG       LYS  61  74.553   9.484   0.247
  463   1HD   LYS  61          2HD       LYS  61  76.335   7.572  -1.253
  464   2HD   LYS  61          3HD       LYS  61  74.667   7.157  -0.852
  465   1HE   LYS  61          2HE       LYS  61  73.897   9.233  -1.971
  466   2HE   LYS  61          3HE       LYS  61  75.565   9.592  -2.417
  467   1HZ   LYS  61           HZ1      LYS  61  74.991   6.962  -3.169
  468   2HZ   LYS  61           HZ3      LYS  61  73.743   7.950  -3.745
  469   3HZ   LYS  61           HZ2      LYS  61  75.353   8.287  -4.166
  470    H    THR  62           HN       THR  62  76.483  12.976   1.718
  471    HA   THR  62           HA       THR  62  73.553  12.640   2.208
  472    HB   THR  62           HB       THR  62  75.276  14.690   3.612
  473    HG1  THR  62           HG1      THR  62  74.715  12.017   4.212
  474   1HG2  THR  62          HG21      THR  62  72.491  13.599   4.108
  475   2HG2  THR  62          HG23      THR  62  73.304  14.804   5.110
  476   3HG2  THR  62          HG22      THR  62  72.883  15.185   3.440
  477    H    ALA  63           HN       ALA  63  72.974  13.430   0.126
  478    HA   ALA  63           HA       ALA  63  72.703  15.048  -1.569
  479   1HB   ALA  63           HB3      ALA  63  71.918  16.257   0.621
  480   2HB   ALA  63           HB2      ALA  63  73.445  17.128   0.483
  481   3HB   ALA  63           HB1      ALA  63  72.253  17.233  -0.811
  482    H    THR  64           HN       THR  64  75.090  16.864   0.342
  483    HA   THR  64           HA       THR  64  77.002  16.540  -1.922
  484    HB   THR  64           HB       THR  64  77.949  18.686  -1.123
  485    HG1  THR  64           HG1      THR  64  75.896  19.500   0.349
  486   1HG2  THR  64          HG21      THR  64  75.120  18.420  -2.013
  487   2HG2  THR  64          HG23      THR  64  75.694  20.028  -1.559
  488   3HG2  THR  64          HG22      THR  64  76.499  19.137  -2.850
  489    H    GLY  65           HN       GLY  65  76.417  14.960   0.650
  490   1HA   GLY  65          2HA       GLY  65  78.968  15.321   2.100
  491   2HA   GLY  65          3HA       GLY  65  77.628  14.295   2.614
  492    H    TYR  66           HN       TYR  66  79.965  13.124   2.804
  493    HA   TYR  66           HA       TYR  66  79.841  10.868   1.011
  494   1HB   TYR  66          2HB       TYR  66  82.217  12.754   0.739
  495   2HB   TYR  66          3HB       TYR  66  82.131  11.131   0.053
  496    HD1  TYR  66           HD1      TYR  66  80.225  10.593  -1.548
  497    HD2  TYR  66           HD2      TYR  66  81.281  14.604  -0.433
  498    HE1  TYR  66           HE1      TYR  66  79.000  11.462  -3.517
  499    HE2  TYR  66           HE2      TYR  66  80.052  15.477  -2.406
  500    HH   TYR  66           HH       TYR  66  79.378  14.457  -4.753
  501    H    GLY  67           HN       GLY  67  82.470   9.901   1.447
  502   1HA   GLY  67          2HA       GLY  67  82.278   9.237   4.276
  503   2HA   GLY  67          3HA       GLY  67  83.547   8.691   3.177
  504    H    PHE  68           HN       PHE  68  84.652  10.995   2.289
  505    HA   PHE  68           HA       PHE  68  85.621  12.253   4.811
  506   1HB   PHE  68          2HB       PHE  68  87.037  11.790   2.170
  507   2HB   PHE  68          3HB       PHE  68  87.729  12.674   3.530
  508    HD1  PHE  68           HD1      PHE  68  86.675   9.331   2.308
  509    HD2  PHE  68           HD2      PHE  68  88.388  11.548   5.569
  510    HE1  PHE  68           HE1      PHE  68  87.418   7.211   3.362
  511    HE2  PHE  68           HE2      PHE  68  89.130   9.430   6.614
  512    HZ   PHE  68           HZ       PHE  68  88.654   7.263   5.519
  513    H    ALA  69           HN       ALA  69  85.159  14.406   5.020
  514    HA   ALA  69           HA       ALA  69  84.649  15.968   2.513
  515   1HB   ALA  69           HB3      ALA  69  82.573  15.402   3.883
  516   2HB   ALA  69           HB2      ALA  69  83.239  16.429   5.153
  517   3HB   ALA  69           HB1      ALA  69  82.836  17.120   3.582
  518    H    GLU  70           HN       GLU  70  86.679  15.606   5.079
  519    HA   GLU  70           HA       GLU  70  87.008  18.267   6.048
  520   1HB   GLU  70          2HB       GLU  70  87.944  16.227   7.128
  521   2HB   GLU  70          3HB       GLU  70  89.127  16.118   5.834
  522   1HG   GLU  70          2HG       GLU  70  90.119  18.202   6.425
  523   2HG   GLU  70          3HG       GLU  70  88.797  18.589   7.531
  524    HA   PRO  71           HA       PRO  71  90.140  18.876   2.502
  525   1HB   PRO  71          2HB       PRO  71  90.095  17.086   0.424
  526   2HB   PRO  71          3HB       PRO  71  91.112  16.889   1.858
  527   1HG   PRO  71          2HG       PRO  71  88.728  15.418   1.058
  528   2HG   PRO  71          3HG       PRO  71  89.984  14.979   2.224
  529   1HD   PRO  71          2HD       PRO  71  87.355  16.010   2.772
  530   2HD   PRO  71          3HD       PRO  71  88.619  15.568   3.927
  531    H    TYR  72           HN       TYR  72  89.865  19.980   0.376
  532    HA   TYR  72           HA       TYR  72  87.009  20.452  -0.232
  533   1HB   TYR  72          2HB       TYR  72  88.498  22.403  -0.130
  534   2HB   TYR  72          3HB       TYR  72  89.541  21.698  -1.364
  535    HD1  TYR  72           HD1      TYR  72  85.968  22.666  -0.776
  536    HD2  TYR  72           HD2      TYR  72  89.156  22.207  -3.619
  537    HE1  TYR  72           HE1      TYR  72  84.537  23.653  -2.538
  538    HE2  TYR  72           HE2      TYR  72  87.721  23.197  -5.387
  539    HH   TYR  72           HH       TYR  72  85.753  24.704  -5.521
  540    H    ASN  73           HN       ASN  73  87.288  17.931  -0.895
  541    HA   ASN  73           HA       ASN  73  88.151  17.817  -3.743
  542   1HB   ASN  73          2HB       ASN  73  89.089  16.152  -2.119
  543   2HB   ASN  73          3HB       ASN  73  87.456  15.517  -1.904
  544   1HD2  ASN  73          HD22      ASN  73  87.634  14.849  -5.700
  545   2HD2  ASN  73          HD21      ASN  73  86.863  16.107  -4.869
  546    H    LEU  74           HN       LEU  74  85.382  16.779  -1.675
  547    HA   LEU  74           HA       LEU  74  83.146  16.375  -2.330
  548   1HB   LEU  74          2HB       LEU  74  83.933  18.372  -4.480
  549   2HB   LEU  74          3HB       LEU  74  82.279  17.900  -4.088
  550    HG   LEU  74           HG       LEU  74  84.226  19.192  -2.156
  551   1HD1  LEU  74          HD11      LEU  74  83.316  20.627  -4.055
  552   2HD1  LEU  74          HD13      LEU  74  81.711  20.360  -3.376
  553   3HD1  LEU  74          HD12      LEU  74  82.944  21.198  -2.431
  554   1HD2  LEU  74          HD23      LEU  74  81.475  18.027  -1.940
  555   2HD2  LEU  74          HD22      LEU  74  82.795  18.000  -0.771
  556   3HD2  LEU  74          HD21      LEU  74  81.844  19.468  -0.993
  557    H    TYR  75           HN       TYR  75  84.243  14.187  -2.999
  558    HA   TYR  75           HA       TYR  75  84.942  13.550  -5.642
  559   1HB   TYR  75          2HB       TYR  75  83.413  11.810  -3.684
  560   2HB   TYR  75          3HB       TYR  75  84.288  11.233  -5.104
  561    HD1  TYR  75           HD1      TYR  75  86.775  11.645  -5.265
  562    HD2  TYR  75           HD2      TYR  75  84.545  12.296  -1.656
  563    HE1  TYR  75           HE1      TYR  75  88.885  11.634  -3.964
  564    HE2  TYR  75           HE2      TYR  75  86.653  12.280  -0.350
  565    HH   TYR  75           HH       TYR  75  89.715  12.509  -1.810
  566    H    SER  76           HN       SER  76  83.814  13.523  -7.506
  567    HA   SER  76           HA       SER  76  81.009  14.224  -7.547
  568   1HB   SER  76          2HB       SER  76  82.914  13.314  -9.711
  569   2HB   SER  76          3HB       SER  76  81.252  13.800 -10.025
  570    HG   SER  76           HG       SER  76  81.751  15.827  -9.600
  571    H    SER  77           HN       SER  77  82.816  11.192  -7.940
  572    HA   SER  77           HA       SER  77  80.236   9.727  -7.677
  573   1HB   SER  77          2HB       SER  77  80.738   8.281  -9.547
  574   2HB   SER  77          3HB       SER  77  80.853   9.947 -10.112
  575    HG   SER  77           HG       SER  77  83.180   8.999  -9.036
  576    H    LEU  78           HN       LEU  78  80.542   7.480  -6.995
  577    HA   LEU  78           HA       LEU  78  82.502   7.130  -4.959
  578   1HB   LEU  78          2HB       LEU  78  80.870   5.090  -6.500
  579   2HB   LEU  78          3HB       LEU  78  81.820   4.718  -5.059
  580    HG   LEU  78           HG       LEU  78  79.654   6.833  -5.143
  581   1HD1  LEU  78          HD13      LEU  78  79.587   3.921  -4.325
  582   2HD1  LEU  78          HD12      LEU  78  78.410   5.091  -3.732
  583   3HD1  LEU  78          HD11      LEU  78  78.522   4.751  -5.459
  584   1HD2  LEU  78          HD22      LEU  78  81.522   5.710  -3.092
  585   2HD2  LEU  78          HD21      LEU  78  80.980   7.373  -3.322
  586   3HD2  LEU  78          HD23      LEU  78  79.905   6.193  -2.568
  587    H    LYS  79           HN       LYS  79  82.526   6.195  -8.386
  588    HA   LYS  79           HA       LYS  79  84.771   4.466  -8.328
  589   1HB   LYS  79          2HB       LYS  79  83.297   4.911 -10.338
  590   2HB   LYS  79          3HB       LYS  79  84.149   6.443 -10.546
  591   1HG   LYS  79          2HG       LYS  79  86.295   5.223 -10.715
  592   2HG   LYS  79          3HG       LYS  79  85.434   3.695 -10.549
  593   1HD   LYS  79          2HD       LYS  79  84.750   5.677 -12.723
  594   2HD   LYS  79          3HD       LYS  79  86.006   4.461 -12.942
  595   1HE   LYS  79          2HE       LYS  79  84.290   2.712 -12.298
  596   2HE   LYS  79          3HE       LYS  79  83.068   3.985 -12.374
  597   1HZ   LYS  79           HZ1      LYS  79  84.808   3.888 -14.665
  598   2HZ   LYS  79           HZ3      LYS  79  83.870   2.489 -14.469
  599   3HZ   LYS  79           HZ2      LYS  79  83.114   4.006 -14.593
  600    H    GLU  80           HN       GLU  80  84.616   8.017  -8.545
  601    HA   GLU  80           HA       GLU  80  87.473   8.333  -8.817
  602   1HB   GLU  80          2HB       GLU  80  85.780  10.092  -9.428
  603   2HB   GLU  80          3HB       GLU  80  85.482  10.336  -7.707
  604   1HG   GLU  80          2HG       GLU  80  87.871  10.889  -7.381
  605   2HG   GLU  80          3HG       GLU  80  88.151  10.675  -9.110
  606    H    LEU  81           HN       LEU  81  85.257   8.130  -6.066
  607    HA   LEU  81           HA       LEU  81  87.043   9.012  -4.043
  608   1HB   LEU  81          2HB       LEU  81  84.643   8.696  -3.637
  609   2HB   LEU  81          3HB       LEU  81  84.819   6.956  -3.859
  610    HG   LEU  81           HG       LEU  81  84.785   7.834  -1.432
  611   1HD1  LEU  81          HD11      LEU  81  85.956   5.639  -2.556
  612   2HD1  LEU  81          HD13      LEU  81  87.339   6.380  -1.754
  613   3HD1  LEU  81          HD12      LEU  81  85.910   5.949  -0.821
  614   1HD2  LEU  81          HD21      LEU  81  86.435   9.711  -2.086
  615   2HD2  LEU  81          HD23      LEU  81  86.728   8.867  -0.571
  616   3HD2  LEU  81          HD22      LEU  81  87.682   8.468  -1.994
  617    H    VAL  82           HN       VAL  82  86.429   5.671  -5.181
  618    HA   VAL  82           HA       VAL  82  88.370   4.496  -3.430
  619    HB   VAL  82           HB       VAL  82  86.481   3.381  -4.849
  620   1HG1  VAL  82          HG12      VAL  82  87.682   4.320  -6.976
  621   2HG1  VAL  82          HG11      VAL  82  88.726   2.910  -6.782
  622   3HG1  VAL  82          HG13      VAL  82  86.991   2.696  -7.017
  623   1HG2  VAL  82          HG21      VAL  82  88.336   2.310  -3.371
  624   2HG2  VAL  82          HG23      VAL  82  87.512   1.289  -4.549
  625   3HG2  VAL  82          HG22      VAL  82  89.116   1.924  -4.905
  626    H    LEU  83           HN       LEU  83  88.580   5.817  -6.713
  627    HA   LEU  83           HA       LEU  83  91.277   4.955  -7.233
  628   1HB   LEU  83          2HB       LEU  83  89.763   5.640  -9.032
  629   2HB   LEU  83          3HB       LEU  83  89.693   7.272  -8.374
  630    HG   LEU  83           HG       LEU  83  92.187   7.432  -8.687
  631   1HD1  LEU  83          HD11      LEU  83  91.694   4.667  -9.658
  632   2HD1  LEU  83          HD13      LEU  83  92.832   5.634 -10.598
  633   3HD1  LEU  83          HD12      LEU  83  93.123   5.348  -8.881
  634   1HD2  LEU  83          HD23      LEU  83  90.319   8.139 -10.377
  635   2HD2  LEU  83          HD22      LEU  83  91.987   8.078 -10.945
  636   3HD2  LEU  83          HD21      LEU  83  90.879   6.759 -11.321
  637    H    HIS  84           HN       HIS  84  89.963   8.056  -6.033
  638    HA   HIS  84           HA       HIS  84  92.472   9.387  -5.893
  639   1HB   HIS  84          2HB       HIS  84  90.261  10.520  -5.707
  640   2HB   HIS  84          3HB       HIS  84  90.059   9.805  -4.109
  641    HD1  HIS  84           HD1      HIS  84  92.452  12.137  -5.965
  642    HD2  HIS  84           HD2      HIS  84  91.270  11.234  -2.068
  643    HE1  HIS  84           HE1      HIS  84  93.597  13.819  -4.454
  644    H    TYR  85           HN       TYR  85  90.797   7.349  -3.486
  645    HA   TYR  85           HA       TYR  85  92.761   7.818  -1.423
  646   1HB   TYR  85          2HB       TYR  85  90.413   6.064  -1.785
  647   2HB   TYR  85          3HB       TYR  85  91.661   5.437  -0.708
  648    HD1  TYR  85           HD2      TYR  85  90.866   8.999  -1.381
  649    HD2  TYR  85           HD1      TYR  85  90.659   5.767   1.434
  650    HE1  TYR  85           HE2      TYR  85  90.191  10.593   0.393
  651    HE2  TYR  85           HE1      TYR  85  89.975   7.355   3.211
  652    HH   TYR  85           HH       TYR  85  90.321  10.671   2.930
  653    H    GLN  86           HN       GLN  86  92.654   5.660  -4.141
  654    HA   GLN  86           HA       GLN  86  94.492   3.664  -3.224
  655   1HB   GLN  86          2HB       GLN  86  93.489   3.064  -5.222
  656   2HB   GLN  86          3HB       GLN  86  93.550   4.700  -5.871
  657   1HG   GLN  86          2HG       GLN  86  95.093   3.162  -7.059
  658   2HG   GLN  86          3HG       GLN  86  95.951   4.483  -6.273
  659   1HE2  GLN  86          HE22      GLN  86  97.533   1.099  -5.512
  660   2HE2  GLN  86          HE21      GLN  86  97.007   1.795  -6.970
  661    H    HIS  87           HN       HIS  87  94.894   6.973  -4.187
  662    HA   HIS  87           HA       HIS  87  97.851   6.632  -4.349
  663   1HB   HIS  87          2HB       HIS  87  96.673   7.898  -6.167
  664   2HB   HIS  87          3HB       HIS  87  96.164   9.083  -4.967
  665    HD1  HIS  87           HD1      HIS  87  98.088  10.552  -3.862
  666    HD2  HIS  87           HD2      HIS  87  99.333   8.142  -7.024
  667    HE1  HIS  87           HE1      HIS  87 100.382  11.386  -4.545
  668    H    THR  88           HN       THR  88  95.279   8.204  -2.517
  669    HA   THR  88           HA       THR  88  97.144   9.649  -0.761
  670    HB   THR  88           HB       THR  88  94.165   9.165  -0.434
  671    HG1  THR  88           HG1      THR  88  93.893  10.640  -1.882
  672   1HG2  THR  88          HG21      THR  88  95.910  10.124   1.410
  673   2HG2  THR  88          HG23      THR  88  95.494  11.616   0.563
  674   3HG2  THR  88          HG22      THR  88  94.226  10.638   1.303
  675    H    SER  89           HN       SER  89  97.700   9.077   1.318
  676    HA   SER  89           HA       SER  89  97.199   6.242   2.041
  677   1HB   SER  89          2HB       SER  89  99.183   8.325   2.930
  678   2HB   SER  89          3HB       SER  89  98.993   6.805   3.801
  679    HG   SER  89           HG       SER  89  99.430   6.970   1.001
  680    H    LEU  90           HN       LEU  90  95.843   5.707   3.669
  681    HA   LEU  90           HA       LEU  90  94.198   7.675   4.941
  682   1HB   LEU  90          2HB       LEU  90  94.631   4.749   5.572
  683   2HB   LEU  90          3HB       LEU  90  93.360   5.744   6.281
  684    HG   LEU  90           HG       LEU  90  93.466   6.037   3.382
  685   1HD1  LEU  90          HD11      LEU  90  93.360   3.291   4.577
  686   2HD1  LEU  90          HD13      LEU  90  92.305   3.660   3.212
  687   3HD1  LEU  90          HD12      LEU  90  94.051   3.824   3.042
  688   1HD2  LEU  90          HD21      LEU  90  91.385   5.212   5.420
  689   2HD2  LEU  90          HD23      LEU  90  91.571   6.792   4.657
  690   3HD2  LEU  90          HD22      LEU  90  91.035   5.408   3.704
  691    H    VAL  91           HN       VAL  91  97.381   6.689   5.768
  692    HA   VAL  91           HA       VAL  91  98.129   6.523   8.244
  693    HB   VAL  91           HB       VAL  91  99.545   7.752   6.658
  694   1HG1  VAL  91          HG11      VAL  91  97.566   9.314   6.036
  695   2HG1  VAL  91          HG13      VAL  91  98.058  10.257   7.442
  696   3HG1  VAL  91          HG12      VAL  91  99.180  10.021   6.106
  697   1HG2  VAL  91          HG22      VAL  91  99.111   9.200   9.290
  698   2HG2  VAL  91          HG21      VAL  91 100.151   7.801   9.042
  699   3HG2  VAL  91          HG23      VAL  91 100.551   9.340   8.283
  700    H    GLN  92           HN       GLN  92  96.348   9.534   7.449
  701    HA   GLN  92           HA       GLN  92  96.075  10.759   9.866
  702   1HB   GLN  92          2HB       GLN  92  94.861  11.355   7.720
  703   2HB   GLN  92          3HB       GLN  92  93.655  10.142   8.153
  704   1HG   GLN  92          2HG       GLN  92  93.226  11.330  10.277
  705   2HG   GLN  92          3HG       GLN  92  94.419  12.552   9.833
  706   1HE2  GLN  92          HE22      GLN  92  90.957  13.692   8.796
  707   2HE2  GLN  92          HE21      GLN  92  91.596  13.144  10.270
  708    H    HIS  93           HN       HIS  93  94.880  10.492  11.761
  709    HA   HIS  93           HA       HIS  93  93.215   9.402  13.151
  710   1HB   HIS  93          2HB       HIS  93  92.540   7.942  11.160
  711   2HB   HIS  93          3HB       HIS  93  93.818   6.832  11.674
  712    HD1  HIS  93           HD1      HIS  93  90.966   5.813  11.838
  713    HD2  HIS  93           HD2      HIS  93  92.820   7.821  14.984
  714    HE1  HIS  93           HE1      HIS  93  89.703   5.174  13.935
  715    H    ASN  94           HN       ASN  94  94.466   6.346  13.184
  716    HA   ASN  94           HA       ASN  94  95.982   6.846  15.598
  717   1HB   ASN  94          2HB       ASN  94  95.830   4.357  13.879
  718   2HB   ASN  94          3HB       ASN  94  96.481   4.431  15.514
  719   1HD2  ASN  94          HD22      ASN  94  93.104   5.179  16.863
  720   2HD2  ASN  94          HD21      ASN  94  94.639   5.901  16.932
  721    H    ASP  95           HN       ASP  95  96.804   7.820  12.720
  722    HA   ASP  95           HA       ASP  95  98.821   8.334  11.661
  723   1HB   ASP  95          2HB       ASP  95  99.903   7.483  14.366
  724   2HB   ASP  95          3HB       ASP  95 100.909   8.140  13.077
  725    H    SER  96           HN       SER  96  97.805   5.295  12.295
  726    HA   SER  96           HA       SER  96 100.178   4.102  10.925
  727   1HB   SER  96          2HB       SER  96  98.130   2.600  12.591
  728   2HB   SER  96          3HB       SER  96  99.643   1.969  11.944
  729    HG   SER  96           HG       SER  96 100.689   3.605  13.260
  730    H    LEU  97           HN       LEU  97  97.333   5.333  10.220
  731    HA   LEU  97           HA       LEU  97  96.216   3.140   8.608
  732   1HB   LEU  97          2HB       LEU  97  95.511   6.088   8.851
  733   2HB   LEU  97          3HB       LEU  97  94.619   4.932   7.863
  734    HG   LEU  97           HG       LEU  97  93.560   5.265  10.085
  735   1HD1  LEU  97          HD11      LEU  97  93.903   2.939   8.752
  736   2HD1  LEU  97          HD13      LEU  97  94.652   2.519  10.293
  737   3HD1  LEU  97          HD12      LEU  97  92.977   3.071  10.247
  738   1HD2  LEU  97          HD21      LEU  97  95.956   5.560  11.144
  739   2HD2  LEU  97          HD23      LEU  97  94.661   4.835  12.095
  740   3HD2  LEU  97          HD22      LEU  97  95.874   3.809  11.330
  741    H    ASN  98           HN       ASN  98  98.987   4.219   8.195
  742    HA   ASN  98           HA       ASN  98  98.966   5.749   5.728
  743   1HB   ASN  98          2HB       ASN  98 100.834   5.733   7.435
  744   2HB   ASN  98          3HB       ASN  98 101.225   4.099   6.897
  745   1HD2  ASN  98          HD22      ASN  98 101.707   7.080   4.094
  746   2HD2  ASN  98          HD21      ASN  98 100.363   7.130   5.131
  747    H    VAL  99           HN       VAL  99  97.431   4.272   4.693
  748    HA   VAL  99           HA       VAL  99  98.838   2.244   3.064
  749    HB   VAL  99           HB       VAL  99  97.850   0.941   4.892
  750   1HG1  VAL  99          HG13      VAL  99  95.303   2.387   4.103
  751   2HG1  VAL  99          HG12      VAL  99  95.358   1.028   5.211
  752   3HG1  VAL  99          HG11      VAL  99  96.151   2.541   5.636
  753   1HG2  VAL  99          HG23      VAL  99  96.187   0.783   2.359
  754   2HG2  VAL  99          HG22      VAL  99  97.740  -0.009   2.618
  755   3HG2  VAL  99          HG21      VAL  99  96.334  -0.491   3.569
  756    H    THR 100           HN       THR 100  97.588   1.799   1.087
  757    HA   THR 100           HA       THR 100  95.507   3.905   0.585
  758    HB   THR 100           HB       THR 100  96.389   4.289  -1.601
  759    HG1  THR 100           HG1      THR 100  98.448   2.866  -1.955
  760   1HG2  THR 100          HG22      THR 100  98.027   4.559   0.724
  761   2HG2  THR 100          HG21      THR 100  99.075   4.116  -0.625
  762   3HG2  THR 100          HG23      THR 100  98.042   5.541  -0.740
  763    H    LEU 101           HN       LEU 101  93.935   3.264  -1.100
  764    HA   LEU 101           HA       LEU 101  93.252   0.426  -0.829
  765   1HB   LEU 101          2HB       LEU 101  91.923   2.527  -2.576
  766   2HB   LEU 101          3HB       LEU 101  91.221   1.008  -2.027
  767    HG   LEU 101           HG       LEU 101  92.036   3.331  -0.249
  768   1HD1  LEU 101          HD13      LEU 101  89.960   3.591  -1.692
  769   2HD1  LEU 101          HD12      LEU 101  89.277   2.221  -0.816
  770   3HD1  LEU 101          HD11      LEU 101  89.680   3.707   0.046
  771   1HD2  LEU 101          HD21      LEU 101  91.469   0.521   0.287
  772   2HD2  LEU 101          HD23      LEU 101  92.123   1.747   1.364
  773   3HD2  LEU 101          HD22      LEU 101  90.379   1.587   1.163
  774    H    ALA 102           HN       ALA 102  95.420  -0.098  -1.892
  775    HA   ALA 102           HA       ALA 102  95.385   0.277  -4.828
  776   1HB   ALA 102           HB3      ALA 102  97.455   0.707  -3.458
  777   2HB   ALA 102           HB2      ALA 102  97.524  -1.029  -3.132
  778   3HB   ALA 102           HB1      ALA 102  97.687  -0.434  -4.786
  779    H    TYR 103           HN       TYR 103  94.967  -2.316  -2.461
  780    HA   TYR 103           HA       TYR 103  94.887  -4.236  -4.752
  781   1HB   TYR 103          2HB       TYR 103  95.494  -4.638  -1.826
  782   2HB   TYR 103          3HB       TYR 103  95.183  -5.980  -2.926
  783    HD1  TYR 103           HD1      TYR 103  96.737  -6.515  -4.726
  784    HD2  TYR 103           HD2      TYR 103  97.506  -3.263  -2.027
  785    HE1  TYR 103           HE1      TYR 103  99.082  -6.417  -5.517
  786    HE2  TYR 103           HE2      TYR 103  99.855  -3.164  -2.819
  787    HH   TYR 103           HH       TYR 103 101.170  -5.601  -4.974
  788    HA   PRO 104           HA       PRO 104  90.409  -4.101  -3.814
  789   1HB   PRO 104          2HB       PRO 104  90.319  -6.084  -5.996
  790   2HB   PRO 104          3HB       PRO 104  89.491  -4.527  -5.857
  791   1HG   PRO 104          2HG       PRO 104  91.551  -4.985  -7.555
  792   2HG   PRO 104          3HG       PRO 104  91.168  -3.392  -6.874
  793   1HD   PRO 104          2HD       PRO 104  93.394  -5.241  -6.192
  794   2HD   PRO 104          3HD       PRO 104  93.303  -3.473  -6.042
  795    H    VAL 105           HN       VAL 105  89.145  -5.612  -2.677
  796    HA   VAL 105           HA       VAL 105  90.541  -7.895  -1.576
  797    HB   VAL 105           HB       VAL 105  88.891  -6.710  -0.250
  798   1HG1  VAL 105          HG12      VAL 105  87.195  -7.231  -2.639
  799   2HG1  VAL 105          HG11      VAL 105  86.390  -7.351  -1.075
  800   3HG1  VAL 105          HG13      VAL 105  87.202  -5.857  -1.538
  801   1HG2  VAL 105          HG21      VAL 105  89.136  -9.426  -0.416
  802   2HG2  VAL 105          HG23      VAL 105  88.156  -8.603   0.796
  803   3HG2  VAL 105          HG22      VAL 105  87.403  -9.236  -0.665
  804    H    TYR 106           HN       TYR 106  88.247  -7.389  -4.169
  805    HA   TYR 106           HA       TYR 106  88.292 -10.321  -4.716
  806   1HB   TYR 106          2HB       TYR 106  86.303  -8.187  -5.517
  807   2HB   TYR 106          3HB       TYR 106  86.239  -9.852  -6.092
  808    HD1  TYR 106           HD1      TYR 106  86.302 -11.715  -4.224
  809    HD2  TYR 106           HD2      TYR 106  85.207  -7.617  -3.525
  810    HE1  TYR 106           HE1      TYR 106  85.122 -12.381  -2.148
  811    HE2  TYR 106           HE2      TYR 106  84.033  -8.288  -1.449
  812    HH   TYR 106           HH       TYR 106  84.345 -11.450  -0.087
  813    H    ALA 107           HN       ALA 107  90.408  -8.401  -5.464
  814    HA   ALA 107           HA       ALA 107  90.411  -7.411  -8.037
  815   1HB   ALA 107           HB1      ALA 107  92.486  -8.849  -6.423
  816   2HB   ALA 107           HB3      ALA 107  92.835  -8.475  -8.110
  817   3HB   ALA 107           HB2      ALA 107  92.463  -7.176  -6.978
  818    H    GLN 108           HN       GLN 108  90.024  -8.261 -10.040
  819    HA   GLN 108           HA       GLN 108  90.235 -11.229 -10.355
  820   1HB   GLN 108          2HB       GLN 108  87.859 -10.422 -10.193
  821   2HB   GLN 108          3HB       GLN 108  88.146  -9.446 -11.636
  822   1HG   GLN 108          2HG       GLN 108  88.705 -11.472 -12.913
  823   2HG   GLN 108          3HG       GLN 108  88.455 -12.458 -11.471
  824   1HE2  GLN 108          HE22      GLN 108  85.157 -12.835 -12.813
  825   2HE2  GLN 108          HE21      GLN 108  86.671 -13.590 -12.662
  826    H    GLN 109           HN       GLN 109  91.241 -11.923 -12.242
  827    HA   GLN 109           HA       GLN 109  92.701  -9.930 -13.788
  828   1HB   GLN 109          2HB       GLN 109  92.366 -12.926 -14.174
  829   2HB   GLN 109          3HB       GLN 109  93.448 -11.913 -15.132
  830   1HG   GLN 109          2HG       GLN 109  94.687 -11.272 -13.136
  831   2HG   GLN 109          3HG       GLN 109  93.553 -12.160 -12.112
  832   1HE2  GLN 109          HE22      GLN 109  95.776 -14.888 -12.345
  833   2HE2  GLN 109          HE21      GLN 109  95.040 -13.741 -11.332
  834    H    ARG 110           HN       ARG 110  92.358  -9.407 -16.004
  835    HA   ARG 110           HA       ARG 110  89.601  -9.229 -16.786
  836   1HB   ARG 110          2HB       ARG 110  91.485  -7.676 -17.508
  837   2HB   ARG 110          3HB       ARG 110  91.991  -8.937 -18.631
  838   1HG   ARG 110          2HG       ARG 110  89.680  -8.917 -19.603
  839   2HG   ARG 110          3HG       ARG 110  89.302  -7.528 -18.579
  840   1HD   ARG 110          2HD       ARG 110  91.707  -6.816 -19.766
  841   2HD   ARG 110          3HD       ARG 110  90.861  -7.648 -21.066
  842    HE   ARG 110           HE       ARG 110  90.326  -5.022 -20.368
  843   1HH1  ARG 110          HH21      ARG 110  88.534  -7.975 -20.258
  844   2HH1  ARG 110          HH22      ARG 110  87.005  -7.195 -20.460
  845   1HH2  ARG 110          HH11      ARG 110  88.348  -4.002 -20.591
  846   2HH2  ARG 110          HH12      ARG 110  86.898  -4.949 -20.659
  847    H    ARG 111           HN       ARG 111  88.388 -10.515 -18.103
  848    HA   ARG 111           HA       ARG 111  89.493 -13.159 -18.802
  849   1HB   ARG 111          2HB       ARG 111  87.188 -12.869 -17.799
  850   2HB   ARG 111          3HB       ARG 111  86.704 -12.077 -19.301
  851   1HG   ARG 111          2HG       ARG 111  87.275 -14.090 -20.583
  852   2HG   ARG 111          3HG       ARG 111  87.826 -14.890 -19.110
  853   1HD   ARG 111          2HD       ARG 111  85.018 -13.815 -19.425
  854   2HD   ARG 111          3HD       ARG 111  85.457 -15.468 -19.847
  855    HE   ARG 111           HE       ARG 111  86.388 -15.189 -17.260
  856   1HH1  ARG 111          HH21      ARG 111  83.425 -14.683 -18.932
  857   2HH1  ARG 111          HH22      ARG 111  82.430 -15.026 -17.558
  858   1HH2  ARG 111          HH11      ARG 111  85.106 -15.659 -15.447
  859   2HH2  ARG 111          HH12      ARG 111  83.379 -15.572 -15.583
   
  No H/Q in entry =         859
  Start of MODEL    6
    1   1H    GLU   1           HT1      GLU   1  95.732  -2.823 -19.553
    2   2H    GLU   1           HT3      GLU   1  97.319  -3.266 -19.959
    3   3H    GLU   1           HT2      GLU   1  96.408  -4.241 -18.906
    4    HA   GLU   1           HA       GLU   1  97.511  -3.169 -17.293
    5   1HB   GLU   1          2HB       GLU   1  97.888  -0.989 -19.363
    6   2HB   GLU   1          3HB       GLU   1  98.466  -0.856 -17.702
    7   1HG   GLU   1          2HG       GLU   1  99.236  -3.035 -19.662
    8   2HG   GLU   1          3HG       GLU   1 100.256  -1.678 -19.176
    9    H    ASP   2           HN       ASP   2  94.618  -2.969 -18.065
   10    HA   ASP   2           HA       ASP   2  93.693  -0.335 -17.334
   11   1HB   ASP   2          2HB       ASP   2  91.485  -1.361 -17.232
   12   2HB   ASP   2          3HB       ASP   2  92.345  -1.999 -18.635
   13    H    LEU   3           HN       LEU   3  92.386   0.080 -15.340
   14    HA   LEU   3           HA       LEU   3  93.736  -1.117 -12.972
   15   1HB   LEU   3          2HB       LEU   3  91.977   1.345 -13.262
   16   2HB   LEU   3          3HB       LEU   3  92.752   0.828 -11.765
   17    HG   LEU   3           HG       LEU   3  94.298   1.389 -14.306
   18   1HD1  LEU   3          HD13      LEU   3  93.676   3.219 -11.973
   19   2HD1  LEU   3          HD12      LEU   3  94.900   3.554 -13.198
   20   3HD1  LEU   3          HD11      LEU   3  93.199   3.454 -13.654
   21   1HD2  LEU   3          HD21      LEU   3  95.002   0.940 -11.400
   22   2HD2  LEU   3          HD23      LEU   3  95.591   0.058 -12.809
   23   3HD2  LEU   3          HD22      LEU   3  96.125   1.714 -12.517
   24    HA   PRO   4           HA       PRO   4  90.013  -3.479 -12.340
   25   1HB   PRO   4          2HB       PRO   4  90.451  -4.259  -9.748
   26   2HB   PRO   4          3HB       PRO   4  91.228  -5.016 -11.149
   27   1HG   PRO   4          2HG       PRO   4  92.323  -3.082  -9.193
   28   2HG   PRO   4          3HG       PRO   4  93.131  -4.387 -10.076
   29   1HD   PRO   4          2HD       PRO   4  93.314  -1.697 -10.735
   30   2HD   PRO   4          3HD       PRO   4  93.632  -3.032 -11.864
   31    H    HIS   5           HN       HIS   5  90.765  -0.595 -10.870
   32    HA   HIS   5           HA       HIS   5  88.635  -0.459  -8.913
   33   1HB   HIS   5          2HB       HIS   5  90.212   1.745 -10.278
   34   2HB   HIS   5          3HB       HIS   5  89.152   1.969  -8.885
   35    HD1  HIS   5           HD1      HIS   5  90.051   1.304  -6.595
   36    HD2  HIS   5           HD2      HIS   5  92.578   0.141  -9.700
   37    HE1  HIS   5           HE1      HIS   5  92.159   0.409  -5.511
   38    H    HIS   6           HN       HIS   6  88.837  -0.036 -12.358
   39    HA   HIS   6           HA       HIS   6  86.581   1.676 -12.731
   40   1HB   HIS   6          2HB       HIS   6  87.742  -0.510 -14.480
   41   2HB   HIS   6          3HB       HIS   6  86.411   0.529 -14.991
   42    HD1  HIS   6           HD1      HIS   6  86.948   3.163 -15.064
   43    HD2  HIS   6           HD2      HIS   6  90.266   0.668 -14.690
   44    HE1  HIS   6           HE1      HIS   6  88.971   4.570 -15.650
   45    H    ASP   7           HN       ASP   7  86.822  -1.781 -12.058
   46    HA   ASP   7           HA       ASP   7  83.921  -2.123 -12.478
   47   1HB   ASP   7          2HB       ASP   7  86.052  -4.090 -11.605
   48   2HB   ASP   7          3HB       ASP   7  84.365  -4.497 -11.912
   49    H    GLU   8           HN       GLU   8  82.469  -2.126 -10.836
   50    HA   GLU   8           HA       GLU   8  83.243  -1.335  -8.177
   51   1HB   GLU   8          2HB       GLU   8  81.063  -0.757  -9.265
   52   2HB   GLU   8          3HB       GLU   8  80.592  -2.452  -9.122
   53   1HG   GLU   8          2HG       GLU   8  80.618  -2.376  -6.761
   54   2HG   GLU   8          3HG       GLU   8  81.508  -0.857  -6.737
   55    H    LYS   9           HN       LYS   9  82.479  -4.358  -9.723
   56    HA   LYS   9           HA       LYS   9  82.029  -5.979  -7.441
   57   1HB   LYS   9          2HB       LYS   9  81.431  -6.717  -9.651
   58   2HB   LYS   9          3HB       LYS   9  83.100  -6.608 -10.198
   59   1HG   LYS   9          2HG       LYS   9  83.012  -8.296  -7.883
   60   2HG   LYS   9          3HG       LYS   9  81.787  -8.844  -9.024
   61   1HD   LYS   9          2HD       LYS   9  83.838  -9.958  -9.617
   62   2HD   LYS   9          3HD       LYS   9  83.554  -8.709 -10.831
   63   1HE   LYS   9          2HE       LYS   9  85.148  -7.227  -9.822
   64   2HE   LYS   9          3HE       LYS   9  85.262  -8.242  -8.386
   65   1HZ   LYS   9           HZ3      LYS   9  86.111 -10.030  -9.870
   66   2HZ   LYS   9           HZ2      LYS   9  86.199  -8.884 -11.122
   67   3HZ   LYS   9           HZ1      LYS   9  87.141  -8.693  -9.722
   68    H    THR  10           HN       THR  10  85.086  -4.860  -8.803
   69    HA   THR  10           HA       THR  10  86.725  -6.879  -7.548
   70    HB   THR  10           HB       THR  10  88.567  -5.189  -7.946
   71    HG1  THR  10           HG1      THR  10  88.020  -3.312  -8.929
   72   1HG2  THR  10          HG21      THR  10  87.869  -6.928  -9.590
   73   2HG2  THR  10          HG23      THR  10  86.733  -5.771 -10.286
   74   3HG2  THR  10          HG22      THR  10  88.469  -5.461 -10.366
   75    H    TRP  11           HN       TRP  11  85.362  -3.884  -6.276
   76    HA   TRP  11           HA       TRP  11  86.869  -4.461  -3.745
   77   1HB   TRP  11          2HB       TRP  11  86.029  -1.839  -3.503
   78   2HB   TRP  11          3HB       TRP  11  87.653  -2.342  -3.973
   79    HD1  TRP  11           HD1      TRP  11  87.856  -2.884  -6.747
   80    HE1  TRP  11           HE1      TRP  11  86.923  -1.458  -8.680
   81    HE3  TRP  11           HE3      TRP  11  84.370  -0.187  -4.204
   82    HZ2  TRP  11           HZ2      TRP  11  84.946   0.603  -9.077
   83    HZ3  TRP  11           HZ3      TRP  11  82.974   1.490  -5.361
   84    HH2  TRP  11           HH2      TRP  11  83.257   1.897  -7.794
   85    H    ASN  12           HN       ASN  12  83.788  -3.722  -5.235
   86    HA   ASN  12           HA       ASN  12  82.397  -3.449  -2.682
   87   1HB   ASN  12          2HB       ASN  12  81.610  -2.356  -4.798
   88   2HB   ASN  12          3HB       ASN  12  81.213  -3.964  -5.415
   89   1HD2  ASN  12          HD22      ASN  12  78.010  -3.356  -3.981
   90   2HD2  ASN  12          HD21      ASN  12  78.890  -3.454  -5.429
   91    H    VAL  13           HN       VAL  13  81.735  -5.155  -1.438
   92    HA   VAL  13           HA       VAL  13  81.803  -7.870  -2.661
   93    HB   VAL  13           HB       VAL  13  81.620  -7.054   0.258
   94   1HG1  VAL  13          HG12      VAL  13  81.898  -9.724  -1.146
   95   2HG1  VAL  13          HG11      VAL  13  82.317  -9.496   0.552
   96   3HG1  VAL  13          HG13      VAL  13  80.661  -9.233   0.010
   97   1HG2  VAL  13          HG21      VAL  13  83.781  -6.557  -1.081
   98   2HG2  VAL  13          HG23      VAL  13  83.945  -7.473   0.416
   99   3HG2  VAL  13          HG22      VAL  13  83.988  -8.307  -1.139
  100    H    GLY  14           HN       GLY  14  79.583  -5.463  -2.054
  101   1HA   GLY  14          2HA       GLY  14  77.233  -5.586  -2.356
  102   2HA   GLY  14          3HA       GLY  14  77.350  -7.345  -2.336
  103    H    SER  15           HN       SER  15  75.659  -7.600  -0.783
  104    HA   SER  15           HA       SER  15  75.855  -6.199   1.785
  105   1HB   SER  15          2HB       SER  15  74.014  -8.413   0.836
  106   2HB   SER  15          3HB       SER  15  73.856  -7.567   2.373
  107    HG   SER  15           HG       SER  15  73.781  -6.411  -0.225
  108    H    SER  16           HN       SER  16  77.599  -6.879   2.987
  109    HA   SER  16           HA       SER  16  77.777  -9.814   3.551
  110   1HB   SER  16          2HB       SER  16  79.717  -8.978   2.214
  111   2HB   SER  16          3HB       SER  16  80.064  -7.821   3.498
  112    HG   SER  16           HG       SER  16  80.620  -9.445   4.826
  113    H    ASN  17           HN       ASN  17  78.138 -10.369   5.749
  114    HA   ASN  17           HA       ASN  17  77.349  -8.318   7.692
  115   1HB   ASN  17          2HB       ASN  17  77.467 -10.142   9.335
  116   2HB   ASN  17          3HB       ASN  17  76.582 -10.687   7.909
  117   1HD2  ASN  17          HD22      ASN  17  78.855 -13.473   8.295
  118   2HD2  ASN  17          HD21      ASN  17  77.320 -12.928   8.771
  119    H    ARG  18           HN       ARG  18  78.714  -7.682   9.508
  120    HA   ARG  18           HA       ARG  18  81.398  -7.035   8.786
  121   1HB   ARG  18          2HB       ARG  18  79.985  -7.138  11.460
  122   2HB   ARG  18          3HB       ARG  18  81.637  -6.544  11.269
  123   1HG   ARG  18          2HG       ARG  18  80.814  -4.952   9.537
  124   2HG   ARG  18          3HG       ARG  18  79.166  -5.468   9.894
  125   1HD   ARG  18          2HD       ARG  18  79.801  -4.895  12.363
  126   2HD   ARG  18          3HD       ARG  18  81.079  -3.933  11.620
  127    HE   ARG  18           HE       ARG  18  78.823  -3.144  10.248
  128   1HH1  ARG  18          HH21      ARG  18  79.715  -3.504  13.548
  129   2HH1  ARG  18          HH22      ARG  18  78.740  -2.186  14.104
  130   1HH2  ARG  18          HH11      ARG  18  77.576  -1.389  10.926
  131   2HH2  ARG  18          HH12      ARG  18  77.536  -0.966  12.604
  132    H    ASN  19           HN       ASN  19  80.057  -9.770  10.583
  133    HA   ASN  19           HA       ASN  19  82.503 -10.860  11.559
  134   1HB   ASN  19          2HB       ASN  19  79.884 -12.138  10.732
  135   2HB   ASN  19          3HB       ASN  19  81.208 -13.061  11.449
  136   1HD2  ASN  19          HD22      ASN  19  80.921 -10.897  14.511
  137   2HD2  ASN  19          HD21      ASN  19  82.132 -11.119  13.342
  138    H    LYS  20           HN       LYS  20  80.817 -11.340   8.434
  139    HA   LYS  20           HA       LYS  20  82.742 -13.236   7.423
  140   1HB   LYS  20          2HB       LYS  20  80.457 -12.960   6.450
  141   2HB   LYS  20          3HB       LYS  20  80.941 -11.375   5.843
  142   1HG   LYS  20          2HG       LYS  20  82.676 -12.370   4.463
  143   2HG   LYS  20          3HG       LYS  20  82.361 -13.962   5.160
  144   1HD   LYS  20          2HD       LYS  20  79.998 -13.780   4.279
  145   2HD   LYS  20          3HD       LYS  20  80.500 -12.324   3.424
  146   1HE   LYS  20          2HE       LYS  20  82.338 -13.703   2.356
  147   2HE   LYS  20          3HE       LYS  20  81.568 -15.129   3.052
  148   1HZ   LYS  20           HZ3      LYS  20  79.800 -13.336   1.619
  149   2HZ   LYS  20           HZ2      LYS  20  80.955 -14.129   0.660
  150   3HZ   LYS  20           HZ1      LYS  20  79.874 -15.032   1.609
  151    H    ALA  21           HN       ALA  21  82.454  -9.716   7.273
  152    HA   ALA  21           HA       ALA  21  84.586  -9.259   5.419
  153   1HB   ALA  21           HB2      ALA  21  83.039  -7.646   7.365
  154   2HB   ALA  21           HB1      ALA  21  84.651  -7.036   6.994
  155   3HB   ALA  21           HB3      ALA  21  83.481  -7.280   5.696
  156    H    GLU  22           HN       GLU  22  84.509  -9.883   8.870
  157    HA   GLU  22           HA       GLU  22  87.156  -9.061   9.527
  158   1HB   GLU  22          2HB       GLU  22  85.416  -9.769  11.199
  159   2HB   GLU  22          3HB       GLU  22  85.628 -11.433  10.655
  160   1HG   GLU  22          2HG       GLU  22  88.101 -11.167  11.191
  161   2HG   GLU  22          3HG       GLU  22  87.675  -9.658  11.999
  162    H    ASN  23           HN       ASN  23  85.877 -12.222   8.480
  163    HA   ASN  23           HA       ASN  23  88.359 -13.590   8.353
  164   1HB   ASN  23          2HB       ASN  23  85.830 -13.898   6.708
  165   2HB   ASN  23          3HB       ASN  23  87.186 -15.023   6.625
  166   1HD2  ASN  23          HD22      ASN  23  86.683 -16.048  10.121
  167   2HD2  ASN  23          HD21      ASN  23  87.963 -15.528   9.136
  168    H    LEU  24           HN       LEU  24  86.703 -11.497   6.022
  169    HA   LEU  24           HA       LEU  24  88.668 -11.874   3.929
  170   1HB   LEU  24          2HB       LEU  24  86.585  -9.734   4.434
  171   2HB   LEU  24          3HB       LEU  24  87.617  -9.756   3.002
  172    HG   LEU  24           HG       LEU  24  85.789 -12.023   3.854
  173   1HD1  LEU  24          HD13      LEU  24  85.072  -9.600   2.693
  174   2HD1  LEU  24          HD12      LEU  24  85.234 -10.686   1.314
  175   3HD1  LEU  24          HD11      LEU  24  84.133 -11.092   2.628
  176   1HD2  LEU  24          HD22      LEU  24  87.815 -11.636   1.696
  177   2HD2  LEU  24          HD21      LEU  24  87.375 -13.102   2.571
  178   3HD2  LEU  24          HD23      LEU  24  86.337 -12.503   1.275
  179    H    LEU  25           HN       LEU  25  88.402  -9.822   6.752
  180    HA   LEU  25           HA       LEU  25  90.721  -8.183   5.857
  181   1HB   LEU  25          2HB       LEU  25  88.986  -7.984   8.345
  182   2HB   LEU  25          3HB       LEU  25  90.252  -6.845   7.883
  183    HG   LEU  25           HG       LEU  25  87.998  -7.481   5.986
  184   1HD1  LEU  25          HD13      LEU  25  87.153  -6.711   8.278
  185   2HD1  LEU  25          HD12      LEU  25  87.979  -5.188   7.956
  186   3HD1  LEU  25          HD11      LEU  25  86.672  -5.722   6.901
  187   1HD2  LEU  25          HD23      LEU  25  89.806  -5.079   6.415
  188   2HD2  LEU  25          HD22      LEU  25  89.937  -6.257   5.107
  189   3HD2  LEU  25          HD21      LEU  25  88.538  -5.184   5.196
  190    H    ARG  26           HN       ARG  26  90.091 -11.019   7.594
  191    HA   ARG  26           HA       ARG  26  92.394 -10.706   9.418
  192   1HB   ARG  26          2HB       ARG  26  91.047 -12.019  10.689
  193   2HB   ARG  26          3HB       ARG  26  89.993 -12.368   9.321
  194   1HG   ARG  26          2HG       ARG  26  91.411 -14.169   8.593
  195   2HG   ARG  26          3HG       ARG  26  92.660 -13.737   9.760
  196   1HD   ARG  26          2HD       ARG  26  90.448 -14.068  11.372
  197   2HD   ARG  26          3HD       ARG  26  90.208 -15.310  10.141
  198    HE   ARG  26           HE       ARG  26  92.845 -15.652  10.848
  199   1HH1  ARG  26          HH21      ARG  26  89.862 -15.382  12.566
  200   2HH1  ARG  26          HH22      ARG  26  90.357 -16.432  13.851
  201   1HH2  ARG  26          HH11      ARG  26  93.500 -17.024  12.518
  202   2HH2  ARG  26          HH12      ARG  26  92.418 -17.347  13.832
  203    H    GLY  27           HN       GLY  27  94.394 -11.361   8.837
  204   1HA   GLY  27          2HA       GLY  27  96.080 -12.631   7.793
  205   2HA   GLY  27          3HA       GLY  27  94.830 -13.771   7.286
  206    H    LYS  28           HN       LYS  28  94.359 -10.440   6.553
  207    HA   LYS  28           HA       LYS  28  94.842 -11.081   3.683
  208   1HB   LYS  28          2HB       LYS  28  92.547 -10.286   4.499
  209   2HB   LYS  28          3HB       LYS  28  93.301  -8.717   4.779
  210   1HG   LYS  28          2HG       LYS  28  92.439  -8.502   2.602
  211   2HG   LYS  28          3HG       LYS  28  94.123  -8.934   2.311
  212   1HD   LYS  28          2HD       LYS  28  93.550 -11.231   1.892
  213   2HD   LYS  28          3HD       LYS  28  91.897 -10.984   2.459
  214   1HE   LYS  28          2HE       LYS  28  91.446  -9.493   0.574
  215   2HE   LYS  28          3HE       LYS  28  93.114  -9.649   0.019
  216   1HZ   LYS  28           HZ3      LYS  28  92.253 -12.217   0.328
  217   2HZ   LYS  28           HZ2      LYS  28  90.905 -11.426  -0.339
  218   3HZ   LYS  28           HZ1      LYS  28  92.401 -11.386  -1.144
  219    H    ARG  29           HN       ARG  29  96.558 -10.147   2.729
  220    HA   ARG  29           HA       ARG  29  98.487  -8.631   4.121
  221   1HB   ARG  29          2HB       ARG  29  97.980  -8.785   1.135
  222   2HB   ARG  29          3HB       ARG  29  99.449  -8.149   1.877
  223   1HG   ARG  29          2HG       ARG  29 100.061 -10.253   2.761
  224   2HG   ARG  29          3HG       ARG  29  98.440 -10.912   2.534
  225   1HD   ARG  29          2HD       ARG  29  99.947 -11.812   0.831
  226   2HD   ARG  29          3HD       ARG  29  98.745 -10.767   0.073
  227    HE   ARG  29           HE       ARG  29 100.874  -9.062   0.521
  228   1HH1  ARG  29          HH21      ARG  29 100.404 -12.144  -0.946
  229   2HH1  ARG  29          HH22      ARG  29 101.692 -11.952  -2.090
  230   1HH2  ARG  29          HH11      ARG  29 102.579  -8.794  -0.976
  231   2HH2  ARG  29          HH12      ARG  29 102.926 -10.066  -2.099
  232    H    ASP  30           HN       ASP  30  98.954  -6.436   4.220
  233    HA   ASP  30           HA       ASP  30  96.848  -4.554   4.303
  234   1HB   ASP  30          2HB       ASP  30  98.618  -2.840   4.326
  235   2HB   ASP  30          3HB       ASP  30  99.053  -4.199   5.366
  236    H    GLY  31           HN       GLY  31  96.353  -2.772   2.813
  237   1HA   GLY  31          2HA       GLY  31  96.567  -1.683   0.644
  238   2HA   GLY  31          3HA       GLY  31  97.295  -3.163   0.014
  239    H    THR  32           HN       THR  32  95.282  -4.876   1.309
  240    HA   THR  32           HA       THR  32  93.239  -4.700  -0.778
  241    HB   THR  32           HB       THR  32  93.512  -6.610   1.559
  242    HG1  THR  32           HG1      THR  32  95.014  -7.422   0.365
  243   1HG2  THR  32          HG22      THR  32  91.422  -6.175  -0.388
  244   2HG2  THR  32          HG21      THR  32  92.127  -7.778  -0.596
  245   3HG2  THR  32          HG23      THR  32  91.460  -7.305   0.967
  246    H    PHE  33           HN       PHE  33  91.281  -3.671  -0.523
  247    HA   PHE  33           HA       PHE  33  90.306  -3.318   2.273
  248   1HB   PHE  33          2HB       PHE  33  90.043  -1.035   2.134
  249   2HB   PHE  33          3HB       PHE  33  91.443  -1.205   1.081
  250    HD1  PHE  33           HD1      PHE  33  90.646  -1.923  -1.482
  251    HD2  PHE  33           HD2      PHE  33  88.383   0.341   1.383
  252    HE1  PHE  33           HE1      PHE  33  89.315  -0.900  -3.308
  253    HE2  PHE  33           HE2      PHE  33  87.062   1.343  -0.463
  254    HZ   PHE  33           HZ       PHE  33  87.528   0.719  -2.791
  255    H    LEU  34           HN       LEU  34  87.992  -3.111   2.429
  256    HA   LEU  34           HA       LEU  34  86.625  -4.320   0.065
  257   1HB   LEU  34          2HB       LEU  34  85.371  -4.152   2.785
  258   2HB   LEU  34          3HB       LEU  34  85.129  -5.353   1.523
  259    HG   LEU  34           HG       LEU  34  87.664  -5.053   3.167
  260   1HD1  LEU  34          HD12      LEU  34  85.121  -6.431   3.627
  261   2HD1  LEU  34          HD11      LEU  34  86.499  -7.536   3.659
  262   3HD1  LEU  34          HD13      LEU  34  86.458  -6.144   4.742
  263   1HD2  LEU  34          HD23      LEU  34  86.957  -6.542   0.750
  264   2HD2  LEU  34          HD22      LEU  34  88.543  -6.268   1.478
  265   3HD2  LEU  34          HD21      LEU  34  87.530  -7.594   2.044
  266    H    VAL  35           HN       VAL  35  84.234  -3.741  -0.014
  267    HA   VAL  35           HA       VAL  35  83.577  -1.024   0.900
  268    HB   VAL  35           HB       VAL  35  83.623  -1.815  -2.030
  269   1HG1  VAL  35          HG13      VAL  35  81.999   0.139  -0.544
  270   2HG1  VAL  35          HG12      VAL  35  82.877   0.836  -1.905
  271   3HG1  VAL  35          HG11      VAL  35  81.765  -0.508  -2.166
  272   1HG2  VAL  35          HG21      VAL  35  85.010   0.322  -0.395
  273   2HG2  VAL  35          HG23      VAL  35  85.768  -1.043  -1.214
  274   3HG2  VAL  35          HG22      VAL  35  85.046   0.262  -2.157
  275    H    ARG  36           HN       ARG  36  81.711  -1.504   1.972
  276    HA   ARG  36           HA       ARG  36  79.617  -2.997   0.487
  277   1HB   ARG  36          2HB       ARG  36  79.200  -4.499   2.363
  278   2HB   ARG  36          3HB       ARG  36  80.872  -4.666   1.838
  279   1HG   ARG  36          2HG       ARG  36  81.698  -3.867   3.796
  280   2HG   ARG  36          3HG       ARG  36  80.476  -2.602   3.911
  281   1HD   ARG  36          2HD       ARG  36  78.819  -4.471   4.491
  282   2HD   ARG  36          3HD       ARG  36  80.228  -5.505   4.708
  283    HE   ARG  36           HE       ARG  36  80.760  -3.251   6.256
  284   1HH1  ARG  36          HH21      ARG  36  78.286  -5.624   5.946
  285   2HH1  ARG  36          HH22      ARG  36  77.786  -5.518   7.601
  286   1HH2  ARG  36          HH11      ARG  36  80.132  -3.095   8.424
  287   2HH2  ARG  36          HH12      ARG  36  78.829  -4.077   9.003
  288    H    GLU  37           HN       GLU  37  77.562  -3.059   2.141
  289    HA   GLU  37           HA       GLU  37  77.155  -0.224   2.870
  290   1HB   GLU  37          2HB       GLU  37  74.789  -1.065   3.264
  291   2HB   GLU  37          3HB       GLU  37  75.361  -1.226   1.604
  292   1HG   GLU  37          2HG       GLU  37  75.874  -3.558   1.933
  293   2HG   GLU  37          3HG       GLU  37  75.568  -3.431   3.663
  294    H    SER  38           HN       SER  38  75.809  -0.005   5.034
  295    HA   SER  38           HA       SER  38  77.389  -1.329   7.124
  296   1HB   SER  38          2HB       SER  38  74.943   0.468   7.312
  297   2HB   SER  38          3HB       SER  38  75.902  -0.077   8.687
  298    HG   SER  38           HG       SER  38  76.982   1.686   8.257
  299    H    SER  39           HN       SER  39  75.532  -2.575   5.096
  300    HA   SER  39           HA       SER  39  74.111  -4.385   4.956
  301   1HB   SER  39          2HB       SER  39  74.748  -4.689   7.910
  302   2HB   SER  39          3HB       SER  39  74.021  -5.919   6.878
  303    HG   SER  39           HG       SER  39  75.907  -6.287   5.978
  304    H    LYS  40           HN       LYS  40  73.624  -2.631   8.043
  305    HA   LYS  40           HA       LYS  40  70.682  -2.784   7.585
  306   1HB   LYS  40          2HB       LYS  40  71.557  -3.492   9.828
  307   2HB   LYS  40          3HB       LYS  40  72.174  -1.856  10.066
  308   1HG   LYS  40          2HG       LYS  40  69.926  -0.933   9.926
  309   2HG   LYS  40          3HG       LYS  40  69.263  -2.513   9.514
  310   1HD   LYS  40          2HD       LYS  40  70.018  -3.384  11.713
  311   2HD   LYS  40          3HD       LYS  40  70.618  -1.779  12.128
  312   1HE   LYS  40          2HE       LYS  40  68.429  -2.028  13.126
  313   2HE   LYS  40          3HE       LYS  40  68.287  -0.890  11.786
  314   1HZ   LYS  40           HZ1      LYS  40  67.920  -3.531  10.854
  315   2HZ   LYS  40           HZ3      LYS  40  66.874  -3.246  12.159
  316   3HZ   LYS  40           HZ2      LYS  40  66.837  -2.223  10.805
  317    H    GLN  41           HN       GLN  41  69.632  -0.978   6.900
  318    HA   GLN  41           HA       GLN  41  69.195   1.353   6.681
  319   1HB   GLN  41          2HB       GLN  41  70.888   1.433   8.762
  320   2HB   GLN  41          3HB       GLN  41  71.947   2.121   7.532
  321   1HG   GLN  41          2HG       GLN  41  70.397   3.881   7.056
  322   2HG   GLN  41          3HG       GLN  41  69.131   3.112   8.006
  323   1HE2  GLN  41          HE22      GLN  41  71.848   3.933  10.778
  324   2HE2  GLN  41          HE21      GLN  41  71.884   2.566   9.772
  325    H    GLY  42           HN       GLY  42  70.671   3.279   5.509
  326   1HA   GLY  42          2HA       GLY  42  71.773   1.908   3.102
  327   2HA   GLY  42          3HA       GLY  42  71.037   3.508   3.086
  328    H    CYS  43           HN       CYS  43  73.345   2.460   5.547
  329    HA   CYS  43           HA       CYS  43  75.075   4.719   4.778
  330   1HB   CYS  43          2HB       CYS  43  75.265   2.718   7.049
  331   2HB   CYS  43          3HB       CYS  43  76.374   4.068   6.813
  332    HG   CYS  43           HG       CYS  43  74.406   5.718   7.223
  333    H    TYR  44           HN       TYR  44  77.339   4.431   4.269
  334    HA   TYR  44           HA       TYR  44  77.956   1.707   3.206
  335   1HB   TYR  44          2HB       TYR  44  78.481   4.418   1.971
  336   2HB   TYR  44          3HB       TYR  44  79.230   2.928   1.392
  337    HD1  TYR  44           HD2      TYR  44  75.977   4.628   2.001
  338    HD2  TYR  44           HD1      TYR  44  78.014   1.391   0.044
  339    HE1  TYR  44           HE2      TYR  44  73.923   4.113   0.712
  340    HE2  TYR  44           HE1      TYR  44  75.957   0.876  -1.241
  341    HH   TYR  44           HH       TYR  44  73.672   2.716  -1.855
  342    H    ALA  45           HN       ALA  45  80.156   1.031   3.410
  343    HA   ALA  45           HA       ALA  45  82.059   2.898   4.657
  344   1HB   ALA  45           HB3      ALA  45  80.783   1.994   6.591
  345   2HB   ALA  45           HB2      ALA  45  81.215   0.359   6.086
  346   3HB   ALA  45           HB1      ALA  45  82.471   1.481   6.614
  347    H    CYS  46           HN       CYS  46  84.206   2.220   4.305
  348    HA   CYS  46           HA       CYS  46  84.445  -0.292   2.708
  349   1HB   CYS  46          2HB       CYS  46  86.350   2.061   2.597
  350   2HB   CYS  46          3HB       CYS  46  86.253   0.699   1.474
  351    HG   CYS  46           HG       CYS  46  83.907   1.628   0.679
  352    H    SER  47           HN       SER  47  85.641  -1.850   3.622
  353    HA   SER  47           HA       SER  47  87.064  -1.246   6.141
  354   1HB   SER  47          2HB       SER  47  86.642  -3.875   4.692
  355   2HB   SER  47          3HB       SER  47  87.321  -3.697   6.304
  356    HG   SER  47           HG       SER  47  84.703  -3.255   5.387
  357    H    VAL  48           HN       VAL  48  89.265  -1.048   6.270
  358    HA   VAL  48           HA       VAL  48  90.833  -1.951   3.899
  359    HB   VAL  48           HB       VAL  48  91.469   0.188   3.553
  360   1HG1  VAL  48          HG13      VAL  48  90.013   0.798   6.142
  361   2HG1  VAL  48          HG12      VAL  48  90.604   2.017   5.012
  362   3HG1  VAL  48          HG11      VAL  48  89.342   0.890   4.514
  363   1HG2  VAL  48          HG21      VAL  48  92.468   0.066   6.422
  364   2HG2  VAL  48          HG23      VAL  48  93.392  -0.340   4.978
  365   3HG2  VAL  48          HG22      VAL  48  92.888   1.322   5.263
  366    H    VAL  49           HN       VAL  49  92.772  -2.981   4.341
  367    HA   VAL  49           HA       VAL  49  93.251  -3.581   7.226
  368    HB   VAL  49           HB       VAL  49  94.238  -5.113   4.829
  369   1HG1  VAL  49          HG12      VAL  49  94.456  -5.341   7.767
  370   2HG1  VAL  49          HG11      VAL  49  94.104  -6.845   6.916
  371   3HG1  VAL  49          HG13      VAL  49  95.550  -5.916   6.511
  372   1HG2  VAL  49          HG21      VAL  49  91.723  -5.012   5.016
  373   2HG2  VAL  49          HG23      VAL  49  92.399  -6.636   5.151
  374   3HG2  VAL  49          HG22      VAL  49  91.879  -5.772   6.600
  375    H    VAL  50           HN       VAL  50  95.110  -2.781   8.104
  376    HA   VAL  50           HA       VAL  50  97.202  -1.872   6.183
  377    HB   VAL  50           HB       VAL  50  96.039  -0.158   7.711
  378   1HG1  VAL  50          HG13      VAL  50  96.345  -1.856   9.680
  379   2HG1  VAL  50          HG12      VAL  50  97.947  -1.143   9.807
  380   3HG1  VAL  50          HG11      VAL  50  96.514  -0.133   9.995
  381   1HG2  VAL  50          HG22      VAL  50  98.735  -0.442   6.843
  382   2HG2  VAL  50          HG21      VAL  50  97.867   1.045   7.205
  383   3HG2  VAL  50          HG23      VAL  50  98.784   0.238   8.470
  384    H    ASP  51           HN       ASP  51  99.417  -2.040   6.959
  385    HA   ASP  51           HA       ASP  51 100.039  -4.681   7.864
  386   1HB   ASP  51          2HB       ASP  51 101.537  -3.331   6.414
  387   2HB   ASP  51          3HB       ASP  51 101.808  -2.214   7.753
  388    H    GLY  52           HN       GLY  52  98.416  -4.080   9.813
  389   1HA   GLY  52          2HA       GLY  52  99.832  -4.382  12.201
  390   2HA   GLY  52          3HA       GLY  52  99.593  -2.648  12.030
  391    H    GLU  53           HN       GLU  53  96.921  -2.836  10.777
  392    HA   GLU  53           HA       GLU  53  95.311  -4.325  12.742
  393   1HB   GLU  53          2HB       GLU  53  95.881  -2.273  13.963
  394   2HB   GLU  53          3HB       GLU  53  95.240  -1.301  12.631
  395   1HG   GLU  53          2HG       GLU  53  93.027  -2.334  12.936
  396   2HG   GLU  53          3HG       GLU  53  93.654  -3.291  14.277
  397    H    VAL  54           HN       VAL  54  93.210  -4.682  12.076
  398    HA   VAL  54           HA       VAL  54  92.527  -4.007   9.319
  399    HB   VAL  54           HB       VAL  54  90.491  -5.316   9.844
  400   1HG1  VAL  54          HG13      VAL  54  93.099  -6.538  10.783
  401   2HG1  VAL  54          HG12      VAL  54  91.654  -7.460  10.359
  402   3HG1  VAL  54          HG11      VAL  54  92.489  -6.514   9.127
  403   1HG2  VAL  54          HG21      VAL  54  91.662  -5.166  12.612
  404   2HG2  VAL  54          HG23      VAL  54  90.020  -4.779  12.101
  405   3HG2  VAL  54          HG22      VAL  54  90.552  -6.460  12.164
  406    H    LYS  55           HN       LYS  55  91.164  -2.276   8.782
  407    HA   LYS  55           HA       LYS  55  89.943  -0.842  11.099
  408   1HB   LYS  55          2HB       LYS  55  91.163   0.351   8.608
  409   2HB   LYS  55          3HB       LYS  55  90.381   1.261   9.900
  410   1HG   LYS  55          2HG       LYS  55  92.355   1.332  10.967
  411   2HG   LYS  55          3HG       LYS  55  92.242  -0.414  11.189
  412   1HD   LYS  55          2HD       LYS  55  94.281  -0.184  10.055
  413   2HD   LYS  55          3HD       LYS  55  93.154  -0.525   8.740
  414   1HE   LYS  55          2HE       LYS  55  94.061   2.229   9.626
  415   2HE   LYS  55          3HE       LYS  55  94.587   1.395   8.167
  416   1HZ   LYS  55           HZ3      LYS  55  91.788   2.163   8.797
  417   2HZ   LYS  55           HZ2      LYS  55  92.811   2.967   7.700
  418   3HZ   LYS  55           HZ1      LYS  55  92.306   1.376   7.388
  419    H    HIS  56           HN       HIS  56  88.100   0.501  10.583
  420    HA   HIS  56           HA       HIS  56  86.566  -0.507   8.230
  421   1HB   HIS  56          2HB       HIS  56  85.705   0.020  11.068
  422   2HB   HIS  56          3HB       HIS  56  84.538   0.057   9.749
  423    HD1  HIS  56           HD1      HIS  56  86.008  -2.241  12.088
  424    HD2  HIS  56           HD2      HIS  56  84.781  -2.491   8.119
  425    HE1  HIS  56           HE1      HIS  56  85.700  -4.710  11.582
  426    H    CYS  57           HN       CYS  57  86.850   1.209   6.838
  427    HA   CYS  57           HA       CYS  57  86.591   3.971   7.833
  428   1HB   CYS  57          2HB       CYS  57  88.230   3.432   6.046
  429   2HB   CYS  57          3HB       CYS  57  86.899   2.947   4.994
  430    HG   CYS  57           HG       CYS  57  87.276   5.871   6.042
  431    H    VAL  58           HN       VAL  58  84.722   5.066   7.822
  432    HA   VAL  58           HA       VAL  58  82.334   3.716   6.716
  433    HB   VAL  58           HB       VAL  58  82.840   5.878   8.737
  434   1HG1  VAL  58          HG12      VAL  58  80.377   5.479   7.068
  435   2HG1  VAL  58          HG11      VAL  58  80.198   5.933   8.765
  436   3HG1  VAL  58          HG13      VAL  58  81.094   6.979   7.663
  437   1HG2  VAL  58          HG21      VAL  58  82.552   3.263   9.075
  438   2HG2  VAL  58          HG23      VAL  58  81.823   4.399  10.214
  439   3HG2  VAL  58          HG22      VAL  58  80.837   3.657   8.952
  440    H    ILE  59           HN       ILE  59  81.165   4.502   5.037
  441    HA   ILE  59           HA       ILE  59  82.110   7.014   3.741
  442    HB   ILE  59           HB       ILE  59  80.518   4.705   2.586
  443   1HG1  ILE  59          HG12      ILE  59  82.860   4.092   3.057
  444   2HG1  ILE  59          HG11      ILE  59  82.579   4.202   1.321
  445   1HG2  ILE  59          HG23      ILE  59  80.400   7.242   1.718
  446   2HG2  ILE  59          HG22      ILE  59  81.870   6.739   0.882
  447   3HG2  ILE  59          HG21      ILE  59  80.357   5.869   0.612
  448   1HD1  ILE  59          HD12      ILE  59  83.371   6.689   1.640
  449   2HD1  ILE  59          HD11      ILE  59  84.102   6.065   3.118
  450   3HD1  ILE  59          HD13      ILE  59  84.566   5.395   1.553
  451    H    ASN  60           HN       ASN  60  80.700   8.737   3.814
  452    HA   ASN  60           HA       ASN  60  77.883   8.135   4.644
  453   1HB   ASN  60          2HB       ASN  60  79.662  10.510   5.227
  454   2HB   ASN  60          3HB       ASN  60  77.926  10.508   5.548
  455   1HD2  ASN  60          HD22      ASN  60  78.914   7.402   7.705
  456   2HD2  ASN  60          HD21      ASN  60  78.392   7.410   6.090
  457    H    LYS  61           HN       LYS  61  76.492   8.422   2.990
  458    HA   LYS  61           HA       LYS  61  77.186  10.385   0.869
  459   1HB   LYS  61          2HB       LYS  61  75.135   8.163   0.988
  460   2HB   LYS  61          3HB       LYS  61  75.279   9.290  -0.362
  461   1HG   LYS  61          2HG       LYS  61  77.841   8.542  -0.213
  462   2HG   LYS  61          3HG       LYS  61  77.114   7.089   0.479
  463   1HD   LYS  61          2HD       LYS  61  75.591   6.964  -1.497
  464   2HD   LYS  61          3HD       LYS  61  76.450   8.335  -2.204
  465   1HE   LYS  61          2HE       LYS  61  77.911   6.861  -3.075
  466   2HE   LYS  61          3HE       LYS  61  78.465   6.541  -1.431
  467   1HZ   LYS  61           HZ2      LYS  61  76.296   5.053  -1.466
  468   2HZ   LYS  61           HZ1      LYS  61  76.669   4.993  -3.120
  469   3HZ   LYS  61           HZ3      LYS  61  77.807   4.468  -1.976
  470    H    THR  62           HN       THR  62  76.271  12.348   0.999
  471    HA   THR  62           HA       THR  62  73.500  12.599   2.051
  472    HB   THR  62           HB       THR  62  74.204  14.626   3.330
  473    HG1  THR  62           HG1      THR  62  76.123  15.004   2.147
  474   1HG2  THR  62          HG21      THR  62  74.154  12.137   4.187
  475   2HG2  THR  62          HG23      THR  62  75.903  12.349   4.288
  476   3HG2  THR  62          HG22      THR  62  74.831  13.406   5.207
  477    H    ALA  63           HN       ALA  63  73.871  12.640  -0.594
  478    HA   ALA  63           HA       ALA  63  73.533  13.975  -2.494
  479   1HB   ALA  63           HB3      ALA  63  72.151  15.228  -0.467
  480   2HB   ALA  63           HB2      ALA  63  73.232  16.510  -1.020
  481   3HB   ALA  63           HB1      ALA  63  72.129  15.733  -2.159
  482    H    THR  64           HN       THR  64  75.404  15.640   0.054
  483    HA   THR  64           HA       THR  64  77.403  16.381  -2.051
  484    HB   THR  64           HB       THR  64  76.661  17.841   0.503
  485    HG1  THR  64           HG1      THR  64  76.692  19.092  -1.950
  486   1HG2  THR  64          HG22      THR  64  78.865  18.328  -1.509
  487   2HG2  THR  64          HG21      THR  64  78.347  19.522  -0.321
  488   3HG2  THR  64          HG23      THR  64  79.050  17.996   0.212
  489    H    GLY  65           HN       GLY  65  76.797  14.699   0.884
  490   1HA   GLY  65          2HA       GLY  65  79.621  14.638   1.719
  491   2HA   GLY  65          3HA       GLY  65  78.289  13.819   2.527
  492    H    TYR  66           HN       TYR  66  80.544  12.382   2.178
  493    HA   TYR  66           HA       TYR  66  79.656  10.155   0.561
  494   1HB   TYR  66          2HB       TYR  66  82.053  11.760  -0.365
  495   2HB   TYR  66          3HB       TYR  66  81.643  10.155  -0.968
  496    HD1  TYR  66           HD1      TYR  66  79.462   9.818  -2.208
  497    HD2  TYR  66           HD2      TYR  66  80.915  13.714  -1.121
  498    HE1  TYR  66           HE1      TYR  66  77.904  10.856  -3.839
  499    HE2  TYR  66           HE2      TYR  66  79.358  14.748  -2.751
  500    HH   TYR  66           HH       TYR  66  77.336  14.261  -3.933
  501    H    GLY  67           HN       GLY  67  81.642  11.640   2.869
  502   1HA   GLY  67          2HA       GLY  67  82.480  10.132   4.685
  503   2HA   GLY  67          3HA       GLY  67  83.001   9.027   3.410
  504    H    PHE  68           HN       PHE  68  84.594  10.528   5.526
  505    HA   PHE  68           HA       PHE  68  86.678  11.622   5.606
  506   1HB   PHE  68          2HB       PHE  68  86.578  10.335   2.938
  507   2HB   PHE  68          3HB       PHE  68  87.725  11.661   3.095
  508    HD1  PHE  68           HD1      PHE  68  86.573   8.777   5.223
  509    HD2  PHE  68           HD2      PHE  68  89.863  11.045   3.659
  510    HE1  PHE  68           HE1      PHE  68  88.164   7.276   6.396
  511    HE2  PHE  68           HE2      PHE  68  91.457   9.550   4.826
  512    HZ   PHE  68           HZ       PHE  68  90.606   7.664   6.188
  513    H    ALA  69           HN       ALA  69  84.267  13.152   5.137
  514    HA   ALA  69           HA       ALA  69  84.499  15.021   3.010
  515   1HB   ALA  69           HB3      ALA  69  82.923  14.754   5.424
  516   2HB   ALA  69           HB2      ALA  69  83.461  16.423   5.242
  517   3HB   ALA  69           HB1      ALA  69  82.547  15.647   3.949
  518    H    GLU  70           HN       GLU  70  85.459  17.063   2.921
  519    HA   GLU  70           HA       GLU  70  87.441  17.717   5.055
  520   1HB   GLU  70          2HB       GLU  70  88.376  16.497   2.956
  521   2HB   GLU  70          3HB       GLU  70  88.017  17.984   2.087
  522   1HG   GLU  70          2HG       GLU  70  89.507  19.250   3.525
  523   2HG   GLU  70          3HG       GLU  70  89.772  17.839   4.554
  524    HA   PRO  71           HA       PRO  71  85.767  21.863   5.196
  525   1HB   PRO  71          2HB       PRO  71  88.372  22.723   4.014
  526   2HB   PRO  71          3HB       PRO  71  87.527  23.333   5.447
  527   1HG   PRO  71          2HG       PRO  71  89.633  21.477   5.410
  528   2HG   PRO  71          3HG       PRO  71  88.610  21.894   6.791
  529   1HD   PRO  71          2HD       PRO  71  88.709  19.388   5.529
  530   2HD   PRO  71          3HD       PRO  71  87.445  19.928   6.646
  531    H    TYR  72           HN       TYR  72  87.342  20.655   2.305
  532    HA   TYR  72           HA       TYR  72  85.393  22.217   0.668
  533   1HB   TYR  72          2HB       TYR  72  87.046  22.292  -1.150
  534   2HB   TYR  72          3HB       TYR  72  87.742  23.019   0.296
  535    HD1  TYR  72           HD2      TYR  72  89.346  21.706   1.708
  536    HD2  TYR  72           HD1      TYR  72  87.972  20.301  -2.114
  537    HE1  TYR  72           HE2      TYR  72  91.232  20.090   1.618
  538    HE2  TYR  72           HE1      TYR  72  89.852  18.685  -2.196
  539    HH   TYR  72           HH       TYR  72  91.874  18.174  -1.268
  540    H    ASN  73           HN       ASN  73  84.357  20.030   1.531
  541    HA   ASN  73           HA       ASN  73  85.025  17.483   0.697
  542   1HB   ASN  73          2HB       ASN  73  82.260  18.724   0.664
  543   2HB   ASN  73          3HB       ASN  73  82.579  16.992   0.589
  544   1HD2  ASN  73          HD22      ASN  73  82.314  18.574   4.181
  545   2HD2  ASN  73          HD21      ASN  73  81.546  19.135   2.775
  546    H    LEU  74           HN       LEU  74  84.812  16.256  -1.185
  547    HA   LEU  74           HA       LEU  74  83.581  17.359  -3.583
  548   1HB   LEU  74          2HB       LEU  74  85.648  18.690  -3.520
  549   2HB   LEU  74          3HB       LEU  74  86.603  17.210  -3.431
  550    HG   LEU  74           HG       LEU  74  85.620  16.489  -5.606
  551   1HD1  LEU  74          HD11      LEU  74  84.293  19.185  -5.354
  552   2HD1  LEU  74          HD13      LEU  74  84.570  18.452  -6.932
  553   3HD1  LEU  74          HD12      LEU  74  83.560  17.630  -5.745
  554   1HD2  LEU  74          HD21      LEU  74  87.121  19.113  -5.442
  555   2HD2  LEU  74          HD23      LEU  74  87.775  17.500  -5.743
  556   3HD2  LEU  74          HD22      LEU  74  86.807  18.304  -6.979
  557    H    TYR  75           HN       TYR  75  82.574  15.251  -3.525
  558    HA   TYR  75           HA       TYR  75  84.259  13.160  -4.777
  559   1HB   TYR  75          2HB       TYR  75  82.621  12.721  -2.261
  560   2HB   TYR  75          3HB       TYR  75  83.337  11.427  -3.225
  561    HD1  TYR  75           HD1      TYR  75  85.767  11.110  -3.320
  562    HD2  TYR  75           HD2      TYR  75  84.028  14.252  -0.959
  563    HE1  TYR  75           HE1      TYR  75  87.939  11.454  -2.174
  564    HE2  TYR  75           HE2      TYR  75  86.201  14.592   0.189
  565    HH   TYR  75           HH       TYR  75  88.267  13.169   0.666
  566    H    SER  76           HN       SER  76  82.993  13.688  -6.662
  567    HA   SER  76           HA       SER  76  80.120  13.646  -6.685
  568   1HB   SER  76          2HB       SER  76  80.303  13.638  -9.081
  569   2HB   SER  76          3HB       SER  76  81.635  14.623  -8.482
  570    HG   SER  76           HG       SER  76  81.711  11.896  -9.297
  571    H    SER  77           HN       SER  77  82.566  11.139  -7.348
  572    HA   SER  77           HA       SER  77  80.343   9.151  -7.177
  573   1HB   SER  77          2HB       SER  77  82.665   9.209  -9.112
  574   2HB   SER  77          3HB       SER  77  81.596   7.822  -8.902
  575    HG   SER  77           HG       SER  77  80.526   8.890 -10.407
  576    H    LEU  78           HN       LEU  78  80.928   7.068  -6.419
  577    HA   LEU  78           HA       LEU  78  82.821   7.027  -4.259
  578   1HB   LEU  78          2HB       LEU  78  81.296   4.870  -5.738
  579   2HB   LEU  78          3HB       LEU  78  82.324   4.527  -4.343
  580    HG   LEU  78           HG       LEU  78  80.050   6.531  -4.335
  581   1HD1  LEU  78          HD13      LEU  78  80.123   3.613  -3.966
  582   2HD1  LEU  78          HD12      LEU  78  79.376   4.475  -2.619
  583   3HD1  LEU  78          HD11      LEU  78  78.747   4.677  -4.257
  584   1HD2  LEU  78          HD23      LEU  78  82.155   5.660  -2.424
  585   2HD2  LEU  78          HD22      LEU  78  81.330   7.213  -2.558
  586   3HD2  LEU  78          HD21      LEU  78  80.537   5.860  -1.755
  587    H    LYS  79           HN       LYS  79  82.959   6.088  -7.646
  588    HA   LYS  79           HA       LYS  79  85.329   4.513  -7.554
  589   1HB   LYS  79          2HB       LYS  79  84.221   6.311  -9.726
  590   2HB   LYS  79          3HB       LYS  79  85.595   5.232  -9.957
  591   1HG   LYS  79          2HG       LYS  79  84.215   3.291  -9.420
  592   2HG   LYS  79          3HG       LYS  79  82.845   4.340  -9.050
  593   1HD   LYS  79          2HD       LYS  79  82.436   3.624 -11.268
  594   2HD   LYS  79          3HD       LYS  79  83.111   5.242 -11.445
  595   1HE   LYS  79          2HE       LYS  79  85.325   4.300 -11.911
  596   2HE   LYS  79          3HE       LYS  79  84.703   2.669 -11.661
  597   1HZ   LYS  79           HZ1      LYS  79  83.403   4.433 -13.613
  598   2HZ   LYS  79           HZ3      LYS  79  84.839   3.643 -14.044
  599   3HZ   LYS  79           HZ2      LYS  79  83.477   2.737 -13.581
  600    H    GLU  80           HN       GLU  80  84.854   8.034  -7.872
  601    HA   GLU  80           HA       GLU  80  87.610   8.695  -8.254
  602   1HB   GLU  80          2HB       GLU  80  85.336  10.281  -7.014
  603   2HB   GLU  80          3HB       GLU  80  86.932  10.951  -7.357
  604   1HG   GLU  80          2HG       GLU  80  86.695  10.497  -9.716
  605   2HG   GLU  80          3HG       GLU  80  85.202   9.603  -9.436
  606    H    LEU  81           HN       LEU  81  85.630   8.401  -5.305
  607    HA   LEU  81           HA       LEU  81  87.660   9.179  -3.467
  608   1HB   LEU  81          2HB       LEU  81  85.255   8.937  -2.862
  609   2HB   LEU  81          3HB       LEU  81  85.418   7.187  -3.004
  610    HG   LEU  81           HG       LEU  81  87.233   8.793  -1.195
  611   1HD1  LEU  81          HD12      LEU  81  84.396   8.014  -0.791
  612   2HD1  LEU  81          HD11      LEU  81  85.491   7.662   0.545
  613   3HD1  LEU  81          HD13      LEU  81  85.322   9.316  -0.044
  614   1HD2  LEU  81          HD21      LEU  81  86.737   5.951  -1.808
  615   2HD2  LEU  81          HD23      LEU  81  88.164   6.722  -1.121
  616   3HD2  LEU  81          HD22      LEU  81  86.800   6.312  -0.085
  617    H    VAL  82           HN       VAL  82  86.799   5.965  -4.757
  618    HA   VAL  82           HA       VAL  82  88.813   4.588  -3.204
  619    HB   VAL  82           HB       VAL  82  87.400   3.751  -5.753
  620   1HG1  VAL  82          HG12      VAL  82  89.005   2.179  -3.723
  621   2HG1  VAL  82          HG11      VAL  82  88.027   1.457  -4.999
  622   3HG1  VAL  82          HG13      VAL  82  89.430   2.444  -5.415
  623   1HG2  VAL  82          HG23      VAL  82  85.910   4.233  -3.818
  624   2HG2  VAL  82          HG22      VAL  82  85.925   2.518  -4.231
  625   3HG2  VAL  82          HG21      VAL  82  86.846   3.097  -2.845
  626    H    LEU  83           HN       LEU  83  88.735   6.004  -6.452
  627    HA   LEU  83           HA       LEU  83  91.290   4.984  -7.280
  628   1HB   LEU  83          2HB       LEU  83  89.692   7.401  -8.164
  629   2HB   LEU  83          3HB       LEU  83  91.204   6.910  -8.929
  630    HG   LEU  83           HG       LEU  83  88.783   5.106  -8.653
  631   1HD1  LEU  83          HD13      LEU  83  88.452   7.146 -10.117
  632   2HD1  LEU  83          HD12      LEU  83  89.787   6.566 -11.112
  633   3HD1  LEU  83          HD11      LEU  83  88.313   5.608 -10.970
  634   1HD2  LEU  83          HD21      LEU  83  91.507   4.878  -9.910
  635   2HD2  LEU  83          HD23      LEU  83  90.637   3.701  -8.928
  636   3HD2  LEU  83          HD22      LEU  83  90.153   3.987 -10.598
  637    H    HIS  84           HN       HIS  84  90.283   8.035  -5.732
  638    HA   HIS  84           HA       HIS  84  92.916   9.204  -5.726
  639   1HB   HIS  84          2HB       HIS  84  90.481   9.745  -4.004
  640   2HB   HIS  84          3HB       HIS  84  91.942  10.735  -3.993
  641    HD1  HIS  84           HD1      HIS  84  92.661  11.240  -6.772
  642    HD2  HIS  84           HD2      HIS  84  88.650  10.949  -5.667
  643    HE1  HIS  84           HE1      HIS  84  91.328  12.368  -8.607
  644    H    TYR  85           HN       TYR  85  91.153   7.246  -3.359
  645    HA   TYR  85           HA       TYR  85  93.111   7.550  -1.263
  646   1HB   TYR  85          2HB       TYR  85  90.787   5.730  -1.750
  647   2HB   TYR  85          3HB       TYR  85  91.875   5.442  -0.396
  648    HD1  TYR  85           HD2      TYR  85  90.498   8.552  -1.980
  649    HD2  TYR  85           HD1      TYR  85  90.931   6.199   1.589
  650    HE1  TYR  85           HE2      TYR  85  89.343  10.316  -0.679
  651    HE2  TYR  85           HE1      TYR  85  89.773   7.969   2.890
  652    HH   TYR  85           HH       TYR  85  87.978  10.379   1.508
  653    H    GLN  86           HN       GLN  86  93.075   5.524  -4.089
  654    HA   GLN  86           HA       GLN  86  94.770   3.470  -2.873
  655   1HB   GLN  86          2HB       GLN  86  95.114   2.668  -5.192
  656   2HB   GLN  86          3HB       GLN  86  93.401   2.883  -4.838
  657   1HG   GLN  86          2HG       GLN  86  93.179   4.511  -6.385
  658   2HG   GLN  86          3HG       GLN  86  94.677   5.301  -5.903
  659   1HE2  GLN  86          HE22      GLN  86  96.474   2.691  -8.001
  660   2HE2  GLN  86          HE21      GLN  86  96.380   2.929  -6.322
  661    H    HIS  87           HN       HIS  87  95.184   6.551  -4.388
  662    HA   HIS  87           HA       HIS  87  98.101   6.127  -4.679
  663   1HB   HIS  87          2HB       HIS  87  96.801   7.248  -6.497
  664   2HB   HIS  87          3HB       HIS  87  96.415   8.552  -5.372
  665    HD1  HIS  87           HD1      HIS  87  99.520   6.798  -6.730
  666    HD2  HIS  87           HD2      HIS  87  98.318  10.557  -5.390
  667    HE1  HIS  87           HE1      HIS  87 101.490   8.353  -7.095
  668    H    THR  88           HN       THR  88  95.835   7.406  -2.453
  669    HA   THR  88           HA       THR  88  97.934   9.085  -1.168
  670    HB   THR  88           HB       THR  88  94.953   8.940  -0.592
  671    HG1  THR  88           HG1      THR  88  94.812  10.249  -2.207
  672   1HG2  THR  88          HG22      THR  88  97.196  10.690   0.440
  673   2HG2  THR  88          HG21      THR  88  95.499  11.162   0.553
  674   3HG2  THR  88          HG23      THR  88  96.068   9.709   1.376
  675    H    SER  89           HN       SER  89  98.692   8.590   0.846
  676    HA   SER  89           HA       SER  89  98.170   5.845   1.752
  677   1HB   SER  89          2HB       SER  89 100.147   6.068   3.021
  678   2HB   SER  89          3HB       SER  89 100.463   6.995   1.555
  679    HG   SER  89           HG       SER  89 100.471   8.774   2.691
  680    H    LEU  90           HN       LEU  90  97.067   5.300   3.559
  681    HA   LEU  90           HA       LEU  90  95.386   7.254   4.862
  682   1HB   LEU  90          2HB       LEU  90  96.010   4.354   5.456
  683   2HB   LEU  90          3HB       LEU  90  94.876   5.303   6.417
  684    HG   LEU  90           HG       LEU  90  94.639   5.016   3.410
  685   1HD1  LEU  90          HD11      LEU  90  93.850   3.228   5.635
  686   2HD1  LEU  90          HD13      LEU  90  92.600   3.543   4.430
  687   3HD1  LEU  90          HD12      LEU  90  94.145   2.845   3.939
  688   1HD2  LEU  90          HD21      LEU  90  92.944   6.130   5.639
  689   2HD2  LEU  90          HD23      LEU  90  93.362   6.874   4.095
  690   3HD2  LEU  90          HD22      LEU  90  92.191   5.556   4.151
  691    H    VAL  91           HN       VAL  91  98.652   6.432   5.330
  692    HA   VAL  91           HA       VAL  91  99.286   6.346   7.972
  693    HB   VAL  91           HB       VAL  91 100.885   6.850   6.040
  694   1HG1  VAL  91          HG11      VAL  91  99.466   8.997   5.520
  695   2HG1  VAL  91          HG13      VAL  91 100.484   9.734   6.757
  696   3HG1  VAL  91          HG12      VAL  91 101.215   9.036   5.313
  697   1HG2  VAL  91          HG23      VAL  91 101.014   7.594   8.836
  698   2HG2  VAL  91          HG22      VAL  91 102.282   6.939   7.804
  699   3HG2  VAL  91          HG21      VAL  91 102.010   8.680   7.864
  700    H    GLN  92           HN       GLN  92  97.980   9.250   6.362
  701    HA   GLN  92           HA       GLN  92  98.138  10.867   8.766
  702   1HB   GLN  92          2HB       GLN  92  96.566  11.276   6.210
  703   2HB   GLN  92          3HB       GLN  92  96.732  12.475   7.489
  704   1HG   GLN  92          2HG       GLN  92  99.166  12.502   7.188
  705   2HG   GLN  92          3HG       GLN  92  99.036  11.251   5.948
  706   1HE2  GLN  92          HE22      GLN  92  99.042  14.073   3.746
  707   2HE2  GLN  92          HE21      GLN  92 100.021  12.866   4.429
  708    H    HIS  93           HN       HIS  93  96.011   8.360   7.953
  709    HA   HIS  93           HA       HIS  93  93.503   9.406   8.836
  710   1HB   HIS  93          2HB       HIS  93  93.751   7.156   7.800
  711   2HB   HIS  93          3HB       HIS  93  94.592   6.602   9.248
  712    HD1  HIS  93           HD1      HIS  93  93.154   5.817  11.177
  713    HD2  HIS  93           HD2      HIS  93  90.969   8.012   8.387
  714    HE1  HIS  93           HE1      HIS  93  90.731   5.710  11.919
  715    H    ASN  94           HN       ASN  94  96.172   7.901  10.568
  716    HA   ASN  94           HA       ASN  94  95.387   9.312  13.035
  717   1HB   ASN  94          2HB       ASN  94  94.360   6.879  12.861
  718   2HB   ASN  94          3HB       ASN  94  96.006   6.374  13.253
  719   1HD2  ASN  94          HD22      ASN  94  95.532   7.042  16.660
  720   2HD2  ASN  94          HD21      ASN  94  96.314   6.131  15.461
  721    H    ASP  95           HN       ASP  95  97.543   9.076  10.881
  722    HA   ASP  95           HA       ASP  95  99.860   9.342  10.783
  723   1HB   ASP  95          2HB       ASP  95  99.375  10.795  12.822
  724   2HB   ASP  95          3HB       ASP  95  99.805   9.399  13.810
  725    H    SER  96           HN       SER  96  98.749   6.711  10.765
  726    HA   SER  96           HA       SER  96 101.140   5.185  11.320
  727   1HB   SER  96          2HB       SER  96  98.724   4.776  13.099
  728   2HB   SER  96          3HB       SER  96 100.033   3.604  12.941
  729    HG   SER  96           HG       SER  96 100.091   5.319  14.683
  730    H    LEU  97           HN       LEU  97  98.368   5.730   9.661
  731    HA   LEU  97           HA       LEU  97  98.002   2.858   8.937
  732   1HB   LEU  97          2HB       LEU  97  96.334   5.240   8.067
  733   2HB   LEU  97          3HB       LEU  97  95.908   3.535   7.930
  734    HG   LEU  97           HG       LEU  97  94.742   4.367   9.854
  735   1HD1  LEU  97          HD11      LEU  97  96.230   2.195  10.022
  736   2HD1  LEU  97          HD13      LEU  97  97.169   3.164  11.158
  737   3HD1  LEU  97          HD12      LEU  97  95.464   2.843  11.468
  738   1HD2  LEU  97          HD21      LEU  97  96.794   6.216   9.967
  739   2HD2  LEU  97          HD23      LEU  97  95.529   6.025  11.175
  740   3HD2  LEU  97          HD22      LEU  97  97.086   5.230  11.398
  741    H    ASN  98           HN       ASN  98 100.307   3.354   7.987
  742    HA   ASN  98           HA       ASN  98 100.304   4.894   5.521
  743   1HB   ASN  98          2HB       ASN  98 102.625   4.103   5.292
  744   2HB   ASN  98          3HB       ASN  98 102.310   4.750   6.906
  745   1HD2  ASN  98          HD22      ASN  98 104.030   1.557   7.533
  746   2HD2  ASN  98          HD21      ASN  98 104.419   3.111   6.971
  747    H    VAL  99           HN       VAL  99  98.427   3.615   4.693
  748    HA   VAL  99           HA       VAL  99  99.475   1.551   2.863
  749    HB   VAL  99           HB       VAL  99  98.660   0.232   4.754
  750   1HG1  VAL  99          HG13      VAL  99  97.128   2.114   5.546
  751   2HG1  VAL  99          HG12      VAL  99  95.985   1.582   4.321
  752   3HG1  VAL  99          HG11      VAL  99  96.438   0.492   5.630
  753   1HG2  VAL  99          HG21      VAL  99  98.045  -0.263   2.223
  754   2HG2  VAL  99          HG23      VAL  99  97.338  -1.232   3.513
  755   3HG2  VAL  99          HG22      VAL  99  96.404   0.070   2.779
  756    H    THR 100           HN       THR 100  97.995   1.198   1.089
  757    HA   THR 100           HA       THR 100  96.026   3.419   0.756
  758    HB   THR 100           HB       THR 100  96.654   3.504  -1.606
  759    HG1  THR 100           HG1      THR 100  98.088   2.082  -2.451
  760   1HG2  THR 100          HG23      THR 100  98.574   3.893   0.575
  761   2HG2  THR 100          HG22      THR 100  99.346   3.695  -0.997
  762   3HG2  THR 100          HG21      THR 100  98.153   4.971  -0.754
  763    H    LEU 101           HN       LEU 101  94.114   2.836  -0.410
  764    HA   LEU 101           HA       LEU 101  93.523  -0.050  -0.204
  765   1HB   LEU 101          2HB       LEU 101  91.189   0.744  -0.907
  766   2HB   LEU 101          3HB       LEU 101  91.768   1.304   0.651
  767    HG   LEU 101           HG       LEU 101  92.564   3.409  -0.570
  768   1HD1  LEU 101          HD11      LEU 101  90.932   2.030  -2.702
  769   2HD1  LEU 101          HD13      LEU 101  91.080   3.784  -2.670
  770   3HD1  LEU 101          HD12      LEU 101  92.517   2.784  -2.856
  771   1HD2  LEU 101          HD21      LEU 101  89.827   2.528   0.112
  772   2HD2  LEU 101          HD23      LEU 101  90.703   3.961   0.640
  773   3HD2  LEU 101          HD22      LEU 101  89.893   3.947  -0.927
  774    H    ALA 102           HN       ALA 102  95.427   0.413  -2.085
  775    HA   ALA 102           HA       ALA 102  94.255   0.727  -4.740
  776   1HB   ALA 102           HB3      ALA 102  96.613   1.414  -4.016
  777   2HB   ALA 102           HB2      ALA 102  97.018  -0.299  -4.105
  778   3HB   ALA 102           HB1      ALA 102  96.481   0.557  -5.553
  779    H    TYR 103           HN       TYR 103  94.336  -1.895  -2.613
  780    HA   TYR 103           HA       TYR 103  94.431  -3.780  -4.922
  781   1HB   TYR 103          2HB       TYR 103  94.980  -4.206  -1.991
  782   2HB   TYR 103          3HB       TYR 103  94.822  -5.531  -3.131
  783    HD1  TYR 103           HD2      TYR 103  96.852  -2.621  -2.126
  784    HD2  TYR 103           HD1      TYR 103  96.507  -5.924  -4.846
  785    HE1  TYR 103           HE2      TYR 103  99.217  -2.311  -2.796
  786    HE2  TYR 103           HE1      TYR 103  98.873  -5.620  -5.522
  787    HH   TYR 103           HH       TYR 103 100.606  -3.988  -5.495
  788    HA   PRO 104           HA       PRO 104  90.013  -4.112  -4.058
  789   1HB   PRO 104          2HB       PRO 104  89.506  -5.896  -6.091
  790   2HB   PRO 104          3HB       PRO 104  89.591  -4.139  -6.302
  791   1HG   PRO 104          2HG       PRO 104  91.527  -6.224  -7.022
  792   2HG   PRO 104          3HG       PRO 104  91.248  -4.636  -7.745
  793   1HD   PRO 104          2HD       PRO 104  93.364  -5.292  -6.056
  794   2HD   PRO 104          3HD       PRO 104  92.822  -3.644  -6.424
  795    H    VAL 105           HN       VAL 105  88.736  -5.649  -3.034
  796    HA   VAL 105           HA       VAL 105  90.117  -7.986  -1.968
  797    HB   VAL 105           HB       VAL 105  88.575  -6.540  -0.650
  798   1HG1  VAL 105          HG13      VAL 105  86.736  -7.314  -2.789
  799   2HG1  VAL 105          HG12      VAL 105  86.073  -7.619  -1.191
  800   3HG1  VAL 105          HG11      VAL 105  86.612  -6.000  -1.630
  801   1HG2  VAL 105          HG22      VAL 105  88.390  -9.492  -0.885
  802   2HG2  VAL 105          HG21      VAL 105  88.826  -8.500   0.505
  803   3HG2  VAL 105          HG23      VAL 105  87.131  -8.713   0.069
  804    H    TYR 106           HN       TYR 106  87.804  -7.360  -4.518
  805    HA   TYR 106           HA       TYR 106  87.455 -10.300  -4.874
  806   1HB   TYR 106          2HB       TYR 106  85.625  -8.007  -5.223
  807   2HB   TYR 106          3HB       TYR 106  85.540  -9.244  -6.477
  808    HD1  TYR 106           HD2      TYR 106  86.189  -9.421  -2.783
  809    HD2  TYR 106           HD1      TYR 106  83.729 -10.650  -6.079
  810    HE1  TYR 106           HE2      TYR 106  84.894 -10.891  -1.266
  811    HE2  TYR 106           HE1      TYR 106  82.436 -12.123  -4.566
  812    HH   TYR 106           HH       TYR 106  82.195 -11.879  -1.535
  813    H    ALA 107           HN       ALA 107  89.827  -9.286  -5.822
  814    HA   ALA 107           HA       ALA 107  89.511  -8.579  -8.650
  815   1HB   ALA 107           HB2      ALA 107  91.617  -8.447  -6.735
  816   2HB   ALA 107           HB1      ALA 107  92.160  -9.514  -8.026
  817   3HB   ALA 107           HB3      ALA 107  91.644  -7.876  -8.407
  818    H    GLN 108           HN       GLN 108  88.438 -10.329  -9.630
  819    HA   GLN 108           HA       GLN 108  89.056 -13.089  -9.162
  820   1HB   GLN 108          2HB       GLN 108  86.933 -12.348 -10.189
  821   2HB   GLN 108          3HB       GLN 108  87.815 -11.789 -11.608
  822   1HG   GLN 108          2HG       GLN 108  86.992 -13.952 -12.182
  823   2HG   GLN 108          3HG       GLN 108  88.704 -14.186 -11.811
  824   1HE2  GLN 108          HE22      GLN 108  88.055 -16.348  -9.107
  825   2HE2  GLN 108          HE21      GLN 108  89.197 -15.677 -10.171
  826    H    GLN 109           HN       GLN 109  90.235 -10.734 -11.504
  827    HA   GLN 109           HA       GLN 109  91.702 -12.490 -13.178
  828   1HB   GLN 109          2HB       GLN 109  91.238 -10.113 -13.697
  829   2HB   GLN 109          3HB       GLN 109  92.363  -9.634 -12.426
  830   1HG   GLN 109          2HG       GLN 109  93.587  -9.572 -14.492
  831   2HG   GLN 109          3HG       GLN 109  94.134 -10.991 -13.601
  832   1HE2  GLN 109          HE22      GLN 109  91.811 -11.575 -16.952
  833   2HE2  GLN 109          HE21      GLN 109  91.695 -10.099 -16.123
  834    H    ARG 110           HN       ARG 110  92.708 -10.828 -10.182
  835    HA   ARG 110           HA       ARG 110  95.423 -11.865 -10.323
  836   1HB   ARG 110          2HB       ARG 110  93.905 -10.761  -7.945
  837   2HB   ARG 110          3HB       ARG 110  95.652 -10.969  -8.055
  838   1HG   ARG 110          2HG       ARG 110  94.093  -9.265 -10.011
  839   2HG   ARG 110          3HG       ARG 110  94.793  -8.611  -8.529
  840   1HD   ARG 110          2HD       ARG 110  97.017  -9.559  -9.272
  841   2HD   ARG 110          3HD       ARG 110  96.268  -9.940 -10.817
  842    HE   ARG 110           HE       ARG 110  95.722  -7.232 -10.389
  843   1HH1  ARG 110          HH21      ARG 110  98.460  -9.312 -10.573
  844   2HH1  ARG 110          HH22      ARG 110  99.527  -8.084 -11.163
  845   1HH2  ARG 110          HH11      ARG 110  97.089  -5.605 -11.148
  846   2HH2  ARG 110          HH12      ARG 110  98.753  -5.967 -11.467
  847    H    ARG 111           HN       ARG 111  92.389 -12.940  -8.967
  848    HA   ARG 111           HA       ARG 111  91.780 -14.952  -7.948
  849   1HB   ARG 111          2HB       ARG 111  93.021 -15.868  -9.954
  850   2HB   ARG 111          3HB       ARG 111  94.452 -15.989  -8.928
  851   1HG   ARG 111          2HG       ARG 111  93.073 -17.356  -7.311
  852   2HG   ARG 111          3HG       ARG 111  91.792 -17.374  -8.522
  853   1HD   ARG 111          2HD       ARG 111  94.595 -18.479  -8.848
  854   2HD   ARG 111          3HD       ARG 111  93.103 -19.411  -8.738
  855    HE   ARG 111           HE       ARG 111  92.705 -17.694 -10.899
  856   1HH1  ARG 111          HH21      ARG 111  94.963 -20.104  -9.904
  857   2HH1  ARG 111          HH22      ARG 111  95.438 -20.511 -11.521
  858   1HH2  ARG 111          HH11      ARG 111  93.283 -18.243 -13.007
  859   2HH2  ARG 111          HH12      ARG 111  94.479 -19.466 -13.276
   
  No H/Q in entry =         859
  Start of MODEL    7
    1   1H    GLU   1           HT3      GLU   1  94.959  -2.797 -18.567
    2   2H    GLU   1           HT2      GLU   1  96.005  -4.132 -18.692
    3   3H    GLU   1           HT1      GLU   1  95.000  -3.959 -17.332
    4    HA   GLU   1           HA       GLU   1  97.173  -3.325 -16.669
    5   1HB   GLU   1          2HB       GLU   1  97.981  -2.905 -19.012
    6   2HB   GLU   1          3HB       GLU   1  97.104  -1.374 -18.994
    7   1HG   GLU   1          2HG       GLU   1  98.439  -0.595 -17.088
    8   2HG   GLU   1          3HG       GLU   1  99.282  -2.144 -17.022
    9    H    ASP   2           HN       ASP   2  94.209  -1.863 -17.362
   10    HA   ASP   2           HA       ASP   2  94.681   0.657 -15.955
   11   1HB   ASP   2          2HB       ASP   2  92.263   0.973 -16.117
   12   2HB   ASP   2          3HB       ASP   2  92.875   0.394 -17.662
   13    H    LEU   3           HN       LEU   3  93.254   1.135 -13.961
   14    HA   LEU   3           HA       LEU   3  93.954  -0.766 -11.898
   15   1HB   LEU   3          2HB       LEU   3  92.227   1.727 -11.899
   16   2HB   LEU   3          3HB       LEU   3  92.579   0.801 -10.443
   17    HG   LEU   3           HG       LEU   3  94.156   2.691 -10.698
   18   1HD1  LEU   3          HD11      LEU   3  94.794   0.223  -9.908
   19   2HD1  LEU   3          HD13      LEU   3  95.818   0.285 -11.342
   20   3HD1  LEU   3          HD12      LEU   3  96.023   1.477 -10.058
   21   1HD2  LEU   3          HD22      LEU   3  93.969   2.486 -13.290
   22   2HD2  LEU   3          HD21      LEU   3  95.520   2.956 -12.600
   23   3HD2  LEU   3          HD23      LEU   3  95.263   1.296 -13.136
   24    HA   PRO   4           HA       PRO   4  90.341  -3.341 -12.275
   25   1HB   PRO   4          2HB       PRO   4  90.436  -4.528  -9.798
   26   2HB   PRO   4          3HB       PRO   4  91.502  -4.971 -11.143
   27   1HG   PRO   4          2HG       PRO   4  92.060  -3.295  -8.762
   28   2HG   PRO   4          3HG       PRO   4  93.119  -4.412  -9.636
   29   1HD   PRO   4          2HD       PRO   4  93.225  -1.670  -9.903
   30   2HD   PRO   4          3HD       PRO   4  93.780  -2.814 -11.149
   31    H    HIS   5           HN       HIS   5  90.577  -0.682 -10.341
   32    HA   HIS   5           HA       HIS   5  88.306  -0.901  -8.619
   33   1HB   HIS   5          2HB       HIS   5  89.755   1.462  -9.821
   34   2HB   HIS   5          3HB       HIS   5  88.456   1.629  -8.641
   35    HD1  HIS   5           HD1      HIS   5  90.521   2.676  -7.169
   36    HD2  HIS   5           HD2      HIS   5  90.593  -1.439  -7.828
   37    HE1  HIS   5           HE1      HIS   5  92.135   1.708  -5.475
   38    H    HIS   6           HN       HIS   6  88.613  -0.326 -12.033
   39    HA   HIS   6           HA       HIS   6  86.215   1.110 -12.536
   40   1HB   HIS   6          2HB       HIS   6  87.691  -0.952 -14.196
   41   2HB   HIS   6          3HB       HIS   6  86.288  -0.070 -14.798
   42    HD1  HIS   6           HD1      HIS   6  86.607   2.722 -14.345
   43    HD2  HIS   6           HD2      HIS   6  90.007   0.362 -14.846
   44    HE1  HIS   6           HE1      HIS   6  88.486   4.298 -14.982
   45    H    ASP   7           HN       ASP   7  86.737  -2.189 -11.597
   46    HA   ASP   7           HA       ASP   7  83.906  -2.868 -12.195
   47   1HB   ASP   7          2HB       ASP   7  86.275  -4.618 -11.491
   48   2HB   ASP   7          3HB       ASP   7  84.645  -5.211 -11.798
   49    H    GLU   8           HN       GLU   8  82.480  -3.197 -10.528
   50    HA   GLU   8           HA       GLU   8  83.239  -2.434  -7.843
   51   1HB   GLU   8          2HB       GLU   8  80.702  -3.562  -9.043
   52   2HB   GLU   8          3HB       GLU   8  80.848  -3.205  -7.327
   53   1HG   GLU   8          2HG       GLU   8  81.271  -0.887  -7.741
   54   2HG   GLU   8          3HG       GLU   8  81.484  -1.173  -9.470
   55    H    LYS   9           HN       LYS   9  82.881  -5.497  -9.493
   56    HA   LYS   9           HA       LYS   9  82.696  -7.212  -7.227
   57   1HB   LYS   9          2HB       LYS   9  83.861  -7.612  -9.990
   58   2HB   LYS   9          3HB       LYS   9  83.811  -8.910  -8.795
   59   1HG   LYS   9          2HG       LYS   9  81.693  -9.326  -9.402
   60   2HG   LYS   9          3HG       LYS   9  81.240  -7.735  -8.811
   61   1HD   LYS   9          2HD       LYS   9  82.347  -8.239 -11.580
   62   2HD   LYS   9          3HD       LYS   9  80.623  -8.117 -11.220
   63   1HE   LYS   9          2HE       LYS   9  81.216  -5.849 -10.119
   64   2HE   LYS   9          3HE       LYS   9  82.745  -5.986 -10.985
   65   1HZ   LYS   9           HZ3      LYS   9  80.094  -6.183 -12.296
   66   2HZ   LYS   9           HZ2      LYS   9  80.989  -4.742 -12.186
   67   3HZ   LYS   9           HZ1      LYS   9  81.610  -6.067 -13.051
   68    H    THR  10           HN       THR  10  85.445  -5.599  -8.688
   69    HA   THR  10           HA       THR  10  87.463  -7.144  -7.355
   70    HB   THR  10           HB       THR  10  88.910  -5.134  -7.930
   71    HG1  THR  10           HG1      THR  10  87.433  -3.907  -9.601
   72   1HG2  THR  10          HG21      THR  10  87.406  -6.888  -9.740
   73   2HG2  THR  10          HG23      THR  10  88.026  -5.433 -10.516
   74   3HG2  THR  10          HG22      THR  10  89.132  -6.528  -9.700
   75    H    TRP  11           HN       TRP  11  85.586  -4.316  -6.318
   76    HA   TRP  11           HA       TRP  11  86.905  -4.578  -3.643
   77   1HB   TRP  11          2HB       TRP  11  86.316  -1.971  -3.595
   78   2HB   TRP  11          3HB       TRP  11  87.833  -2.557  -4.281
   79    HD1  TRP  11           HD1      TRP  11  87.817  -3.013  -6.958
   80    HE1  TRP  11           HE1      TRP  11  86.593  -1.760  -8.852
   81    HE3  TRP  11           HE3      TRP  11  84.332  -0.548  -4.198
   82    HZ2  TRP  11           HZ2      TRP  11  84.386   0.113  -9.122
   83    HZ3  TRP  11           HZ3      TRP  11  82.693   0.968  -5.276
   84    HH2  TRP  11           HH2      TRP  11  82.715   1.303  -7.730
   85    H    ASN  12           HN       ASN  12  83.983  -4.718  -5.314
   86    HA   ASN  12           HA       ASN  12  82.422  -3.601  -3.048
   87   1HB   ASN  12          2HB       ASN  12  81.853  -3.090  -5.449
   88   2HB   ASN  12          3HB       ASN  12  81.353  -4.777  -5.620
   89   1HD2  ASN  12          HD22      ASN  12  78.166  -3.424  -4.677
   90   2HD2  ASN  12          HD21      ASN  12  79.115  -3.888  -6.006
   91    H    VAL  13           HN       VAL  13  81.876  -4.889  -1.427
   92    HA   VAL  13           HA       VAL  13  81.057  -7.691  -2.014
   93    HB   VAL  13           HB       VAL  13  82.653  -6.932   0.441
   94   1HG1  VAL  13          HG12      VAL  13  81.070  -9.046   0.105
   95   2HG1  VAL  13          HG11      VAL  13  82.482  -9.670  -0.736
   96   3HG1  VAL  13          HG13      VAL  13  82.610  -9.184   0.950
   97   1HG2  VAL  13          HG23      VAL  13  83.607  -8.116  -2.189
   98   2HG2  VAL  13          HG22      VAL  13  84.115  -6.586  -1.470
   99   3HG2  VAL  13          HG21      VAL  13  84.549  -8.106  -0.699
  100    H    GLY  14           HN       GLY  14  79.515  -5.233  -1.578
  101   1HA   GLY  14          2HA       GLY  14  78.566  -4.855   1.032
  102   2HA   GLY  14          3HA       GLY  14  77.560  -4.649  -0.399
  103    H    SER  15           HN       SER  15  77.906  -7.494  -1.187
  104    HA   SER  15           HA       SER  15  75.619  -8.569   0.117
  105   1HB   SER  15          2HB       SER  15  77.842 -10.025  -1.344
  106   2HB   SER  15          3HB       SER  15  76.260 -10.702  -0.963
  107    HG   SER  15           HG       SER  15  76.244  -8.246  -2.234
  108    H    SER  16           HN       SER  16  79.084  -8.963   0.748
  109    HA   SER  16           HA       SER  16  78.818 -10.998   2.755
  110   1HB   SER  16          2HB       SER  16  80.964  -8.919   2.316
  111   2HB   SER  16          3HB       SER  16  81.116 -10.265   3.440
  112    HG   SER  16           HG       SER  16  80.304 -11.272   1.149
  113    H    ASN  17           HN       ASN  17  78.607 -10.854   4.972
  114    HA   ASN  17           HA       ASN  17  77.500  -8.351   6.045
  115   1HB   ASN  17          2HB       ASN  17  76.552 -10.595   6.615
  116   2HB   ASN  17          3HB       ASN  17  78.061 -10.984   7.444
  117   1HD2  ASN  17          HD22      ASN  17  76.464  -9.703  10.339
  118   2HD2  ASN  17          HD21      ASN  17  77.032 -11.095   9.548
  119    H    ARG  18           HN       ARG  18  78.394  -7.541   8.216
  120    HA   ARG  18           HA       ARG  18  81.143  -6.840   7.967
  121   1HB   ARG  18          2HB       ARG  18  79.508  -5.569   9.342
  122   2HB   ARG  18          3HB       ARG  18  79.463  -6.896  10.498
  123   1HG   ARG  18          2HG       ARG  18  81.886  -6.618  10.911
  124   2HG   ARG  18          3HG       ARG  18  81.934  -5.281   9.763
  125   1HD   ARG  18          2HD       ARG  18  81.747  -4.537  12.161
  126   2HD   ARG  18          3HD       ARG  18  80.417  -3.974  11.147
  127    HE   ARG  18           HE       ARG  18  79.481  -6.358  12.196
  128   1HH1  ARG  18          HH21      ARG  18  80.815  -3.426  13.442
  129   2HH1  ARG  18          HH22      ARG  18  79.960  -3.528  14.947
  130   1HH2  ARG  18          HH11      ARG  18  78.350  -6.488  14.139
  131   2HH2  ARG  18          HH12      ARG  18  78.561  -5.261  15.338
  132    H    ASN  19           HN       ASN  19  79.574  -9.425   9.863
  133    HA   ASN  19           HA       ASN  19  81.909 -10.312  11.235
  134   1HB   ASN  19          2HB       ASN  19  79.564 -11.113  11.685
  135   2HB   ASN  19          3HB       ASN  19  79.653 -12.054  10.194
  136   1HD2  ASN  19          HD22      ASN  19  80.734 -14.581  12.525
  137   2HD2  ASN  19          HD21      ASN  19  79.346 -13.936  11.789
  138    H    LYS  20           HN       LYS  20  80.545 -11.259   8.079
  139    HA   LYS  20           HA       LYS  20  82.654 -13.128   7.435
  140   1HB   LYS  20          2HB       LYS  20  80.402 -13.095   6.334
  141   2HB   LYS  20          3HB       LYS  20  80.845 -11.579   5.549
  142   1HG   LYS  20          2HG       LYS  20  82.759 -12.707   4.456
  143   2HG   LYS  20          3HG       LYS  20  82.297 -14.225   5.233
  144   1HD   LYS  20          2HD       LYS  20  79.969 -13.803   4.136
  145   2HD   LYS  20          3HD       LYS  20  80.842 -12.681   3.095
  146   1HE   LYS  20          2HE       LYS  20  80.856 -14.762   1.933
  147   2HE   LYS  20          3HE       LYS  20  82.471 -14.591   2.624
  148   1HZ   LYS  20           HZ2      LYS  20  81.128 -15.821   4.608
  149   2HZ   LYS  20           HZ1      LYS  20  80.396 -16.504   3.233
  150   3HZ   LYS  20           HZ3      LYS  20  82.074 -16.620   3.443
  151    H    ALA  21           HN       ALA  21  82.187  -9.665   6.990
  152    HA   ALA  21           HA       ALA  21  84.311  -9.130   5.168
  153   1HB   ALA  21           HB3      ALA  21  82.446  -7.585   6.335
  154   2HB   ALA  21           HB2      ALA  21  83.799  -7.222   7.411
  155   3HB   ALA  21           HB1      ALA  21  83.937  -6.905   5.680
  156    H    GLU  22           HN       GLU  22  84.266  -9.342   8.734
  157    HA   GLU  22           HA       GLU  22  86.963  -8.631   9.225
  158   1HB   GLU  22          2HB       GLU  22  85.204 -10.674  10.627
  159   2HB   GLU  22          3HB       GLU  22  86.775 -10.151  11.234
  160   1HG   GLU  22          2HG       GLU  22  85.998  -7.854  11.421
  161   2HG   GLU  22          3HG       GLU  22  84.453  -8.287  10.683
  162    H    ASN  23           HN       ASN  23  85.524 -11.809   8.554
  163    HA   ASN  23           HA       ASN  23  87.936 -13.292   8.553
  164   1HB   ASN  23          2HB       ASN  23  85.580 -14.235   8.528
  165   2HB   ASN  23          3HB       ASN  23  85.525 -13.842   6.811
  166   1HD2  ASN  23          HD22      ASN  23  87.131 -16.874   6.020
  167   2HD2  ASN  23          HD21      ASN  23  85.927 -15.740   5.635
  168    H    LEU  24           HN       LEU  24  86.188 -11.605   5.966
  169    HA   LEU  24           HA       LEU  24  88.030 -12.266   3.867
  170   1HB   LEU  24          2HB       LEU  24  86.165  -9.898   4.220
  171   2HB   LEU  24          3HB       LEU  24  87.064 -10.226   2.742
  172    HG   LEU  24           HG       LEU  24  85.162 -12.194   4.025
  173   1HD1  LEU  24          HD11      LEU  24  84.770 -10.059   1.946
  174   2HD1  LEU  24          HD13      LEU  24  83.843 -11.561   1.839
  175   3HD1  LEU  24          HD12      LEU  24  83.701 -10.532   3.271
  176   1HD2  LEU  24          HD21      LEU  24  86.966 -12.178   1.664
  177   2HD2  LEU  24          HD23      LEU  24  86.472 -13.524   2.691
  178   3HD2  LEU  24          HD22      LEU  24  85.381 -12.920   1.447
  179    H    LEU  25           HN       LEU  25  87.830  -9.573   6.187
  180    HA   LEU  25           HA       LEU  25  90.146  -8.183   5.140
  181   1HB   LEU  25          2HB       LEU  25  88.749  -8.084   7.827
  182   2HB   LEU  25          3HB       LEU  25  90.136  -7.064   7.432
  183    HG   LEU  25           HG       LEU  25  87.793  -7.113   5.553
  184   1HD1  LEU  25          HD13      LEU  25  87.168  -6.670   8.110
  185   2HD1  LEU  25          HD12      LEU  25  87.848  -5.084   7.761
  186   3HD1  LEU  25          HD11      LEU  25  86.479  -5.683   6.823
  187   1HD2  LEU  25          HD22      LEU  25  90.168  -5.899   5.372
  188   2HD2  LEU  25          HD21      LEU  25  88.699  -5.115   4.792
  189   3HD2  LEU  25          HD23      LEU  25  89.358  -4.690   6.371
  190    H    ARG  26           HN       ARG  26  89.547 -10.712   7.433
  191    HA   ARG  26           HA       ARG  26  92.327 -10.803   8.328
  192   1HB   ARG  26          2HB       ARG  26  89.826 -12.375   8.943
  193   2HB   ARG  26          3HB       ARG  26  91.405 -12.899   9.542
  194   1HG   ARG  26          2HG       ARG  26  91.712 -10.737  10.657
  195   2HG   ARG  26          3HG       ARG  26  90.172 -10.169  10.012
  196   1HD   ARG  26          2HD       ARG  26  89.019 -12.013  11.223
  197   2HD   ARG  26          3HD       ARG  26  90.568 -12.487  11.928
  198    HE   ARG  26           HE       ARG  26  90.367  -9.814  12.562
  199   1HH1  ARG  26          HH21      ARG  26  88.331 -12.584  12.920
  200   2HH1  ARG  26          HH22      ARG  26  87.614 -12.016  14.390
  201   1HH2  ARG  26          HH11      ARG  26  89.438  -9.074  14.453
  202   2HH2  ARG  26          HH12      ARG  26  88.219 -10.011  15.240
  203    H    GLY  27           HN       GLY  27  90.887 -11.667   5.566
  204   1HA   GLY  27          2HA       GLY  27  92.509 -14.167   5.275
  205   2HA   GLY  27          3HA       GLY  27  91.102 -13.780   4.288
  206    H    LYS  28           HN       LYS  28  92.972 -11.005   4.811
  207    HA   LYS  28           HA       LYS  28  94.656 -11.544   2.424
  208   1HB   LYS  28          2HB       LYS  28  93.919  -9.399   1.391
  209   2HB   LYS  28          3HB       LYS  28  92.633 -10.597   1.489
  210   1HG   LYS  28          2HG       LYS  28  92.122  -9.460   3.796
  211   2HG   LYS  28          3HG       LYS  28  93.000  -8.098   3.098
  212   1HD   LYS  28          2HD       LYS  28  91.407  -8.718   1.014
  213   2HD   LYS  28          3HD       LYS  28  90.367  -9.239   2.341
  214   1HE   LYS  28          2HE       LYS  28  90.707  -7.012   3.416
  215   2HE   LYS  28          3HE       LYS  28  91.616  -6.498   2.002
  216   1HZ   LYS  28           HZ2      LYS  28  89.449  -7.453   0.844
  217   2HZ   LYS  28           HZ1      LYS  28  88.763  -6.959   2.314
  218   3HZ   LYS  28           HZ3      LYS  28  89.584  -5.834   1.345
  219    H    ARG  29           HN       ARG  29  96.353  -9.983   2.139
  220    HA   ARG  29           HA       ARG  29  97.410  -9.022   4.698
  221   1HB   ARG  29          2HB       ARG  29  98.730 -10.227   2.861
  222   2HB   ARG  29          3HB       ARG  29  98.689  -8.696   1.989
  223   1HG   ARG  29          2HG       ARG  29  99.747  -7.558   3.876
  224   2HG   ARG  29          3HG       ARG  29  99.759  -9.067   4.798
  225   1HD   ARG  29          2HD       ARG  29 100.942  -9.771   2.394
  226   2HD   ARG  29          3HD       ARG  29 101.583  -8.153   2.687
  227    HE   ARG  29           HE       ARG  29 102.553 -10.420   3.972
  228   1HH1  ARG  29          HH21      ARG  29 100.989  -7.487   4.910
  229   2HH1  ARG  29          HH22      ARG  29 101.614  -7.524   6.526
  230   1HH2  ARG  29          HH11      ARG  29 103.379 -10.464   6.075
  231   2HH2  ARG  29          HH12      ARG  29 102.951  -9.203   7.183
  232    H    ASP  30           HN       ASP  30  98.409  -6.875   4.849
  233    HA   ASP  30           HA       ASP  30  96.729  -4.693   4.675
  234   1HB   ASP  30          2HB       ASP  30  99.733  -4.708   4.249
  235   2HB   ASP  30          3HB       ASP  30  98.780  -3.299   4.706
  236    H    GLY  31           HN       GLY  31  96.681  -2.847   3.213
  237   1HA   GLY  31          2HA       GLY  31  96.878  -1.777   1.080
  238   2HA   GLY  31          3HA       GLY  31  97.744  -3.186   0.483
  239    H    THR  32           HN       THR  32  95.609  -4.993   1.545
  240    HA   THR  32           HA       THR  32  93.844  -4.797  -0.806
  241    HB   THR  32           HB       THR  32  93.717  -6.842   1.428
  242    HG1  THR  32           HG1      THR  32  95.561  -7.524   0.753
  243   1HG2  THR  32          HG22      THR  32  92.924  -6.820  -1.501
  244   2HG2  THR  32          HG21      THR  32  92.913  -8.267  -0.494
  245   3HG2  THR  32          HG23      THR  32  91.846  -6.916  -0.111
  246    H    PHE  33           HN       PHE  33  91.886  -3.789  -0.690
  247    HA   PHE  33           HA       PHE  33  90.585  -3.660   1.980
  248   1HB   PHE  33          2HB       PHE  33  90.411  -1.396   1.990
  249   2HB   PHE  33          3HB       PHE  33  91.771  -1.454   0.868
  250    HD1  PHE  33           HD1      PHE  33  91.388  -1.196  -1.584
  251    HD2  PHE  33           HD2      PHE  33  88.176  -0.931   1.251
  252    HE1  PHE  33           HE1      PHE  33  89.901  -0.222  -3.327
  253    HE2  PHE  33           HE2      PHE  33  86.717   0.040  -0.505
  254    HZ   PHE  33           HZ       PHE  33  87.579   0.380  -2.774
  255    H    LEU  34           HN       LEU  34  88.208  -2.881   1.649
  256    HA   LEU  34           HA       LEU  34  87.100  -3.735  -0.964
  257   1HB   LEU  34          2HB       LEU  34  85.716  -5.490  -0.077
  258   2HB   LEU  34          3HB       LEU  34  87.362  -5.800   0.465
  259    HG   LEU  34           HG       LEU  34  86.183  -4.105   2.402
  260   1HD1  LEU  34          HD13      LEU  34  83.991  -4.825   1.508
  261   2HD1  LEU  34          HD12      LEU  34  84.456  -6.509   1.737
  262   3HD1  LEU  34          HD11      LEU  34  84.262  -5.451   3.129
  263   1HD2  LEU  34          HD23      LEU  34  86.872  -7.060   2.363
  264   2HD2  LEU  34          HD22      LEU  34  87.906  -5.733   2.887
  265   3HD2  LEU  34          HD21      LEU  34  86.482  -6.162   3.831
  266    H    VAL  35           HN       VAL  35  84.682  -3.403  -1.004
  267    HA   VAL  35           HA       VAL  35  83.954  -1.086   0.722
  268    HB   VAL  35           HB       VAL  35  83.151  -1.784  -2.124
  269   1HG1  VAL  35          HG12      VAL  35  81.958   0.161  -0.140
  270   2HG1  VAL  35          HG11      VAL  35  81.799   0.390  -1.880
  271   3HG1  VAL  35          HG13      VAL  35  81.121  -1.048  -1.115
  272   1HG2  VAL  35          HG22      VAL  35  84.609   0.501  -0.783
  273   2HG2  VAL  35          HG21      VAL  35  85.201  -0.561  -2.052
  274   3HG2  VAL  35          HG23      VAL  35  83.954   0.630  -2.410
  275    H    ARG  36           HN       ARG  36  81.996  -1.178   1.831
  276    HA   ARG  36           HA       ARG  36  80.100  -3.347   1.228
  277   1HB   ARG  36          2HB       ARG  36  80.187  -4.262   3.526
  278   2HB   ARG  36          3HB       ARG  36  81.733  -4.462   2.699
  279   1HG   ARG  36          2HG       ARG  36  82.801  -2.909   4.020
  280   2HG   ARG  36          3HG       ARG  36  81.337  -1.953   4.267
  281   1HD   ARG  36          2HD       ARG  36  80.443  -3.761   5.731
  282   2HD   ARG  36          3HD       ARG  36  81.959  -4.642   5.526
  283    HE   ARG  36           HE       ARG  36  82.744  -2.136   6.435
  284   1HH1  ARG  36          HH21      ARG  36  80.502  -4.555   7.445
  285   2HH1  ARG  36          HH22      ARG  36  80.742  -4.253   9.134
  286   1HH2  ARG  36          HH11      ARG  36  83.083  -1.743   8.628
  287   2HH2  ARG  36          HH12      ARG  36  82.213  -2.675   9.806
  288    H    GLU  37           HN       GLU  37  78.278  -3.188   3.110
  289    HA   GLU  37           HA       GLU  37  77.561  -0.339   3.129
  290   1HB   GLU  37          2HB       GLU  37  75.409  -1.173   4.075
  291   2HB   GLU  37          3HB       GLU  37  75.813  -1.965   2.553
  292   1HG   GLU  37          2HG       GLU  37  76.792  -3.235   5.075
  293   2HG   GLU  37          3HG       GLU  37  75.074  -3.370   4.699
  294    H    SER  38           HN       SER  38  76.616   0.470   5.285
  295    HA   SER  38           HA       SER  38  78.615   0.033   7.379
  296   1HB   SER  38          2HB       SER  38  77.189   1.631   8.662
  297   2HB   SER  38          3HB       SER  38  77.620   2.257   7.074
  298    HG   SER  38           HG       SER  38  75.378   0.760   6.958
  299    H    SER  39           HN       SER  39  76.435  -1.757   6.132
  300    HA   SER  39           HA       SER  39  75.540  -3.792   6.798
  301   1HB   SER  39          2HB       SER  39  75.869  -2.917   9.682
  302   2HB   SER  39          3HB       SER  39  75.667  -4.554   9.064
  303    HG   SER  39           HG       SER  39  77.916  -3.228   9.455
  304    H    LYS  40           HN       LYS  40  74.150  -2.987   9.738
  305    HA   LYS  40           HA       LYS  40  71.570  -2.498   8.382
  306   1HB   LYS  40          2HB       LYS  40  72.318  -3.105  11.250
  307   2HB   LYS  40          3HB       LYS  40  70.666  -2.753  10.740
  308   1HG   LYS  40          2HG       LYS  40  70.620  -4.664   9.284
  309   2HG   LYS  40          3HG       LYS  40  72.351  -4.938   9.494
  310   1HD   LYS  40          2HD       LYS  40  71.985  -5.394  11.895
  311   2HD   LYS  40          3HD       LYS  40  70.251  -5.142  11.671
  312   1HE   LYS  40          2HE       LYS  40  69.954  -7.166  10.666
  313   2HE   LYS  40          3HE       LYS  40  71.486  -7.072   9.803
  314   1HZ   LYS  40           HZ1      LYS  40  72.321  -7.304  12.328
  315   2HZ   LYS  40           HZ3      LYS  40  70.890  -8.205  12.401
  316   3HZ   LYS  40           HZ2      LYS  40  72.097  -8.619  11.286
  317    H    GLN  41           HN       GLN  41  74.038  -0.558   9.521
  318    HA   GLN  41           HA       GLN  41  72.503   1.449  10.921
  319   1HB   GLN  41          2HB       GLN  41  74.979   1.236  11.109
  320   2HB   GLN  41          3HB       GLN  41  75.127   1.799   9.444
  321   1HG   GLN  41          2HG       GLN  41  74.064   3.922  10.027
  322   2HG   GLN  41          3HG       GLN  41  73.791   3.357  11.675
  323   1HE2  GLN  41          HE22      GLN  41  76.859   4.930  12.490
  324   2HE2  GLN  41          HE21      GLN  41  75.173   4.915  12.711
  325    H    GLY  42           HN       GLY  42  73.276   0.902   7.520
  326   1HA   GLY  42          2HA       GLY  42  71.719   1.729   5.813
  327   2HA   GLY  42          3HA       GLY  42  71.379   3.110   6.859
  328    H    CYS  43           HN       CYS  43  74.581   2.780   7.214
  329    HA   CYS  43           HA       CYS  43  75.126   4.725   5.013
  330   1HB   CYS  43          2HB       CYS  43  76.683   4.147   7.552
  331   2HB   CYS  43          3HB       CYS  43  77.124   5.349   6.340
  332    HG   CYS  43           HG       CYS  43  74.886   6.627   6.905
  333    H    TYR  44           HN       TYR  44  77.445   4.574   4.132
  334    HA   TYR  44           HA       TYR  44  78.044   1.702   3.604
  335   1HB   TYR  44          2HB       TYR  44  78.747   4.177   2.005
  336   2HB   TYR  44          3HB       TYR  44  79.216   2.535   1.572
  337    HD1  TYR  44           HD1      TYR  44  77.463   0.840   0.983
  338    HD2  TYR  44           HD2      TYR  44  76.527   4.976   1.662
  339    HE1  TYR  44           HE1      TYR  44  75.275   0.532  -0.143
  340    HE2  TYR  44           HE2      TYR  44  74.342   4.670   0.542
  341    HH   TYR  44           HH       TYR  44  73.039   1.624  -0.145
  342    H    ALA  45           HN       ALA  45  80.398   1.155   3.347
  343    HA   ALA  45           HA       ALA  45  82.345   2.977   4.578
  344   1HB   ALA  45           HB2      ALA  45  81.406   0.457   5.973
  345   2HB   ALA  45           HB1      ALA  45  82.874   1.330   6.407
  346   3HB   ALA  45           HB3      ALA  45  81.302   2.110   6.581
  347    H    CYS  46           HN       CYS  46  84.510   2.277   4.235
  348    HA   CYS  46           HA       CYS  46  84.775  -0.134   2.477
  349   1HB   CYS  46          2HB       CYS  46  86.605   2.284   2.644
  350   2HB   CYS  46          3HB       CYS  46  86.807   0.913   1.550
  351    HG   CYS  46           HG       CYS  46  84.503   1.624   0.421
  352    H    SER  47           HN       SER  47  85.844  -1.812   3.386
  353    HA   SER  47           HA       SER  47  87.261  -1.334   5.927
  354   1HB   SER  47          2HB       SER  47  86.572  -3.906   4.504
  355   2HB   SER  47          3HB       SER  47  87.333  -3.802   6.082
  356    HG   SER  47           HG       SER  47  84.965  -4.008   6.037
  357    H    VAL  48           HN       VAL  48  89.440  -1.595   6.220
  358    HA   VAL  48           HA       VAL  48  91.058  -2.434   3.858
  359    HB   VAL  48           HB       VAL  48  91.661  -0.101   5.708
  360   1HG1  VAL  48          HG11      VAL  48  93.081  -1.255   3.308
  361   2HG1  VAL  48          HG13      VAL  48  93.438   0.340   3.970
  362   3HG1  VAL  48          HG12      VAL  48  93.696  -1.100   4.955
  363   1HG2  VAL  48          HG23      VAL  48  89.821  -0.099   3.665
  364   2HG2  VAL  48          HG22      VAL  48  90.711   1.322   4.205
  365   3HG2  VAL  48          HG21      VAL  48  91.288   0.399   2.824
  366    H    VAL  49           HN       VAL  49  93.195  -3.236   4.513
  367    HA   VAL  49           HA       VAL  49  93.262  -4.218   7.344
  368    HB   VAL  49           HB       VAL  49  94.536  -5.398   4.858
  369   1HG1  VAL  49          HG12      VAL  49  95.668  -5.659   7.194
  370   2HG1  VAL  49          HG11      VAL  49  94.318  -6.748   7.533
  371   3HG1  VAL  49          HG13      VAL  49  95.421  -7.098   6.198
  372   1HG2  VAL  49          HG21      VAL  49  92.066  -6.055   6.437
  373   2HG2  VAL  49          HG23      VAL  49  92.263  -5.964   4.686
  374   3HG2  VAL  49          HG22      VAL  49  92.930  -7.332   5.577
  375    H    VAL  50           HN       VAL  50  95.123  -3.643   8.564
  376    HA   VAL  50           HA       VAL  50  97.286  -2.323   6.992
  377    HB   VAL  50           HB       VAL  50  95.607  -1.156   8.986
  378   1HG1  VAL  50          HG12      VAL  50  97.193  -2.155  10.637
  379   2HG1  VAL  50          HG11      VAL  50  98.505  -1.271   9.862
  380   3HG1  VAL  50          HG13      VAL  50  97.202  -0.391  10.654
  381   1HG2  VAL  50          HG23      VAL  50  96.862  -0.217   6.879
  382   2HG2  VAL  50          HG22      VAL  50  96.584   0.840   8.259
  383   3HG2  VAL  50          HG21      VAL  50  98.165   0.097   8.024
  384    H    ASP  51           HN       ASP  51  99.424  -2.430   8.000
  385    HA   ASP  51           HA       ASP  51 100.042  -5.085   8.896
  386   1HB   ASP  51          2HB       ASP  51 101.636  -3.637   7.645
  387   2HB   ASP  51          3HB       ASP  51 101.749  -2.584   9.059
  388    H    GLY  52           HN       GLY  52  98.277  -4.643  10.687
  389   1HA   GLY  52          2HA       GLY  52  99.529  -4.927  13.179
  390   2HA   GLY  52          3HA       GLY  52  99.114  -3.220  13.040
  391    H    GLU  53           HN       GLU  53  96.683  -3.506  11.548
  392    HA   GLU  53           HA       GLU  53  94.965  -5.359  12.990
  393   1HB   GLU  53          2HB       GLU  53  95.242  -3.695  14.733
  394   2HB   GLU  53          3HB       GLU  53  94.843  -2.397  13.609
  395   1HG   GLU  53          2HG       GLU  53  92.592  -3.252  13.347
  396   2HG   GLU  53          3HG       GLU  53  92.973  -4.672  14.317
  397    H    VAL  54           HN       VAL  54  92.703  -5.183  12.294
  398    HA   VAL  54           HA       VAL  54  92.499  -4.282   9.486
  399    HB   VAL  54           HB       VAL  54  90.676  -5.877  11.310
  400   1HG1  VAL  54          HG13      VAL  54  90.208  -5.009   8.437
  401   2HG1  VAL  54          HG12      VAL  54  89.213  -6.169   9.321
  402   3HG1  VAL  54          HG11      VAL  54  89.282  -4.481   9.845
  403   1HG2  VAL  54          HG21      VAL  54  92.347  -6.505   8.861
  404   2HG2  VAL  54          HG23      VAL  54  92.506  -7.185  10.482
  405   3HG2  VAL  54          HG22      VAL  54  91.113  -7.607   9.482
  406    H    LYS  55           HN       LYS  55  91.570  -2.310   8.992
  407    HA   LYS  55           HA       LYS  55  89.999  -1.003  11.185
  408   1HB   LYS  55          2HB       LYS  55  91.698   0.192   8.982
  409   2HB   LYS  55          3HB       LYS  55  90.654   1.149  10.037
  410   1HG   LYS  55          2HG       LYS  55  92.567   1.257  11.294
  411   2HG   LYS  55          3HG       LYS  55  91.967  -0.289  11.899
  412   1HD   LYS  55          2HD       LYS  55  93.289  -1.456  10.144
  413   2HD   LYS  55          3HD       LYS  55  93.941   0.104   9.641
  414   1HE   LYS  55          2HE       LYS  55  95.153  -1.481  11.479
  415   2HE   LYS  55          3HE       LYS  55  95.311   0.269  11.459
  416   1HZ   LYS  55           HZ2      LYS  55  93.317   0.342  12.927
  417   2HZ   LYS  55           HZ1      LYS  55  93.432  -1.346  13.080
  418   3HZ   LYS  55           HZ3      LYS  55  94.689  -0.358  13.638
  419    H    HIS  56           HN       HIS  56  88.160   0.296  10.536
  420    HA   HIS  56           HA       HIS  56  87.036  -0.544   7.898
  421   1HB   HIS  56          2HB       HIS  56  85.621   0.056  10.505
  422   2HB   HIS  56          3HB       HIS  56  84.791  -0.172   8.969
  423    HD1  HIS  56           HD1      HIS  56  84.390  -2.110  11.389
  424    HD2  HIS  56           HD2      HIS  56  87.018  -2.783   8.230
  425    HE1  HIS  56           HE1      HIS  56  84.846  -4.602  11.358
  426    H    CYS  57           HN       CYS  57  86.926   1.153   6.494
  427    HA   CYS  57           HA       CYS  57  86.979   3.909   7.586
  428   1HB   CYS  57          2HB       CYS  57  88.495   3.232   5.680
  429   2HB   CYS  57          3HB       CYS  57  87.053   3.009   4.688
  430    HG   CYS  57           HG       CYS  57  86.663   5.518   4.649
  431    H    VAL  58           HN       VAL  58  85.105   4.998   7.812
  432    HA   VAL  58           HA       VAL  58  82.678   3.811   6.620
  433    HB   VAL  58           HB       VAL  58  83.008   4.512   9.092
  434   1HG1  VAL  58          HG13      VAL  58  83.862   6.808   8.378
  435   2HG1  VAL  58          HG12      VAL  58  82.190   7.196   7.965
  436   3HG1  VAL  58          HG11      VAL  58  82.618   6.805   9.632
  437   1HG2  VAL  58          HG21      VAL  58  80.621   5.267   7.393
  438   2HG2  VAL  58          HG23      VAL  58  80.864   3.786   8.314
  439   3HG2  VAL  58          HG22      VAL  58  80.584   5.306   9.157
  440    H    ILE  59           HN       ILE  59  81.534   4.764   5.009
  441    HA   ILE  59           HA       ILE  59  82.334   7.527   4.179
  442    HB   ILE  59           HB       ILE  59  81.375   5.221   2.458
  443   1HG1  ILE  59          HG12      ILE  59  84.028   6.681   2.436
  444   2HG1  ILE  59          HG11      ILE  59  83.767   5.169   3.304
  445   1HG2  ILE  59          HG23      ILE  59  81.944   8.130   1.889
  446   2HG2  ILE  59          HG22      ILE  59  82.010   6.912   0.614
  447   3HG2  ILE  59          HG21      ILE  59  80.504   7.198   1.485
  448   1HD1  ILE  59          HD12      ILE  59  83.255   5.547   0.340
  449   2HD1  ILE  59          HD11      ILE  59  84.727   4.836   1.009
  450   3HD1  ILE  59          HD13      ILE  59  83.174   4.035   1.245
  451    H    ASN  60           HN       ASN  60  80.657   8.979   4.176
  452    HA   ASN  60           HA       ASN  60  77.913   7.826   4.538
  453   1HB   ASN  60          2HB       ASN  60  79.095  10.477   5.416
  454   2HB   ASN  60          3HB       ASN  60  77.391  10.058   5.577
  455   1HD2  ASN  60          HD22      ASN  60  79.882   8.850   8.436
  456   2HD2  ASN  60          HD21      ASN  60  80.218  10.095   7.331
  457    H    LYS  61           HN       LYS  61  76.544   8.109   2.841
  458    HA   LYS  61           HA       LYS  61  77.268  10.061   0.729
  459   1HB   LYS  61          2HB       LYS  61  75.100   7.934   0.816
  460   2HB   LYS  61          3HB       LYS  61  75.417   8.987  -0.557
  461   1HG   LYS  61          2HG       LYS  61  77.729   8.103  -0.692
  462   2HG   LYS  61          3HG       LYS  61  77.372   7.010   0.646
  463   1HD   LYS  61          2HD       LYS  61  77.006   5.672  -1.263
  464   2HD   LYS  61          3HD       LYS  61  75.385   6.208  -0.822
  465   1HE   LYS  61          2HE       LYS  61  75.404   7.922  -2.511
  466   2HE   LYS  61          3HE       LYS  61  77.117   7.659  -2.833
  467   1HZ   LYS  61           HZ2      LYS  61  76.541   5.377  -3.528
  468   2HZ   LYS  61           HZ1      LYS  61  74.893   5.764  -3.353
  469   3HZ   LYS  61           HZ3      LYS  61  75.836   6.568  -4.514
  470    H    THR  62           HN       THR  62  76.410  11.082   3.244
  471    HA   THR  62           HA       THR  62  73.648  12.062   2.693
  472    HB   THR  62           HB       THR  62  75.294  12.220   5.239
  473    HG1  THR  62           HG1      THR  62  74.613  10.101   4.546
  474   1HG2  THR  62          HG21      THR  62  72.593  13.194   4.428
  475   2HG2  THR  62          HG23      THR  62  72.768  12.532   6.052
  476   3HG2  THR  62          HG22      THR  62  73.752  13.906   5.549
  477    H    ALA  63           HN       ALA  63  73.517  14.463   3.815
  478    HA   ALA  63           HA       ALA  63  74.626  16.289   2.066
  479   1HB   ALA  63           HB2      ALA  63  74.013  16.649   5.016
  480   2HB   ALA  63           HB1      ALA  63  74.409  17.989   3.933
  481   3HB   ALA  63           HB3      ALA  63  72.961  17.021   3.649
  482    H    THR  64           HN       THR  64  76.367  14.355   4.203
  483    HA   THR  64           HA       THR  64  78.563  16.211   4.692
  484    HB   THR  64           HB       THR  64  79.616  14.242   5.696
  485    HG1  THR  64           HG1      THR  64  79.049  12.625   4.338
  486   1HG2  THR  64          HG21      THR  64  77.543  15.522   6.725
  487   2HG2  THR  64          HG23      THR  64  76.743  13.967   6.482
  488   3HG2  THR  64          HG22      THR  64  78.175  14.075   7.508
  489    H    GLY  65           HN       GLY  65  77.471  14.385   2.093
  490   1HA   GLY  65          2HA       GLY  65  78.412  13.910   0.008
  491   2HA   GLY  65          3HA       GLY  65  79.684  15.049   0.429
  492    H    TYR  66           HN       TYR  66  78.679  11.652   0.814
  493    HA   TYR  66           HA       TYR  66  79.989   9.714   1.102
  494   1HB   TYR  66          2HB       TYR  66  82.168  11.493  -0.031
  495   2HB   TYR  66          3HB       TYR  66  82.186   9.728   0.022
  496    HD1  TYR  66           HD1      TYR  66  80.476   8.429  -1.292
  497    HD2  TYR  66           HD2      TYR  66  80.979  12.672  -1.729
  498    HE1  TYR  66           HE1      TYR  66  79.232   8.360  -3.438
  499    HE2  TYR  66           HE2      TYR  66  79.739  12.599  -3.876
  500    HH   TYR  66           HH       TYR  66  79.191  10.977  -5.623
  501    H    GLY  67           HN       GLY  67  83.037  10.327   1.494
  502   1HA   GLY  67          2HA       GLY  67  82.951  11.259   4.313
  503   2HA   GLY  67          3HA       GLY  67  83.667   9.680   3.971
  504    H    PHE  68           HN       PHE  68  85.383  11.425   5.093
  505    HA   PHE  68           HA       PHE  68  87.455  12.491   4.787
  506   1HB   PHE  68          2HB       PHE  68  87.194  11.100   2.108
  507   2HB   PHE  68          3HB       PHE  68  88.620  12.006   2.586
  508    HD1  PHE  68           HD1      PHE  68  87.040  10.459   5.420
  509    HD2  PHE  68           HD2      PHE  68  89.703   9.690   2.135
  510    HE1  PHE  68           HE1      PHE  68  87.939   8.485   6.609
  511    HE2  PHE  68           HE2      PHE  68  90.602   7.717   3.330
  512    HZ   PHE  68           HZ       PHE  68  89.719   7.113   5.567
  513    H    ALA  69           HN       ALA  69  85.035  13.997   4.223
  514    HA   ALA  69           HA       ALA  69  85.753  15.646   1.850
  515   1HB   ALA  69           HB1      ALA  69  83.338  14.853   2.557
  516   2HB   ALA  69           HB3      ALA  69  83.424  16.229   3.661
  517   3HB   ALA  69           HB2      ALA  69  83.576  16.480   1.919
  518    H    GLU  70           HN       GLU  70  86.707  15.539   4.992
  519    HA   GLU  70           HA       GLU  70  86.377  18.226   5.890
  520   1HB   GLU  70          2HB       GLU  70  88.562  16.227   6.554
  521   2HB   GLU  70          3HB       GLU  70  88.254  17.724   7.431
  522   1HG   GLU  70          2HG       GLU  70  87.072  16.119   8.682
  523   2HG   GLU  70          3HG       GLU  70  85.821  16.827   7.654
  524    HA   PRO  71           HA       PRO  71  90.493  19.168   3.723
  525   1HB   PRO  71          2HB       PRO  71  91.423  17.475   1.816
  526   2HB   PRO  71          3HB       PRO  71  91.771  17.254   3.536
  527   1HG   PRO  71          2HG       PRO  71  89.928  15.766   1.787
  528   2HG   PRO  71          3HG       PRO  71  90.791  15.237   3.239
  529   1HD   PRO  71          2HD       PRO  71  88.070  16.010   3.076
  530   2HD   PRO  71          3HD       PRO  71  88.993  15.692   4.554
  531    H    TYR  72           HN       TYR  72  87.564  18.828   2.601
  532    HA   TYR  72           HA       TYR  72  86.344  19.707   0.818
  533   1HB   TYR  72          2HB       TYR  72  88.954  21.160   0.271
  534   2HB   TYR  72          3HB       TYR  72  87.404  21.543  -0.471
  535    HD1  TYR  72           HD2      TYR  72  85.473  22.269   0.997
  536    HD2  TYR  72           HD1      TYR  72  89.500  21.936   2.462
  537    HE1  TYR  72           HE2      TYR  72  84.880  23.673   2.951
  538    HE2  TYR  72           HE1      TYR  72  88.903  23.344   4.415
  539    HH   TYR  72           HH       TYR  72  86.675  25.299   4.665
  540    H    ASN  73           HN       ASN  73  87.651  17.172   0.476
  541    HA   ASN  73           HA       ASN  73  88.035  17.235  -2.488
  542   1HB   ASN  73          2HB       ASN  73  90.213  16.944  -1.253
  543   2HB   ASN  73          3HB       ASN  73  89.572  15.434  -0.595
  544   1HD2  ASN  73          HD22      ASN  73  89.316  14.950  -4.548
  545   2HD2  ASN  73          HD21      ASN  73  88.241  15.905  -3.643
  546    H    LEU  74           HN       LEU  74  85.668  16.634  -2.328
  547    HA   LEU  74           HA       LEU  74  85.348  13.721  -1.802
  548   1HB   LEU  74          2HB       LEU  74  83.055  14.116  -1.165
  549   2HB   LEU  74          3HB       LEU  74  84.035  15.272  -0.262
  550    HG   LEU  74           HG       LEU  74  83.545  16.740  -2.472
  551   1HD1  LEU  74          HD11      LEU  74  81.984  14.569  -3.016
  552   2HD1  LEU  74          HD13      LEU  74  80.836  15.580  -2.140
  553   3HD1  LEU  74          HD12      LEU  74  81.624  16.196  -3.590
  554   1HD2  LEU  74          HD21      LEU  74  81.926  16.368   0.039
  555   2HD2  LEU  74          HD23      LEU  74  83.061  17.656  -0.352
  556   3HD2  LEU  74          HD22      LEU  74  81.485  17.598  -1.143
  557    H    TYR  75           HN       TYR  75  85.563  12.887  -3.813
  558    HA   TYR  75           HA       TYR  75  84.783  14.239  -6.226
  559   1HB   TYR  75          2HB       TYR  75  85.386  11.332  -5.646
  560   2HB   TYR  75          3HB       TYR  75  85.039  11.945  -7.263
  561    HD1  TYR  75           HD2      TYR  75  87.397  12.175  -4.399
  562    HD2  TYR  75           HD1      TYR  75  86.646  13.233  -8.496
  563    HE1  TYR  75           HE2      TYR  75  89.752  12.918  -4.636
  564    HE2  TYR  75           HE1      TYR  75  89.002  13.976  -8.732
  565    HH   TYR  75           HH       TYR  75  91.315  13.246  -7.337
  566    H    SER  76           HN       SER  76  83.066  13.645  -7.670
  567    HA   SER  76           HA       SER  76  80.549  13.136  -6.252
  568   1HB   SER  76          2HB       SER  76  79.506  13.768  -8.359
  569   2HB   SER  76          3HB       SER  76  80.788  14.914  -7.975
  570    HG   SER  76           HG       SER  76  81.692  14.342  -9.775
  571    H    SER  77           HN       SER  77  82.795  11.179  -7.958
  572    HA   SER  77           HA       SER  77  80.624   9.187  -8.505
  573   1HB   SER  77          2HB       SER  77  81.902   9.914 -10.507
  574   2HB   SER  77          3HB       SER  77  83.386   9.364  -9.742
  575    HG   SER  77           HG       SER  77  81.105   7.789 -10.369
  576    H    LEU  78           HN       LEU  78  80.820   7.120  -7.673
  577    HA   LEU  78           HA       LEU  78  82.377   6.721  -5.317
  578   1HB   LEU  78          2HB       LEU  78  81.019   4.744  -7.169
  579   2HB   LEU  78          3HB       LEU  78  81.745   4.295  -5.624
  580    HG   LEU  78           HG       LEU  78  79.761   6.551  -5.726
  581   1HD1  LEU  78          HD12      LEU  78  79.175   3.580  -5.709
  582   2HD1  LEU  78          HD11      LEU  78  78.014   4.797  -5.185
  583   3HD1  LEU  78          HD13      LEU  78  78.577   4.778  -6.855
  584   1HD2  LEU  78          HD21      LEU  78  81.276   5.565  -3.724
  585   2HD2  LEU  78          HD23      LEU  78  79.670   6.234  -3.450
  586   3HD2  LEU  78          HD22      LEU  78  79.888   4.492  -3.583
  587    H    LYS  79           HN       LYS  79  82.953   5.807  -8.703
  588    HA   LYS  79           HA       LYS  79  85.233   4.159  -8.273
  589   1HB   LYS  79          2HB       LYS  79  84.649   6.027 -10.593
  590   2HB   LYS  79          3HB       LYS  79  85.841   4.733 -10.603
  591   1HG   LYS  79          2HG       LYS  79  82.888   4.294 -10.108
  592   2HG   LYS  79          3HG       LYS  79  83.663   4.104 -11.676
  593   1HD   LYS  79          2HD       LYS  79  85.254   2.460 -10.539
  594   2HD   LYS  79          3HD       LYS  79  84.154   2.498  -9.161
  595   1HE   LYS  79          2HE       LYS  79  82.815   2.094 -11.756
  596   2HE   LYS  79          3HE       LYS  79  83.907   0.792 -11.291
  597   1HZ   LYS  79           HZ3      LYS  79  82.132   1.817  -9.223
  598   2HZ   LYS  79           HZ2      LYS  79  81.414   0.910 -10.468
  599   3HZ   LYS  79           HZ1      LYS  79  82.650   0.227  -9.521
  600    H    GLU  80           HN       GLU  80  84.899   7.677  -8.592
  601    HA   GLU  80           HA       GLU  80  87.711   8.274  -8.564
  602   1HB   GLU  80          2HB       GLU  80  85.237   9.869  -7.857
  603   2HB   GLU  80          3HB       GLU  80  86.857  10.557  -7.725
  604   1HG   GLU  80          2HG       GLU  80  86.140   9.151 -10.256
  605   2HG   GLU  80          3HG       GLU  80  85.465  10.755  -9.982
  606    H    LEU  81           HN       LEU  81  85.263   8.007  -6.004
  607    HA   LEU  81           HA       LEU  81  86.945   8.783  -3.836
  608   1HB   LEU  81          2HB       LEU  81  84.430   8.470  -3.759
  609   2HB   LEU  81          3HB       LEU  81  84.717   6.729  -3.705
  610    HG   LEU  81           HG       LEU  81  86.105   8.561  -1.756
  611   1HD1  LEU  81          HD11      LEU  81  83.246   7.651  -1.746
  612   2HD1  LEU  81          HD13      LEU  81  84.114   7.787  -0.216
  613   3HD1  LEU  81          HD12      LEU  81  83.926   9.201  -1.254
  614   1HD2  LEU  81          HD22      LEU  81  85.521   5.639  -2.019
  615   2HD2  LEU  81          HD21      LEU  81  86.979   6.445  -1.442
  616   3HD2  LEU  81          HD23      LEU  81  85.566   6.321  -0.396
  617    H    VAL  82           HN       VAL  82  86.321   5.595  -5.314
  618    HA   VAL  82           HA       VAL  82  87.985   4.123  -3.479
  619    HB   VAL  82           HB       VAL  82  87.108   3.537  -6.324
  620   1HG1  VAL  82          HG11      VAL  82  89.069   2.227  -4.618
  621   2HG1  VAL  82          HG13      VAL  82  87.735   1.144  -5.021
  622   3HG1  VAL  82          HG12      VAL  82  88.663   1.912  -6.306
  623   1HG2  VAL  82          HG23      VAL  82  85.609   3.613  -4.041
  624   2HG2  VAL  82          HG22      VAL  82  85.258   2.560  -5.408
  625   3HG2  VAL  82          HG21      VAL  82  86.153   1.938  -4.025
  626    H    LEU  83           HN       LEU  83  88.582   5.473  -6.730
  627    HA   LEU  83           HA       LEU  83  91.338   4.652  -6.863
  628   1HB   LEU  83          2HB       LEU  83  89.747   6.800  -8.283
  629   2HB   LEU  83          3HB       LEU  83  91.451   6.496  -8.629
  630    HG   LEU  83           HG       LEU  83  89.350   4.317  -8.726
  631   1HD1  LEU  83          HD12      LEU  83  90.291   6.264 -10.841
  632   2HD1  LEU  83          HD11      LEU  83  89.649   4.679 -11.269
  633   3HD1  LEU  83          HD13      LEU  83  88.637   5.836 -10.407
  634   1HD2  LEU  83          HD22      LEU  83  92.248   4.626  -9.447
  635   2HD2  LEU  83          HD21      LEU  83  91.434   3.271  -8.665
  636   3HD2  LEU  83          HD23      LEU  83  91.261   3.524 -10.402
  637    H    HIS  84           HN       HIS  84  89.779   7.705  -5.851
  638    HA   HIS  84           HA       HIS  84  92.198   9.153  -5.433
  639   1HB   HIS  84          2HB       HIS  84  89.955  10.205  -5.492
  640   2HB   HIS  84          3HB       HIS  84  89.572   9.452  -3.944
  641    HD1  HIS  84           HD1      HIS  84  92.247  11.749  -5.405
  642    HD2  HIS  84           HD2      HIS  84  90.334  10.996  -1.783
  643    HE1  HIS  84           HE1      HIS  84  93.147  13.446  -3.753
  644    H    TYR  85           HN       TYR  85  90.325   7.088  -3.229
  645    HA   TYR  85           HA       TYR  85  91.905   7.532  -0.898
  646   1HB   TYR  85          2HB       TYR  85  90.100   5.339  -1.853
  647   2HB   TYR  85          3HB       TYR  85  91.046   5.100  -0.394
  648    HD1  TYR  85           HD2      TYR  85  89.341   8.094  -1.848
  649    HD2  TYR  85           HD1      TYR  85  89.680   5.406   1.489
  650    HE1  TYR  85           HE2      TYR  85  87.706   9.456  -0.583
  651    HE2  TYR  85           HE1      TYR  85  88.041   6.772   2.751
  652    HH   TYR  85           HH       TYR  85  86.739   8.564   2.730
  653    H    GLN  86           HN       GLN  86  92.445   5.551  -3.729
  654    HA   GLN  86           HA       GLN  86  94.527   3.882  -2.641
  655   1HB   GLN  86          2HB       GLN  86  93.475   3.357  -4.800
  656   2HB   GLN  86          3HB       GLN  86  94.052   4.876  -5.476
  657   1HG   GLN  86          2HG       GLN  86  96.330   4.173  -5.370
  658   2HG   GLN  86          3HG       GLN  86  95.926   2.798  -4.347
  659   1HE2  GLN  86          HE22      GLN  86  96.040   1.018  -7.466
  660   2HE2  GLN  86          HE21      GLN  86  96.938   1.393  -6.074
  661    H    HIS  87           HN       HIS  87  94.471   7.146  -4.041
  662    HA   HIS  87           HA       HIS  87  97.402   7.306  -3.979
  663   1HB   HIS  87          2HB       HIS  87  95.294   9.394  -4.593
  664   2HB   HIS  87          3HB       HIS  87  97.037   9.665  -4.713
  665    HD1  HIS  87           HD1      HIS  87  98.336   8.113  -6.476
  666    HD2  HIS  87           HD2      HIS  87  94.175   8.064  -6.781
  667    HE1  HIS  87           HE1      HIS  87  97.791   7.071  -8.722
  668    H    THR  88           HN       THR  88  94.742   8.164  -1.878
  669    HA   THR  88           HA       THR  88  96.483   9.903  -0.239
  670    HB   THR  88           HB       THR  88  93.640   8.976   0.285
  671    HG1  THR  88           HG1      THR  88  93.967  10.233  -1.655
  672   1HG2  THR  88          HG23      THR  88  95.585  10.472   1.810
  673   2HG2  THR  88          HG22      THR  88  94.205  11.500   1.415
  674   3HG2  THR  88          HG21      THR  88  93.956   9.977   2.274
  675    H    SER  89           HN       SER  89  97.607   9.214   1.458
  676    HA   SER  89           HA       SER  89  97.570   6.383   2.151
  677   1HB   SER  89          2HB       SER  89  99.137   8.770   3.133
  678   2HB   SER  89          3HB       SER  89  99.404   7.131   3.707
  679    HG   SER  89           HG       SER  89  99.310   7.513   0.965
  680    H    LEU  90           HN       LEU  90  96.563   5.515   3.914
  681    HA   LEU  90           HA       LEU  90  94.639   7.091   5.365
  682   1HB   LEU  90          2HB       LEU  90  95.654   4.269   5.740
  683   2HB   LEU  90          3HB       LEU  90  94.343   4.967   6.691
  684    HG   LEU  90           HG       LEU  90  94.330   4.911   3.668
  685   1HD1  LEU  90          HD13      LEU  90  93.252   2.941   5.694
  686   2HD1  LEU  90          HD12      LEU  90  92.621   3.049   4.050
  687   3HD1  LEU  90          HD11      LEU  90  94.303   2.611   4.318
  688   1HD2  LEU  90          HD23      LEU  90  92.434   5.680   5.858
  689   2HD2  LEU  90          HD22      LEU  90  92.772   6.509   4.340
  690   3HD2  LEU  90          HD21      LEU  90  91.777   5.053   4.348
  691    H    VAL  91           HN       VAL  91  97.983   6.390   6.004
  692    HA   VAL  91           HA       VAL  91  98.343   6.195   8.669
  693    HB   VAL  91           HB       VAL  91  99.887   8.465   8.031
  694   1HG1  VAL  91          HG12      VAL  91 100.313   5.494   8.061
  695   2HG1  VAL  91          HG11      VAL  91 101.614   6.574   7.559
  696   3HG1  VAL  91          HG13      VAL  91 100.930   6.709   9.179
  697   1HG2  VAL  91          HG23      VAL  91  99.030   8.210   5.720
  698   2HG2  VAL  91          HG22      VAL  91 100.767   7.930   5.831
  699   3HG2  VAL  91          HG21      VAL  91  99.658   6.568   5.710
  700    H    GLN  92           HN       GLN  92  97.535   9.307   7.119
  701    HA   GLN  92           HA       GLN  92  97.326  10.893   9.428
  702   1HB   GLN  92          2HB       GLN  92  97.210  11.694   7.042
  703   2HB   GLN  92          3HB       GLN  92  95.552  11.103   6.982
  704   1HG   GLN  92          2HG       GLN  92  94.940  12.591   8.853
  705   2HG   GLN  92          3HG       GLN  92  96.605  13.172   8.938
  706   1HE2  GLN  92          HE22      GLN  92  94.670  15.583   6.835
  707   2HE2  GLN  92          HE21      GLN  92  94.564  15.037   8.442
  708    H    HIS  93           HN       HIS  93  95.046   8.539   8.164
  709    HA   HIS  93           HA       HIS  93  92.681   9.328   9.435
  710   1HB   HIS  93          2HB       HIS  93  92.986   7.305   7.958
  711   2HB   HIS  93          3HB       HIS  93  93.734   6.488   9.328
  712    HD1  HIS  93           HD1      HIS  93  92.174   6.318  11.541
  713    HD2  HIS  93           HD2      HIS  93  90.213   7.219   7.974
  714    HE1  HIS  93           HE1      HIS  93  89.707   5.905  11.952
  715    H    ASN  94           HN       ASN  94  95.356   7.410  10.799
  716    HA   ASN  94           HA       ASN  94  94.624   8.410  13.505
  717   1HB   ASN  94          2HB       ASN  94  93.628   6.119  13.203
  718   2HB   ASN  94          3HB       ASN  94  95.247   5.494  12.903
  719   1HD2  ASN  94          HD22      ASN  94  94.593   5.000  16.528
  720   2HD2  ASN  94          HD21      ASN  94  93.961   4.393  15.075
  721    H    ASP  95           HN       ASP  95  96.732   8.705  11.315
  722    HA   ASP  95           HA       ASP  95  99.040   9.061  11.200
  723   1HB   ASP  95          2HB       ASP  95  98.526  10.272  13.369
  724   2HB   ASP  95          3HB       ASP  95  98.967   8.795  14.221
  725    H    SER  96           HN       SER  96  97.663   6.246  11.894
  726    HA   SER  96           HA       SER  96 100.284   4.848  11.925
  727   1HB   SER  96          2HB       SER  96  99.334   3.138  13.467
  728   2HB   SER  96          3HB       SER  96  99.443   4.728  14.217
  729    HG   SER  96           HG       SER  96  97.297   4.959  14.078
  730    H    LEU  97           HN       LEU  97  97.759   5.466  10.082
  731    HA   LEU  97           HA       LEU  97  97.340   2.632   9.266
  732   1HB   LEU  97          2HB       LEU  97  95.791   5.092   8.410
  733   2HB   LEU  97          3HB       LEU  97  95.412   3.434   7.966
  734    HG   LEU  97           HG       LEU  97  95.286   4.692  10.716
  735   1HD1  LEU  97          HD11      LEU  97  93.394   4.381   8.682
  736   2HD1  LEU  97          HD13      LEU  97  93.066   3.048   9.790
  737   3HD1  LEU  97          HD12      LEU  97  93.050   4.709  10.383
  738   1HD2  LEU  97          HD21      LEU  97  95.408   1.815   9.854
  739   2HD2  LEU  97          HD23      LEU  97  96.205   2.597  11.222
  740   3HD2  LEU  97          HD22      LEU  97  94.472   2.277  11.272
  741    H    ASN  98           HN       ASN  98  99.640   2.871   8.503
  742    HA   ASN  98           HA       ASN  98 100.143   4.520   6.148
  743   1HB   ASN  98          2HB       ASN  98 102.344   3.571   6.181
  744   2HB   ASN  98          3HB       ASN  98 101.866   3.799   7.868
  745   1HD2  ASN  98          HD22      ASN  98 103.213   0.311   7.513
  746   2HD2  ASN  98          HD21      ASN  98 103.852   1.866   7.255
  747    H    VAL  99           HN       VAL  99  98.140   3.525   5.087
  748    HA   VAL  99           HA       VAL  99  99.083   1.541   3.145
  749    HB   VAL  99           HB       VAL  99  96.767   0.988   5.014
  750   1HG1  VAL  99          HG11      VAL  99  97.505  -0.101   2.307
  751   2HG1  VAL  99          HG13      VAL  99  96.671  -1.127   3.477
  752   3HG1  VAL  99          HG12      VAL  99  95.919   0.369   2.918
  753   1HG2  VAL  99          HG23      VAL  99  99.362  -0.443   4.369
  754   2HG2  VAL  99          HG22      VAL  99  98.875   0.242   5.919
  755   3HG2  VAL  99          HG21      VAL  99  98.048  -1.180   5.285
  756    H    THR 100           HN       THR 100  97.594   1.387   1.314
  757    HA   THR 100           HA       THR 100  95.551   3.567   1.251
  758    HB   THR 100           HB       THR 100  96.210   4.116  -1.010
  759    HG1  THR 100           HG1      THR 100  98.069   3.109  -1.883
  760   1HG2  THR 100          HG21      THR 100  97.971   4.362   1.297
  761   2HG2  THR 100          HG23      THR 100  98.861   4.454  -0.218
  762   3HG2  THR 100          HG22      THR 100  97.537   5.575   0.095
  763    H    LEU 101           HN       LEU 101  93.966   3.234  -0.530
  764    HA   LEU 101           HA       LEU 101  93.209   0.394  -0.629
  765   1HB   LEU 101          2HB       LEU 101  91.919   2.919  -1.716
  766   2HB   LEU 101          3HB       LEU 101  91.202   1.310  -1.827
  767    HG   LEU 101           HG       LEU 101  91.527   1.159   0.704
  768   1HD1  LEU 101          HD12      LEU 101  92.595   3.806   0.182
  769   2HD1  LEU 101          HD11      LEU 101  91.285   3.859   1.366
  770   3HD1  LEU 101          HD13      LEU 101  92.690   2.831   1.645
  771   1HD2  LEU 101          HD21      LEU 101  89.481   2.397  -0.890
  772   2HD2  LEU 101          HD23      LEU 101  89.302   1.507   0.621
  773   3HD2  LEU 101          HD22      LEU 101  89.582   3.246   0.656
  774    H    ALA 102           HN       ALA 102  95.369   0.068  -1.848
  775    HA   ALA 102           HA       ALA 102  95.164   0.787  -4.723
  776   1HB   ALA 102           HB1      ALA 102  97.367   0.087  -2.874
  777   2HB   ALA 102           HB3      ALA 102  97.529  -0.543  -4.515
  778   3HB   ALA 102           HB2      ALA 102  97.359   1.190  -4.250
  779    H    TYR 103           HN       TYR 103  94.942  -2.056  -2.628
  780    HA   TYR 103           HA       TYR 103  94.793  -3.692  -5.117
  781   1HB   TYR 103          2HB       TYR 103  95.434  -4.553  -2.293
  782   2HB   TYR 103          3HB       TYR 103  95.247  -5.656  -3.655
  783    HD1  TYR 103           HD1      TYR 103  96.869  -5.717  -5.472
  784    HD2  TYR 103           HD2      TYR 103  97.342  -3.026  -2.161
  785    HE1  TYR 103           HE1      TYR 103  99.220  -5.309  -6.142
  786    HE2  TYR 103           HE2      TYR 103  99.696  -2.615  -2.831
  787    HH   TYR 103           HH       TYR 103 101.427  -3.515  -4.115
  788    HA   PRO 104           HA       PRO 104  90.423  -4.217  -4.200
  789   1HB   PRO 104          2HB       PRO 104  89.895  -5.987  -6.169
  790   2HB   PRO 104          3HB       PRO 104  90.237  -4.276  -6.497
  791   1HG   PRO 104          2HG       PRO 104  92.048  -6.637  -6.725
  792   2HG   PRO 104          3HG       PRO 104  91.835  -5.273  -7.832
  793   1HD   PRO 104          2HD       PRO 104  93.890  -5.435  -6.046
  794   2HD   PRO 104          3HD       PRO 104  93.215  -3.889  -6.604
  795    H    VAL 105           HN       VAL 105  89.225  -5.703  -2.997
  796    HA   VAL 105           HA       VAL 105  90.641  -7.981  -1.880
  797    HB   VAL 105           HB       VAL 105  89.105  -6.655  -0.520
  798   1HG1  VAL 105          HG12      VAL 105  87.209  -7.412  -2.689
  799   2HG1  VAL 105          HG11      VAL 105  86.572  -7.361  -1.051
  800   3HG1  VAL 105          HG13      VAL 105  87.307  -5.923  -1.754
  801   1HG2  VAL 105          HG23      VAL 105  89.521  -9.087  -0.056
  802   2HG2  VAL 105          HG22      VAL 105  87.965  -8.523   0.541
  803   3HG2  VAL 105          HG21      VAL 105  88.052  -9.462  -0.948
  804    H    TYR 106           HN       TYR 106  88.091  -7.640  -4.335
  805    HA   TYR 106           HA       TYR 106  88.352 -10.582  -4.746
  806   1HB   TYR 106          2HB       TYR 106  85.887  -8.943  -4.419
  807   2HB   TYR 106          3HB       TYR 106  85.843 -10.249  -5.593
  808    HD1  TYR 106           HD1      TYR 106  86.904 -12.540  -4.743
  809    HD2  TYR 106           HD2      TYR 106  85.341  -9.459  -2.198
  810    HE1  TYR 106           HE1      TYR 106  86.570 -14.200  -2.934
  811    HE2  TYR 106           HE2      TYR 106  85.006 -11.120  -0.384
  812    HH   TYR 106           HH       TYR 106  86.309 -14.330  -0.587
  813    H    ALA 107           HN       ALA 107  89.981  -9.283  -6.282
  814    HA   ALA 107           HA       ALA 107  88.607  -8.404  -8.746
  815   1HB   ALA 107           HB3      ALA 107  91.530  -8.574  -7.963
  816   2HB   ALA 107           HB2      ALA 107  91.001  -8.121  -9.579
  817   3HB   ALA 107           HB1      ALA 107  90.563  -7.123  -8.199
  818    H    GLN 108           HN       GLN 108  88.392  -9.638 -10.549
  819    HA   GLN 108           HA       GLN 108  88.853 -12.492 -10.359
  820   1HB   GLN 108          2HB       GLN 108  88.011 -10.743 -12.689
  821   2HB   GLN 108          3HB       GLN 108  88.007 -12.508 -12.710
  822   1HG   GLN 108          2HG       GLN 108  86.461 -12.513 -10.768
  823   2HG   GLN 108          3HG       GLN 108  86.421 -10.751 -10.813
  824   1HE2  GLN 108          HE22      GLN 108  83.736 -10.862 -13.086
  825   2HE2  GLN 108          HE21      GLN 108  84.428 -10.162 -11.697
  826    H    GLN 109           HN       GLN 109  90.465 -13.704 -11.290
  827    HA   GLN 109           HA       GLN 109  92.814 -12.231 -12.324
  828   1HB   GLN 109          2HB       GLN 109  93.028 -13.970 -10.516
  829   2HB   GLN 109          3HB       GLN 109  92.516 -15.183 -11.685
  830   1HG   GLN 109          2HG       GLN 109  94.446 -14.682 -13.100
  831   2HG   GLN 109          3HG       GLN 109  94.937 -13.383 -12.009
  832   1HE2  GLN 109          HE22      GLN 109  95.488 -16.070  -9.381
  833   2HE2  GLN 109          HE21      GLN 109  94.344 -14.824  -9.519
  834    H    ARG 110           HN       ARG 110  90.083 -13.514 -13.642
  835    HA   ARG 110           HA       ARG 110  91.001 -15.121 -15.810
  836   1HB   ARG 110          2HB       ARG 110  88.582 -13.363 -15.427
  837   2HB   ARG 110          3HB       ARG 110  88.833 -14.278 -16.911
  838   1HG   ARG 110          2HG       ARG 110  88.999 -16.364 -15.557
  839   2HG   ARG 110          3HG       ARG 110  88.646 -15.420 -14.105
  840   1HD   ARG 110          2HD       ARG 110  86.550 -14.607 -15.305
  841   2HD   ARG 110          3HD       ARG 110  86.856 -15.861 -16.497
  842    HE   ARG 110           HE       ARG 110  86.910 -17.224 -14.098
  843   1HH1  ARG 110          HH21      ARG 110  84.761 -15.060 -15.711
  844   2HH1  ARG 110          HH22      ARG 110  83.333 -15.735 -14.997
  845   1HH2  ARG 110          HH11      ARG 110  85.065 -18.102 -13.140
  846   2HH2  ARG 110          HH12      ARG 110  83.511 -17.443 -13.524
  847    H    ARG 111           HN       ARG 111  90.595 -11.580 -15.552
  848    HA   ARG 111           HA       ARG 111  91.762 -11.309 -18.287
  849   1HB   ARG 111          2HB       ARG 111  90.412  -9.290 -16.466
  850   2HB   ARG 111          3HB       ARG 111  91.096  -8.905 -18.042
  851   1HG   ARG 111          2HG       ARG 111  88.964  -9.355 -18.760
  852   2HG   ARG 111          3HG       ARG 111  89.570 -11.001 -18.764
  853   1HD   ARG 111          2HD       ARG 111  87.961 -11.556 -17.305
  854   2HD   ARG 111          3HD       ARG 111  88.723 -10.517 -16.110
  855    HE   ARG 111           HE       ARG 111  86.200 -10.024 -17.187
  856   1HH1  ARG 111          HH21      ARG 111  89.239  -8.401 -17.136
  857   2HH1  ARG 111          HH22      ARG 111  88.554  -6.824 -17.322
  858   1HH2  ARG 111          HH11      ARG 111  85.290  -7.973 -17.442
  859   2HH2  ARG 111          HH12      ARG 111  86.319  -6.584 -17.508
   
  No H/Q in entry =         859
  Start of MODEL    8
    1   1H    GLU   1           HT3      GLU   1  96.529  -5.229 -15.104
    2   2H    GLU   1           HT2      GLU   1  97.564  -6.320 -15.896
    3   3H    GLU   1           HT1      GLU   1  98.202  -4.972 -15.082
    4    HA   GLU   1           HA       GLU   1  98.247  -4.034 -17.103
    5   1HB   GLU   1          2HB       GLU   1  95.999  -5.932 -17.840
    6   2HB   GLU   1          3HB       GLU   1  96.764  -4.801 -18.955
    7   1HG   GLU   1          2HG       GLU   1  98.943  -5.900 -18.573
    8   2HG   GLU   1          3HG       GLU   1  98.167  -7.042 -17.474
    9    H    ASP   2           HN       ASP   2  94.779  -4.791 -16.963
   10    HA   ASP   2           HA       ASP   2  94.090  -1.970 -17.171
   11   1HB   ASP   2          2HB       ASP   2  91.769  -2.762 -17.046
   12   2HB   ASP   2          3HB       ASP   2  92.685  -3.770 -18.169
   13    H    LEU   3           HN       LEU   3  92.478  -1.040 -15.504
   14    HA   LEU   3           HA       LEU   3  93.673  -1.437 -12.837
   15   1HB   LEU   3          2HB       LEU   3  91.651   0.596 -13.814
   16   2HB   LEU   3          3HB       LEU   3  92.410   0.596 -12.224
   17    HG   LEU   3           HG       LEU   3  93.892   0.796 -14.865
   18   1HD1  LEU   3          HD13      LEU   3  93.080   2.851 -12.799
   19   2HD1  LEU   3          HD12      LEU   3  94.401   3.133 -13.939
   20   3HD1  LEU   3          HD11      LEU   3  92.762   2.865 -14.536
   21   1HD2  LEU   3          HD21      LEU   3  94.738   0.631 -11.986
   22   2HD2  LEU   3          HD23      LEU   3  95.444  -0.149 -13.400
   23   3HD2  LEU   3          HD22      LEU   3  95.711   1.570 -13.120
   24    HA   PRO   4           HA       PRO   4  90.299  -4.308 -11.803
   25   1HB   PRO   4          2HB       PRO   4  91.272  -3.615  -9.081
   26   2HB   PRO   4          3HB       PRO   4  91.006  -5.211  -9.804
   27   1HG   PRO   4          2HG       PRO   4  93.451  -4.209  -9.447
   28   2HG   PRO   4          3HG       PRO   4  93.047  -5.224 -10.839
   29   1HD   PRO   4          2HD       PRO   4  93.534  -2.293 -10.730
   30   2HD   PRO   4          3HD       PRO   4  93.782  -3.438 -12.066
   31    H    HIS   5           HN       HIS   5  90.779  -1.052 -10.774
   32    HA   HIS   5           HA       HIS   5  88.490  -0.783  -9.071
   33   1HB   HIS   5          2HB       HIS   5  89.903   1.305 -10.750
   34   2HB   HIS   5          3HB       HIS   5  88.816   1.628  -9.394
   35    HD1  HIS   5           HD1      HIS   5  89.605   0.320  -7.067
   36    HD2  HIS   5           HD2      HIS   5  92.541   1.051  -9.942
   37    HE1  HIS   5           HE1      HIS   5  91.838   0.099  -5.890
   38    H    HIS   6           HN       HIS   6  88.808  -1.014 -12.514
   39    HA   HIS   6           HA       HIS   6  86.488   0.436 -13.319
   40   1HB   HIS   6          2HB       HIS   6  87.867  -1.993 -14.482
   41   2HB   HIS   6          3HB       HIS   6  86.506  -1.196 -15.275
   42    HD1  HIS   6           HD1      HIS   6  86.891   1.503 -15.681
   43    HD2  HIS   6           HD2      HIS   6  90.313  -0.802 -15.115
   44    HE1  HIS   6           HE1      HIS   6  88.840   2.895 -16.501
   45    H    ASP   7           HN       ASP   7  86.870  -2.868 -12.054
   46    HA   ASP   7           HA       ASP   7  83.980  -3.383 -12.352
   47   1HB   ASP   7          2HB       ASP   7  85.744  -5.157 -12.798
   48   2HB   ASP   7          3HB       ASP   7  86.052  -5.168 -11.062
   49    H    GLU   8           HN       GLU   8  82.594  -2.883 -10.735
   50    HA   GLU   8           HA       GLU   8  83.422  -1.787  -8.231
   51   1HB   GLU   8          2HB       GLU   8  81.225  -1.336  -9.343
   52   2HB   GLU   8          3HB       GLU   8  80.735  -2.988  -8.963
   53   1HG   GLU   8          2HG       GLU   8  80.607  -2.574  -6.690
   54   2HG   GLU   8          3HG       GLU   8  81.731  -1.220  -6.761
   55    H    LYS   9           HN       LYS   9  82.645  -5.017  -9.273
   56    HA   LYS   9           HA       LYS   9  82.242  -6.274  -6.760
   57   1HB   LYS   9          2HB       LYS   9  81.610  -7.536  -8.595
   58   2HB   LYS   9          3HB       LYS   9  83.069  -7.171  -9.490
   59   1HG   LYS   9          2HG       LYS   9  83.275  -8.734  -6.931
   60   2HG   LYS   9          3HG       LYS   9  82.713  -9.562  -8.375
   61   1HD   LYS   9          2HD       LYS   9  85.417  -8.332  -7.842
   62   2HD   LYS   9          3HD       LYS   9  85.039  -9.956  -8.377
   63   1HE   LYS   9          2HE       LYS   9  85.075  -7.407  -9.976
   64   2HE   LYS   9          3HE       LYS   9  85.853  -8.946 -10.326
   65   1HZ   LYS   9           HZ3      LYS   9  82.971  -9.064 -10.110
   66   2HZ   LYS   9           HZ2      LYS   9  83.550  -8.157 -11.424
   67   3HZ   LYS   9           HZ1      LYS   9  84.011  -9.782 -11.243
   68    H    THR  10           HN       THR  10  85.231  -5.531  -8.479
   69    HA   THR  10           HA       THR  10  87.051  -7.140  -7.088
   70    HB   THR  10           HB       THR  10  88.662  -5.188  -7.515
   71    HG1  THR  10           HG1      THR  10  86.264  -4.172  -8.593
   72   1HG2  THR  10          HG22      THR  10  87.065  -6.702  -9.489
   73   2HG2  THR  10          HG21      THR  10  88.040  -5.372 -10.111
   74   3HG2  THR  10          HG23      THR  10  88.806  -6.684  -9.222
   75    H    TRP  11           HN       TRP  11  85.654  -4.042  -6.067
   76    HA   TRP  11           HA       TRP  11  86.912  -4.501  -3.383
   77   1HB   TRP  11          2HB       TRP  11  86.170  -1.866  -3.365
   78   2HB   TRP  11          3HB       TRP  11  87.778  -2.443  -3.817
   79    HD1  TRP  11           HD1      TRP  11  88.000  -3.129  -6.506
   80    HE1  TRP  11           HE1      TRP  11  87.099  -1.857  -8.556
   81    HE3  TRP  11           HE3      TRP  11  84.439  -0.300  -4.248
   82    HZ2  TRP  11           HZ2      TRP  11  85.105   0.153  -9.135
   83    HZ3  TRP  11           HZ3      TRP  11  83.055   1.292  -5.545
   84    HH2  TRP  11           HH2      TRP  11  83.385   1.521  -7.991
   85    H    ASN  12           HN       ASN  12  83.933  -4.101  -5.097
   86    HA   ASN  12           HA       ASN  12  82.450  -3.423  -2.645
   87   1HB   ASN  12          2HB       ASN  12  81.844  -2.451  -4.871
   88   2HB   ASN  12          3HB       ASN  12  81.363  -4.073  -5.383
   89   1HD2  ASN  12          HD22      ASN  12  78.467  -2.122  -3.757
   90   2HD2  ASN  12          HD21      ASN  12  79.610  -1.616  -4.906
   91    H    VAL  13           HN       VAL  13  81.656  -4.929  -1.282
   92    HA   VAL  13           HA       VAL  13  81.461  -7.747  -2.238
   93    HB   VAL  13           HB       VAL  13  81.291  -8.309   0.182
   94   1HG1  VAL  13          HG12      VAL  13  83.510  -7.789  -1.188
   95   2HG1  VAL  13          HG11      VAL  13  83.649  -6.487  -0.010
   96   3HG1  VAL  13          HG13      VAL  13  83.565  -8.160   0.536
   97   1HG2  VAL  13          HG23      VAL  13  80.397  -5.788   0.554
   98   2HG2  VAL  13          HG22      VAL  13  81.146  -6.726   1.846
   99   3HG2  VAL  13          HG21      VAL  13  82.101  -5.546   0.948
  100    H    GLY  14           HN       GLY  14  79.541  -5.014  -1.453
  101   1HA   GLY  14          2HA       GLY  14  77.198  -4.783  -1.687
  102   2HA   GLY  14          3HA       GLY  14  77.091  -6.511  -2.017
  103    H    SER  15           HN       SER  15  75.474  -7.066  -0.555
  104    HA   SER  15           HA       SER  15  75.588  -6.108   2.208
  105   1HB   SER  15          2HB       SER  15  73.409  -6.487   1.084
  106   2HB   SER  15          3HB       SER  15  73.784  -8.202   0.945
  107    HG   SER  15           HG       SER  15  72.536  -7.811   2.793
  108    H    SER  16           HN       SER  16  77.266  -6.949   3.360
  109    HA   SER  16           HA       SER  16  77.493  -9.927   3.496
  110   1HB   SER  16          2HB       SER  16  79.287  -9.120   2.053
  111   2HB   SER  16          3HB       SER  16  79.745  -7.909   3.245
  112    HG   SER  16           HG       SER  16  79.650 -10.640   3.931
  113    H    ASN  17           HN       ASN  17  77.663 -10.683   5.593
  114    HA   ASN  17           HA       ASN  17  77.231  -8.893   7.786
  115   1HB   ASN  17          2HB       ASN  17  78.110 -11.795   7.700
  116   2HB   ASN  17          3HB       ASN  17  77.774 -10.932   9.201
  117   1HD2  ASN  17          HD22      ASN  17  74.662 -12.634   7.657
  118   2HD2  ASN  17          HD21      ASN  17  76.254 -13.212   7.748
  119    H    ARG  18           HN       ARG  18  78.671  -8.075   9.327
  120    HA   ARG  18           HA       ARG  18  81.334  -7.508   8.494
  121   1HB   ARG  18          2HB       ARG  18  79.956  -7.345  11.183
  122   2HB   ARG  18          3HB       ARG  18  81.643  -6.872  10.971
  123   1HG   ARG  18          2HG       ARG  18  80.969  -5.302   9.193
  124   2HG   ARG  18          3HG       ARG  18  79.280  -5.741   9.438
  125   1HD   ARG  18          2HD       ARG  18  79.401  -4.933  11.754
  126   2HD   ARG  18          3HD       ARG  18  81.103  -4.529  11.545
  127    HE   ARG  18           HE       ARG  18  78.879  -2.873  10.813
  128   1HH1  ARG  18          HH21      ARG  18  81.914  -3.950   9.525
  129   2HH1  ARG  18          HH22      ARG  18  81.964  -2.729   8.300
  130   1HH2  ARG  18          HH11      ARG  18  78.920  -1.318   9.196
  131   2HH2  ARG  18          HH12      ARG  18  80.258  -1.252   8.095
  132    H    ASN  19           HN       ASN  19  79.973 -10.123  10.439
  133    HA   ASN  19           HA       ASN  19  82.418 -11.158  11.481
  134   1HB   ASN  19          2HB       ASN  19  80.064 -11.906  12.104
  135   2HB   ASN  19          3HB       ASN  19  80.037 -12.818  10.595
  136   1HD2  ASN  19          HD22      ASN  19  81.295 -15.387  12.784
  137   2HD2  ASN  19          HD21      ASN  19  79.855 -14.741  12.155
  138    H    LYS  20           HN       LYS  20  80.702 -11.741   8.426
  139    HA   LYS  20           HA       LYS  20  82.553 -13.655   7.369
  140   1HB   LYS  20          2HB       LYS  20  80.307 -13.191   6.359
  141   2HB   LYS  20          3HB       LYS  20  80.912 -11.624   5.818
  142   1HG   LYS  20          2HG       LYS  20  82.725 -12.784   4.573
  143   2HG   LYS  20          3HG       LYS  20  82.027 -14.335   5.041
  144   1HD   LYS  20          2HD       LYS  20  79.903 -13.689   3.917
  145   2HD   LYS  20          3HD       LYS  20  80.662 -12.183   3.392
  146   1HE   LYS  20          2HE       LYS  20  80.937 -13.614   1.541
  147   2HE   LYS  20          3HE       LYS  20  82.492 -13.708   2.371
  148   1HZ   LYS  20           HZ1      LYS  20  81.629 -15.696   3.538
  149   2HZ   LYS  20           HZ3      LYS  20  80.248 -15.640   2.555
  150   3HZ   LYS  20           HZ2      LYS  20  81.774 -15.907   1.858
  151    H    ALA  21           HN       ALA  21  82.471 -10.147   7.477
  152    HA   ALA  21           HA       ALA  21  84.599  -9.621   5.646
  153   1HB   ALA  21           HB1      ALA  21  82.939  -8.024   7.084
  154   2HB   ALA  21           HB3      ALA  21  84.404  -7.892   8.060
  155   3HB   ALA  21           HB2      ALA  21  84.434  -7.439   6.356
  156    H    GLU  22           HN       GLU  22  84.556 -10.533   9.055
  157    HA   GLU  22           HA       GLU  22  87.306 -10.048   9.613
  158   1HB   GLU  22          2HB       GLU  22  85.360 -12.089  10.725
  159   2HB   GLU  22          3HB       GLU  22  86.999 -11.890  11.345
  160   1HG   GLU  22          2HG       GLU  22  86.515  -9.500  11.819
  161   2HG   GLU  22          3HG       GLU  22  84.864  -9.735  11.245
  162    H    ASN  23           HN       ASN  23  85.675 -12.967   8.331
  163    HA   ASN  23           HA       ASN  23  88.053 -14.532   8.065
  164   1HB   ASN  23          2HB       ASN  23  85.400 -14.599   6.607
  165   2HB   ASN  23          3HB       ASN  23  86.676 -15.777   6.315
  166   1HD2  ASN  23          HD22      ASN  23  84.363 -17.103   8.978
  167   2HD2  ASN  23          HD21      ASN  23  84.151 -16.604   7.370
  168    H    LEU  24           HN       LEU  24  86.366 -12.305   5.854
  169    HA   LEU  24           HA       LEU  24  88.200 -12.633   3.645
  170   1HB   LEU  24          2HB       LEU  24  86.333 -10.363   4.391
  171   2HB   LEU  24          3HB       LEU  24  87.218 -10.457   2.868
  172    HG   LEU  24           HG       LEU  24  85.273 -12.553   3.869
  173   1HD1  LEU  24          HD12      LEU  24  84.895 -10.060   2.372
  174   2HD1  LEU  24          HD11      LEU  24  84.251 -11.478   1.542
  175   3HD1  LEU  24          HD13      LEU  24  83.707 -11.089   3.170
  176   1HD2  LEU  24          HD21      LEU  24  87.027 -12.276   1.443
  177   2HD2  LEU  24          HD23      LEU  24  86.720 -13.701   2.438
  178   3HD2  LEU  24          HD22      LEU  24  85.492 -13.133   1.306
  179    H    LEU  25           HN       LEU  25  88.053 -10.456   6.436
  180    HA   LEU  25           HA       LEU  25  90.425  -8.997   5.484
  181   1HB   LEU  25          2HB       LEU  25  88.734  -8.804   7.982
  182   2HB   LEU  25          3HB       LEU  25  90.167  -7.815   7.715
  183    HG   LEU  25           HG       LEU  25  87.926  -7.939   5.687
  184   1HD1  LEU  25          HD11      LEU  25  87.216  -7.178   8.060
  185   2HD1  LEU  25          HD13      LEU  25  88.223  -5.762   7.757
  186   3HD1  LEU  25          HD12      LEU  25  86.844  -6.103   6.712
  187   1HD2  LEU  25          HD22      LEU  25  90.490  -6.676   5.876
  188   2HD2  LEU  25          HD21      LEU  25  89.338  -6.609   4.552
  189   3HD2  LEU  25          HD23      LEU  25  89.255  -5.424   5.856
  190    H    ARG  26           HN       ARG  26  89.727 -11.802   7.335
  191    HA   ARG  26           HA       ARG  26  92.119 -11.673   8.979
  192   1HB   ARG  26          2HB       ARG  26  89.921 -13.638   8.566
  193   2HB   ARG  26          3HB       ARG  26  91.460 -14.285   9.140
  194   1HG   ARG  26          2HG       ARG  26  91.374 -12.368  10.889
  195   2HG   ARG  26          3HG       ARG  26  89.672 -12.241  10.458
  196   1HD   ARG  26          2HD       ARG  26  89.857 -13.723  12.358
  197   2HD   ARG  26          3HD       ARG  26  89.442 -14.696  10.948
  198    HE   ARG  26           HE       ARG  26  92.204 -14.782  10.998
  199   1HH1  ARG  26          HH21      ARG  26  89.687 -15.335  13.288
  200   2HH1  ARG  26          HH22      ARG  26  90.534 -16.598  14.116
  201   1HH2  ARG  26          HH11      ARG  26  93.327 -16.436  12.075
  202   2HH2  ARG  26          HH12      ARG  26  92.596 -17.210  13.439
  203    H    GLY  27           HN       GLY  27  91.349 -12.687   5.849
  204   1HA   GLY  27          2HA       GLY  27  94.048 -13.952   5.590
  205   2HA   GLY  27          3HA       GLY  27  92.687 -14.324   4.528
  206    H    LYS  28           HN       LYS  28  93.015 -11.068   5.536
  207    HA   LYS  28           HA       LYS  28  93.839 -10.378   2.757
  208   1HB   LYS  28          2HB       LYS  28  91.650  -9.543   3.536
  209   2HB   LYS  28          3HB       LYS  28  92.464  -8.682   4.841
  210   1HG   LYS  28          2HG       LYS  28  93.699  -7.337   3.252
  211   2HG   LYS  28          3HG       LYS  28  93.024  -8.253   1.900
  212   1HD   LYS  28          2HD       LYS  28  91.396  -6.669   3.899
  213   2HD   LYS  28          3HD       LYS  28  91.819  -6.101   2.286
  214   1HE   LYS  28          2HE       LYS  28  89.847  -8.183   3.098
  215   2HE   LYS  28          3HE       LYS  28  89.785  -7.035   1.763
  216   1HZ   LYS  28           HZ2      LYS  28  91.687  -9.297   1.820
  217   2HZ   LYS  28           HZ1      LYS  28  90.126  -9.443   1.165
  218   3HZ   LYS  28           HZ3      LYS  28  91.227  -8.340   0.491
  219    H    ARG  29           HN       ARG  29  95.698  -9.361   2.379
  220    HA   ARG  29           HA       ARG  29  97.513  -8.767   4.609
  221   1HB   ARG  29          2HB       ARG  29  97.863  -8.576   1.599
  222   2HB   ARG  29          3HB       ARG  29  99.153  -8.329   2.779
  223   1HG   ARG  29          2HG       ARG  29  98.773 -10.629   3.643
  224   2HG   ARG  29          3HG       ARG  29  97.535 -10.867   2.412
  225   1HD   ARG  29          2HD       ARG  29 100.418 -10.159   1.788
  226   2HD   ARG  29          3HD       ARG  29  99.780 -11.806   1.777
  227    HE   ARG  29           HE       ARG  29  98.060 -10.424   0.099
  228   1HH1  ARG  29          HH21      ARG  29 101.461 -10.802   0.399
  229   2HH1  ARG  29          HH22      ARG  29 101.761 -10.710  -1.305
  230   1HH2  ARG  29          HH11      ARG  29  98.425 -10.335  -2.137
  231   2HH2  ARG  29          HH12      ARG  29 100.041 -10.487  -2.739
  232    H    ASP  30           HN       ASP  30  98.755  -6.650   4.543
  233    HA   ASP  30           HA       ASP  30  96.984  -4.400   4.724
  234   1HB   ASP  30          2HB       ASP  30  99.145  -4.570   5.944
  235   2HB   ASP  30          3HB       ASP  30 100.004  -4.387   4.415
  236    H    GLY  31           HN       GLY  31  96.564  -2.725   3.312
  237   1HA   GLY  31          2HA       GLY  31  96.999  -1.397   1.322
  238   2HA   GLY  31          3HA       GLY  31  97.881  -2.763   0.641
  239    H    THR  32           HN       THR  32  95.574  -4.496   1.715
  240    HA   THR  32           HA       THR  32  93.891  -4.153  -0.708
  241    HB   THR  32           HB       THR  32  93.980  -6.397   1.316
  242    HG1  THR  32           HG1      THR  32  95.734  -6.878   0.314
  243   1HG2  THR  32          HG21      THR  32  91.865  -6.076  -0.080
  244   2HG2  THR  32          HG23      THR  32  92.854  -6.424  -1.497
  245   3HG2  THR  32          HG22      THR  32  92.650  -7.646  -0.241
  246    H    PHE  33           HN       PHE  33  91.703  -3.547  -0.532
  247    HA   PHE  33           HA       PHE  33  90.548  -3.575   2.200
  248   1HB   PHE  33          2HB       PHE  33  90.062  -1.351   2.298
  249   2HB   PHE  33          3HB       PHE  33  91.517  -1.236   1.310
  250    HD1  PHE  33           HD1      PHE  33  90.921  -1.741  -1.350
  251    HD2  PHE  33           HD2      PHE  33  88.293  -0.116   1.627
  252    HE1  PHE  33           HE1      PHE  33  89.531  -0.695  -3.117
  253    HE2  PHE  33           HE2      PHE  33  86.912   0.908  -0.162
  254    HZ   PHE  33           HZ       PHE  33  87.531   0.606  -2.510
  255    H    LEU  34           HN       LEU  34  88.135  -2.962   2.037
  256    HA   LEU  34           HA       LEU  34  86.953  -3.913  -0.532
  257   1HB   LEU  34          2HB       LEU  34  85.497  -5.478   0.636
  258   2HB   LEU  34          3HB       LEU  34  87.166  -5.841   1.074
  259    HG   LEU  34           HG       LEU  34  86.167  -3.864   2.896
  260   1HD1  LEU  34          HD13      LEU  34  84.355  -6.197   2.349
  261   2HD1  LEU  34          HD12      LEU  34  84.495  -5.533   3.978
  262   3HD1  LEU  34          HD11      LEU  34  83.938  -4.512   2.654
  263   1HD2  LEU  34          HD23      LEU  34  86.976  -6.764   3.136
  264   2HD2  LEU  34          HD22      LEU  34  87.967  -5.340   3.456
  265   3HD2  LEU  34          HD21      LEU  34  86.623  -5.739   4.525
  266    H    VAL  35           HN       VAL  35  84.712  -3.212  -0.810
  267    HA   VAL  35           HA       VAL  35  84.038  -0.911   0.952
  268    HB   VAL  35           HB       VAL  35  83.182  -1.555  -1.875
  269   1HG1  VAL  35          HG12      VAL  35  82.005   0.211   0.188
  270   2HG1  VAL  35          HG11      VAL  35  82.274   0.966  -1.385
  271   3HG1  VAL  35          HG13      VAL  35  81.270  -0.476  -1.261
  272   1HG2  VAL  35          HG21      VAL  35  84.764   0.721  -0.648
  273   2HG2  VAL  35          HG23      VAL  35  85.438  -0.603  -1.595
  274   3HG2  VAL  35          HG22      VAL  35  84.355   0.566  -2.347
  275    H    ARG  36           HN       ARG  36  82.128  -0.943   2.110
  276    HA   ARG  36           HA       ARG  36  80.188  -3.114   1.533
  277   1HB   ARG  36          2HB       ARG  36  82.114  -3.566   3.360
  278   2HB   ARG  36          3HB       ARG  36  80.986  -2.705   4.390
  279   1HG   ARG  36          2HG       ARG  36  79.851  -4.863   2.668
  280   2HG   ARG  36          3HG       ARG  36  80.887  -5.375   3.992
  281   1HD   ARG  36          2HD       ARG  36  79.152  -5.142   5.392
  282   2HD   ARG  36          3HD       ARG  36  79.147  -3.407   5.062
  283    HE   ARG  36           HE       ARG  36  77.747  -4.337   2.938
  284   1HH1  ARG  36          HH21      ARG  36  77.666  -5.122   6.293
  285   2HH1  ARG  36          HH22      ARG  36  75.943  -5.290   6.348
  286   1HH2  ARG  36          HH11      ARG  36  75.508  -4.551   2.986
  287   2HH2  ARG  36          HH12      ARG  36  74.718  -4.966   4.472
  288    H    GLU  37           HN       GLU  37  78.466  -2.746   3.666
  289    HA   GLU  37           HA       GLU  37  77.654   0.081   3.234
  290   1HB   GLU  37          2HB       GLU  37  75.984  -2.052   4.560
  291   2HB   GLU  37          3HB       GLU  37  75.443  -0.615   3.684
  292   1HG   GLU  37          2HG       GLU  37  76.690  -1.726   1.658
  293   2HG   GLU  37          3HG       GLU  37  76.502  -3.208   2.602
  294    H    SER  38           HN       SER  38  76.309   0.793   5.394
  295    HA   SER  38           HA       SER  38  78.320   0.835   7.529
  296   1HB   SER  38          2HB       SER  38  75.461   1.875   7.492
  297   2HB   SER  38          3HB       SER  38  76.658   2.220   8.734
  298    HG   SER  38           HG       SER  38  77.139   3.833   7.481
  299    H    SER  39           HN       SER  39  76.650  -1.508   6.420
  300    HA   SER  39           HA       SER  39  75.811  -3.511   7.240
  301   1HB   SER  39          2HB       SER  39  76.854  -2.467   9.895
  302   2HB   SER  39          3HB       SER  39  76.372  -4.126   9.565
  303    HG   SER  39           HG       SER  39  78.219  -2.957   7.842
  304    H    LYS  40           HN       LYS  40  74.387  -0.734   7.524
  305    HA   LYS  40           HA       LYS  40  71.908  -1.797   8.527
  306   1HB   LYS  40          2HB       LYS  40  73.100  -1.477  10.686
  307   2HB   LYS  40          3HB       LYS  40  73.295   0.232  10.298
  308   1HG   LYS  40          2HG       LYS  40  71.174   0.707  10.895
  309   2HG   LYS  40          3HG       LYS  40  70.536  -0.643   9.957
  310   1HD   LYS  40          2HD       LYS  40  71.175  -2.188  11.794
  311   2HD   LYS  40          3HD       LYS  40  71.730  -0.801  12.737
  312   1HE   LYS  40          2HE       LYS  40  69.453  -1.361  13.400
  313   2HE   LYS  40          3HE       LYS  40  69.461   0.189  12.563
  314   1HZ   LYS  40           HZ2      LYS  40  69.145  -1.606  10.553
  315   2HZ   LYS  40           HZ1      LYS  40  68.216  -2.285  11.802
  316   3HZ   LYS  40           HZ3      LYS  40  67.899  -0.707  11.274
  317    H    GLN  41           HN       GLN  41  73.203   1.499   8.940
  318    HA   GLN  41           HA       GLN  41  70.981   2.751   7.672
  319   1HB   GLN  41          2HB       GLN  41  73.825   3.720   8.073
  320   2HB   GLN  41          3HB       GLN  41  72.494   4.748   7.531
  321   1HG   GLN  41          2HG       GLN  41  71.247   4.236   9.581
  322   2HG   GLN  41          3HG       GLN  41  72.552   3.184  10.125
  323   1HE2  GLN  41          HE22      GLN  41  72.982   6.621  11.596
  324   2HE2  GLN  41          HE21      GLN  41  71.704   5.502  11.602
  325    H    GLY  42           HN       GLY  42  70.729   3.587   5.576
  326   1HA   GLY  42          2HA       GLY  42  71.757   2.027   3.428
  327   2HA   GLY  42          3HA       GLY  42  70.914   3.566   3.248
  328    H    CYS  43           HN       CYS  43  73.591   3.889   5.301
  329    HA   CYS  43           HA       CYS  43  74.983   5.457   3.264
  330   1HB   CYS  43          2HB       CYS  43  75.721   4.806   6.134
  331   2HB   CYS  43          3HB       CYS  43  76.612   5.922   5.100
  332    HG   CYS  43           HG       CYS  43  74.436   7.432   5.009
  333    H    TYR  44           HN       TYR  44  77.456   5.082   3.018
  334    HA   TYR  44           HA       TYR  44  77.875   2.151   2.670
  335   1HB   TYR  44          2HB       TYR  44  79.143   4.483   1.209
  336   2HB   TYR  44          3HB       TYR  44  79.543   2.786   0.933
  337    HD1  TYR  44           HD2      TYR  44  76.919   5.358   0.654
  338    HD2  TYR  44           HD1      TYR  44  78.017   1.310  -0.239
  339    HE1  TYR  44           HE2      TYR  44  74.967   5.165  -0.868
  340    HE2  TYR  44           HE1      TYR  44  76.063   1.110  -1.758
  341    HH   TYR  44           HH       TYR  44  74.506   3.447  -3.080
  342    H    ALA  45           HN       ALA  45  79.991   1.271   3.087
  343    HA   ALA  45           HA       ALA  45  81.927   2.898   4.587
  344   1HB   ALA  45           HB1      ALA  45  80.400   0.633   5.906
  345   2HB   ALA  45           HB3      ALA  45  81.862   1.361   6.572
  346   3HB   ALA  45           HB2      ALA  45  80.397   2.327   6.389
  347    H    CYS  46           HN       CYS  46  83.931   2.146   4.104
  348    HA   CYS  46           HA       CYS  46  84.111  -0.620   3.007
  349   1HB   CYS  46          2HB       CYS  46  85.984   0.130   1.647
  350   2HB   CYS  46          3HB       CYS  46  84.685   1.295   1.428
  351    HG   CYS  46           HG       CYS  46  87.344   1.823   2.895
  352    H    SER  47           HN       SER  47  85.994  -1.821   3.599
  353    HA   SER  47           HA       SER  47  87.241  -0.872   6.151
  354   1HB   SER  47          2HB       SER  47  86.581  -3.708   5.305
  355   2HB   SER  47          3HB       SER  47  87.425  -3.275   6.787
  356    HG   SER  47           HG       SER  47  85.297  -1.781   6.740
  357    H    VAL  48           HN       VAL  48  89.468  -1.115   6.358
  358    HA   VAL  48           HA       VAL  48  90.886  -2.349   4.043
  359    HB   VAL  48           HB       VAL  48  91.104  -0.018   3.599
  360   1HG1  VAL  48          HG11      VAL  48  91.520   0.216   6.574
  361   2HG1  VAL  48          HG13      VAL  48  91.972   1.509   5.465
  362   3HG1  VAL  48          HG12      VAL  48  90.289   0.995   5.581
  363   1HG2  VAL  48          HG22      VAL  48  93.250  -1.471   3.788
  364   2HG2  VAL  48          HG21      VAL  48  93.442   0.278   3.693
  365   3HG2  VAL  48          HG23      VAL  48  93.568  -0.539   5.253
  366    H    VAL  49           HN       VAL  49  93.129  -2.936   4.619
  367    HA   VAL  49           HA       VAL  49  93.382  -3.507   7.544
  368    HB   VAL  49           HB       VAL  49  94.504  -5.091   5.227
  369   1HG1  VAL  49          HG13      VAL  49  95.830  -5.188   7.304
  370   2HG1  VAL  49          HG12      VAL  49  94.385  -5.645   8.202
  371   3HG1  VAL  49          HG11      VAL  49  95.046  -6.732   6.981
  372   1HG2  VAL  49          HG22      VAL  49  92.007  -5.167   5.458
  373   2HG2  VAL  49          HG21      VAL  49  92.787  -6.723   5.724
  374   3HG2  VAL  49          HG23      VAL  49  92.224  -5.777   7.098
  375    H    VAL  50           HN       VAL  50  95.240  -2.715   8.500
  376    HA   VAL  50           HA       VAL  50  97.294  -1.669   6.600
  377    HB   VAL  50           HB       VAL  50  96.077   0.082   7.932
  378   1HG1  VAL  50          HG12      VAL  50  95.781  -1.259   9.978
  379   2HG1  VAL  50          HG11      VAL  50  97.523  -1.257  10.238
  380   3HG1  VAL  50          HG13      VAL  50  96.613   0.252  10.329
  381   1HG2  VAL  50          HG21      VAL  50  98.690  -0.054   7.218
  382   2HG2  VAL  50          HG23      VAL  50  97.981   1.351   8.014
  383   3HG2  VAL  50          HG22      VAL  50  98.862   0.151   8.961
  384    H    ASP  51           HN       ASP  51  99.468  -1.569   7.505
  385    HA   ASP  51           HA       ASP  51 100.404  -4.116   8.296
  386   1HB   ASP  51          2HB       ASP  51 101.696  -1.381   8.381
  387   2HB   ASP  51          3HB       ASP  51 102.568  -2.870   8.748
  388    H    GLY  52           HN       GLY  52  98.399  -2.931  10.199
  389   1HA   GLY  52          2HA       GLY  52  99.883  -3.671  12.617
  390   2HA   GLY  52          3HA       GLY  52  99.280  -2.017  12.601
  391    H    GLU  53           HN       GLU  53  96.779  -2.588  11.189
  392    HA   GLU  53           HA       GLU  53  95.419  -4.637  12.820
  393   1HB   GLU  53          2HB       GLU  53  94.955  -1.695  13.304
  394   2HB   GLU  53          3HB       GLU  53  93.789  -2.934  13.762
  395   1HG   GLU  53          2HG       GLU  53  95.033  -2.724  15.719
  396   2HG   GLU  53          3HG       GLU  53  95.853  -4.065  14.920
  397    H    VAL  54           HN       VAL  54  93.074  -4.750  12.405
  398    HA   VAL  54           HA       VAL  54  92.500  -4.131   9.569
  399    HB   VAL  54           HB       VAL  54  90.931  -5.718  11.632
  400   1HG1  VAL  54          HG11      VAL  54  89.486  -4.656   9.930
  401   2HG1  VAL  54          HG13      VAL  54  90.478  -5.370   8.654
  402   3HG1  VAL  54          HG12      VAL  54  89.540  -6.405   9.731
  403   1HG2  VAL  54          HG23      VAL  54  93.233  -6.463  10.374
  404   2HG2  VAL  54          HG22      VAL  54  91.966  -7.599  10.834
  405   3HG2  VAL  54          HG21      VAL  54  92.037  -6.980   9.186
  406    H    LYS  55           HN       LYS  55  90.877  -2.642   8.961
  407    HA   LYS  55           HA       LYS  55  89.541  -1.192  11.210
  408   1HB   LYS  55          2HB       LYS  55  90.896  -0.012   8.776
  409   2HB   LYS  55          3HB       LYS  55  89.954   0.916   9.946
  410   1HG   LYS  55          2HG       LYS  55  92.027   1.168  10.924
  411   2HG   LYS  55          3HG       LYS  55  91.597  -0.385  11.645
  412   1HD   LYS  55          2HD       LYS  55  93.705  -0.848  10.754
  413   2HD   LYS  55          3HD       LYS  55  92.631  -1.386   9.457
  414   1HE   LYS  55          2HE       LYS  55  92.970   1.315   8.924
  415   2HE   LYS  55          3HE       LYS  55  94.570   0.802   9.473
  416   1HZ   LYS  55           HZ1      LYS  55  94.407  -1.076   7.902
  417   2HZ   LYS  55           HZ3      LYS  55  92.953  -0.435   7.312
  418   3HZ   LYS  55           HZ2      LYS  55  94.402   0.437   7.129
  419    H    HIS  56           HN       HIS  56  87.665   0.146  10.467
  420    HA   HIS  56           HA       HIS  56  86.309  -1.009   8.069
  421   1HB   HIS  56          2HB       HIS  56  85.044  -0.412  10.765
  422   2HB   HIS  56          3HB       HIS  56  84.156  -0.877   9.313
  423    HD1  HIS  56           HD1      HIS  56  85.727  -3.138   8.187
  424    HD2  HIS  56           HD2      HIS  56  85.155  -2.716  12.288
  425    HE1  HIS  56           HE1      HIS  56  86.043  -5.439   9.194
  426    H    CYS  57           HN       CYS  57  87.255   1.026   7.117
  427    HA   CYS  57           HA       CYS  57  86.607   3.634   8.002
  428   1HB   CYS  57          2HB       CYS  57  88.229   3.154   6.179
  429   2HB   CYS  57          3HB       CYS  57  86.887   2.702   5.130
  430    HG   CYS  57           HG       CYS  57  86.193   5.123   4.920
  431    H    VAL  58           HN       VAL  58  84.795   4.842   7.906
  432    HA   VAL  58           HA       VAL  58  82.372   3.564   6.756
  433    HB   VAL  58           HB       VAL  58  82.911   5.472   8.992
  434   1HG1  VAL  58          HG13      VAL  58  80.485   5.544   7.199
  435   2HG1  VAL  58          HG12      VAL  58  80.332   5.921   8.914
  436   3HG1  VAL  58          HG11      VAL  58  81.390   6.895   7.889
  437   1HG2  VAL  58          HG21      VAL  58  82.451   3.019   9.274
  438   2HG2  VAL  58          HG23      VAL  58  81.297   4.047  10.119
  439   3HG2  VAL  58          HG22      VAL  58  80.847   3.288   8.591
  440    H    ILE  59           HN       ILE  59  81.307   4.484   5.066
  441    HA   ILE  59           HA       ILE  59  82.359   7.077   4.027
  442    HB   ILE  59           HB       ILE  59  80.820   4.930   2.530
  443   1HG1  ILE  59          HG12      ILE  59  83.043   4.106   3.181
  444   2HG1  ILE  59          HG11      ILE  59  83.005   4.434   1.453
  445   1HG2  ILE  59          HG23      ILE  59  80.704   7.361   1.741
  446   2HG2  ILE  59          HG22      ILE  59  82.432   7.236   1.421
  447   3HG2  ILE  59          HG21      ILE  59  81.301   6.194   0.561
  448   1HD1  ILE  59          HD11      ILE  59  83.910   6.786   2.117
  449   2HD1  ILE  59          HD13      ILE  59  84.340   6.011   3.642
  450   3HD1  ILE  59          HD12      ILE  59  85.026   5.420   2.128
  451    H    ASN  60           HN       ASN  60  80.935   8.811   4.070
  452    HA   ASN  60           HA       ASN  60  78.081   8.167   4.718
  453   1HB   ASN  60          2HB       ASN  60  79.784  10.566   5.420
  454   2HB   ASN  60          3HB       ASN  60  78.051  10.466   5.730
  455   1HD2  ASN  60          HD22      ASN  60  80.482   8.906   8.430
  456   2HD2  ASN  60          HD21      ASN  60  80.914  10.096   7.303
  457    H    LYS  61           HN       LYS  61  76.590   8.748   3.207
  458    HA   LYS  61           HA       LYS  61  77.453  10.733   1.145
  459   1HB   LYS  61          2HB       LYS  61  76.935   8.451   0.288
  460   2HB   LYS  61          3HB       LYS  61  75.299   8.610   0.927
  461   1HG   LYS  61          2HG       LYS  61  74.977  10.635  -0.494
  462   2HG   LYS  61          3HG       LYS  61  76.582  10.375  -1.178
  463   1HD   LYS  61          2HD       LYS  61  75.880   8.145  -1.978
  464   2HD   LYS  61          3HD       LYS  61  74.270   8.420  -1.314
  465   1HE   LYS  61          2HE       LYS  61  73.904  10.291  -2.804
  466   2HE   LYS  61          3HE       LYS  61  75.571  10.217  -3.379
  467   1HZ   LYS  61           HZ1      LYS  61  74.852   7.758  -3.911
  468   2HZ   LYS  61           HZ3      LYS  61  73.312   8.462  -3.986
  469   3HZ   LYS  61           HZ2      LYS  61  74.554   9.026  -5.001
  470    H    THR  62           HN       THR  62  76.484  12.651   1.278
  471    HA   THR  62           HA       THR  62  73.783  12.807   2.555
  472    HB   THR  62           HB       THR  62  76.078  14.798   2.623
  473    HG1  THR  62           HG1      THR  62  75.329  14.297   4.994
  474   1HG2  THR  62          HG21      THR  62  73.173  15.049   3.236
  475   2HG2  THR  62          HG23      THR  62  74.306  15.809   4.355
  476   3HG2  THR  62          HG22      THR  62  74.309  16.265   2.651
  477    H    ALA  63           HN       ALA  63  75.657  13.240  -0.199
  478    HA   ALA  63           HA       ALA  63  73.785  13.756  -2.091
  479   1HB   ALA  63           HB1      ALA  63  74.303  16.241  -0.502
  480   2HB   ALA  63           HB3      ALA  63  74.087  16.397  -2.248
  481   3HB   ALA  63           HB2      ALA  63  72.810  15.689  -1.260
  482    H    THR  64           HN       THR  64  76.718  15.361  -0.900
  483    HA   THR  64           HA       THR  64  78.192  14.365  -3.228
  484    HB   THR  64           HB       THR  64  77.971  17.355  -2.716
  485    HG1  THR  64           HG1      THR  64  77.061  17.056  -4.983
  486   1HG2  THR  64          HG21      THR  64  80.172  16.519  -3.585
  487   2HG2  THR  64          HG23      THR  64  79.317  15.817  -4.957
  488   3HG2  THR  64          HG22      THR  64  79.335  17.565  -4.725
  489    H    GLY  65           HN       GLY  65  78.745  13.420  -0.862
  490   1HA   GLY  65          2HA       GLY  65  81.233  14.838  -0.067
  491   2HA   GLY  65          3HA       GLY  65  80.050  14.476   1.191
  492    H    TYR  66           HN       TYR  66  79.211  11.942   0.576
  493    HA   TYR  66           HA       TYR  66  79.836   9.701   0.859
  494   1HB   TYR  66          2HB       TYR  66  82.177  10.673  -0.798
  495   2HB   TYR  66          3HB       TYR  66  81.886   8.979  -0.404
  496    HD1  TYR  66           HD1      TYR  66  79.765   7.858  -1.190
  497    HD2  TYR  66           HD2      TYR  66  80.901  11.799  -2.471
  498    HE1  TYR  66           HE1      TYR  66  78.156   7.710  -3.076
  499    HE2  TYR  66           HE2      TYR  66  79.292  11.653  -4.348
  500    HH   TYR  66           HH       TYR  66  77.798   8.727  -5.263
  501    H    GLY  67           HN       GLY  67  82.987   9.305   0.910
  502   1HA   GLY  67          2HA       GLY  67  83.217   9.056   3.724
  503   2HA   GLY  67          3HA       GLY  67  84.582   9.070   2.613
  504    H    PHE  68           HN       PHE  68  85.900  10.379   3.983
  505    HA   PHE  68           HA       PHE  68  84.951  12.858   5.111
  506   1HB   PHE  68          2HB       PHE  68  87.381  13.342   5.457
  507   2HB   PHE  68          3HB       PHE  68  86.897  11.762   6.072
  508    HD1  PHE  68           HD1      PHE  68  88.724  13.539   3.400
  509    HD2  PHE  68           HD2      PHE  68  87.582   9.723   4.984
  510    HE1  PHE  68           HE1      PHE  68  90.396  12.437   1.935
  511    HE2  PHE  68           HE2      PHE  68  89.250   8.614   3.529
  512    HZ   PHE  68           HZ       PHE  68  90.664   9.965   1.999
  513    H    ALA  69           HN       ALA  69  84.786  14.842   4.135
  514    HA   ALA  69           HA       ALA  69  86.082  15.170   1.445
  515   1HB   ALA  69           HB2      ALA  69  83.375  16.069   2.439
  516   2HB   ALA  69           HB1      ALA  69  84.141  16.780   1.016
  517   3HB   ALA  69           HB3      ALA  69  83.745  15.064   1.038
  518    H    GLU  70           HN       GLU  70  87.214  17.059   1.123
  519    HA   GLU  70           HA       GLU  70  87.979  18.620   3.437
  520   1HB   GLU  70          2HB       GLU  70  88.441  18.989   0.457
  521   2HB   GLU  70          3HB       GLU  70  89.181  20.011   1.683
  522   1HG   GLU  70          2HG       GLU  70  90.274  18.060   2.691
  523   2HG   GLU  70          3HG       GLU  70  89.492  17.001   1.517
  524    HA   PRO  71           HA       PRO  71  85.054  21.938   3.852
  525   1HB   PRO  71          2HB       PRO  71  87.012  23.714   2.450
  526   2HB   PRO  71          3HB       PRO  71  86.130  23.982   3.963
  527   1HG   PRO  71          2HG       PRO  71  88.759  23.148   3.785
  528   2HG   PRO  71          3HG       PRO  71  87.715  22.965   5.202
  529   1HD   PRO  71          2HD       PRO  71  88.795  20.879   3.561
  530   2HD   PRO  71          3HD       PRO  71  87.691  20.705   4.938
  531    H    TYR  72           HN       TYR  72  86.632  21.332   0.803
  532    HA   TYR  72           HA       TYR  72  84.181  22.248  -0.643
  533   1HB   TYR  72          2HB       TYR  72  87.066  22.206  -1.584
  534   2HB   TYR  72          3HB       TYR  72  85.687  22.559  -2.625
  535    HD1  TYR  72           HD1      TYR  72  87.699  23.733   0.238
  536    HD2  TYR  72           HD2      TYR  72  84.507  24.680  -2.472
  537    HE1  TYR  72           HE1      TYR  72  87.773  26.097   0.979
  538    HE2  TYR  72           HE2      TYR  72  84.579  27.043  -1.733
  539    HH   TYR  72           HH       TYR  72  86.048  28.063   1.027
  540    H    ASN  73           HN       ASN  73  83.080  20.501  -1.303
  541    HA   ASN  73           HA       ASN  73  84.093  17.846  -1.235
  542   1HB   ASN  73          2HB       ASN  73  81.758  19.018  -2.767
  543   2HB   ASN  73          3HB       ASN  73  82.082  17.289  -2.628
  544   1HD2  ASN  73          HD22      ASN  73  79.982  18.930   0.285
  545   2HD2  ASN  73          HD21      ASN  73  80.081  19.517  -1.302
  546    H    LEU  74           HN       LEU  74  85.445  16.824  -2.606
  547    HA   LEU  74           HA       LEU  74  85.731  17.959  -5.368
  548   1HB   LEU  74          2HB       LEU  74  87.790  16.527  -3.652
  549   2HB   LEU  74          3HB       LEU  74  88.054  17.048  -5.317
  550    HG   LEU  74           HG       LEU  74  87.346  18.880  -3.006
  551   1HD1  LEU  74          HD11      LEU  74  89.959  18.398  -4.473
  552   2HD1  LEU  74          HD13      LEU  74  89.690  19.698  -3.309
  553   3HD1  LEU  74          HD12      LEU  74  89.626  18.016  -2.785
  554   1HD2  LEU  74          HD21      LEU  74  87.799  19.285  -5.962
  555   2HD2  LEU  74          HD23      LEU  74  86.520  19.942  -4.940
  556   3HD2  LEU  74          HD22      LEU  74  88.156  20.586  -4.827
  557    H    TYR  75           HN       TYR  75  84.431  15.437  -3.709
  558    HA   TYR  75           HA       TYR  75  85.249  13.350  -5.645
  559   1HB   TYR  75          2HB       TYR  75  83.462  13.226  -3.193
  560   2HB   TYR  75          3HB       TYR  75  83.981  11.831  -4.144
  561    HD1  TYR  75           HD1      TYR  75  86.420  11.220  -4.235
  562    HD2  TYR  75           HD2      TYR  75  84.923  14.316  -1.660
  563    HE1  TYR  75           HE1      TYR  75  88.538  11.183  -2.952
  564    HE2  TYR  75           HE2      TYR  75  87.045  14.276  -0.380
  565    HH   TYR  75           HH       TYR  75  89.823  12.625  -1.528
  566    H    SER  76           HN       SER  76  83.944  12.736  -7.369
  567    HA   SER  76           HA       SER  76  81.222  13.973  -7.510
  568   1HB   SER  76          2HB       SER  76  82.729  14.587  -9.361
  569   2HB   SER  76          3HB       SER  76  82.963  12.881  -9.739
  570    HG   SER  76           HG       SER  76  81.285  14.036 -10.969
  571    H    SER  77           HN       SER  77  82.938  10.882  -8.110
  572    HA   SER  77           HA       SER  77  80.322   9.534  -7.658
  573   1HB   SER  77          2HB       SER  77  80.739   7.986  -9.503
  574   2HB   SER  77          3HB       SER  77  80.733   9.637 -10.115
  575    HG   SER  77           HG       SER  77  82.779   7.793  -9.927
  576    H    LEU  78           HN       LEU  78  80.651   7.166  -7.212
  577    HA   LEU  78           HA       LEU  78  82.556   6.799  -5.121
  578   1HB   LEU  78          2HB       LEU  78  80.952   4.814  -6.753
  579   2HB   LEU  78          3HB       LEU  78  81.930   4.360  -5.357
  580    HG   LEU  78           HG       LEU  78  79.794   6.501  -5.216
  581   1HD1  LEU  78          HD12      LEU  78  79.620   3.513  -4.949
  582   2HD1  LEU  78          HD11      LEU  78  78.594   4.533  -3.939
  583   3HD1  LEU  78          HD13      LEU  78  78.476   4.630  -5.697
  584   1HD2  LEU  78          HD23      LEU  78  81.496   4.968  -3.256
  585   2HD2  LEU  78          HD22      LEU  78  81.251   6.710  -3.374
  586   3HD2  LEU  78          HD21      LEU  78  79.963   5.677  -2.748
  587    H    LYS  79           HN       LYS  79  82.670   6.121  -8.572
  588    HA   LYS  79           HA       LYS  79  84.930   4.395  -8.590
  589   1HB   LYS  79          2HB       LYS  79  83.906   6.400 -10.621
  590   2HB   LYS  79          3HB       LYS  79  85.275   5.333 -10.940
  591   1HG   LYS  79          2HG       LYS  79  83.859   3.370 -10.431
  592   2HG   LYS  79          3HG       LYS  79  82.483   4.441 -10.160
  593   1HD   LYS  79          2HD       LYS  79  82.700   5.259 -12.512
  594   2HD   LYS  79          3HD       LYS  79  84.009   4.102 -12.758
  595   1HE   LYS  79          2HE       LYS  79  81.914   3.156 -13.596
  596   2HE   LYS  79          3HE       LYS  79  82.463   2.245 -12.191
  597   1HZ   LYS  79           HZ3      LYS  79  80.728   4.484 -11.599
  598   2HZ   LYS  79           HZ2      LYS  79  79.997   3.229 -12.481
  599   3HZ   LYS  79           HZ1      LYS  79  80.722   2.904 -10.978
  600    H    GLU  80           HN       GLU  80  84.734   7.949  -8.612
  601    HA   GLU  80           HA       GLU  80  87.621   8.280  -8.783
  602   1HB   GLU  80          2HB       GLU  80  85.412  10.192  -7.970
  603   2HB   GLU  80          3HB       GLU  80  87.095  10.662  -8.216
  604   1HG   GLU  80          2HG       GLU  80  86.973   9.840 -10.549
  605   2HG   GLU  80          3HG       GLU  80  85.285   9.401 -10.296
  606    H    LEU  81           HN       LEU  81  85.288   7.858  -6.216
  607    HA   LEU  81           HA       LEU  81  86.900   8.910  -4.081
  608   1HB   LEU  81          2HB       LEU  81  84.458   8.509  -3.931
  609   2HB   LEU  81          3HB       LEU  81  84.758   6.773  -3.963
  610    HG   LEU  81           HG       LEU  81  86.298   8.309  -1.939
  611   1HD1  LEU  81          HD13      LEU  81  83.949   9.310  -1.964
  612   2HD1  LEU  81          HD12      LEU  81  83.356   7.704  -1.542
  613   3HD1  LEU  81          HD11      LEU  81  84.428   8.563  -0.439
  614   1HD2  LEU  81          HD21      LEU  81  86.368   5.823  -2.179
  615   2HD2  LEU  81          HD23      LEU  81  85.744   6.314  -0.603
  616   3HD2  LEU  81          HD22      LEU  81  84.636   5.771  -1.861
  617    H    VAL  82           HN       VAL  82  86.538   5.617  -5.405
  618    HA   VAL  82           HA       VAL  82  88.280   4.397  -3.463
  619    HB   VAL  82           HB       VAL  82  86.596   3.230  -5.029
  620   1HG1  VAL  82          HG11      VAL  82  87.730   4.307  -7.087
  621   2HG1  VAL  82          HG13      VAL  82  88.961   3.063  -6.884
  622   3HG1  VAL  82          HG12      VAL  82  87.284   2.606  -7.189
  623   1HG2  VAL  82          HG22      VAL  82  88.509   2.222  -3.559
  624   2HG2  VAL  82          HG21      VAL  82  87.730   1.205  -4.768
  625   3HG2  VAL  82          HG23      VAL  82  89.301   1.933  -5.106
  626    H    LEU  83           HN       LEU  83  88.854   5.534  -6.793
  627    HA   LEU  83           HA       LEU  83  91.619   4.803  -6.842
  628   1HB   LEU  83          2HB       LEU  83  90.048   6.881  -8.374
  629   2HB   LEU  83          3HB       LEU  83  91.738   6.498  -8.706
  630    HG   LEU  83           HG       LEU  83  89.503   4.451  -8.725
  631   1HD1  LEU  83          HD11      LEU  83  89.505   6.336 -10.510
  632   2HD1  LEU  83          HD13      LEU  83  90.966   5.563 -11.117
  633   3HD1  LEU  83          HD12      LEU  83  89.447   4.664 -11.081
  634   1HD2  LEU  83          HD22      LEU  83  92.448   4.396  -8.924
  635   2HD2  LEU  83          HD21      LEU  83  91.328   3.092  -8.542
  636   3HD2  LEU  83          HD23      LEU  83  91.634   3.525 -10.223
  637    H    HIS  84           HN       HIS  84  89.990   7.825  -5.908
  638    HA   HIS  84           HA       HIS  84  92.286   9.462  -5.626
  639   1HB   HIS  84          2HB       HIS  84  89.856  10.188  -5.497
  640   2HB   HIS  84          3HB       HIS  84  89.831   9.556  -3.851
  641    HD1  HIS  84           HD1      HIS  84  91.029  12.402  -5.899
  642    HD2  HIS  84           HD2      HIS  84  91.539  10.992  -2.015
  643    HE1  HIS  84           HE1      HIS  84  92.052  14.299  -4.576
  644    H    TYR  85           HN       TYR  85  90.777   7.243  -3.302
  645    HA   TYR  85           HA       TYR  85  92.651   7.920  -1.187
  646   1HB   TYR  85          2HB       TYR  85  90.709   5.627  -1.569
  647   2HB   TYR  85          3HB       TYR  85  91.696   5.815  -0.122
  648    HD1  TYR  85           HD2      TYR  85  90.817   9.003  -1.515
  649    HD2  TYR  85           HD1      TYR  85  89.308   5.819   0.932
  650    HE1  TYR  85           HE2      TYR  85  89.132  10.531  -0.564
  651    HE2  TYR  85           HE1      TYR  85  87.621   7.357   1.883
  652    HH   TYR  85           HH       TYR  85  87.759  10.381   1.969
  653    H    GLN  86           HN       GLN  86  92.639   5.683  -3.853
  654    HA   GLN  86           HA       GLN  86  94.597   3.839  -2.867
  655   1HB   GLN  86          2HB       GLN  86  93.329   3.269  -4.833
  656   2HB   GLN  86          3HB       GLN  86  93.901   4.708  -5.682
  657   1HG   GLN  86          2HG       GLN  86  96.100   3.886  -5.853
  658   2HG   GLN  86          3HG       GLN  86  95.830   2.668  -4.611
  659   1HE2  GLN  86          HE22      GLN  86  95.086   1.740  -8.440
  660   2HE2  GLN  86          HE21      GLN  86  95.920   3.140  -7.967
  661    H    HIS  87           HN       HIS  87  94.910   6.971  -4.519
  662    HA   HIS  87           HA       HIS  87  97.865   6.684  -4.505
  663   1HB   HIS  87          2HB       HIS  87  97.941   8.698  -5.821
  664   2HB   HIS  87          3HB       HIS  87  96.656   7.693  -6.495
  665    HD1  HIS  87           HD1      HIS  87  97.038  10.556  -3.988
  666    HD2  HIS  87           HD2      HIS  87  94.231   9.004  -6.649
  667    HE1  HIS  87           HE1      HIS  87  95.072  12.155  -3.967
  668    H    THR  88           HN       THR  88  95.460   7.745  -2.432
  669    HA   THR  88           HA       THR  88  97.259   9.758  -1.153
  670    HB   THR  88           HB       THR  88  94.333   9.192  -0.574
  671    HG1  THR  88           HG1      THR  88  93.915  10.408  -2.221
  672   1HG2  THR  88          HG21      THR  88  96.198  11.466   0.168
  673   2HG2  THR  88          HG23      THR  88  94.465  11.449   0.482
  674   3HG2  THR  88          HG22      THR  88  95.513  10.271   1.271
  675    H    SER  89           HN       SER  89  98.050   9.370   0.872
  676    HA   SER  89           HA       SER  89  97.722   6.633   1.930
  677   1HB   SER  89          2HB       SER  89  99.623   8.896   2.348
  678   2HB   SER  89          3HB       SER  89  99.455   7.709   3.639
  679    HG   SER  89           HG       SER  89 101.073   7.250   1.968
  680    H    LEU  90           HN       LEU  90  96.462   6.173   3.637
  681    HA   LEU  90           HA       LEU  90  94.716   8.169   4.786
  682   1HB   LEU  90          2HB       LEU  90  95.318   5.302   5.512
  683   2HB   LEU  90          3HB       LEU  90  94.027   6.256   6.257
  684    HG   LEU  90           HG       LEU  90  94.275   5.860   3.271
  685   1HD1  LEU  90          HD13      LEU  90  93.807   3.817   5.018
  686   2HD1  LEU  90          HD12      LEU  90  92.168   4.416   4.760
  687   3HD1  LEU  90          HD11      LEU  90  93.144   3.888   3.389
  688   1HD2  LEU  90          HD23      LEU  90  92.323   7.114   5.143
  689   2HD2  LEU  90          HD22      LEU  90  92.832   7.629   3.537
  690   3HD2  LEU  90          HD21      LEU  90  91.688   6.300   3.712
  691    H    VAL  91           HN       VAL  91  97.862   7.039   5.594
  692    HA   VAL  91           HA       VAL  91  98.291   7.133   8.280
  693    HB   VAL  91           HB       VAL  91 100.095   7.256   6.544
  694   1HG1  VAL  91          HG11      VAL  91  98.873   9.288   5.442
  695   2HG1  VAL  91          HG13      VAL  91  99.781  10.244   6.611
  696   3HG1  VAL  91          HG12      VAL  91 100.632   9.242   5.437
  697   1HG2  VAL  91          HG23      VAL  91 100.169   8.096   9.136
  698   2HG2  VAL  91          HG22      VAL  91 101.591   8.006   8.097
  699   3HG2  VAL  91          HG21      VAL  91 100.751   9.540   8.309
  700    H    GLN  92           HN       GLN  92  97.652  10.044   6.323
  701    HA   GLN  92           HA       GLN  92  97.757  11.941   8.400
  702   1HB   GLN  92          2HB       GLN  92  96.141  11.907   5.841
  703   2HB   GLN  92          3HB       GLN  92  96.214  13.301   6.915
  704   1HG   GLN  92          2HG       GLN  92  98.684  13.342   6.676
  705   2HG   GLN  92          3HG       GLN  92  98.584  11.988   5.548
  706   1HE2  GLN  92          HE22      GLN  92  98.398  14.509   3.016
  707   2HE2  GLN  92          HE21      GLN  92  99.355  13.279   3.694
  708    H    HIS  93           HN       HIS  93  94.871  10.109   7.248
  709    HA   HIS  93           HA       HIS  93  92.957  11.342   8.889
  710   1HB   HIS  93          2HB       HIS  93  93.326   8.417   8.187
  711   2HB   HIS  93          3HB       HIS  93  91.892   9.032   9.009
  712    HD1  HIS  93           HD1      HIS  93  93.684   9.091   5.715
  713    HD2  HIS  93           HD2      HIS  93  90.182  10.623   7.366
  714    HE1  HIS  93           HE1      HIS  93  92.306   9.962   3.777
  715    H    ASN  94           HN       ASN  94  95.157   8.668   9.663
  716    HA   ASN  94           HA       ASN  94  95.229   9.607  12.489
  717   1HB   ASN  94          2HB       ASN  94  94.913   6.714  11.608
  718   2HB   ASN  94          3HB       ASN  94  95.367   7.199  13.235
  719   1HD2  ASN  94          HD22      ASN  94  91.624   6.817  13.089
  720   2HD2  ASN  94          HD21      ASN  94  92.919   5.768  12.772
  721    H    ASP  95           HN       ASP  95  97.343  10.222  12.703
  722    HA   ASP  95           HA       ASP  95  99.447   9.991  11.062
  723   1HB   ASP  95          2HB       ASP  95  99.520   9.621  14.065
  724   2HB   ASP  95          3HB       ASP  95 100.980   9.799  13.091
  725    H    SER  96           HN       SER  96  98.028   7.197  12.573
  726    HA   SER  96           HA       SER  96 100.359   5.586  11.659
  727   1HB   SER  96          2HB       SER  96  98.174   4.969  13.647
  728   2HB   SER  96          3HB       SER  96  99.301   3.753  13.056
  729    HG   SER  96           HG       SER  96 100.989   4.966  13.901
  730    H    LEU  97           HN       LEU  97  97.934   6.601  10.000
  731    HA   LEU  97           HA       LEU  97  96.904   3.909   9.220
  732   1HB   LEU  97          2HB       LEU  97  95.970   6.706   8.831
  733   2HB   LEU  97          3HB       LEU  97  95.579   5.530   7.585
  734    HG   LEU  97           HG       LEU  97  95.126   4.909  10.487
  735   1HD1  LEU  97          HD13      LEU  97  93.934   7.045   9.718
  736   2HD1  LEU  97          HD12      LEU  97  93.035   6.016   8.607
  737   3HD1  LEU  97          HD11      LEU  97  92.902   5.761  10.346
  738   1HD2  LEU  97          HD21      LEU  97  94.953   3.451   8.096
  739   2HD2  LEU  97          HD23      LEU  97  94.292   2.979   9.661
  740   3HD2  LEU  97          HD22      LEU  97  93.284   3.845   8.503
  741    H    ASN  98           HN       ASN  98  99.446   3.903   8.586
  742    HA   ASN  98           HA       ASN  98  99.987   5.143   6.002
  743   1HB   ASN  98          2HB       ASN  98 101.766   4.656   7.700
  744   2HB   ASN  98          3HB       ASN  98 101.511   2.936   7.404
  745   1HD2  ASN  98          HD22      ASN  98 102.965   3.003   4.129
  746   2HD2  ASN  98          HD21      ASN  98 101.806   2.212   5.083
  747    H    VAL  99           HN       VAL  99  98.260   4.323   4.758
  748    HA   VAL  99           HA       VAL  99  98.881   1.883   3.342
  749    HB   VAL  99           HB       VAL  99  97.787   0.961   5.389
  750   1HG1  VAL  99          HG12      VAL  99  96.123   3.179   5.079
  751   2HG1  VAL  99          HG11      VAL  99  95.104   1.816   4.625
  752   3HG1  VAL  99          HG13      VAL  99  95.875   1.849   6.212
  753   1HG2  VAL  99          HG21      VAL  99  97.597  -0.058   3.064
  754   2HG2  VAL  99          HG23      VAL  99  96.330  -0.521   4.199
  755   3HG2  VAL  99          HG22      VAL  99  96.005   0.694   2.964
  756    H    THR 100           HN       THR 100  97.582   1.707   1.443
  757    HA   THR 100           HA       THR 100  95.683   3.978   0.929
  758    HB   THR 100           HB       THR 100  96.638   4.295  -1.266
  759    HG1  THR 100           HG1      THR 100  97.627   2.698  -2.159
  760   1HG2  THR 100          HG22      THR 100  98.307   4.458   1.135
  761   2HG2  THR 100          HG21      THR 100  99.246   4.363  -0.354
  762   3HG2  THR 100          HG23      THR 100  98.054   5.645  -0.141
  763    H    LEU 101           HN       LEU 101  94.117   3.461  -0.835
  764    HA   LEU 101           HA       LEU 101  93.268   0.655  -0.729
  765   1HB   LEU 101          2HB       LEU 101  92.197   2.897  -2.472
  766   2HB   LEU 101          3HB       LEU 101  91.380   1.385  -2.066
  767    HG   LEU 101           HG       LEU 101  92.077   3.666  -0.211
  768   1HD1  LEU 101          HD12      LEU 101  89.934   3.592  -1.650
  769   2HD1  LEU 101          HD11      LEU 101  89.426   2.277  -0.597
  770   3HD1  LEU 101          HD13      LEU 101  89.739   3.872   0.079
  771   1HD2  LEU 101          HD23      LEU 101  91.347   0.800   0.382
  772   2HD2  LEU 101          HD22      LEU 101  92.627   1.783   1.093
  773   3HD2  LEU 101          HD21      LEU 101  90.943   2.094   1.509
  774    H    ALA 102           HN       ALA 102  95.493   0.062  -1.710
  775    HA   ALA 102           HA       ALA 102  95.729   0.578  -4.593
  776   1HB   ALA 102           HB3      ALA 102  97.491  -0.684  -2.512
  777   2HB   ALA 102           HB2      ALA 102  97.854  -0.885  -4.226
  778   3HB   ALA 102           HB1      ALA 102  97.803   0.730  -3.516
  779    H    TYR 103           HN       TYR 103  94.901  -2.191  -2.533
  780    HA   TYR 103           HA       TYR 103  94.574  -3.758  -5.056
  781   1HB   TYR 103          2HB       TYR 103  95.445  -4.616  -2.303
  782   2HB   TYR 103          3HB       TYR 103  94.960  -5.767  -3.551
  783    HD1  TYR 103           HD1      TYR 103  96.150  -5.675  -5.807
  784    HD2  TYR 103           HD2      TYR 103  97.630  -3.678  -2.307
  785    HE1  TYR 103           HE1      TYR 103  98.395  -5.518  -6.847
  786    HE2  TYR 103           HE2      TYR 103  99.874  -3.519  -3.348
  787    HH   TYR 103           HH       TYR 103 100.520  -4.929  -6.549
  788    HA   PRO 104           HA       PRO 104  90.281  -4.072  -3.775
  789   1HB   PRO 104          2HB       PRO 104  89.476  -5.807  -5.683
  790   2HB   PRO 104          3HB       PRO 104  89.849  -4.112  -6.041
  791   1HG   PRO 104          2HG       PRO 104  91.486  -6.546  -6.506
  792   2HG   PRO 104          3HG       PRO 104  91.267  -5.119  -7.528
  793   1HD   PRO 104          2HD       PRO 104  93.465  -5.515  -5.921
  794   2HD   PRO 104          3HD       PRO 104  92.881  -3.913  -6.426
  795    H    VAL 105           HN       VAL 105  88.917  -5.626  -2.728
  796    HA   VAL 105           HA       VAL 105  90.340  -7.870  -1.523
  797    HB   VAL 105           HB       VAL 105  88.720  -6.557  -0.237
  798   1HG1  VAL 105          HG11      VAL 105  87.178  -6.835  -2.591
  799   2HG1  VAL 105          HG13      VAL 105  86.310  -7.724  -1.338
  800   3HG1  VAL 105          HG12      VAL 105  86.701  -6.021  -1.100
  801   1HG2  VAL 105          HG23      VAL 105  88.960  -9.347  -0.346
  802   2HG2  VAL 105          HG22      VAL 105  88.269  -8.413   0.977
  803   3HG2  VAL 105          HG21      VAL 105  87.222  -9.059  -0.283
  804    H    TYR 106           HN       TYR 106  88.376  -7.477  -4.335
  805    HA   TYR 106           HA       TYR 106  88.184 -10.447  -4.561
  806   1HB   TYR 106          2HB       TYR 106  86.055  -8.392  -4.994
  807   2HB   TYR 106          3HB       TYR 106  86.074  -9.818  -6.029
  808    HD1  TYR 106           HD1      TYR 106  86.371 -12.115  -4.806
  809    HD2  TYR 106           HD2      TYR 106  84.966  -8.529  -2.898
  810    HE1  TYR 106           HE1      TYR 106  85.318 -13.481  -3.027
  811    HE2  TYR 106           HE2      TYR 106  83.910  -9.903  -1.115
  812    HH   TYR 106           HH       TYR 106  84.480 -12.426  -0.166
  813    H    ALA 107           HN       ALA 107  90.344  -9.590  -5.686
  814    HA   ALA 107           HA       ALA 107  89.852  -8.660  -8.442
  815   1HB   ALA 107           HB1      ALA 107  92.116  -8.787  -6.646
  816   2HB   ALA 107           HB3      ALA 107  92.521  -9.561  -8.180
  817   3HB   ALA 107           HB2      ALA 107  91.954  -7.892  -8.157
  818    H    GLN 108           HN       GLN 108  89.285 -10.130  -9.990
  819    HA   GLN 108           HA       GLN 108  90.220 -12.939  -9.585
  820   1HB   GLN 108          2HB       GLN 108  87.800 -11.899 -11.080
  821   2HB   GLN 108          3HB       GLN 108  88.275 -13.592 -10.979
  822   1HG   GLN 108          2HG       GLN 108  87.989 -13.560  -8.548
  823   2HG   GLN 108          3HG       GLN 108  87.596 -11.837  -8.604
  824   1HE2  GLN 108          HE22      GLN 108  84.201 -12.683  -9.007
  825   2HE2  GLN 108          HE21      GLN 108  85.361 -11.790  -8.149
  826    H    GLN 109           HN       GLN 109  91.692 -13.628 -11.066
  827    HA   GLN 109           HA       GLN 109  91.877 -12.146 -13.659
  828   1HB   GLN 109          2HB       GLN 109  93.989 -13.687 -12.118
  829   2HB   GLN 109          3HB       GLN 109  94.230 -13.033 -13.738
  830   1HG   GLN 109          2HG       GLN 109  93.827 -10.766 -12.915
  831   2HG   GLN 109          3HG       GLN 109  93.497 -11.394 -11.296
  832   1HE2  GLN 109          HE22      GLN 109  96.952 -10.899 -10.631
  833   2HE2  GLN 109          HE21      GLN 109  95.366 -10.426 -10.256
  834    H    ARG 110           HN       ARG 110  91.049 -15.109 -12.205
  835    HA   ARG 110           HA       ARG 110  91.261 -16.504 -14.847
  836   1HB   ARG 110          2HB       ARG 110  91.481 -17.608 -12.039
  837   2HB   ARG 110          3HB       ARG 110  91.335 -18.617 -13.478
  838   1HG   ARG 110          2HG       ARG 110  93.380 -17.635 -14.401
  839   2HG   ARG 110          3HG       ARG 110  93.528 -16.580 -12.999
  840   1HD   ARG 110          2HD       ARG 110  93.255 -19.106 -11.879
  841   2HD   ARG 110          3HD       ARG 110  94.264 -19.396 -13.295
  842    HE   ARG 110           HE       ARG 110  95.264 -18.338 -10.931
  843   1HH1  ARG 110          HH21      ARG 110  94.931 -17.229 -14.199
  844   2HH1  ARG 110          HH22      ARG 110  96.247 -16.114 -14.081
  845   1HH2  ARG 110          HH11      ARG 110  96.966 -16.883 -10.782
  846   2HH2  ARG 110          HH12      ARG 110  97.397 -15.919 -12.154
  847    H    ARG 111           HN       ARG 111  89.482 -17.713 -15.509
  848    HA   ARG 111           HA       ARG 111  87.226 -18.323 -15.655
  849   1HB   ARG 111          2HB       ARG 111  87.835 -19.361 -13.399
  850   2HB   ARG 111          3HB       ARG 111  87.117 -17.931 -12.658
  851   1HG   ARG 111          2HG       ARG 111  85.011 -18.392 -13.927
  852   2HG   ARG 111          3HG       ARG 111  85.733 -19.896 -14.503
  853   1HD   ARG 111          2HD       ARG 111  86.155 -19.965 -11.752
  854   2HD   ARG 111          3HD       ARG 111  84.536 -19.290 -11.909
  855    HE   ARG 111           HE       ARG 111  85.087 -22.012 -12.181
  856   1HH1  ARG 111          HH21      ARG 111  83.839 -19.494 -14.173
  857   2HH1  ARG 111          HH22      ARG 111  82.934 -20.565 -15.188
  858   1HH2  ARG 111          HH11      ARG 111  83.895 -23.418 -13.479
  859   2HH2  ARG 111          HH12      ARG 111  82.955 -22.782 -14.787
   
  No H/Q in entry =         859
  Start of MODEL    9
    1   1H    GLU   1           HT1      GLU   1  96.503  -1.352 -17.613
    2   2H    GLU   1           HT3      GLU   1  97.372  -0.804 -18.962
    3   3H    GLU   1           HT2      GLU   1  97.922  -0.444 -17.396
    4    HA   GLU   1           HA       GLU   1  96.787   1.436 -17.417
    5   1HB   GLU   1          2HB       GLU   1  97.099   1.317 -19.874
    6   2HB   GLU   1          3HB       GLU   1  95.579   0.433 -20.012
    7   1HG   GLU   1          2HG       GLU   1  94.330   2.316 -19.148
    8   2HG   GLU   1          3HG       GLU   1  95.818   3.190 -18.778
    9    H    ASP   2           HN       ASP   2  95.025  -1.534 -17.720
   10    HA   ASP   2           HA       ASP   2  92.420  -0.362 -17.105
   11   1HB   ASP   2          2HB       ASP   2  92.701  -2.511 -18.371
   12   2HB   ASP   2          3HB       ASP   2  93.296  -3.254 -16.885
   13    H    LEU   3           HN       LEU   3  91.759   0.208 -15.091
   14    HA   LEU   3           HA       LEU   3  93.340  -0.760 -12.763
   15   1HB   LEU   3          2HB       LEU   3  91.344   1.509 -13.015
   16   2HB   LEU   3          3HB       LEU   3  92.224   1.099 -11.544
   17    HG   LEU   3           HG       LEU   3  93.564   1.818 -14.167
   18   1HD1  LEU   3          HD13      LEU   3  92.140   3.544 -12.562
   19   2HD1  LEU   3          HD12      LEU   3  93.768   3.682 -11.900
   20   3HD1  LEU   3          HD11      LEU   3  93.481   4.015 -13.608
   21   1HD2  LEU   3          HD21      LEU   3  94.497   1.204 -11.369
   22   2HD2  LEU   3          HD23      LEU   3  95.138   0.619 -12.906
   23   3HD2  LEU   3          HD22      LEU   3  95.447   2.278 -12.397
   24    HA   PRO   4           HA       PRO   4  89.836  -3.588 -12.136
   25   1HB   PRO   4          2HB       PRO   4  91.050  -3.953  -9.454
   26   2HB   PRO   4          3HB       PRO   4  90.671  -5.164 -10.694
   27   1HG   PRO   4          2HG       PRO   4  93.183  -4.409 -10.147
   28   2HG   PRO   4          3HG       PRO   4  92.662  -4.877 -11.774
   29   1HD   PRO   4          2HD       PRO   4  93.221  -2.148 -10.687
   30   2HD   PRO   4          3HD       PRO   4  93.459  -2.793 -12.330
   31    H    HIS   5           HN       HIS   5  90.674  -0.793 -10.396
   32    HA   HIS   5           HA       HIS   5  88.714  -0.835  -8.301
   33   1HB   HIS   5          2HB       HIS   5  90.047   1.464  -9.746
   34   2HB   HIS   5          3HB       HIS   5  89.099   1.627  -8.269
   35    HD1  HIS   5           HD1      HIS   5  90.000   0.011  -6.220
   36    HD2  HIS   5           HD2      HIS   5  92.711   0.927  -9.249
   37    HE1  HIS   5           HE1      HIS   5  92.302  -0.486  -5.294
   38    H    HIS   6           HN       HIS   6  88.559   0.147 -11.695
   39    HA   HIS   6           HA       HIS   6  86.134   1.642 -11.535
   40   1HB   HIS   6          2HB       HIS   6  85.961   1.237 -13.964
   41   2HB   HIS   6          3HB       HIS   6  87.606   1.682 -13.507
   42    HD1  HIS   6           HD1      HIS   6  87.293  -1.600 -12.285
   43    HD2  HIS   6           HD2      HIS   6  87.775  -0.036 -16.117
   44    HE1  HIS   6           HE1      HIS   6  88.209  -3.477 -13.713
   45    H    ASP   7           HN       ASP   7  86.687  -1.723 -11.184
   46    HA   ASP   7           HA       ASP   7  83.840  -2.321 -11.787
   47   1HB   ASP   7          2HB       ASP   7  85.782  -3.759 -12.711
   48   2HB   ASP   7          3HB       ASP   7  85.935  -4.361 -11.060
   49    H    GLU   8           HN       GLU   8  82.461  -2.501 -10.095
   50    HA   GLU   8           HA       GLU   8  83.324  -2.010  -7.412
   51   1HB   GLU   8          2HB       GLU   8  80.698  -3.135  -8.423
   52   2HB   GLU   8          3HB       GLU   8  80.973  -2.473  -6.813
   53   1HG   GLU   8          2HG       GLU   8  80.262  -0.524  -7.757
   54   2HG   GLU   8          3HG       GLU   8  81.920  -0.442  -8.353
   55    H    LYS   9           HN       LYS   9  82.851  -4.969  -9.198
   56    HA   LYS   9           HA       LYS   9  82.582  -6.775  -7.009
   57   1HB   LYS   9          2HB       LYS   9  83.652  -7.053  -9.810
   58   2HB   LYS   9          3HB       LYS   9  83.701  -8.406  -8.686
   59   1HG   LYS   9          2HG       LYS   9  81.670  -8.397 -10.151
   60   2HG   LYS   9          3HG       LYS   9  81.299  -8.369  -8.430
   61   1HD   LYS   9          2HD       LYS   9  79.875  -6.762  -9.588
   62   2HD   LYS   9          3HD       LYS   9  81.015  -5.890  -8.571
   63   1HE   LYS   9          2HE       LYS   9  81.881  -4.822 -10.372
   64   2HE   LYS   9          3HE       LYS   9  82.169  -6.358 -11.189
   65   1HZ   LYS   9           HZ1      LYS   9  79.519  -6.142 -11.394
   66   2HZ   LYS   9           HZ3      LYS   9  79.967  -4.506 -11.453
   67   3HZ   LYS   9           HZ2      LYS   9  80.611  -5.603 -12.579
   68    H    THR  10           HN       THR  10  85.398  -5.426  -8.634
   69    HA   THR  10           HA       THR  10  87.377  -7.018  -7.387
   70    HB   THR  10           HB       THR  10  88.874  -5.022  -7.865
   71    HG1  THR  10           HG1      THR  10  86.503  -4.003  -9.022
   72   1HG2  THR  10          HG21      THR  10  87.295  -6.626  -9.739
   73   2HG2  THR  10          HG23      THR  10  87.892  -5.122 -10.445
   74   3HG2  THR  10          HG22      THR  10  89.024  -6.272  -9.739
   75    H    TRP  11           HN       TRP  11  85.651  -4.157  -6.192
   76    HA   TRP  11           HA       TRP  11  87.109  -4.581  -3.612
   77   1HB   TRP  11          2HB       TRP  11  86.335  -1.998  -3.399
   78   2HB   TRP  11          3HB       TRP  11  87.897  -2.490  -4.054
   79    HD1  TRP  11           HD1      TRP  11  87.960  -2.834  -6.782
   80    HE1  TRP  11           HE1      TRP  11  86.755  -1.488  -8.625
   81    HE3  TRP  11           HE3      TRP  11  84.364  -0.599  -3.984
   82    HZ2  TRP  11           HZ2      TRP  11  84.548   0.372  -8.846
   83    HZ3  TRP  11           HZ3      TRP  11  82.736   0.964  -5.002
   84    HH2  TRP  11           HH2      TRP  11  82.826   1.450  -7.430
   85    H    ASN  12           HN       ASN  12  83.974  -3.843  -5.112
   86    HA   ASN  12           HA       ASN  12  82.712  -3.640  -2.456
   87   1HB   ASN  12          2HB       ASN  12  81.999  -2.277  -4.490
   88   2HB   ASN  12          3HB       ASN  12  81.294  -3.769  -5.117
   89   1HD2  ASN  12          HD22      ASN  12  79.085  -1.685  -2.595
   90   2HD2  ASN  12          HD21      ASN  12  80.317  -1.056  -3.579
   91    H    VAL  13           HN       VAL  13  81.732  -5.285  -1.397
   92    HA   VAL  13           HA       VAL  13  81.457  -7.890  -2.836
   93    HB   VAL  13           HB       VAL  13  81.484  -8.924  -0.597
   94   1HG1  VAL  13          HG11      VAL  13  83.613  -7.917  -1.949
   95   2HG1  VAL  13          HG13      VAL  13  83.806  -7.099  -0.398
   96   3HG1  VAL  13          HG12      VAL  13  83.760  -8.862  -0.466
   97   1HG2  VAL  13          HG23      VAL  13  81.694  -6.039   0.300
   98   2HG2  VAL  13          HG22      VAL  13  80.446  -7.207   0.730
   99   3HG2  VAL  13          HG21      VAL  13  82.087  -7.403   1.345
  100    H    GLY  14           HN       GLY  14  79.638  -5.289  -1.721
  101   1HA   GLY  14          2HA       GLY  14  77.246  -5.153  -1.969
  102   2HA   GLY  14          3HA       GLY  14  77.165  -6.915  -1.903
  103    H    SER  15           HN       SER  15  75.435  -6.515  -0.269
  104    HA   SER  15           HA       SER  15  76.036  -5.260   2.250
  105   1HB   SER  15          2HB       SER  15  73.983  -6.325   3.043
  106   2HB   SER  15          3HB       SER  15  73.721  -5.682   1.423
  107    HG   SER  15           HG       SER  15  74.702  -8.130   1.187
  108    H    SER  16           HN       SER  16  76.448  -6.314   4.284
  109    HA   SER  16           HA       SER  16  77.091  -9.155   4.366
  110   1HB   SER  16          2HB       SER  16  79.095  -8.282   3.228
  111   2HB   SER  16          3HB       SER  16  79.317  -7.095   4.508
  112    HG   SER  16           HG       SER  16  80.286  -8.585   5.604
  113    H    ASN  17           HN       ASN  17  77.438  -9.852   6.545
  114    HA   ASN  17           HA       ASN  17  76.468  -7.927   8.565
  115   1HB   ASN  17          2HB       ASN  17  77.119 -10.889   8.747
  116   2HB   ASN  17          3HB       ASN  17  76.428  -9.927  10.056
  117   1HD2  ASN  17          HD22      ASN  17  73.556  -9.341   7.541
  118   2HD2  ASN  17          HD21      ASN  17  74.860  -8.328   7.931
  119    H    ARG  18           HN       ARG  18  79.287  -8.388   7.190
  120    HA   ARG  18           HA       ARG  18  81.477  -7.880   7.746
  121   1HB   ARG  18          2HB       ARG  18  80.112  -6.903  10.258
  122   2HB   ARG  18          3HB       ARG  18  81.855  -6.796  10.030
  123   1HG   ARG  18          2HG       ARG  18  79.803  -5.658   8.104
  124   2HG   ARG  18          3HG       ARG  18  80.672  -4.716   9.320
  125   1HD   ARG  18          2HD       ARG  18  82.135  -4.404   7.570
  126   2HD   ARG  18          3HD       ARG  18  82.772  -5.934   8.161
  127    HE   ARG  18           HE       ARG  18  80.744  -6.600   6.327
  128   1HH1  ARG  18          HH21      ARG  18  83.690  -4.815   6.394
  129   2HH1  ARG  18          HH22      ARG  18  84.064  -5.109   4.728
  130   1HH2  ARG  18          HH11      ARG  18  81.211  -6.997   4.148
  131   2HH2  ARG  18          HH12      ARG  18  82.658  -6.342   3.456
  132    H    ASN  19           HN       ASN  19  79.893 -10.438   8.807
  133    HA   ASN  19           HA       ASN  19  81.707 -11.366  10.908
  134   1HB   ASN  19          2HB       ASN  19  80.504 -13.472  10.742
  135   2HB   ASN  19          3HB       ASN  19  79.321 -12.167  10.662
  136   1HD2  ASN  19          HD22      ASN  19  78.766 -14.661   7.850
  137   2HD2  ASN  19          HD21      ASN  19  78.937 -14.855   9.527
  138    H    LYS  20           HN       LYS  20  81.131 -12.264   7.495
  139    HA   LYS  20           HA       LYS  20  83.518 -13.879   7.322
  140   1HB   LYS  20          2HB       LYS  20  83.060 -13.963   4.952
  141   2HB   LYS  20          3HB       LYS  20  81.503 -14.026   5.778
  142   1HG   LYS  20          2HG       LYS  20  81.318 -11.540   5.482
  143   2HG   LYS  20          3HG       LYS  20  82.784 -11.595   4.500
  144   1HD   LYS  20          2HD       LYS  20  81.652 -13.224   2.975
  145   2HD   LYS  20          3HD       LYS  20  80.179 -13.042   3.927
  146   1HE   LYS  20          2HE       LYS  20  79.894 -10.793   3.289
  147   2HE   LYS  20          3HE       LYS  20  81.568 -10.638   2.757
  148   1HZ   LYS  20           HZ3      LYS  20  79.906 -12.646   1.435
  149   2HZ   LYS  20           HZ2      LYS  20  79.600 -11.016   1.065
  150   3HZ   LYS  20           HZ1      LYS  20  81.143 -11.674   0.799
  151    H    ALA  21           HN       ALA  21  82.770 -10.496   7.021
  152    HA   ALA  21           HA       ALA  21  84.985  -9.562   5.530
  153   1HB   ALA  21           HB2      ALA  21  83.090  -8.125   6.250
  154   2HB   ALA  21           HB1      ALA  21  83.663  -8.234   7.915
  155   3HB   ALA  21           HB3      ALA  21  84.647  -7.426   6.696
  156    H    GLU  22           HN       GLU  22  84.686 -10.174   9.055
  157    HA   GLU  22           HA       GLU  22  87.336  -9.357   9.727
  158   1HB   GLU  22          2HB       GLU  22  85.499 -11.432  10.962
  159   2HB   GLU  22          3HB       GLU  22  87.048 -10.976  11.672
  160   1HG   GLU  22          2HG       GLU  22  84.836  -9.005  11.024
  161   2HG   GLU  22          3HG       GLU  22  85.091  -9.706  12.623
  162    H    ASN  23           HN       ASN  23  86.031 -12.541   8.788
  163    HA   ASN  23           HA       ASN  23  88.526 -13.935   8.819
  164   1HB   ASN  23          2HB       ASN  23  85.973 -14.376   7.254
  165   2HB   ASN  23          3HB       ASN  23  87.340 -15.491   7.204
  166   1HD2  ASN  23          HD22      ASN  23  86.706 -15.547  11.051
  167   2HD2  ASN  23          HD21      ASN  23  87.777 -14.547  10.196
  168    H    LEU  24           HN       LEU  24  86.786 -12.148   6.273
  169    HA   LEU  24           HA       LEU  24  88.761 -12.662   4.221
  170   1HB   LEU  24          2HB       LEU  24  86.627 -10.538   4.509
  171   2HB   LEU  24          3HB       LEU  24  87.639 -10.709   3.077
  172    HG   LEU  24           HG       LEU  24  85.873 -12.888   4.223
  173   1HD1  LEU  24          HD13      LEU  24  84.618 -10.989   3.190
  174   2HD1  LEU  24          HD12      LEU  24  85.544 -11.222   1.708
  175   3HD1  LEU  24          HD11      LEU  24  84.453 -12.487   2.271
  176   1HD2  LEU  24          HD21      LEU  24  87.893 -12.725   2.028
  177   2HD2  LEU  24          HD23      LEU  24  87.511 -14.071   3.098
  178   3HD2  LEU  24          HD22      LEU  24  86.451 -13.698   1.741
  179    H    LEU  25           HN       LEU  25  88.404 -10.246   6.745
  180    HA   LEU  25           HA       LEU  25  90.623  -8.629   5.640
  181   1HB   LEU  25          2HB       LEU  25  88.974  -8.379   8.177
  182   2HB   LEU  25          3HB       LEU  25  90.233  -7.242   7.696
  183    HG   LEU  25           HG       LEU  25  88.046  -7.883   5.745
  184   1HD1  LEU  25          HD13      LEU  25  87.067  -7.306   8.062
  185   2HD1  LEU  25          HD12      LEU  25  87.777  -5.708   7.828
  186   3HD1  LEU  25          HD11      LEU  25  86.550  -6.299   6.707
  187   1HD2  LEU  25          HD23      LEU  25  89.640  -5.388   6.418
  188   2HD2  LEU  25          HD22      LEU  25  89.985  -6.491   5.084
  189   3HD2  LEU  25          HD21      LEU  25  88.500  -5.542   5.087
  190    H    ARG  26           HN       ARG  26  90.123 -11.304   7.649
  191    HA   ARG  26           HA       ARG  26  92.595 -10.892   9.208
  192   1HB   ARG  26          2HB       ARG  26  90.330 -12.877   9.268
  193   2HB   ARG  26          3HB       ARG  26  91.864 -13.275  10.052
  194   1HG   ARG  26          2HG       ARG  26  91.716 -11.388  11.509
  195   2HG   ARG  26          3HG       ARG  26  90.400 -10.681  10.571
  196   1HD   ARG  26          2HD       ARG  26  88.909 -12.509  11.226
  197   2HD   ARG  26          3HD       ARG  26  90.230 -13.300  12.092
  198    HE   ARG  26           HE       ARG  26  90.122 -10.800  13.254
  199   1HH1  ARG  26          HH21      ARG  26  87.817 -13.276  12.556
  200   2HH1  ARG  26          HH22      ARG  26  86.850 -12.948  13.955
  201   1HH2  ARG  26          HH11      ARG  26  88.876 -10.364  15.075
  202   2HH2  ARG  26          HH12      ARG  26  87.451 -11.300  15.384
  203    H    GLY  27           HN       GLY  27  94.464 -11.431   8.242
  204   1HA   GLY  27          2HA       GLY  27  95.934 -13.182   7.387
  205   2HA   GLY  27          3HA       GLY  27  94.533 -13.923   6.612
  206    H    LYS  28           HN       LYS  28  94.261 -10.640   6.199
  207    HA   LYS  28           HA       LYS  28  95.376 -10.859   3.452
  208   1HB   LYS  28          2HB       LYS  28  93.376  -8.944   4.675
  209   2HB   LYS  28          3HB       LYS  28  94.029  -8.759   3.048
  210   1HG   LYS  28          2HG       LYS  28  92.493 -11.160   4.083
  211   2HG   LYS  28          3HG       LYS  28  91.879  -9.941   2.964
  212   1HD   LYS  28          2HD       LYS  28  94.124 -10.650   1.643
  213   2HD   LYS  28          3HD       LYS  28  93.791 -12.169   2.476
  214   1HE   LYS  28          2HE       LYS  28  91.442 -12.070   1.611
  215   2HE   LYS  28          3HE       LYS  28  91.888 -10.642   0.676
  216   1HZ   LYS  28           HZ3      LYS  28  93.740 -12.112  -0.244
  217   2HZ   LYS  28           HZ2      LYS  28  92.849 -13.421   0.376
  218   3HZ   LYS  28           HZ1      LYS  28  92.163 -12.400  -0.798
  219    H    ARG  29           HN       ARG  29  96.994  -9.548   2.796
  220    HA   ARG  29           HA       ARG  29  98.644  -8.246   4.768
  221   1HB   ARG  29          2HB       ARG  29  98.680  -8.145   1.738
  222   2HB   ARG  29          3HB       ARG  29  99.954  -7.499   2.775
  223   1HG   ARG  29          2HG       ARG  29 100.294  -9.745   3.748
  224   2HG   ARG  29          3HG       ARG  29  99.035 -10.389   2.691
  225   1HD   ARG  29          2HD       ARG  29 101.514  -8.974   1.686
  226   2HD   ARG  29          3HD       ARG  29 101.373 -10.729   1.824
  227    HE   ARG  29           HE       ARG  29  99.171 -10.054   0.321
  228   1HH1  ARG  29          HH21      ARG  29 102.542  -9.349   0.206
  229   2HH1  ARG  29          HH22      ARG  29 102.601  -9.248  -1.522
  230   1HH2  ARG  29          HH11      ARG  29  99.227  -9.926  -1.943
  231   2HH2  ARG  29          HH12      ARG  29 100.725  -9.575  -2.738
  232    H    ASP  30           HN       ASP  30  99.156  -5.937   4.832
  233    HA   ASP  30           HA       ASP  30  96.878  -4.242   4.878
  234   1HB   ASP  30          2HB       ASP  30  98.955  -3.722   6.116
  235   2HB   ASP  30          3HB       ASP  30  99.799  -3.450   4.589
  236    H    GLY  31           HN       GLY  31  96.034  -2.803   3.372
  237   1HA   GLY  31          2HA       GLY  31  96.274  -1.508   1.274
  238   2HA   GLY  31          3HA       GLY  31  97.321  -2.797   0.668
  239    H    THR  32           HN       THR  32  95.497  -4.887   1.811
  240    HA   THR  32           HA       THR  32  93.699  -5.032  -0.493
  241    HB   THR  32           HB       THR  32  93.911  -6.851   1.930
  242    HG1  THR  32           HG1      THR  32  95.695  -7.445   1.019
  243   1HG2  THR  32          HG21      THR  32  92.269  -6.820  -0.526
  244   2HG2  THR  32          HG23      THR  32  93.045  -8.366  -0.179
  245   3HG2  THR  32          HG22      THR  32  91.975  -7.628   1.013
  246    H    PHE  33           HN       PHE  33  91.704  -4.079  -0.479
  247    HA   PHE  33           HA       PHE  33  90.274  -3.989   2.127
  248   1HB   PHE  33          2HB       PHE  33  90.167  -1.732   2.222
  249   2HB   PHE  33          3HB       PHE  33  91.555  -1.775   1.140
  250    HD1  PHE  33           HD1      PHE  33  91.241  -1.456  -1.316
  251    HD2  PHE  33           HD2      PHE  33  87.984  -1.145   1.461
  252    HE1  PHE  33           HE1      PHE  33  89.845  -0.357  -3.057
  253    HE2  PHE  33           HE2      PHE  33  86.611  -0.051  -0.285
  254    HZ   PHE  33           HZ       PHE  33  87.534   0.333  -2.526
  255    H    LEU  34           HN       LEU  34  87.941  -3.059   1.692
  256    HA   LEU  34           HA       LEU  34  86.899  -3.790  -0.972
  257   1HB   LEU  34          2HB       LEU  34  85.242  -5.372  -0.057
  258   2HB   LEU  34          3HB       LEU  34  86.888  -5.933   0.226
  259    HG   LEU  34           HG       LEU  34  85.630  -4.245   2.341
  260   1HD1  LEU  34          HD12      LEU  34  84.920  -7.140   1.779
  261   2HD1  LEU  34          HD11      LEU  34  84.641  -6.349   3.331
  262   3HD1  LEU  34          HD13      LEU  34  83.809  -5.773   1.885
  263   1HD2  LEU  34          HD22      LEU  34  87.515  -6.611   2.207
  264   2HD2  LEU  34          HD21      LEU  34  87.889  -4.959   2.702
  265   3HD2  LEU  34          HD23      LEU  34  86.884  -5.979   3.726
  266    H    VAL  35           HN       VAL  35  84.571  -3.186  -1.193
  267    HA   VAL  35           HA       VAL  35  83.902  -0.923   0.640
  268    HB   VAL  35           HB       VAL  35  83.154  -1.461  -2.256
  269   1HG1  VAL  35          HG12      VAL  35  81.878   0.288  -0.180
  270   2HG1  VAL  35          HG11      VAL  35  82.028   0.915  -1.823
  271   3HG1  VAL  35          HG13      VAL  35  81.133  -0.578  -1.524
  272   1HG2  VAL  35          HG23      VAL  35  84.648   0.717  -0.775
  273   2HG2  VAL  35          HG22      VAL  35  85.287  -0.363  -2.010
  274   3HG2  VAL  35          HG21      VAL  35  84.122   0.889  -2.443
  275    H    ARG  36           HN       ARG  36  81.916  -0.933   1.683
  276    HA   ARG  36           HA       ARG  36  79.850  -2.871   0.950
  277   1HB   ARG  36          2HB       ARG  36  79.963  -3.722   3.474
  278   2HB   ARG  36          3HB       ARG  36  80.902  -4.503   2.207
  279   1HG   ARG  36          2HG       ARG  36  82.626  -4.174   3.674
  280   2HG   ARG  36          3HG       ARG  36  82.662  -2.567   2.963
  281   1HD   ARG  36          2HD       ARG  36  80.924  -1.942   4.765
  282   2HD   ARG  36          3HD       ARG  36  81.415  -3.436   5.563
  283    HE   ARG  36           HE       ARG  36  83.805  -2.118   5.016
  284   1HH1  ARG  36          HH21      ARG  36  80.839  -1.414   6.624
  285   2HH1  ARG  36          HH22      ARG  36  81.557  -0.313   7.751
  286   1HH2  ARG  36          HH11      ARG  36  84.761  -0.685   6.471
  287   2HH2  ARG  36          HH12      ARG  36  83.781   0.100   7.664
  288    H    GLU  37           HN       GLU  37  78.491  -2.777   3.522
  289    HA   GLU  37           HA       GLU  37  77.777   0.113   3.449
  290   1HB   GLU  37          2HB       GLU  37  76.303  -2.243   4.674
  291   2HB   GLU  37          3HB       GLU  37  75.690  -0.594   4.541
  292   1HG   GLU  37          2HG       GLU  37  75.998  -0.783   2.037
  293   2HG   GLU  37          3HG       GLU  37  76.348  -2.494   2.282
  294    H    SER  38           HN       SER  38  76.994   0.895   5.739
  295    HA   SER  38           HA       SER  38  79.274   0.573   7.541
  296   1HB   SER  38          2HB       SER  38  76.658   2.089   7.714
  297   2HB   SER  38          3HB       SER  38  77.823   2.064   9.037
  298    HG   SER  38           HG       SER  38  77.917   3.317   6.572
  299    H    SER  39           HN       SER  39  77.126  -1.444   6.682
  300    HA   SER  39           HA       SER  39  76.535  -3.499   7.608
  301   1HB   SER  39          2HB       SER  39  78.272  -2.975   9.432
  302   2HB   SER  39          3HB       SER  39  76.929  -2.338  10.376
  303    HG   SER  39           HG       SER  39  77.668  -4.853  10.087
  304    H    LYS  40           HN       LYS  40  75.308  -2.444  10.567
  305    HA   LYS  40           HA       LYS  40  72.584  -2.512   9.474
  306   1HB   LYS  40          2HB       LYS  40  71.894  -2.574  11.823
  307   2HB   LYS  40          3HB       LYS  40  73.190  -3.738  11.548
  308   1HG   LYS  40          2HG       LYS  40  74.840  -2.089  12.386
  309   2HG   LYS  40          3HG       LYS  40  73.529  -0.953  12.706
  310   1HD   LYS  40          2HD       LYS  40  73.224  -3.677  13.862
  311   2HD   LYS  40          3HD       LYS  40  74.472  -2.654  14.578
  312   1HE   LYS  40          2HE       LYS  40  72.818  -0.865  14.925
  313   2HE   LYS  40          3HE       LYS  40  71.567  -1.869  14.192
  314   1HZ   LYS  40           HZ2      LYS  40  72.622  -3.492  16.081
  315   2HZ   LYS  40           HZ1      LYS  40  72.684  -1.974  16.839
  316   3HZ   LYS  40           HZ3      LYS  40  71.206  -2.573  16.263
  317    H    GLN  41           HN       GLN  41  74.865  -0.067  10.125
  318    HA   GLN  41           HA       GLN  41  73.031   1.978  11.055
  319   1HB   GLN  41          2HB       GLN  41  75.485   2.153  11.370
  320   2HB   GLN  41          3HB       GLN  41  75.679   2.330   9.627
  321   1HG   GLN  41          2HG       GLN  41  75.654   4.552  10.587
  322   2HG   GLN  41          3HG       GLN  41  74.124   4.315   9.738
  323   1HE2  GLN  41          HE22      GLN  41  72.684   5.467  12.795
  324   2HE2  GLN  41          HE21      GLN  41  73.090   5.911  11.208
  325    H    GLY  42           HN       GLY  42  74.130   0.919   7.859
  326   1HA   GLY  42          2HA       GLY  42  72.673   1.155   5.915
  327   2HA   GLY  42          3HA       GLY  42  71.947   2.569   6.680
  328    H    CYS  43           HN       CYS  43  74.941   3.264   7.385
  329    HA   CYS  43           HA       CYS  43  75.286   5.004   5.061
  330   1HB   CYS  43          2HB       CYS  43  77.004   4.581   7.524
  331   2HB   CYS  43          3HB       CYS  43  77.289   5.822   6.305
  332    HG   CYS  43           HG       CYS  43  74.901   6.825   6.944
  333    H    TYR  44           HN       TYR  44  77.350   5.038   3.805
  334    HA   TYR  44           HA       TYR  44  78.128   2.285   3.104
  335   1HB   TYR  44          2HB       TYR  44  78.903   4.974   1.928
  336   2HB   TYR  44          3HB       TYR  44  79.417   3.417   1.278
  337    HD1  TYR  44           HD2      TYR  44  76.519   5.650   1.854
  338    HD2  TYR  44           HD1      TYR  44  77.867   1.966   0.096
  339    HE1  TYR  44           HE2      TYR  44  74.390   5.469   0.597
  340    HE2  TYR  44           HE1      TYR  44  75.734   1.791  -1.164
  341    HH   TYR  44           HH       TYR  44  73.287   2.727  -0.778
  342    H    ALA  45           HN       ALA  45  80.392   1.579   3.089
  343    HA   ALA  45           HA       ALA  45  82.369   3.240   4.486
  344   1HB   ALA  45           HB3      ALA  45  81.016   0.874   5.769
  345   2HB   ALA  45           HB2      ALA  45  82.666   1.302   6.209
  346   3HB   ALA  45           HB1      ALA  45  81.357   2.455   6.468
  347    H    CYS  46           HN       CYS  46  84.499   2.347   4.316
  348    HA   CYS  46           HA       CYS  46  84.683   0.006   2.461
  349   1HB   CYS  46          2HB       CYS  46  86.639   2.305   2.825
  350   2HB   CYS  46          3HB       CYS  46  86.856   0.942   1.724
  351    HG   CYS  46           HG       CYS  46  85.759   2.928   0.385
  352    H    SER  47           HN       SER  47  85.563  -1.780   3.398
  353    HA   SER  47           HA       SER  47  86.902  -1.443   6.019
  354   1HB   SER  47          2HB       SER  47  85.123  -3.156   5.839
  355   2HB   SER  47          3HB       SER  47  86.037  -3.964   4.570
  356    HG   SER  47           HG       SER  47  87.600  -3.500   6.712
  357    H    VAL  48           HN       VAL  48  89.077  -1.658   6.237
  358    HA   VAL  48           HA       VAL  48  90.542  -2.945   3.991
  359    HB   VAL  48           HB       VAL  48  90.564  -0.419   3.846
  360   1HG1  VAL  48          HG11      VAL  48  90.845  -0.407   6.487
  361   2HG1  VAL  48          HG13      VAL  48  92.556  -0.419   6.057
  362   3HG1  VAL  48          HG12      VAL  48  91.512   0.883   5.486
  363   1HG2  VAL  48          HG23      VAL  48  92.499  -2.239   3.258
  364   2HG2  VAL  48          HG22      VAL  48  92.632  -0.520   2.888
  365   3HG2  VAL  48          HG21      VAL  48  93.379  -1.167   4.347
  366    H    VAL  49           HN       VAL  49  92.841  -3.361   4.614
  367    HA   VAL  49           HA       VAL  49  93.016  -4.164   7.493
  368    HB   VAL  49           HB       VAL  49  94.202  -5.439   5.026
  369   1HG1  VAL  49          HG11      VAL  49  95.003  -5.544   7.849
  370   2HG1  VAL  49          HG13      VAL  49  94.720  -7.129   7.133
  371   3HG1  VAL  49          HG12      VAL  49  95.896  -6.033   6.406
  372   1HG2  VAL  49          HG22      VAL  49  91.736  -5.778   6.204
  373   2HG2  VAL  49          HG21      VAL  49  92.539  -6.972   5.188
  374   3HG2  VAL  49          HG23      VAL  49  92.687  -7.061   6.944
  375    H    VAL  50           HN       VAL  50  94.779  -3.359   8.621
  376    HA   VAL  50           HA       VAL  50  96.751  -1.835   6.983
  377    HB   VAL  50           HB       VAL  50  95.208  -1.096   9.303
  378   1HG1  VAL  50          HG12      VAL  50  97.150  -1.903  10.609
  379   2HG1  VAL  50          HG11      VAL  50  98.216  -0.882   9.643
  380   3HG1  VAL  50          HG13      VAL  50  97.005  -0.148  10.694
  381   1HG2  VAL  50          HG22      VAL  50  95.730   0.203   7.198
  382   2HG2  VAL  50          HG21      VAL  50  95.935   1.110   8.695
  383   3HG2  VAL  50          HG23      VAL  50  97.347   0.472   7.847
  384    H    ASP  51           HN       ASP  51  98.938  -1.764   7.860
  385    HA   ASP  51           HA       ASP  51 100.011  -4.349   8.359
  386   1HB   ASP  51          2HB       ASP  51 101.113  -1.549   8.645
  387   2HB   ASP  51          3HB       ASP  51 102.098  -2.980   8.964
  388    H    GLY  52           HN       GLY  52  98.144  -4.347  10.296
  389   1HA   GLY  52          2HA       GLY  52  99.441  -4.996  12.652
  390   2HA   GLY  52          3HA       GLY  52  99.141  -3.267  12.804
  391    H    GLU  53           HN       GLU  53  96.552  -3.275  11.408
  392    HA   GLU  53           HA       GLU  53  94.905  -5.164  12.970
  393   1HB   GLU  53          2HB       GLU  53  94.836  -2.177  13.460
  394   2HB   GLU  53          3HB       GLU  53  93.563  -3.278  13.982
  395   1HG   GLU  53          2HG       GLU  53  94.908  -3.192  15.885
  396   2HG   GLU  53          3HG       GLU  53  95.546  -4.617  15.066
  397    H    VAL  54           HN       VAL  54  92.596  -5.016  12.412
  398    HA   VAL  54           HA       VAL  54  92.241  -4.218   9.580
  399    HB   VAL  54           HB       VAL  54  90.453  -5.770  11.483
  400   1HG1  VAL  54          HG12      VAL  54  90.194  -5.186   8.518
  401   2HG1  VAL  54          HG11      VAL  54  89.166  -6.299   9.422
  402   3HG1  VAL  54          HG13      VAL  54  89.142  -4.576   9.793
  403   1HG2  VAL  54          HG22      VAL  54  92.614  -6.858  10.709
  404   2HG2  VAL  54          HG21      VAL  54  91.146  -7.718  10.244
  405   3HG2  VAL  54          HG23      VAL  54  92.001  -6.732   9.058
  406    H    LYS  55           HN       LYS  55  90.858  -2.533   8.965
  407    HA   LYS  55           HA       LYS  55  89.459  -1.121  11.207
  408   1HB   LYS  55          2HB       LYS  55  90.941   0.050   8.844
  409   2HB   LYS  55          3HB       LYS  55  89.894   0.992   9.906
  410   1HG   LYS  55          2HG       LYS  55  91.838   1.309  11.069
  411   2HG   LYS  55          3HG       LYS  55  91.418  -0.262  11.755
  412   1HD   LYS  55          2HD       LYS  55  92.783  -1.386  10.041
  413   2HD   LYS  55          3HD       LYS  55  93.201   0.183   9.346
  414   1HE   LYS  55          2HE       LYS  55  94.553  -1.152  11.429
  415   2HE   LYS  55          3HE       LYS  55  94.824   0.503  10.882
  416   1HZ   LYS  55           HZ3      LYS  55  92.797  -0.307  12.896
  417   2HZ   LYS  55           HZ2      LYS  55  94.313   0.365  13.262
  418   3HZ   LYS  55           HZ1      LYS  55  93.159   1.279  12.413
  419    H    HIS  56           HN       HIS  56  87.698   0.360  10.376
  420    HA   HIS  56           HA       HIS  56  86.331  -0.774   7.977
  421   1HB   HIS  56          2HB       HIS  56  85.081  -0.083  10.653
  422   2HB   HIS  56          3HB       HIS  56  84.169  -0.501   9.202
  423    HD1  HIS  56           HD1      HIS  56  85.597  -2.873   8.098
  424    HD2  HIS  56           HD2      HIS  56  85.057  -2.364  12.200
  425    HE1  HIS  56           HE1      HIS  56  85.805  -5.173   9.137
  426    H    CYS  57           HN       CYS  57  87.454   1.222   7.082
  427    HA   CYS  57           HA       CYS  57  86.958   3.854   7.888
  428   1HB   CYS  57          2HB       CYS  57  87.133   2.772   5.062
  429   2HB   CYS  57          3HB       CYS  57  87.279   4.474   5.505
  430    HG   CYS  57           HG       CYS  57  89.691   3.478   5.438
  431    H    VAL  58           HN       VAL  58  85.317   5.368   7.423
  432    HA   VAL  58           HA       VAL  58  82.747   4.107   6.594
  433    HB   VAL  58           HB       VAL  58  83.420   6.184   8.650
  434   1HG1  VAL  58          HG12      VAL  58  80.750   5.723   7.289
  435   2HG1  VAL  58          HG11      VAL  58  80.927   6.566   8.827
  436   3HG1  VAL  58          HG13      VAL  58  81.658   7.235   7.368
  437   1HG2  VAL  58          HG22      VAL  58  82.976   3.509   8.812
  438   2HG2  VAL  58          HG21      VAL  58  82.612   4.632  10.121
  439   3HG2  VAL  58          HG23      VAL  58  81.332   4.111   9.025
  440    H    ILE  59           HN       ILE  59  81.604   4.990   4.971
  441    HA   ILE  59           HA       ILE  59  82.506   7.623   3.885
  442    HB   ILE  59           HB       ILE  59  81.317   5.244   2.417
  443   1HG1  ILE  59          HG12      ILE  59  84.063   6.539   2.297
  444   2HG1  ILE  59          HG11      ILE  59  83.695   4.982   3.040
  445   1HG2  ILE  59          HG22      ILE  59  81.081   7.951   1.792
  446   2HG2  ILE  59          HG21      ILE  59  82.451   7.415   0.819
  447   3HG2  ILE  59          HG23      ILE  59  80.889   6.610   0.666
  448   1HD1  ILE  59          HD13      ILE  59  83.106   5.587   0.135
  449   2HD1  ILE  59          HD12      ILE  59  84.619   4.863   0.674
  450   3HD1  ILE  59          HD11      ILE  59  83.095   4.014   0.932
  451    H    ASN  60           HN       ASN  60  80.840   9.155   3.567
  452    HA   ASN  60           HA       ASN  60  78.080   8.159   4.173
  453   1HB   ASN  60          2HB       ASN  60  79.394  10.705   5.161
  454   2HB   ASN  60          3HB       ASN  60  77.668  10.372   5.298
  455   1HD2  ASN  60          HD22      ASN  60  78.912   7.284   7.294
  456   2HD2  ASN  60          HD21      ASN  60  78.476   7.370   5.656
  457    H    LYS  61           HN       LYS  61  76.564   8.748   2.701
  458    HA   LYS  61           HA       LYS  61  77.437  10.548   0.509
  459   1HB   LYS  61          2HB       LYS  61  75.113   8.625   0.765
  460   2HB   LYS  61          3HB       LYS  61  75.387   9.658  -0.637
  461   1HG   LYS  61          2HG       LYS  61  77.675   8.648  -0.860
  462   2HG   LYS  61          3HG       LYS  61  77.252   7.524   0.430
  463   1HD   LYS  61          2HD       LYS  61  76.771   6.327  -1.555
  464   2HD   LYS  61          3HD       LYS  61  75.199   6.924  -1.021
  465   1HE   LYS  61          2HE       LYS  61  75.297   8.766  -2.599
  466   2HE   LYS  61          3HE       LYS  61  76.956   8.355  -3.038
  467   1HZ   LYS  61           HZ2      LYS  61  75.879   6.065  -3.586
  468   2HZ   LYS  61           HZ1      LYS  61  74.451   6.980  -3.713
  469   3HZ   LYS  61           HZ3      LYS  61  75.782   7.343  -4.701
  470    H    THR  62           HN       THR  62  76.805  12.619   0.553
  471    HA   THR  62           HA       THR  62  74.066  13.310   1.353
  472    HB   THR  62           HB       THR  62  75.574  13.365   3.446
  473    HG1  THR  62           HG1      THR  62  73.541  14.440   3.186
  474   1HG2  THR  62          HG22      THR  62  77.225  14.855   1.805
  475   2HG2  THR  62          HG21      THR  62  76.424  16.078   2.793
  476   3HG2  THR  62          HG23      THR  62  77.325  14.774   3.562
  477    H    ALA  63           HN       ALA  63  73.874  15.847   1.102
  478    HA   ALA  63           HA       ALA  63  74.475  16.516  -1.575
  479   1HB   ALA  63           HB1      ALA  63  72.860  17.670   0.109
  480   2HB   ALA  63           HB3      ALA  63  74.273  18.606   0.594
  481   3HB   ALA  63           HB2      ALA  63  73.689  18.689  -1.068
  482    H    THR  64           HN       THR  64  76.503  16.522   1.226
  483    HA   THR  64           HA       THR  64  78.796  17.296  -0.389
  484    HB   THR  64           HB       THR  64  77.696  19.485   0.244
  485    HG1  THR  64           HG1      THR  64  80.143  19.385   1.566
  486   1HG2  THR  64          HG23      THR  64  77.355  18.325   2.684
  487   2HG2  THR  64          HG22      THR  64  78.802  19.291   2.974
  488   3HG2  THR  64          HG21      THR  64  77.322  20.066   2.407
  489    H    GLY  65           HN       GLY  65  79.244  15.070   0.473
  490   1HA   GLY  65          2HA       GLY  65  80.859  15.275   2.902
  491   2HA   GLY  65          3HA       GLY  65  79.434  14.260   3.102
  492    H    TYR  66           HN       TYR  66  79.203  12.499   1.366
  493    HA   TYR  66           HA       TYR  66  80.101  10.561   0.392
  494   1HB   TYR  66          2HB       TYR  66  82.252  12.565  -0.320
  495   2HB   TYR  66          3HB       TYR  66  82.254  10.901  -0.898
  496    HD1  TYR  66           HD1      TYR  66  80.343  10.069  -2.299
  497    HD2  TYR  66           HD2      TYR  66  80.819  14.215  -1.283
  498    HE1  TYR  66           HE1      TYR  66  78.791  10.694  -4.127
  499    HE2  TYR  66           HE2      TYR  66  79.271  14.842  -3.118
  500    HH   TYR  66           HH       TYR  66  78.547  13.078  -5.592
  501    H    GLY  67           HN       GLY  67  81.499  12.111   2.997
  502   1HA   GLY  67          2HA       GLY  67  82.367  10.269   4.628
  503   2HA   GLY  67          3HA       GLY  67  83.566   9.990   3.361
  504    H    PHE  68           HN       PHE  68  85.284  11.420   3.145
  505    HA   PHE  68           HA       PHE  68  85.780  13.207   5.412
  506   1HB   PHE  68          2HB       PHE  68  87.394  12.857   2.867
  507   2HB   PHE  68          3HB       PHE  68  87.957  13.568   4.374
  508    HD1  PHE  68           HD1      PHE  68  87.173  11.819   6.479
  509    HD2  PHE  68           HD2      PHE  68  88.351  10.804   2.476
  510    HE1  PHE  68           HE1      PHE  68  87.870   9.568   7.253
  511    HE2  PHE  68           HE2      PHE  68  89.045   8.553   3.248
  512    HZ   PHE  68           HZ       PHE  68  88.809   7.935   5.637
  513    H    ALA  69           HN       ALA  69  85.385  15.426   5.379
  514    HA   ALA  69           HA       ALA  69  84.876  16.671   2.697
  515   1HB   ALA  69           HB1      ALA  69  82.773  16.249   4.070
  516   2HB   ALA  69           HB3      ALA  69  83.402  17.407   5.243
  517   3HB   ALA  69           HB2      ALA  69  83.036  17.927   3.598
  518    H    GLU  70           HN       GLU  70  86.545  16.808   5.699
  519    HA   GLU  70           HA       GLU  70  86.921  19.642   5.888
  520   1HB   GLU  70          2HB       GLU  70  87.477  18.033   7.727
  521   2HB   GLU  70          3HB       GLU  70  88.865  17.492   6.789
  522   1HG   GLU  70          2HG       GLU  70  89.623  19.159   8.371
  523   2HG   GLU  70          3HG       GLU  70  89.697  19.851   6.751
  524    HA   PRO  71           HA       PRO  71  90.635  18.982   3.006
  525   1HB   PRO  71          2HB       PRO  71  90.953  16.600   1.753
  526   2HB   PRO  71          3HB       PRO  71  91.525  16.875   3.409
  527   1HG   PRO  71          2HG       PRO  71  89.238  15.300   2.450
  528   2HG   PRO  71          3HG       PRO  71  90.160  15.160   3.954
  529   1HD   PRO  71          2HD       PRO  71  87.610  16.430   3.575
  530   2HD   PRO  71          3HD       PRO  71  88.559  16.328   5.068
  531    H    TYR  72           HN       TYR  72  88.267  16.715   1.630
  532    HA   TYR  72           HA       TYR  72  87.836  18.621  -0.635
  533   1HB   TYR  72          2HB       TYR  72  87.833  15.582  -0.689
  534   2HB   TYR  72          3HB       TYR  72  87.404  16.618  -2.050
  535    HD1  TYR  72           HD2      TYR  72  89.212  18.487  -2.632
  536    HD2  TYR  72           HD1      TYR  72  90.033  14.843  -0.510
  537    HE1  TYR  72           HE2      TYR  72  91.606  18.660  -3.260
  538    HE2  TYR  72           HE1      TYR  72  92.425  15.014  -1.140
  539    HH   TYR  72           HH       TYR  72  93.554  16.985  -3.548
  540    H    ASN  73           HN       ASN  73  85.871  19.502  -0.070
  541    HA   ASN  73           HA       ASN  73  83.808  17.797   1.184
  542   1HB   ASN  73          2HB       ASN  73  82.616  19.839   1.581
  543   2HB   ASN  73          3HB       ASN  73  84.315  20.179   1.912
  544   1HD2  ASN  73          HD22      ASN  73  83.463  22.981  -0.229
  545   2HD2  ASN  73          HD21      ASN  73  83.378  22.495   1.395
  546    H    LEU  74           HN       LEU  74  84.713  17.603  -1.726
  547    HA   LEU  74           HA       LEU  74  82.006  17.335  -2.828
  548   1HB   LEU  74          2HB       LEU  74  82.435  19.701  -3.284
  549   2HB   LEU  74          3HB       LEU  74  83.972  19.299  -4.047
  550    HG   LEU  74           HG       LEU  74  82.709  17.895  -5.706
  551   1HD1  LEU  74          HD12      LEU  74  80.443  18.939  -4.047
  552   2HD1  LEU  74          HD11      LEU  74  80.183  18.709  -5.778
  553   3HD1  LEU  74          HD13      LEU  74  80.659  17.343  -4.770
  554   1HD2  LEU  74          HD21      LEU  74  83.333  20.405  -5.976
  555   2HD2  LEU  74          HD23      LEU  74  82.139  19.728  -7.085
  556   3HD2  LEU  74          HD22      LEU  74  81.615  20.709  -5.718
  557    H    TYR  75           HN       TYR  75  82.331  15.210  -3.398
  558    HA   TYR  75           HA       TYR  75  84.804  14.455  -4.860
  559   1HB   TYR  75          2HB       TYR  75  82.527  12.783  -3.750
  560   2HB   TYR  75          3HB       TYR  75  83.959  12.128  -4.548
  561    HD1  TYR  75           HD2      TYR  75  82.953  14.400  -1.749
  562    HD2  TYR  75           HD1      TYR  75  85.887  11.670  -3.287
  563    HE1  TYR  75           HE2      TYR  75  84.208  14.551   0.383
  564    HE2  TYR  75           HE1      TYR  75  87.139  11.828  -1.155
  565    HH   TYR  75           HH       TYR  75  87.260  13.780   0.770
  566    H    SER  76           HN       SER  76  84.774  13.823  -7.027
  567    HA   SER  76           HA       SER  76  82.630  14.760  -8.683
  568   1HB   SER  76          2HB       SER  76  83.860  13.671 -10.521
  569   2HB   SER  76          3HB       SER  76  84.952  14.579  -9.478
  570    HG   SER  76           HG       SER  76  85.783  12.750  -8.739
  571    H    SER  77           HN       SER  77  83.539  11.441  -7.687
  572    HA   SER  77           HA       SER  77  80.776  10.578  -7.852
  573   1HB   SER  77          2HB       SER  77  81.040   8.959  -9.678
  574   2HB   SER  77          3HB       SER  77  81.338  10.593 -10.262
  575    HG   SER  77           HG       SER  77  83.637  10.038  -9.699
  576    H    LEU  78           HN       LEU  78  80.595   8.229  -7.258
  577    HA   LEU  78           HA       LEU  78  82.399   7.575  -5.134
  578   1HB   LEU  78          2HB       LEU  78  80.336   5.923  -6.605
  579   2HB   LEU  78          3HB       LEU  78  81.228   5.331  -5.203
  580    HG   LEU  78           HG       LEU  78  79.627   7.902  -5.185
  581   1HD1  LEU  78          HD12      LEU  78  78.856   5.090  -4.351
  582   2HD1  LEU  78          HD11      LEU  78  77.972   6.533  -3.857
  583   3HD1  LEU  78          HD13      LEU  78  78.065   6.096  -5.563
  584   1HD2  LEU  78          HD22      LEU  78  81.390   6.482  -3.317
  585   2HD2  LEU  78          HD21      LEU  78  80.818   8.149  -3.270
  586   3HD2  LEU  78          HD23      LEU  78  79.812   6.852  -2.623
  587    H    LYS  79           HN       LYS  79  82.230   6.477  -8.519
  588    HA   LYS  79           HA       LYS  79  84.133   4.366  -8.336
  589   1HB   LYS  79          2HB       LYS  79  82.734   4.821 -10.340
  590   2HB   LYS  79          3HB       LYS  79  83.679   6.276 -10.654
  591   1HG   LYS  79          2HG       LYS  79  85.705   4.934 -10.948
  592   2HG   LYS  79          3HG       LYS  79  84.819   3.465 -10.536
  593   1HD   LYS  79          2HD       LYS  79  84.189   5.269 -12.894
  594   2HD   LYS  79          3HD       LYS  79  85.064   3.741 -12.998
  595   1HE   LYS  79          2HE       LYS  79  82.909   3.020 -13.462
  596   2HE   LYS  79          3HE       LYS  79  82.942   2.817 -11.710
  597   1HZ   LYS  79           HZ2      LYS  79  82.221   5.391 -11.974
  598   2HZ   LYS  79           HZ1      LYS  79  81.453   4.688 -13.316
  599   3HZ   LYS  79           HZ3      LYS  79  81.133   4.102 -11.758
  600    H    GLU  80           HN       GLU  80  84.597   7.841  -8.981
  601    HA   GLU  80           HA       GLU  80  87.462   7.680  -9.209
  602   1HB   GLU  80          2HB       GLU  80  85.656  10.002  -8.468
  603   2HB   GLU  80          3HB       GLU  80  87.378  10.149  -8.830
  604   1HG   GLU  80          2HG       GLU  80  86.950   9.111 -11.062
  605   2HG   GLU  80          3HG       GLU  80  85.224   9.118 -10.699
  606    H    LEU  81           HN       LEU  81  85.248   7.933  -6.510
  607    HA   LEU  81           HA       LEU  81  87.028   8.859  -4.510
  608   1HB   LEU  81          2HB       LEU  81  84.571   8.595  -4.228
  609   2HB   LEU  81          3HB       LEU  81  84.780   6.847  -4.205
  610    HG   LEU  81           HG       LEU  81  86.358   8.569  -2.308
  611   1HD1  LEU  81          HD12      LEU  81  83.431   8.013  -2.258
  612   2HD1  LEU  81          HD11      LEU  81  84.302   7.831  -0.734
  613   3HD1  LEU  81          HD13      LEU  81  84.331   9.375  -1.587
  614   1HD2  LEU  81          HD22      LEU  81  85.514   5.703  -2.539
  615   2HD2  LEU  81          HD21      LEU  81  87.073   6.380  -2.071
  616   3HD2  LEU  81          HD23      LEU  81  85.734   6.376  -0.926
  617    H    VAL  82           HN       VAL  82  86.411   5.502  -5.632
  618    HA   VAL  82           HA       VAL  82  88.191   4.296  -3.724
  619    HB   VAL  82           HB       VAL  82  87.413   3.291  -6.478
  620   1HG1  VAL  82          HG11      VAL  82  88.500   1.865  -4.034
  621   2HG1  VAL  82          HG13      VAL  82  87.972   1.079  -5.523
  622   3HG1  VAL  82          HG12      VAL  82  89.375   2.148  -5.539
  623   1HG2  VAL  82          HG21      VAL  82  85.949   3.586  -3.978
  624   2HG2  VAL  82          HG23      VAL  82  85.353   3.103  -5.566
  625   3HG2  VAL  82          HG22      VAL  82  86.035   1.898  -4.476
  626    H    LEU  83           HN       LEU  83  88.693   5.388  -7.095
  627    HA   LEU  83           HA       LEU  83  91.457   4.581  -7.216
  628   1HB   LEU  83          2HB       LEU  83  89.815   6.592  -8.770
  629   2HB   LEU  83          3HB       LEU  83  91.534   6.378  -9.075
  630    HG   LEU  83           HG       LEU  83  90.327   5.007 -10.649
  631   1HD1  LEU  83          HD11      LEU  83  92.348   4.073  -9.230
  632   2HD1  LEU  83          HD13      LEU  83  91.126   2.964  -8.613
  633   3HD1  LEU  83          HD12      LEU  83  91.473   3.021 -10.341
  634   1HD2  LEU  83          HD21      LEU  83  88.942   3.795  -8.237
  635   2HD2  LEU  83          HD23      LEU  83  88.197   4.861  -9.425
  636   3HD2  LEU  83          HD22      LEU  83  88.749   3.257  -9.904
  637    H    HIS  84           HN       HIS  84  89.871   7.636  -6.373
  638    HA   HIS  84           HA       HIS  84  92.197   9.232  -6.067
  639   1HB   HIS  84          2HB       HIS  84  89.804  10.027  -6.080
  640   2HB   HIS  84          3HB       HIS  84  89.652   9.419  -4.431
  641    HD1  HIS  84           HD1      HIS  84  91.516  12.010  -6.464
  642    HD2  HIS  84           HD2      HIS  84  90.815  11.052  -2.468
  643    HE1  HIS  84           HE1      HIS  84  92.434  13.933  -5.094
  644    H    TYR  85           HN       TYR  85  90.557   7.107  -3.749
  645    HA   TYR  85           HA       TYR  85  92.165   7.876  -1.490
  646   1HB   TYR  85          2HB       TYR  85  90.309   5.592  -2.090
  647   2HB   TYR  85          3HB       TYR  85  91.254   5.603  -0.603
  648    HD1  TYR  85           HD2      TYR  85  90.294   8.822  -2.054
  649    HD2  TYR  85           HD1      TYR  85  89.124   5.734   0.693
  650    HE1  TYR  85           HE2      TYR  85  88.676  10.359  -1.013
  651    HE2  TYR  85           HE1      TYR  85  87.493   7.282   1.735
  652    HH   TYR  85           HH       TYR  85  86.529  10.165   0.308
  653    H    GLN  86           HN       GLN  86  92.731   5.509  -4.040
  654    HA   GLN  86           HA       GLN  86  94.541   3.837  -2.605
  655   1HB   GLN  86          2HB       GLN  86  95.226   2.987  -4.684
  656   2HB   GLN  86          3HB       GLN  86  93.588   3.552  -5.010
  657   1HG   GLN  86          2HG       GLN  86  94.676   5.768  -5.714
  658   2HG   GLN  86          3HG       GLN  86  96.199   4.885  -5.718
  659   1HE2  GLN  86          HE22      GLN  86  95.566   3.730  -8.967
  660   2HE2  GLN  86          HE21      GLN  86  96.678   4.357  -7.848
  661    H    HIS  87           HN       HIS  87  95.032   7.023  -4.070
  662    HA   HIS  87           HA       HIS  87  97.943   6.809  -3.559
  663   1HB   HIS  87          2HB       HIS  87  98.204   8.818  -4.782
  664   2HB   HIS  87          3HB       HIS  87  96.921   7.961  -5.635
  665    HD1  HIS  87           HD1      HIS  87  94.476   8.851  -5.323
  666    HD2  HIS  87           HD2      HIS  87  97.390  11.190  -3.477
  667    HE1  HIS  87           HE1      HIS  87  93.365  11.042  -4.720
  668    H    THR  88           HN       THR  88  95.199   7.608  -1.828
  669    HA   THR  88           HA       THR  88  96.546   9.696  -0.210
  670    HB   THR  88           HB       THR  88  94.362   9.986   0.817
  671    HG1  THR  88           HG1      THR  88  93.185   8.293   0.936
  672   1HG2  THR  88          HG22      THR  88  94.571   9.881  -2.153
  673   2HG2  THR  88          HG21      THR  88  92.981  10.176  -1.443
  674   3HG2  THR  88          HG23      THR  88  94.320  11.270  -1.093
  675    H    SER  89           HN       SER  89  97.192   9.304   1.890
  676    HA   SER  89           HA       SER  89  97.137   6.464   2.763
  677   1HB   SER  89          2HB       SER  89  99.320   7.609   2.738
  678   2HB   SER  89          3HB       SER  89  98.688   8.850   3.813
  679    HG   SER  89           HG       SER  89  98.151   6.476   4.872
  680    H    LEU  90           HN       LEU  90  95.729   5.851   4.362
  681    HA   LEU  90           HA       LEU  90  93.925   7.761   5.545
  682   1HB   LEU  90          2HB       LEU  90  94.544   4.889   6.289
  683   2HB   LEU  90          3HB       LEU  90  93.246   5.841   7.010
  684    HG   LEU  90           HG       LEU  90  93.506   5.450   4.028
  685   1HD1  LEU  90          HD13      LEU  90  92.838   3.482   5.981
  686   2HD1  LEU  90          HD12      LEU  90  91.344   3.951   5.172
  687   3HD1  LEU  90          HD11      LEU  90  92.706   3.353   4.226
  688   1HD2  LEU  90          HD23      LEU  90  91.830   7.012   5.762
  689   2HD2  LEU  90          HD22      LEU  90  91.794   6.911   4.001
  690   3HD2  LEU  90          HD21      LEU  90  90.839   5.788   4.968
  691    H    VAL  91           HN       VAL  91  97.106   6.711   6.408
  692    HA   VAL  91           HA       VAL  91  97.809   6.703   8.911
  693    HB   VAL  91           HB       VAL  91  99.356   7.638   7.247
  694   1HG1  VAL  91          HG11      VAL  91  97.478   9.242   6.385
  695   2HG1  VAL  91          HG13      VAL  91  98.100  10.349   7.611
  696   3HG1  VAL  91          HG12      VAL  91  99.156   9.779   6.319
  697   1HG2  VAL  91          HG23      VAL  91  99.851   7.983   9.651
  698   2HG2  VAL  91          HG22      VAL  91 100.475   9.301   8.667
  699   3HG2  VAL  91          HG21      VAL  91  98.995   9.524   9.597
  700    H    GLN  92           HN       GLN  92  96.451   9.828   7.768
  701    HA   GLN  92           HA       GLN  92  96.145  11.276  10.046
  702   1HB   GLN  92          2HB       GLN  92  95.184  11.830   7.768
  703   2HB   GLN  92          3HB       GLN  92  93.799  10.822   8.188
  704   1HG   GLN  92          2HG       GLN  92  93.195  13.070   8.774
  705   2HG   GLN  92          3HG       GLN  92  93.556  12.241  10.289
  706   1HE2  GLN  92          HE22      GLN  92  96.431  14.831   8.873
  707   2HE2  GLN  92          HE21      GLN  92  95.526  13.921   7.763
  708    H    HIS  93           HN       HIS  93  94.513  11.443  11.756
  709    HA   HIS  93           HA       HIS  93  93.254  10.456  13.486
  710   1HB   HIS  93          2HB       HIS  93  91.569  10.367  11.607
  711   2HB   HIS  93          3HB       HIS  93  92.148   8.746  11.227
  712    HD1  HIS  93           HD1      HIS  93  91.574   6.842  12.903
  713    HD2  HIS  93           HD2      HIS  93  90.032  10.556  14.005
  714    HE1  HIS  93           HE1      HIS  93  89.904   6.403  14.757
  715    H    ASN  94           HN       ASN  94  94.603   9.266  14.811
  716    HA   ASN  94           HA       ASN  94  95.900   7.449  15.541
  717   1HB   ASN  94          2HB       ASN  94  93.924   6.037  13.723
  718   2HB   ASN  94          3HB       ASN  94  95.137   5.173  14.667
  719   1HD2  ASN  94          HD22      ASN  94  91.757   6.129  16.490
  720   2HD2  ASN  94          HD21      ASN  94  91.950   5.984  14.810
  721    H    ASP  95           HN       ASP  95  97.503   8.694  14.237
  722    HA   ASP  95           HA       ASP  95  98.373   8.591  11.720
  723   1HB   ASP  95          2HB       ASP  95 100.059   7.995  14.160
  724   2HB   ASP  95          3HB       ASP  95 100.743   8.336  12.571
  725    H    SER  96           HN       SER  96  97.987   5.708  13.623
  726    HA   SER  96           HA       SER  96  99.727   4.105  11.939
  727   1HB   SER  96          2HB       SER  96  98.877   2.199  13.191
  728   2HB   SER  96          3HB       SER  96  99.187   3.514  14.323
  729    HG   SER  96           HG       SER  96  97.137   2.596  14.678
  730    H    LEU  97           HN       LEU  97  97.215   5.646  10.848
  731    HA   LEU  97           HA       LEU  97  95.912   3.284   9.591
  732   1HB   LEU  97          2HB       LEU  97  95.222   6.242   9.387
  733   2HB   LEU  97          3HB       LEU  97  94.318   4.929   8.636
  734    HG   LEU  97           HG       LEU  97  94.721   5.346  11.612
  735   1HD1  LEU  97          HD11      LEU  97  92.977   6.683  10.079
  736   2HD1  LEU  97          HD13      LEU  97  92.051   5.197  10.276
  737   3HD1  LEU  97          HD12      LEU  97  92.543   6.121  11.694
  738   1HD2  LEU  97          HD21      LEU  97  93.758   3.049   9.976
  739   2HD2  LEU  97          HD23      LEU  97  94.556   3.050  11.547
  740   3HD2  LEU  97          HD22      LEU  97  92.838   3.429  11.430
  741    H    ASN  98           HN       ASN  98  98.620   3.721   9.007
  742    HA   ASN  98           HA       ASN  98  98.878   5.273   6.554
  743   1HB   ASN  98          2HB       ASN  98 100.690   3.342   8.007
  744   2HB   ASN  98          3HB       ASN  98 101.157   4.134   6.501
  745   1HD2  ASN  98          HD22      ASN  98 101.230   6.204   9.986
  746   2HD2  ASN  98          HD21      ASN  98 100.751   4.577   9.934
  747    H    VAL  99           HN       VAL  99  97.122   4.196   5.383
  748    HA   VAL  99           HA       VAL  99  98.157   1.974   3.755
  749    HB   VAL  99           HB       VAL  99  97.004   0.777   5.559
  750   1HG1  VAL  99          HG12      VAL  99  94.757   2.669   4.839
  751   2HG1  VAL  99          HG11      VAL  99  94.462   1.157   5.698
  752   3HG1  VAL  99          HG13      VAL  99  95.481   2.399   6.425
  753   1HG2  VAL  99          HG22      VAL  99  96.805   0.020   3.155
  754   2HG2  VAL  99          HG21      VAL  99  95.487  -0.519   4.198
  755   3HG2  VAL  99          HG23      VAL  99  95.242   0.836   3.096
  756    H    THR 100           HN       THR 100  96.851   1.725   1.780
  757    HA   THR 100           HA       THR 100  95.004   4.028   1.310
  758    HB   THR 100           HB       THR 100  95.940   4.400  -0.878
  759    HG1  THR 100           HG1      THR 100  97.029   1.929  -0.405
  760   1HG2  THR 100          HG21      THR 100  97.492   4.634   1.527
  761   2HG2  THR 100          HG23      THR 100  98.572   4.310   0.170
  762   3HG2  THR 100          HG22      THR 100  97.479   5.692   0.117
  763    H    LEU 101           HN       LEU 101  93.413   3.588  -0.422
  764    HA   LEU 101           HA       LEU 101  92.580   0.763  -0.415
  765   1HB   LEU 101          2HB       LEU 101  91.371   3.146  -1.861
  766   2HB   LEU 101          3HB       LEU 101  90.593   1.586  -1.594
  767    HG   LEU 101           HG       LEU 101  91.343   3.663   0.471
  768   1HD1  LEU 101          HD12      LEU 101  89.140   3.828  -0.722
  769   2HD1  LEU 101          HD11      LEU 101  88.733   2.230  -0.097
  770   3HD1  LEU 101          HD13      LEU 101  88.980   3.575   1.016
  771   1HD2  LEU 101          HD21      LEU 101  90.714   0.731   0.781
  772   2HD2  LEU 101          HD23      LEU 101  92.033   1.651   1.505
  773   3HD2  LEU 101          HD22      LEU 101  90.381   1.877   2.075
  774    H    ALA 102           HN       ALA 102  94.815   0.404  -1.573
  775    HA   ALA 102           HA       ALA 102  94.580   0.967  -4.471
  776   1HB   ALA 102           HB1      ALA 102  96.649   1.640  -3.330
  777   2HB   ALA 102           HB3      ALA 102  96.946  -0.039  -2.880
  778   3HB   ALA 102           HB2      ALA 102  96.966   0.437  -4.578
  779    H    TYR 103           HN       TYR 103  94.631  -1.862  -2.304
  780    HA   TYR 103           HA       TYR 103  94.685  -3.526  -4.783
  781   1HB   TYR 103          2HB       TYR 103  96.455  -3.979  -3.112
  782   2HB   TYR 103          3HB       TYR 103  95.211  -4.369  -1.926
  783    HD1  TYR 103           HD2      TYR 103  96.231  -5.264  -5.425
  784    HD2  TYR 103           HD1      TYR 103  94.533  -6.584  -1.716
  785    HE1  TYR 103           HE2      TYR 103  96.126  -7.584  -6.297
  786    HE2  TYR 103           HE1      TYR 103  94.430  -8.899  -2.578
  787    HH   TYR 103           HH       TYR 103  96.046 -10.117  -4.763
  788    HA   PRO 104           HA       PRO 104  90.326  -4.308  -3.938
  789   1HB   PRO 104          2HB       PRO 104  89.897  -6.021  -6.002
  790   2HB   PRO 104          3HB       PRO 104  90.077  -4.271  -6.231
  791   1HG   PRO 104          2HG       PRO 104  92.053  -6.453  -6.658
  792   2HG   PRO 104          3HG       PRO 104  91.735  -5.013  -7.639
  793   1HD   PRO 104          2HD       PRO 104  93.830  -5.207  -5.884
  794   2HD   PRO 104          3HD       PRO 104  93.070  -3.665  -6.330
  795    H    VAL 105           HN       VAL 105  89.131  -5.971  -2.927
  796    HA   VAL 105           HA       VAL 105  90.697  -8.242  -1.934
  797    HB   VAL 105           HB       VAL 105  89.077  -6.897  -0.524
  798   1HG1  VAL 105          HG11      VAL 105  87.125  -8.263  -2.370
  799   2HG1  VAL 105          HG13      VAL 105  86.665  -7.867  -0.723
  800   3HG1  VAL 105          HG12      VAL 105  87.157  -6.587  -1.835
  801   1HG2  VAL 105          HG23      VAL 105  89.080  -9.882  -0.766
  802   2HG2  VAL 105          HG22      VAL 105  89.703  -8.861   0.530
  803   3HG2  VAL 105          HG21      VAL 105  87.967  -9.130   0.377
  804    H    TYR 106           HN       TYR 106  88.089  -7.741  -4.283
  805    HA   TYR 106           HA       TYR 106  88.346 -10.635  -4.962
  806   1HB   TYR 106          2HB       TYR 106  85.847  -8.994  -4.644
  807   2HB   TYR 106          3HB       TYR 106  85.866 -10.419  -5.683
  808    HD1  TYR 106           HD1      TYR 106  87.077 -12.547  -4.549
  809    HD2  TYR 106           HD2      TYR 106  85.218  -9.313  -2.423
  810    HE1  TYR 106           HE1      TYR 106  86.802 -14.008  -2.565
  811    HE2  TYR 106           HE2      TYR 106  84.949 -10.773  -0.437
  812    HH   TYR 106           HH       TYR 106  86.257 -14.072  -0.392
  813    H    ALA 107           HN       ALA 107  89.958  -9.175  -6.369
  814    HA   ALA 107           HA       ALA 107  88.560  -8.191  -8.800
  815   1HB   ALA 107           HB1      ALA 107  91.459  -8.120  -7.921
  816   2HB   ALA 107           HB3      ALA 107  90.921  -7.572  -9.507
  817   3HB   ALA 107           HB2      ALA 107  90.348  -6.756  -8.052
  818    H    GLN 108           HN       GLN 108  88.818  -9.177 -10.827
  819    HA   GLN 108           HA       GLN 108  90.131 -11.869 -10.790
  820   1HB   GLN 108          2HB       GLN 108  87.703 -10.904 -12.330
  821   2HB   GLN 108          3HB       GLN 108  88.474 -12.473 -12.571
  822   1HG   GLN 108          2HG       GLN 108  88.011 -13.119 -10.285
  823   2HG   GLN 108          3HG       GLN 108  87.408 -11.507  -9.904
  824   1HE2  GLN 108          HE22      GLN 108  84.174 -12.715 -10.635
  825   2HE2  GLN 108          HE21      GLN 108  85.212 -12.035  -9.477
  826    H    GLN 109           HN       GLN 109  91.137 -12.517 -12.835
  827    HA   GLN 109           HA       GLN 109  92.519 -10.291 -14.124
  828   1HB   GLN 109          2HB       GLN 109  93.596 -12.512 -13.647
  829   2HB   GLN 109          3HB       GLN 109  92.544 -13.232 -14.863
  830   1HG   GLN 109          2HG       GLN 109  94.660 -12.731 -15.923
  831   2HG   GLN 109          3HG       GLN 109  93.466 -11.586 -16.533
  832   1HE2  GLN 109          HE22      GLN 109  95.823  -9.071 -15.701
  833   2HE2  GLN 109          HE21      GLN 109  95.018  -9.886 -16.954
  834    H    ARG 110           HN       ARG 110  91.767  -9.233 -15.885
  835    HA   ARG 110           HA       ARG 110  89.886 -10.688 -17.697
  836   1HB   ARG 110          2HB       ARG 110  89.711  -7.806 -16.774
  837   2HB   ARG 110          3HB       ARG 110  88.689  -8.532 -18.018
  838   1HG   ARG 110          2HG       ARG 110  87.847 -10.167 -16.395
  839   2HG   ARG 110          3HG       ARG 110  88.898  -9.494 -15.153
  840   1HD   ARG 110          2HD       ARG 110  87.530  -7.740 -14.777
  841   2HD   ARG 110          3HD       ARG 110  87.260  -7.461 -16.495
  842    HE   ARG 110           HE       ARG 110  85.435  -8.719 -14.712
  843   1HH1  ARG 110          HH21      ARG 110  86.927  -9.342 -17.770
  844   2HH1  ARG 110          HH22      ARG 110  85.670 -10.410 -18.299
  845   1HH2  ARG 110          HH11      ARG 110  83.808 -10.089 -15.393
  846   2HH2  ARG 110          HH12      ARG 110  83.905 -10.833 -16.954
  847    H    ARG 111           HN       ARG 111  89.746  -9.477 -19.867
  848    HA   ARG 111           HA       ARG 111  90.858  -8.716 -21.784
  849   1HB   ARG 111          2HB       ARG 111  91.175  -6.681 -20.286
  850   2HB   ARG 111          3HB       ARG 111  92.759  -7.337 -19.868
  851   1HG   ARG 111          2HG       ARG 111  93.238  -7.455 -22.360
  852   2HG   ARG 111          3HG       ARG 111  91.766  -6.512 -22.599
  853   1HD   ARG 111          2HD       ARG 111  93.144  -5.141 -20.596
  854   2HD   ARG 111          3HD       ARG 111  94.408  -5.631 -21.723
  855    HE   ARG 111           HE       ARG 111  92.772  -3.448 -22.182
  856   1HH1  ARG 111          HH21      ARG 111  93.268  -6.505 -23.720
  857   2HH1  ARG 111          HH22      ARG 111  92.757  -5.945 -25.275
  858   1HH2  ARG 111          HH11      ARG 111  92.125  -2.716 -24.207
  859   2HH2  ARG 111          HH12      ARG 111  92.115  -3.808 -25.552
   
  No H/Q in entry =         859
  Start of MODEL   10
    1   1H    GLU   1           HT1      GLU   1  96.503  -1.352 -17.613
    2   2H    GLU   1           HT3      GLU   1  97.372  -0.804 -18.962
    3   3H    GLU   1           HT2      GLU   1  97.922  -0.444 -17.396
    4    HA   GLU   1           HA       GLU   1  96.787   1.436 -17.417
    5   1HB   GLU   1          2HB       GLU   1  97.099   1.317 -19.874
    6   2HB   GLU   1          3HB       GLU   1  95.579   0.433 -20.012
    7   1HG   GLU   1          2HG       GLU   1  94.330   2.316 -19.148
    8   2HG   GLU   1          3HG       GLU   1  95.818   3.190 -18.778
    9    H    ASP   2           HN       ASP   2  95.025  -1.534 -17.720
   10    HA   ASP   2           HA       ASP   2  92.420  -0.362 -17.105
   11   1HB   ASP   2          2HB       ASP   2  92.701  -2.511 -18.371
   12   2HB   ASP   2          3HB       ASP   2  93.296  -3.254 -16.885
   13    H    LEU   3           HN       LEU   3  91.759   0.208 -15.091
   14    HA   LEU   3           HA       LEU   3  93.340  -0.760 -12.763
   15   1HB   LEU   3          2HB       LEU   3  91.344   1.509 -13.015
   16   2HB   LEU   3          3HB       LEU   3  92.224   1.099 -11.544
   17    HG   LEU   3           HG       LEU   3  93.564   1.818 -14.167
   18   1HD1  LEU   3          HD13      LEU   3  92.140   3.544 -12.562
   19   2HD1  LEU   3          HD12      LEU   3  93.768   3.682 -11.900
   20   3HD1  LEU   3          HD11      LEU   3  93.481   4.015 -13.608
   21   1HD2  LEU   3          HD21      LEU   3  94.497   1.204 -11.369
   22   2HD2  LEU   3          HD23      LEU   3  95.138   0.619 -12.906
   23   3HD2  LEU   3          HD22      LEU   3  95.447   2.278 -12.397
   24    HA   PRO   4           HA       PRO   4  89.836  -3.588 -12.136
   25   1HB   PRO   4          2HB       PRO   4  91.050  -3.953  -9.454
   26   2HB   PRO   4          3HB       PRO   4  90.671  -5.164 -10.694
   27   1HG   PRO   4          2HG       PRO   4  93.183  -4.409 -10.147
   28   2HG   PRO   4          3HG       PRO   4  92.662  -4.877 -11.774
   29   1HD   PRO   4          2HD       PRO   4  93.221  -2.148 -10.687
   30   2HD   PRO   4          3HD       PRO   4  93.459  -2.793 -12.330
   31    H    HIS   5           HN       HIS   5  90.674  -0.793 -10.396
   32    HA   HIS   5           HA       HIS   5  88.714  -0.835  -8.301
   33   1HB   HIS   5          2HB       HIS   5  90.047   1.464  -9.746
   34   2HB   HIS   5          3HB       HIS   5  89.099   1.627  -8.269
   35    HD1  HIS   5           HD1      HIS   5  90.000   0.011  -6.220
   36    HD2  HIS   5           HD2      HIS   5  92.711   0.927  -9.249
   37    HE1  HIS   5           HE1      HIS   5  92.302  -0.486  -5.294
   38    H    HIS   6           HN       HIS   6  88.559   0.147 -11.695
   39    HA   HIS   6           HA       HIS   6  86.134   1.642 -11.535
   40   1HB   HIS   6          2HB       HIS   6  85.961   1.237 -13.964
   41   2HB   HIS   6          3HB       HIS   6  87.606   1.682 -13.507
   42    HD1  HIS   6           HD1      HIS   6  87.293  -1.600 -12.285
   43    HD2  HIS   6           HD2      HIS   6  87.775  -0.036 -16.117
   44    HE1  HIS   6           HE1      HIS   6  88.209  -3.477 -13.713
   45    H    ASP   7           HN       ASP   7  86.687  -1.723 -11.184
   46    HA   ASP   7           HA       ASP   7  83.840  -2.321 -11.787
   47   1HB   ASP   7          2HB       ASP   7  85.782  -3.759 -12.711
   48   2HB   ASP   7          3HB       ASP   7  85.935  -4.361 -11.060
   49    H    GLU   8           HN       GLU   8  82.461  -2.501 -10.095
   50    HA   GLU   8           HA       GLU   8  83.324  -2.010  -7.412
   51   1HB   GLU   8          2HB       GLU   8  80.698  -3.135  -8.423
   52   2HB   GLU   8          3HB       GLU   8  80.973  -2.473  -6.813
   53   1HG   GLU   8          2HG       GLU   8  80.262  -0.524  -7.757
   54   2HG   GLU   8          3HG       GLU   8  81.920  -0.442  -8.353
   55    H    LYS   9           HN       LYS   9  82.851  -4.969  -9.198
   56    HA   LYS   9           HA       LYS   9  82.582  -6.775  -7.009
   57   1HB   LYS   9          2HB       LYS   9  83.652  -7.053  -9.810
   58   2HB   LYS   9          3HB       LYS   9  83.701  -8.406  -8.686
   59   1HG   LYS   9          2HG       LYS   9  81.670  -8.397 -10.151
   60   2HG   LYS   9          3HG       LYS   9  81.299  -8.369  -8.430
   61   1HD   LYS   9          2HD       LYS   9  79.875  -6.762  -9.588
   62   2HD   LYS   9          3HD       LYS   9  81.015  -5.890  -8.571
   63   1HE   LYS   9          2HE       LYS   9  81.881  -4.822 -10.372
   64   2HE   LYS   9          3HE       LYS   9  82.169  -6.358 -11.189
   65   1HZ   LYS   9           HZ1      LYS   9  79.519  -6.142 -11.394
   66   2HZ   LYS   9           HZ3      LYS   9  79.967  -4.506 -11.453
   67   3HZ   LYS   9           HZ2      LYS   9  80.611  -5.603 -12.579
   68    H    THR  10           HN       THR  10  85.398  -5.426  -8.634
   69    HA   THR  10           HA       THR  10  87.377  -7.018  -7.387
   70    HB   THR  10           HB       THR  10  88.874  -5.022  -7.865
   71    HG1  THR  10           HG1      THR  10  86.503  -4.003  -9.022
   72   1HG2  THR  10          HG21      THR  10  87.295  -6.626  -9.739
   73   2HG2  THR  10          HG23      THR  10  87.892  -5.122 -10.445
   74   3HG2  THR  10          HG22      THR  10  89.024  -6.272  -9.739
   75    H    TRP  11           HN       TRP  11  85.651  -4.157  -6.192
   76    HA   TRP  11           HA       TRP  11  87.109  -4.581  -3.612
   77   1HB   TRP  11          2HB       TRP  11  86.335  -1.998  -3.399
   78   2HB   TRP  11          3HB       TRP  11  87.897  -2.490  -4.054
   79    HD1  TRP  11           HD1      TRP  11  87.960  -2.834  -6.782
   80    HE1  TRP  11           HE1      TRP  11  86.755  -1.488  -8.625
   81    HE3  TRP  11           HE3      TRP  11  84.364  -0.599  -3.984
   82    HZ2  TRP  11           HZ2      TRP  11  84.548   0.372  -8.846
   83    HZ3  TRP  11           HZ3      TRP  11  82.736   0.964  -5.002
   84    HH2  TRP  11           HH2      TRP  11  82.826   1.450  -7.430
   85    H    ASN  12           HN       ASN  12  83.974  -3.843  -5.112
   86    HA   ASN  12           HA       ASN  12  82.712  -3.640  -2.456
   87   1HB   ASN  12          2HB       ASN  12  81.999  -2.277  -4.490
   88   2HB   ASN  12          3HB       ASN  12  81.294  -3.769  -5.117
   89   1HD2  ASN  12          HD22      ASN  12  79.085  -1.685  -2.595
   90   2HD2  ASN  12          HD21      ASN  12  80.317  -1.056  -3.579
   91    H    VAL  13           HN       VAL  13  81.732  -5.285  -1.397
   92    HA   VAL  13           HA       VAL  13  81.457  -7.890  -2.836
   93    HB   VAL  13           HB       VAL  13  81.484  -8.924  -0.597
   94   1HG1  VAL  13          HG11      VAL  13  83.613  -7.917  -1.949
   95   2HG1  VAL  13          HG13      VAL  13  83.806  -7.099  -0.398
   96   3HG1  VAL  13          HG12      VAL  13  83.760  -8.862  -0.466
   97   1HG2  VAL  13          HG23      VAL  13  81.694  -6.039   0.300
   98   2HG2  VAL  13          HG22      VAL  13  80.446  -7.207   0.730
   99   3HG2  VAL  13          HG21      VAL  13  82.087  -7.403   1.345
  100    H    GLY  14           HN       GLY  14  79.638  -5.289  -1.721
  101   1HA   GLY  14          2HA       GLY  14  77.246  -5.153  -1.969
  102   2HA   GLY  14          3HA       GLY  14  77.165  -6.915  -1.903
  103    H    SER  15           HN       SER  15  75.435  -6.515  -0.269
  104    HA   SER  15           HA       SER  15  76.036  -5.260   2.250
  105   1HB   SER  15          2HB       SER  15  73.983  -6.325   3.043
  106   2HB   SER  15          3HB       SER  15  73.721  -5.682   1.423
  107    HG   SER  15           HG       SER  15  74.702  -8.130   1.187
  108    H    SER  16           HN       SER  16  76.448  -6.314   4.284
  109    HA   SER  16           HA       SER  16  77.091  -9.155   4.366
  110   1HB   SER  16          2HB       SER  16  79.095  -8.282   3.228
  111   2HB   SER  16          3HB       SER  16  79.317  -7.095   4.508
  112    HG   SER  16           HG       SER  16  80.286  -8.585   5.604
  113    H    ASN  17           HN       ASN  17  77.438  -9.852   6.545
  114    HA   ASN  17           HA       ASN  17  76.468  -7.927   8.565
  115   1HB   ASN  17          2HB       ASN  17  77.119 -10.889   8.747
  116   2HB   ASN  17          3HB       ASN  17  76.428  -9.927  10.056
  117   1HD2  ASN  17          HD22      ASN  17  73.556  -9.341   7.541
  118   2HD2  ASN  17          HD21      ASN  17  74.860  -8.328   7.931
  119    H    ARG  18           HN       ARG  18  79.287  -8.388   7.190
  120    HA   ARG  18           HA       ARG  18  81.477  -7.880   7.746
  121   1HB   ARG  18          2HB       ARG  18  80.112  -6.903  10.258
  122   2HB   ARG  18          3HB       ARG  18  81.855  -6.796  10.030
  123   1HG   ARG  18          2HG       ARG  18  79.803  -5.658   8.104
  124   2HG   ARG  18          3HG       ARG  18  80.672  -4.716   9.320
  125   1HD   ARG  18          2HD       ARG  18  82.135  -4.404   7.570
  126   2HD   ARG  18          3HD       ARG  18  82.772  -5.934   8.161
  127    HE   ARG  18           HE       ARG  18  80.744  -6.600   6.327
  128   1HH1  ARG  18          HH21      ARG  18  83.690  -4.815   6.394
  129   2HH1  ARG  18          HH22      ARG  18  84.064  -5.109   4.728
  130   1HH2  ARG  18          HH11      ARG  18  81.211  -6.997   4.148
  131   2HH2  ARG  18          HH12      ARG  18  82.658  -6.342   3.456
  132    H    ASN  19           HN       ASN  19  79.893 -10.438   8.807
  133    HA   ASN  19           HA       ASN  19  81.707 -11.366  10.908
  134   1HB   ASN  19          2HB       ASN  19  80.504 -13.472  10.742
  135   2HB   ASN  19          3HB       ASN  19  79.321 -12.167  10.662
  136   1HD2  ASN  19          HD22      ASN  19  78.766 -14.661   7.850
  137   2HD2  ASN  19          HD21      ASN  19  78.937 -14.855   9.527
  138    H    LYS  20           HN       LYS  20  81.131 -12.264   7.495
  139    HA   LYS  20           HA       LYS  20  83.518 -13.879   7.322
  140   1HB   LYS  20          2HB       LYS  20  83.060 -13.963   4.952
  141   2HB   LYS  20          3HB       LYS  20  81.503 -14.026   5.778
  142   1HG   LYS  20          2HG       LYS  20  81.318 -11.540   5.482
  143   2HG   LYS  20          3HG       LYS  20  82.784 -11.595   4.500
  144   1HD   LYS  20          2HD       LYS  20  81.652 -13.224   2.975
  145   2HD   LYS  20          3HD       LYS  20  80.179 -13.042   3.927
  146   1HE   LYS  20          2HE       LYS  20  79.894 -10.793   3.289
  147   2HE   LYS  20          3HE       LYS  20  81.568 -10.638   2.757
  148   1HZ   LYS  20           HZ3      LYS  20  79.906 -12.646   1.435
  149   2HZ   LYS  20           HZ2      LYS  20  79.600 -11.016   1.065
  150   3HZ   LYS  20           HZ1      LYS  20  81.143 -11.674   0.799
  151    H    ALA  21           HN       ALA  21  82.770 -10.496   7.021
  152    HA   ALA  21           HA       ALA  21  84.985  -9.562   5.530
  153   1HB   ALA  21           HB2      ALA  21  83.090  -8.125   6.250
  154   2HB   ALA  21           HB1      ALA  21  83.663  -8.234   7.915
  155   3HB   ALA  21           HB3      ALA  21  84.647  -7.426   6.696
  156    H    GLU  22           HN       GLU  22  84.686 -10.174   9.055
  157    HA   GLU  22           HA       GLU  22  87.336  -9.357   9.727
  158   1HB   GLU  22          2HB       GLU  22  85.499 -11.432  10.962
  159   2HB   GLU  22          3HB       GLU  22  87.048 -10.976  11.672
  160   1HG   GLU  22          2HG       GLU  22  84.836  -9.005  11.024
  161   2HG   GLU  22          3HG       GLU  22  85.091  -9.706  12.623
  162    H    ASN  23           HN       ASN  23  86.031 -12.541   8.788
  163    HA   ASN  23           HA       ASN  23  88.526 -13.935   8.819
  164   1HB   ASN  23          2HB       ASN  23  85.973 -14.376   7.254
  165   2HB   ASN  23          3HB       ASN  23  87.340 -15.491   7.204
  166   1HD2  ASN  23          HD22      ASN  23  86.706 -15.547  11.051
  167   2HD2  ASN  23          HD21      ASN  23  87.777 -14.547  10.196
  168    H    LEU  24           HN       LEU  24  86.786 -12.148   6.273
  169    HA   LEU  24           HA       LEU  24  88.761 -12.662   4.221
  170   1HB   LEU  24          2HB       LEU  24  86.627 -10.538   4.509
  171   2HB   LEU  24          3HB       LEU  24  87.639 -10.709   3.077
  172    HG   LEU  24           HG       LEU  24  85.873 -12.888   4.223
  173   1HD1  LEU  24          HD13      LEU  24  84.618 -10.989   3.190
  174   2HD1  LEU  24          HD12      LEU  24  85.544 -11.222   1.708
  175   3HD1  LEU  24          HD11      LEU  24  84.453 -12.487   2.271
  176   1HD2  LEU  24          HD21      LEU  24  87.893 -12.725   2.028
  177   2HD2  LEU  24          HD23      LEU  24  87.511 -14.071   3.098
  178   3HD2  LEU  24          HD22      LEU  24  86.451 -13.698   1.741
  179    H    LEU  25           HN       LEU  25  88.404 -10.246   6.745
  180    HA   LEU  25           HA       LEU  25  90.623  -8.629   5.640
  181   1HB   LEU  25          2HB       LEU  25  88.974  -8.379   8.177
  182   2HB   LEU  25          3HB       LEU  25  90.233  -7.242   7.696
  183    HG   LEU  25           HG       LEU  25  88.046  -7.883   5.745
  184   1HD1  LEU  25          HD13      LEU  25  87.067  -7.306   8.062
  185   2HD1  LEU  25          HD12      LEU  25  87.777  -5.708   7.828
  186   3HD1  LEU  25          HD11      LEU  25  86.550  -6.299   6.707
  187   1HD2  LEU  25          HD23      LEU  25  89.640  -5.388   6.418
  188   2HD2  LEU  25          HD22      LEU  25  89.985  -6.491   5.084
  189   3HD2  LEU  25          HD21      LEU  25  88.500  -5.542   5.087
  190    H    ARG  26           HN       ARG  26  90.123 -11.304   7.649
  191    HA   ARG  26           HA       ARG  26  92.595 -10.892   9.208
  192   1HB   ARG  26          2HB       ARG  26  90.330 -12.877   9.268
  193   2HB   ARG  26          3HB       ARG  26  91.864 -13.275  10.052
  194   1HG   ARG  26          2HG       ARG  26  91.716 -11.388  11.509
  195   2HG   ARG  26          3HG       ARG  26  90.400 -10.681  10.571
  196   1HD   ARG  26          2HD       ARG  26  88.909 -12.509  11.226
  197   2HD   ARG  26          3HD       ARG  26  90.230 -13.300  12.092
  198    HE   ARG  26           HE       ARG  26  90.122 -10.800  13.254
  199   1HH1  ARG  26          HH21      ARG  26  87.817 -13.276  12.556
  200   2HH1  ARG  26          HH22      ARG  26  86.850 -12.948  13.955
  201   1HH2  ARG  26          HH11      ARG  26  88.876 -10.364  15.075
  202   2HH2  ARG  26          HH12      ARG  26  87.451 -11.300  15.384
  203    H    GLY  27           HN       GLY  27  94.464 -11.431   8.242
  204   1HA   GLY  27          2HA       GLY  27  95.934 -13.182   7.387
  205   2HA   GLY  27          3HA       GLY  27  94.533 -13.923   6.612
  206    H    LYS  28           HN       LYS  28  94.261 -10.640   6.199
  207    HA   LYS  28           HA       LYS  28  95.376 -10.859   3.452
  208   1HB   LYS  28          2HB       LYS  28  93.376  -8.944   4.675
  209   2HB   LYS  28          3HB       LYS  28  94.029  -8.759   3.048
  210   1HG   LYS  28          2HG       LYS  28  92.493 -11.160   4.083
  211   2HG   LYS  28          3HG       LYS  28  91.879  -9.941   2.964
  212   1HD   LYS  28          2HD       LYS  28  94.124 -10.650   1.643
  213   2HD   LYS  28          3HD       LYS  28  93.791 -12.169   2.476
  214   1HE   LYS  28          2HE       LYS  28  91.442 -12.070   1.611
  215   2HE   LYS  28          3HE       LYS  28  91.888 -10.642   0.676
  216   1HZ   LYS  28           HZ3      LYS  28  93.740 -12.112  -0.244
  217   2HZ   LYS  28           HZ2      LYS  28  92.849 -13.421   0.376
  218   3HZ   LYS  28           HZ1      LYS  28  92.163 -12.400  -0.798
  219    H    ARG  29           HN       ARG  29  96.994  -9.548   2.796
  220    HA   ARG  29           HA       ARG  29  98.644  -8.246   4.768
  221   1HB   ARG  29          2HB       ARG  29  98.680  -8.145   1.738
  222   2HB   ARG  29          3HB       ARG  29  99.954  -7.499   2.775
  223   1HG   ARG  29          2HG       ARG  29 100.294  -9.745   3.748
  224   2HG   ARG  29          3HG       ARG  29  99.035 -10.389   2.691
  225   1HD   ARG  29          2HD       ARG  29 101.514  -8.974   1.686
  226   2HD   ARG  29          3HD       ARG  29 101.373 -10.729   1.824
  227    HE   ARG  29           HE       ARG  29  99.171 -10.054   0.321
  228   1HH1  ARG  29          HH21      ARG  29 102.542  -9.349   0.206
  229   2HH1  ARG  29          HH22      ARG  29 102.601  -9.248  -1.522
  230   1HH2  ARG  29          HH11      ARG  29  99.227  -9.926  -1.943
  231   2HH2  ARG  29          HH12      ARG  29 100.725  -9.575  -2.738
  232    H    ASP  30           HN       ASP  30  99.156  -5.937   4.832
  233    HA   ASP  30           HA       ASP  30  96.878  -4.242   4.878
  234   1HB   ASP  30          2HB       ASP  30  98.955  -3.722   6.116
  235   2HB   ASP  30          3HB       ASP  30  99.799  -3.450   4.589
  236    H    GLY  31           HN       GLY  31  96.034  -2.803   3.372
  237   1HA   GLY  31          2HA       GLY  31  96.274  -1.508   1.274
  238   2HA   GLY  31          3HA       GLY  31  97.321  -2.797   0.668
  239    H    THR  32           HN       THR  32  95.497  -4.887   1.811
  240    HA   THR  32           HA       THR  32  93.699  -5.032  -0.493
  241    HB   THR  32           HB       THR  32  93.911  -6.851   1.930
  242    HG1  THR  32           HG1      THR  32  95.695  -7.445   1.019
  243   1HG2  THR  32          HG21      THR  32  92.269  -6.820  -0.526
  244   2HG2  THR  32          HG23      THR  32  93.045  -8.366  -0.179
  245   3HG2  THR  32          HG22      THR  32  91.975  -7.628   1.013
  246    H    PHE  33           HN       PHE  33  91.704  -4.079  -0.479
  247    HA   PHE  33           HA       PHE  33  90.274  -3.989   2.127
  248   1HB   PHE  33          2HB       PHE  33  90.167  -1.732   2.222
  249   2HB   PHE  33          3HB       PHE  33  91.555  -1.775   1.140
  250    HD1  PHE  33           HD1      PHE  33  91.241  -1.456  -1.316
  251    HD2  PHE  33           HD2      PHE  33  87.984  -1.145   1.461
  252    HE1  PHE  33           HE1      PHE  33  89.845  -0.357  -3.057
  253    HE2  PHE  33           HE2      PHE  33  86.611  -0.051  -0.285
  254    HZ   PHE  33           HZ       PHE  33  87.534   0.333  -2.526
  255    H    LEU  34           HN       LEU  34  87.941  -3.059   1.692
  256    HA   LEU  34           HA       LEU  34  86.899  -3.790  -0.972
  257   1HB   LEU  34          2HB       LEU  34  85.242  -5.372  -0.057
  258   2HB   LEU  34          3HB       LEU  34  86.888  -5.933   0.226
  259    HG   LEU  34           HG       LEU  34  85.630  -4.245   2.341
  260   1HD1  LEU  34          HD12      LEU  34  84.920  -7.140   1.779
  261   2HD1  LEU  34          HD11      LEU  34  84.641  -6.349   3.331
  262   3HD1  LEU  34          HD13      LEU  34  83.809  -5.773   1.885
  263   1HD2  LEU  34          HD22      LEU  34  87.515  -6.611   2.207
  264   2HD2  LEU  34          HD21      LEU  34  87.889  -4.959   2.702
  265   3HD2  LEU  34          HD23      LEU  34  86.884  -5.979   3.726
  266    H    VAL  35           HN       VAL  35  84.571  -3.186  -1.193
  267    HA   VAL  35           HA       VAL  35  83.902  -0.923   0.640
  268    HB   VAL  35           HB       VAL  35  83.154  -1.461  -2.256
  269   1HG1  VAL  35          HG12      VAL  35  81.878   0.288  -0.180
  270   2HG1  VAL  35          HG11      VAL  35  82.028   0.915  -1.823
  271   3HG1  VAL  35          HG13      VAL  35  81.133  -0.578  -1.524
  272   1HG2  VAL  35          HG23      VAL  35  84.648   0.717  -0.775
  273   2HG2  VAL  35          HG22      VAL  35  85.287  -0.363  -2.010
  274   3HG2  VAL  35          HG21      VAL  35  84.122   0.889  -2.443
  275    H    ARG  36           HN       ARG  36  81.916  -0.933   1.683
  276    HA   ARG  36           HA       ARG  36  79.850  -2.871   0.950
  277   1HB   ARG  36          2HB       ARG  36  79.963  -3.722   3.474
  278   2HB   ARG  36          3HB       ARG  36  80.902  -4.503   2.207
  279   1HG   ARG  36          2HG       ARG  36  82.626  -4.174   3.674
  280   2HG   ARG  36          3HG       ARG  36  82.662  -2.567   2.963
  281   1HD   ARG  36          2HD       ARG  36  80.924  -1.942   4.765
  282   2HD   ARG  36          3HD       ARG  36  81.415  -3.436   5.563
  283    HE   ARG  36           HE       ARG  36  83.805  -2.118   5.016
  284   1HH1  ARG  36          HH21      ARG  36  80.839  -1.414   6.624
  285   2HH1  ARG  36          HH22      ARG  36  81.557  -0.313   7.751
  286   1HH2  ARG  36          HH11      ARG  36  84.761  -0.685   6.471
  287   2HH2  ARG  36          HH12      ARG  36  83.781   0.100   7.664
  288    H    GLU  37           HN       GLU  37  78.491  -2.777   3.522
  289    HA   GLU  37           HA       GLU  37  77.777   0.113   3.449
  290   1HB   GLU  37          2HB       GLU  37  76.303  -2.243   4.674
  291   2HB   GLU  37          3HB       GLU  37  75.690  -0.594   4.541
  292   1HG   GLU  37          2HG       GLU  37  75.998  -0.783   2.037
  293   2HG   GLU  37          3HG       GLU  37  76.348  -2.494   2.282
  294    H    SER  38           HN       SER  38  76.994   0.895   5.739
  295    HA   SER  38           HA       SER  38  79.274   0.573   7.541
  296   1HB   SER  38          2HB       SER  38  76.658   2.089   7.714
  297   2HB   SER  38          3HB       SER  38  77.823   2.064   9.037
  298    HG   SER  38           HG       SER  38  77.917   3.317   6.572
  299    H    SER  39           HN       SER  39  77.126  -1.444   6.682
  300    HA   SER  39           HA       SER  39  76.535  -3.499   7.608
  301   1HB   SER  39          2HB       SER  39  78.272  -2.975   9.432
  302   2HB   SER  39          3HB       SER  39  76.929  -2.338  10.376
  303    HG   SER  39           HG       SER  39  77.668  -4.853  10.087
  304    H    LYS  40           HN       LYS  40  75.308  -2.444  10.567
  305    HA   LYS  40           HA       LYS  40  72.584  -2.512   9.474
  306   1HB   LYS  40          2HB       LYS  40  71.894  -2.574  11.823
  307   2HB   LYS  40          3HB       LYS  40  73.190  -3.738  11.548
  308   1HG   LYS  40          2HG       LYS  40  74.840  -2.089  12.386
  309   2HG   LYS  40          3HG       LYS  40  73.529  -0.953  12.706
  310   1HD   LYS  40          2HD       LYS  40  73.224  -3.677  13.862
  311   2HD   LYS  40          3HD       LYS  40  74.472  -2.654  14.578
  312   1HE   LYS  40          2HE       LYS  40  72.818  -0.865  14.925
  313   2HE   LYS  40          3HE       LYS  40  71.567  -1.869  14.192
  314   1HZ   LYS  40           HZ2      LYS  40  72.622  -3.492  16.081
  315   2HZ   LYS  40           HZ1      LYS  40  72.684  -1.974  16.839
  316   3HZ   LYS  40           HZ3      LYS  40  71.206  -2.573  16.263
  317    H    GLN  41           HN       GLN  41  74.865  -0.067  10.125
  318    HA   GLN  41           HA       GLN  41  73.031   1.978  11.055
  319   1HB   GLN  41          2HB       GLN  41  75.485   2.153  11.370
  320   2HB   GLN  41          3HB       GLN  41  75.679   2.330   9.627
  321   1HG   GLN  41          2HG       GLN  41  75.654   4.552  10.587
  322   2HG   GLN  41          3HG       GLN  41  74.124   4.315   9.738
  323   1HE2  GLN  41          HE22      GLN  41  72.684   5.467  12.795
  324   2HE2  GLN  41          HE21      GLN  41  73.090   5.911  11.208
  325    H    GLY  42           HN       GLY  42  74.130   0.919   7.859
  326   1HA   GLY  42          2HA       GLY  42  72.673   1.155   5.915
  327   2HA   GLY  42          3HA       GLY  42  71.947   2.569   6.680
  328    H    CYS  43           HN       CYS  43  74.941   3.264   7.385
  329    HA   CYS  43           HA       CYS  43  75.286   5.004   5.061
  330   1HB   CYS  43          2HB       CYS  43  77.004   4.581   7.524
  331   2HB   CYS  43          3HB       CYS  43  77.289   5.822   6.305
  332    HG   CYS  43           HG       CYS  43  74.901   6.825   6.944
  333    H    TYR  44           HN       TYR  44  77.350   5.038   3.805
  334    HA   TYR  44           HA       TYR  44  78.128   2.285   3.104
  335   1HB   TYR  44          2HB       TYR  44  78.903   4.974   1.928
  336   2HB   TYR  44          3HB       TYR  44  79.417   3.417   1.278
  337    HD1  TYR  44           HD2      TYR  44  76.519   5.650   1.854
  338    HD2  TYR  44           HD1      TYR  44  77.867   1.966   0.096
  339    HE1  TYR  44           HE2      TYR  44  74.390   5.469   0.597
  340    HE2  TYR  44           HE1      TYR  44  75.734   1.791  -1.164
  341    HH   TYR  44           HH       TYR  44  73.287   2.727  -0.778
  342    H    ALA  45           HN       ALA  45  80.392   1.579   3.089
  343    HA   ALA  45           HA       ALA  45  82.369   3.240   4.486
  344   1HB   ALA  45           HB3      ALA  45  81.016   0.874   5.769
  345   2HB   ALA  45           HB2      ALA  45  82.666   1.302   6.209
  346   3HB   ALA  45           HB1      ALA  45  81.357   2.455   6.468
  347    H    CYS  46           HN       CYS  46  84.499   2.347   4.316
  348    HA   CYS  46           HA       CYS  46  84.683   0.006   2.461
  349   1HB   CYS  46          2HB       CYS  46  86.639   2.305   2.825
  350   2HB   CYS  46          3HB       CYS  46  86.856   0.942   1.724
  351    HG   CYS  46           HG       CYS  46  85.759   2.928   0.385
  352    H    SER  47           HN       SER  47  85.563  -1.780   3.398
  353    HA   SER  47           HA       SER  47  86.902  -1.443   6.019
  354   1HB   SER  47          2HB       SER  47  85.123  -3.156   5.839
  355   2HB   SER  47          3HB       SER  47  86.037  -3.964   4.570
  356    HG   SER  47           HG       SER  47  87.600  -3.500   6.712
  357    H    VAL  48           HN       VAL  48  89.077  -1.658   6.237
  358    HA   VAL  48           HA       VAL  48  90.542  -2.945   3.991
  359    HB   VAL  48           HB       VAL  48  90.564  -0.419   3.846
  360   1HG1  VAL  48          HG11      VAL  48  90.845  -0.407   6.487
  361   2HG1  VAL  48          HG13      VAL  48  92.556  -0.419   6.057
  362   3HG1  VAL  48          HG12      VAL  48  91.512   0.883   5.486
  363   1HG2  VAL  48          HG23      VAL  48  92.499  -2.239   3.258
  364   2HG2  VAL  48          HG22      VAL  48  92.632  -0.520   2.888
  365   3HG2  VAL  48          HG21      VAL  48  93.379  -1.167   4.347
  366    H    VAL  49           HN       VAL  49  92.841  -3.361   4.614
  367    HA   VAL  49           HA       VAL  49  93.016  -4.164   7.493
  368    HB   VAL  49           HB       VAL  49  94.202  -5.439   5.026
  369   1HG1  VAL  49          HG11      VAL  49  95.003  -5.544   7.849
  370   2HG1  VAL  49          HG13      VAL  49  94.720  -7.129   7.133
  371   3HG1  VAL  49          HG12      VAL  49  95.896  -6.033   6.406
  372   1HG2  VAL  49          HG22      VAL  49  91.736  -5.778   6.204
  373   2HG2  VAL  49          HG21      VAL  49  92.539  -6.972   5.188
  374   3HG2  VAL  49          HG23      VAL  49  92.687  -7.061   6.944
  375    H    VAL  50           HN       VAL  50  94.779  -3.359   8.621
  376    HA   VAL  50           HA       VAL  50  96.751  -1.835   6.983
  377    HB   VAL  50           HB       VAL  50  95.208  -1.096   9.303
  378   1HG1  VAL  50          HG12      VAL  50  97.150  -1.903  10.609
  379   2HG1  VAL  50          HG11      VAL  50  98.216  -0.882   9.643
  380   3HG1  VAL  50          HG13      VAL  50  97.005  -0.148  10.694
  381   1HG2  VAL  50          HG22      VAL  50  95.730   0.203   7.198
  382   2HG2  VAL  50          HG21      VAL  50  95.935   1.110   8.695
  383   3HG2  VAL  50          HG23      VAL  50  97.347   0.472   7.847
  384    H    ASP  51           HN       ASP  51  98.938  -1.764   7.860
  385    HA   ASP  51           HA       ASP  51 100.011  -4.349   8.359
  386   1HB   ASP  51          2HB       ASP  51 101.113  -1.549   8.645
  387   2HB   ASP  51          3HB       ASP  51 102.098  -2.980   8.964
  388    H    GLY  52           HN       GLY  52  98.144  -4.347  10.296
  389   1HA   GLY  52          2HA       GLY  52  99.441  -4.996  12.652
  390   2HA   GLY  52          3HA       GLY  52  99.141  -3.267  12.804
  391    H    GLU  53           HN       GLU  53  96.552  -3.275  11.408
  392    HA   GLU  53           HA       GLU  53  94.905  -5.164  12.970
  393   1HB   GLU  53          2HB       GLU  53  94.836  -2.177  13.460
  394   2HB   GLU  53          3HB       GLU  53  93.563  -3.278  13.982
  395   1HG   GLU  53          2HG       GLU  53  94.908  -3.192  15.885
  396   2HG   GLU  53          3HG       GLU  53  95.546  -4.617  15.066
  397    H    VAL  54           HN       VAL  54  92.596  -5.016  12.412
  398    HA   VAL  54           HA       VAL  54  92.241  -4.218   9.580
  399    HB   VAL  54           HB       VAL  54  90.453  -5.770  11.483
  400   1HG1  VAL  54          HG12      VAL  54  90.194  -5.186   8.518
  401   2HG1  VAL  54          HG11      VAL  54  89.166  -6.299   9.422
  402   3HG1  VAL  54          HG13      VAL  54  89.142  -4.576   9.793
  403   1HG2  VAL  54          HG22      VAL  54  92.614  -6.858  10.709
  404   2HG2  VAL  54          HG21      VAL  54  91.146  -7.718  10.244
  405   3HG2  VAL  54          HG23      VAL  54  92.001  -6.732   9.058
  406    H    LYS  55           HN       LYS  55  90.858  -2.533   8.965
  407    HA   LYS  55           HA       LYS  55  89.459  -1.121  11.207
  408   1HB   LYS  55          2HB       LYS  55  90.941   0.050   8.844
  409   2HB   LYS  55          3HB       LYS  55  89.894   0.992   9.906
  410   1HG   LYS  55          2HG       LYS  55  91.838   1.309  11.069
  411   2HG   LYS  55          3HG       LYS  55  91.418  -0.262  11.755
  412   1HD   LYS  55          2HD       LYS  55  92.783  -1.386  10.041
  413   2HD   LYS  55          3HD       LYS  55  93.201   0.183   9.346
  414   1HE   LYS  55          2HE       LYS  55  94.553  -1.152  11.429
  415   2HE   LYS  55          3HE       LYS  55  94.824   0.503  10.882
  416   1HZ   LYS  55           HZ3      LYS  55  92.797  -0.307  12.896
  417   2HZ   LYS  55           HZ2      LYS  55  94.313   0.365  13.262
  418   3HZ   LYS  55           HZ1      LYS  55  93.159   1.279  12.413
  419    H    HIS  56           HN       HIS  56  87.698   0.360  10.376
  420    HA   HIS  56           HA       HIS  56  86.331  -0.774   7.977
  421   1HB   HIS  56          2HB       HIS  56  85.081  -0.083  10.653
  422   2HB   HIS  56          3HB       HIS  56  84.169  -0.501   9.202
  423    HD1  HIS  56           HD1      HIS  56  85.597  -2.873   8.098
  424    HD2  HIS  56           HD2      HIS  56  85.057  -2.364  12.200
  425    HE1  HIS  56           HE1      HIS  56  85.805  -5.173   9.137
  426    H    CYS  57           HN       CYS  57  87.454   1.222   7.082
  427    HA   CYS  57           HA       CYS  57  86.958   3.854   7.888
  428   1HB   CYS  57          2HB       CYS  57  87.133   2.772   5.062
  429   2HB   CYS  57          3HB       CYS  57  87.279   4.474   5.505
  430    HG   CYS  57           HG       CYS  57  89.691   3.478   5.438
  431    H    VAL  58           HN       VAL  58  85.317   5.368   7.423
  432    HA   VAL  58           HA       VAL  58  82.747   4.107   6.594
  433    HB   VAL  58           HB       VAL  58  83.420   6.184   8.650
  434   1HG1  VAL  58          HG12      VAL  58  80.750   5.723   7.289
  435   2HG1  VAL  58          HG11      VAL  58  80.927   6.566   8.827
  436   3HG1  VAL  58          HG13      VAL  58  81.658   7.235   7.368
  437   1HG2  VAL  58          HG22      VAL  58  82.976   3.509   8.812
  438   2HG2  VAL  58          HG21      VAL  58  82.612   4.632  10.121
  439   3HG2  VAL  58          HG23      VAL  58  81.332   4.111   9.025
  440    H    ILE  59           HN       ILE  59  81.604   4.990   4.971
  441    HA   ILE  59           HA       ILE  59  82.506   7.623   3.885
  442    HB   ILE  59           HB       ILE  59  81.317   5.244   2.417
  443   1HG1  ILE  59          HG12      ILE  59  84.063   6.539   2.297
  444   2HG1  ILE  59          HG11      ILE  59  83.695   4.982   3.040
  445   1HG2  ILE  59          HG22      ILE  59  81.081   7.951   1.792
  446   2HG2  ILE  59          HG21      ILE  59  82.451   7.415   0.819
  447   3HG2  ILE  59          HG23      ILE  59  80.889   6.610   0.666
  448   1HD1  ILE  59          HD13      ILE  59  83.106   5.587   0.135
  449   2HD1  ILE  59          HD12      ILE  59  84.619   4.863   0.674
  450   3HD1  ILE  59          HD11      ILE  59  83.095   4.014   0.932
  451    H    ASN  60           HN       ASN  60  80.840   9.155   3.567
  452    HA   ASN  60           HA       ASN  60  78.080   8.159   4.173
  453   1HB   ASN  60          2HB       ASN  60  79.394  10.705   5.161
  454   2HB   ASN  60          3HB       ASN  60  77.668  10.372   5.298
  455   1HD2  ASN  60          HD22      ASN  60  78.912   7.284   7.294
  456   2HD2  ASN  60          HD21      ASN  60  78.476   7.370   5.656
  457    H    LYS  61           HN       LYS  61  76.564   8.748   2.701
  458    HA   LYS  61           HA       LYS  61  77.437  10.548   0.509
  459   1HB   LYS  61          2HB       LYS  61  75.113   8.625   0.765
  460   2HB   LYS  61          3HB       LYS  61  75.387   9.658  -0.637
  461   1HG   LYS  61          2HG       LYS  61  77.675   8.648  -0.860
  462   2HG   LYS  61          3HG       LYS  61  77.252   7.524   0.430
  463   1HD   LYS  61          2HD       LYS  61  76.771   6.327  -1.555
  464   2HD   LYS  61          3HD       LYS  61  75.199   6.924  -1.021
  465   1HE   LYS  61          2HE       LYS  61  75.297   8.766  -2.599
  466   2HE   LYS  61          3HE       LYS  61  76.956   8.355  -3.038
  467   1HZ   LYS  61           HZ2      LYS  61  75.879   6.065  -3.586
  468   2HZ   LYS  61           HZ1      LYS  61  74.451   6.980  -3.713
  469   3HZ   LYS  61           HZ3      LYS  61  75.782   7.343  -4.701
  470    H    THR  62           HN       THR  62  76.805  12.619   0.553
  471    HA   THR  62           HA       THR  62  74.066  13.310   1.353
  472    HB   THR  62           HB       THR  62  75.574  13.365   3.446
  473    HG1  THR  62           HG1      THR  62  73.541  14.440   3.186
  474   1HG2  THR  62          HG22      THR  62  77.225  14.855   1.805
  475   2HG2  THR  62          HG21      THR  62  76.424  16.078   2.793
  476   3HG2  THR  62          HG23      THR  62  77.325  14.774   3.562
  477    H    ALA  63           HN       ALA  63  73.874  15.847   1.102
  478    HA   ALA  63           HA       ALA  63  74.475  16.516  -1.575
  479   1HB   ALA  63           HB1      ALA  63  72.860  17.670   0.109
  480   2HB   ALA  63           HB3      ALA  63  74.273  18.606   0.594
  481   3HB   ALA  63           HB2      ALA  63  73.689  18.689  -1.068
  482    H    THR  64           HN       THR  64  76.503  16.522   1.226
  483    HA   THR  64           HA       THR  64  78.796  17.296  -0.389
  484    HB   THR  64           HB       THR  64  77.696  19.485   0.244
  485    HG1  THR  64           HG1      THR  64  80.143  19.385   1.566
  486   1HG2  THR  64          HG23      THR  64  77.355  18.325   2.684
  487   2HG2  THR  64          HG22      THR  64  78.802  19.291   2.974
  488   3HG2  THR  64          HG21      THR  64  77.322  20.066   2.407
  489    H    GLY  65           HN       GLY  65  79.244  15.070   0.473
  490   1HA   GLY  65          2HA       GLY  65  80.859  15.275   2.902
  491   2HA   GLY  65          3HA       GLY  65  79.434  14.260   3.102
  492    H    TYR  66           HN       TYR  66  79.203  12.499   1.366
  493    HA   TYR  66           HA       TYR  66  80.101  10.561   0.392
  494   1HB   TYR  66          2HB       TYR  66  82.252  12.565  -0.320
  495   2HB   TYR  66          3HB       TYR  66  82.254  10.901  -0.898
  496    HD1  TYR  66           HD1      TYR  66  80.343  10.069  -2.299
  497    HD2  TYR  66           HD2      TYR  66  80.819  14.215  -1.283
  498    HE1  TYR  66           HE1      TYR  66  78.791  10.694  -4.127
  499    HE2  TYR  66           HE2      TYR  66  79.271  14.842  -3.118
  500    HH   TYR  66           HH       TYR  66  78.547  13.078  -5.592
  501    H    GLY  67           HN       GLY  67  81.499  12.111   2.997
  502   1HA   GLY  67          2HA       GLY  67  82.367  10.269   4.628
  503   2HA   GLY  67          3HA       GLY  67  83.566   9.990   3.361
  504    H    PHE  68           HN       PHE  68  85.284  11.420   3.145
  505    HA   PHE  68           HA       PHE  68  85.780  13.207   5.412
  506   1HB   PHE  68          2HB       PHE  68  87.394  12.857   2.867
  507   2HB   PHE  68          3HB       PHE  68  87.957  13.568   4.374
  508    HD1  PHE  68           HD1      PHE  68  87.173  11.819   6.479
  509    HD2  PHE  68           HD2      PHE  68  88.351  10.804   2.476
  510    HE1  PHE  68           HE1      PHE  68  87.870   9.568   7.253
  511    HE2  PHE  68           HE2      PHE  68  89.045   8.553   3.248
  512    HZ   PHE  68           HZ       PHE  68  88.809   7.935   5.637
  513    H    ALA  69           HN       ALA  69  85.385  15.426   5.379
  514    HA   ALA  69           HA       ALA  69  84.876  16.671   2.697
  515   1HB   ALA  69           HB1      ALA  69  82.773  16.249   4.070
  516   2HB   ALA  69           HB3      ALA  69  83.402  17.407   5.243
  517   3HB   ALA  69           HB2      ALA  69  83.036  17.927   3.598
  518    H    GLU  70           HN       GLU  70  86.545  16.808   5.699
  519    HA   GLU  70           HA       GLU  70  86.921  19.642   5.888
  520   1HB   GLU  70          2HB       GLU  70  87.477  18.033   7.727
  521   2HB   GLU  70          3HB       GLU  70  88.865  17.492   6.789
  522   1HG   GLU  70          2HG       GLU  70  89.623  19.159   8.371
  523   2HG   GLU  70          3HG       GLU  70  89.697  19.851   6.751
  524    HA   PRO  71           HA       PRO  71  90.635  18.982   3.006
  525   1HB   PRO  71          2HB       PRO  71  90.953  16.600   1.753
  526   2HB   PRO  71          3HB       PRO  71  91.525  16.875   3.409
  527   1HG   PRO  71          2HG       PRO  71  89.238  15.300   2.450
  528   2HG   PRO  71          3HG       PRO  71  90.160  15.160   3.954
  529   1HD   PRO  71          2HD       PRO  71  87.610  16.430   3.575
  530   2HD   PRO  71          3HD       PRO  71  88.559  16.328   5.068
  531    H    TYR  72           HN       TYR  72  88.267  16.715   1.630
  532    HA   TYR  72           HA       TYR  72  87.836  18.621  -0.635
  533   1HB   TYR  72          2HB       TYR  72  87.833  15.582  -0.689
  534   2HB   TYR  72          3HB       TYR  72  87.404  16.618  -2.050
  535    HD1  TYR  72           HD2      TYR  72  89.212  18.487  -2.632
  536    HD2  TYR  72           HD1      TYR  72  90.033  14.843  -0.510
  537    HE1  TYR  72           HE2      TYR  72  91.606  18.660  -3.260
  538    HE2  TYR  72           HE1      TYR  72  92.425  15.014  -1.140
  539    HH   TYR  72           HH       TYR  72  93.554  16.985  -3.548
  540    H    ASN  73           HN       ASN  73  85.871  19.502  -0.070
  541    HA   ASN  73           HA       ASN  73  83.808  17.797   1.184
  542   1HB   ASN  73          2HB       ASN  73  82.616  19.839   1.581
  543   2HB   ASN  73          3HB       ASN  73  84.315  20.179   1.912
  544   1HD2  ASN  73          HD22      ASN  73  83.463  22.981  -0.229
  545   2HD2  ASN  73          HD21      ASN  73  83.378  22.495   1.395
  546    H    LEU  74           HN       LEU  74  84.713  17.603  -1.726
  547    HA   LEU  74           HA       LEU  74  82.006  17.335  -2.828
  548   1HB   LEU  74          2HB       LEU  74  82.435  19.701  -3.284
  549   2HB   LEU  74          3HB       LEU  74  83.972  19.299  -4.047
  550    HG   LEU  74           HG       LEU  74  82.709  17.895  -5.706
  551   1HD1  LEU  74          HD12      LEU  74  80.443  18.939  -4.047
  552   2HD1  LEU  74          HD11      LEU  74  80.183  18.709  -5.778
  553   3HD1  LEU  74          HD13      LEU  74  80.659  17.343  -4.770
  554   1HD2  LEU  74          HD21      LEU  74  83.333  20.405  -5.976
  555   2HD2  LEU  74          HD23      LEU  74  82.139  19.728  -7.085
  556   3HD2  LEU  74          HD22      LEU  74  81.615  20.709  -5.718
  557    H    TYR  75           HN       TYR  75  82.331  15.210  -3.398
  558    HA   TYR  75           HA       TYR  75  84.804  14.455  -4.860
  559   1HB   TYR  75          2HB       TYR  75  82.527  12.783  -3.750
  560   2HB   TYR  75          3HB       TYR  75  83.959  12.128  -4.548
  561    HD1  TYR  75           HD2      TYR  75  82.953  14.400  -1.749
  562    HD2  TYR  75           HD1      TYR  75  85.887  11.670  -3.287
  563    HE1  TYR  75           HE2      TYR  75  84.208  14.551   0.383
  564    HE2  TYR  75           HE1      TYR  75  87.139  11.828  -1.155
  565    HH   TYR  75           HH       TYR  75  87.260  13.780   0.770
  566    H    SER  76           HN       SER  76  84.774  13.823  -7.027
  567    HA   SER  76           HA       SER  76  82.630  14.760  -8.683
  568   1HB   SER  76          2HB       SER  76  83.860  13.671 -10.521
  569   2HB   SER  76          3HB       SER  76  84.952  14.579  -9.478
  570    HG   SER  76           HG       SER  76  85.783  12.750  -8.739
  571    H    SER  77           HN       SER  77  83.539  11.441  -7.687
  572    HA   SER  77           HA       SER  77  80.776  10.578  -7.852
  573   1HB   SER  77          2HB       SER  77  81.040   8.959  -9.678
  574   2HB   SER  77          3HB       SER  77  81.338  10.593 -10.262
  575    HG   SER  77           HG       SER  77  83.637  10.038  -9.699
  576    H    LEU  78           HN       LEU  78  80.595   8.229  -7.258
  577    HA   LEU  78           HA       LEU  78  82.399   7.575  -5.134
  578   1HB   LEU  78          2HB       LEU  78  80.336   5.923  -6.605
  579   2HB   LEU  78          3HB       LEU  78  81.228   5.331  -5.203
  580    HG   LEU  78           HG       LEU  78  79.627   7.902  -5.185
  581   1HD1  LEU  78          HD12      LEU  78  78.856   5.090  -4.351
  582   2HD1  LEU  78          HD11      LEU  78  77.972   6.533  -3.857
  583   3HD1  LEU  78          HD13      LEU  78  78.065   6.096  -5.563
  584   1HD2  LEU  78          HD22      LEU  78  81.390   6.482  -3.317
  585   2HD2  LEU  78          HD21      LEU  78  80.818   8.149  -3.270
  586   3HD2  LEU  78          HD23      LEU  78  79.812   6.852  -2.623
  587    H    LYS  79           HN       LYS  79  82.230   6.477  -8.519
  588    HA   LYS  79           HA       LYS  79  84.133   4.366  -8.336
  589   1HB   LYS  79          2HB       LYS  79  82.734   4.821 -10.340
  590   2HB   LYS  79          3HB       LYS  79  83.679   6.276 -10.654
  591   1HG   LYS  79          2HG       LYS  79  85.705   4.934 -10.948
  592   2HG   LYS  79          3HG       LYS  79  84.819   3.465 -10.536
  593   1HD   LYS  79          2HD       LYS  79  84.189   5.269 -12.894
  594   2HD   LYS  79          3HD       LYS  79  85.064   3.741 -12.998
  595   1HE   LYS  79          2HE       LYS  79  82.909   3.020 -13.462
  596   2HE   LYS  79          3HE       LYS  79  82.942   2.817 -11.710
  597   1HZ   LYS  79           HZ2      LYS  79  82.221   5.391 -11.974
  598   2HZ   LYS  79           HZ1      LYS  79  81.453   4.688 -13.316
  599   3HZ   LYS  79           HZ3      LYS  79  81.133   4.102 -11.758
  600    H    GLU  80           HN       GLU  80  84.597   7.841  -8.981
  601    HA   GLU  80           HA       GLU  80  87.462   7.680  -9.209
  602   1HB   GLU  80          2HB       GLU  80  85.656  10.002  -8.468
  603   2HB   GLU  80          3HB       GLU  80  87.378  10.149  -8.830
  604   1HG   GLU  80          2HG       GLU  80  86.950   9.111 -11.062
  605   2HG   GLU  80          3HG       GLU  80  85.224   9.118 -10.699
  606    H    LEU  81           HN       LEU  81  85.248   7.933  -6.510
  607    HA   LEU  81           HA       LEU  81  87.028   8.859  -4.510
  608   1HB   LEU  81          2HB       LEU  81  84.571   8.595  -4.228
  609   2HB   LEU  81          3HB       LEU  81  84.780   6.847  -4.205
  610    HG   LEU  81           HG       LEU  81  86.358   8.569  -2.308
  611   1HD1  LEU  81          HD12      LEU  81  83.431   8.013  -2.258
  612   2HD1  LEU  81          HD11      LEU  81  84.302   7.831  -0.734
  613   3HD1  LEU  81          HD13      LEU  81  84.331   9.375  -1.587
  614   1HD2  LEU  81          HD22      LEU  81  85.514   5.703  -2.539
  615   2HD2  LEU  81          HD21      LEU  81  87.073   6.380  -2.071
  616   3HD2  LEU  81          HD23      LEU  81  85.734   6.376  -0.926
  617    H    VAL  82           HN       VAL  82  86.411   5.502  -5.632
  618    HA   VAL  82           HA       VAL  82  88.191   4.296  -3.724
  619    HB   VAL  82           HB       VAL  82  87.413   3.291  -6.478
  620   1HG1  VAL  82          HG11      VAL  82  88.500   1.865  -4.034
  621   2HG1  VAL  82          HG13      VAL  82  87.972   1.079  -5.523
  622   3HG1  VAL  82          HG12      VAL  82  89.375   2.148  -5.539
  623   1HG2  VAL  82          HG21      VAL  82  85.949   3.586  -3.978
  624   2HG2  VAL  82          HG23      VAL  82  85.353   3.103  -5.566
  625   3HG2  VAL  82          HG22      VAL  82  86.035   1.898  -4.476
  626    H    LEU  83           HN       LEU  83  88.693   5.388  -7.095
  627    HA   LEU  83           HA       LEU  83  91.457   4.581  -7.216
  628   1HB   LEU  83          2HB       LEU  83  89.815   6.592  -8.770
  629   2HB   LEU  83          3HB       LEU  83  91.534   6.378  -9.075
  630    HG   LEU  83           HG       LEU  83  90.327   5.007 -10.649
  631   1HD1  LEU  83          HD11      LEU  83  92.348   4.073  -9.230
  632   2HD1  LEU  83          HD13      LEU  83  91.126   2.964  -8.613
  633   3HD1  LEU  83          HD12      LEU  83  91.473   3.021 -10.341
  634   1HD2  LEU  83          HD21      LEU  83  88.942   3.795  -8.237
  635   2HD2  LEU  83          HD23      LEU  83  88.197   4.861  -9.425
  636   3HD2  LEU  83          HD22      LEU  83  88.749   3.257  -9.904
  637    H    HIS  84           HN       HIS  84  89.871   7.636  -6.373
  638    HA   HIS  84           HA       HIS  84  92.197   9.232  -6.067
  639   1HB   HIS  84          2HB       HIS  84  89.804  10.027  -6.080
  640   2HB   HIS  84          3HB       HIS  84  89.652   9.419  -4.431
  641    HD1  HIS  84           HD1      HIS  84  91.516  12.010  -6.464
  642    HD2  HIS  84           HD2      HIS  84  90.815  11.052  -2.468
  643    HE1  HIS  84           HE1      HIS  84  92.434  13.933  -5.094
  644    H    TYR  85           HN       TYR  85  90.557   7.107  -3.749
  645    HA   TYR  85           HA       TYR  85  92.165   7.876  -1.490
  646   1HB   TYR  85          2HB       TYR  85  90.309   5.592  -2.090
  647   2HB   TYR  85          3HB       TYR  85  91.254   5.603  -0.603
  648    HD1  TYR  85           HD2      TYR  85  90.294   8.822  -2.054
  649    HD2  TYR  85           HD1      TYR  85  89.124   5.734   0.693
  650    HE1  TYR  85           HE2      TYR  85  88.676  10.359  -1.013
  651    HE2  TYR  85           HE1      TYR  85  87.493   7.282   1.735
  652    HH   TYR  85           HH       TYR  85  86.529  10.165   0.308
  653    H    GLN  86           HN       GLN  86  92.731   5.509  -4.040
  654    HA   GLN  86           HA       GLN  86  94.541   3.837  -2.605
  655   1HB   GLN  86          2HB       GLN  86  95.226   2.987  -4.684
  656   2HB   GLN  86          3HB       GLN  86  93.588   3.552  -5.010
  657   1HG   GLN  86          2HG       GLN  86  94.676   5.768  -5.714
  658   2HG   GLN  86          3HG       GLN  86  96.199   4.885  -5.718
  659   1HE2  GLN  86          HE22      GLN  86  95.566   3.730  -8.967
  660   2HE2  GLN  86          HE21      GLN  86  96.678   4.357  -7.848
  661    H    HIS  87           HN       HIS  87  95.032   7.023  -4.070
  662    HA   HIS  87           HA       HIS  87  97.943   6.809  -3.559
  663   1HB   HIS  87          2HB       HIS  87  98.204   8.818  -4.782
  664   2HB   HIS  87          3HB       HIS  87  96.921   7.961  -5.635
  665    HD1  HIS  87           HD1      HIS  87  94.476   8.851  -5.323
  666    HD2  HIS  87           HD2      HIS  87  97.390  11.190  -3.477
  667    HE1  HIS  87           HE1      HIS  87  93.365  11.042  -4.720
  668    H    THR  88           HN       THR  88  95.199   7.608  -1.828
  669    HA   THR  88           HA       THR  88  96.546   9.696  -0.210
  670    HB   THR  88           HB       THR  88  94.362   9.986   0.817
  671    HG1  THR  88           HG1      THR  88  93.185   8.293   0.936
  672   1HG2  THR  88          HG22      THR  88  94.571   9.881  -2.153
  673   2HG2  THR  88          HG21      THR  88  92.981  10.176  -1.443
  674   3HG2  THR  88          HG23      THR  88  94.320  11.270  -1.093
  675    H    SER  89           HN       SER  89  97.192   9.304   1.890
  676    HA   SER  89           HA       SER  89  97.137   6.464   2.763
  677   1HB   SER  89          2HB       SER  89  99.320   7.609   2.738
  678   2HB   SER  89          3HB       SER  89  98.688   8.850   3.813
  679    HG   SER  89           HG       SER  89  98.151   6.476   4.872
  680    H    LEU  90           HN       LEU  90  95.729   5.851   4.362
  681    HA   LEU  90           HA       LEU  90  93.925   7.761   5.545
  682   1HB   LEU  90          2HB       LEU  90  94.544   4.889   6.289
  683   2HB   LEU  90          3HB       LEU  90  93.246   5.841   7.010
  684    HG   LEU  90           HG       LEU  90  93.506   5.450   4.028
  685   1HD1  LEU  90          HD13      LEU  90  92.838   3.482   5.981
  686   2HD1  LEU  90          HD12      LEU  90  91.344   3.951   5.172
  687   3HD1  LEU  90          HD11      LEU  90  92.706   3.353   4.226
  688   1HD2  LEU  90          HD23      LEU  90  91.830   7.012   5.762
  689   2HD2  LEU  90          HD22      LEU  90  91.794   6.911   4.001
  690   3HD2  LEU  90          HD21      LEU  90  90.839   5.788   4.968
  691    H    VAL  91           HN       VAL  91  97.106   6.711   6.408
  692    HA   VAL  91           HA       VAL  91  97.809   6.703   8.911
  693    HB   VAL  91           HB       VAL  91  99.356   7.638   7.247
  694   1HG1  VAL  91          HG11      VAL  91  97.478   9.242   6.385
  695   2HG1  VAL  91          HG13      VAL  91  98.100  10.349   7.611
  696   3HG1  VAL  91          HG12      VAL  91  99.156   9.779   6.319
  697   1HG2  VAL  91          HG23      VAL  91  99.851   7.983   9.651
  698   2HG2  VAL  91          HG22      VAL  91 100.475   9.301   8.667
  699   3HG2  VAL  91          HG21      VAL  91  98.995   9.524   9.597
  700    H    GLN  92           HN       GLN  92  96.451   9.828   7.768
  701    HA   GLN  92           HA       GLN  92  96.145  11.276  10.046
  702   1HB   GLN  92          2HB       GLN  92  95.184  11.830   7.768
  703   2HB   GLN  92          3HB       GLN  92  93.799  10.822   8.188
  704   1HG   GLN  92          2HG       GLN  92  93.195  13.070   8.774
  705   2HG   GLN  92          3HG       GLN  92  93.556  12.241  10.289
  706   1HE2  GLN  92          HE22      GLN  92  96.431  14.831   8.873
  707   2HE2  GLN  92          HE21      GLN  92  95.526  13.921   7.763
  708    H    HIS  93           HN       HIS  93  94.513  11.443  11.756
  709    HA   HIS  93           HA       HIS  93  93.254  10.456  13.486
  710   1HB   HIS  93          2HB       HIS  93  91.569  10.367  11.607
  711   2HB   HIS  93          3HB       HIS  93  92.148   8.746  11.227
  712    HD1  HIS  93           HD1      HIS  93  91.574   6.842  12.903
  713    HD2  HIS  93           HD2      HIS  93  90.032  10.556  14.005
  714    HE1  HIS  93           HE1      HIS  93  89.904   6.403  14.757
  715    H    ASN  94           HN       ASN  94  94.603   9.266  14.811
  716    HA   ASN  94           HA       ASN  94  95.900   7.449  15.541
  717   1HB   ASN  94          2HB       ASN  94  93.924   6.037  13.723
  718   2HB   ASN  94          3HB       ASN  94  95.137   5.173  14.667
  719   1HD2  ASN  94          HD22      ASN  94  91.757   6.129  16.490
  720   2HD2  ASN  94          HD21      ASN  94  91.950   5.984  14.810
  721    H    ASP  95           HN       ASP  95  97.503   8.694  14.237
  722    HA   ASP  95           HA       ASP  95  98.373   8.591  11.720
  723   1HB   ASP  95          2HB       ASP  95 100.059   7.995  14.160
  724   2HB   ASP  95          3HB       ASP  95 100.743   8.336  12.571
  725    H    SER  96           HN       SER  96  97.987   5.708  13.623
  726    HA   SER  96           HA       SER  96  99.727   4.105  11.939
  727   1HB   SER  96          2HB       SER  96  98.877   2.199  13.191
  728   2HB   SER  96          3HB       SER  96  99.187   3.514  14.323
  729    HG   SER  96           HG       SER  96  97.137   2.596  14.678
  730    H    LEU  97           HN       LEU  97  97.215   5.646  10.848
  731    HA   LEU  97           HA       LEU  97  95.912   3.284   9.591
  732   1HB   LEU  97          2HB       LEU  97  95.222   6.242   9.387
  733   2HB   LEU  97          3HB       LEU  97  94.318   4.929   8.636
  734    HG   LEU  97           HG       LEU  97  94.721   5.346  11.612
  735   1HD1  LEU  97          HD11      LEU  97  92.977   6.683  10.079
  736   2HD1  LEU  97          HD13      LEU  97  92.051   5.197  10.276
  737   3HD1  LEU  97          HD12      LEU  97  92.543   6.121  11.694
  738   1HD2  LEU  97          HD21      LEU  97  93.758   3.049   9.976
  739   2HD2  LEU  97          HD23      LEU  97  94.556   3.050  11.547
  740   3HD2  LEU  97          HD22      LEU  97  92.838   3.429  11.430
  741    H    ASN  98           HN       ASN  98  98.620   3.721   9.007
  742    HA   ASN  98           HA       ASN  98  98.878   5.273   6.554
  743   1HB   ASN  98          2HB       ASN  98 100.690   3.342   8.007
  744   2HB   ASN  98          3HB       ASN  98 101.157   4.134   6.501
  745   1HD2  ASN  98          HD22      ASN  98 101.230   6.204   9.986
  746   2HD2  ASN  98          HD21      ASN  98 100.751   4.577   9.934
  747    H    VAL  99           HN       VAL  99  97.122   4.196   5.383
  748    HA   VAL  99           HA       VAL  99  98.157   1.974   3.755
  749    HB   VAL  99           HB       VAL  99  97.004   0.777   5.559
  750   1HG1  VAL  99          HG12      VAL  99  94.757   2.669   4.839
  751   2HG1  VAL  99          HG11      VAL  99  94.462   1.157   5.698
  752   3HG1  VAL  99          HG13      VAL  99  95.481   2.399   6.425
  753   1HG2  VAL  99          HG22      VAL  99  96.805   0.020   3.155
  754   2HG2  VAL  99          HG21      VAL  99  95.487  -0.519   4.198
  755   3HG2  VAL  99          HG23      VAL  99  95.242   0.836   3.096
  756    H    THR 100           HN       THR 100  96.851   1.725   1.780
  757    HA   THR 100           HA       THR 100  95.004   4.028   1.310
  758    HB   THR 100           HB       THR 100  95.940   4.400  -0.878
  759    HG1  THR 100           HG1      THR 100  97.029   1.929  -0.405
  760   1HG2  THR 100          HG21      THR 100  97.492   4.634   1.527
  761   2HG2  THR 100          HG23      THR 100  98.572   4.310   0.170
  762   3HG2  THR 100          HG22      THR 100  97.479   5.692   0.117
  763    H    LEU 101           HN       LEU 101  93.413   3.588  -0.422
  764    HA   LEU 101           HA       LEU 101  92.580   0.763  -0.415
  765   1HB   LEU 101          2HB       LEU 101  91.371   3.146  -1.861
  766   2HB   LEU 101          3HB       LEU 101  90.593   1.586  -1.594
  767    HG   LEU 101           HG       LEU 101  91.343   3.663   0.471
  768   1HD1  LEU 101          HD12      LEU 101  89.140   3.828  -0.722
  769   2HD1  LEU 101          HD11      LEU 101  88.733   2.230  -0.097
  770   3HD1  LEU 101          HD13      LEU 101  88.980   3.575   1.016
  771   1HD2  LEU 101          HD21      LEU 101  90.714   0.731   0.781
  772   2HD2  LEU 101          HD23      LEU 101  92.033   1.651   1.505
  773   3HD2  LEU 101          HD22      LEU 101  90.381   1.877   2.075
  774    H    ALA 102           HN       ALA 102  94.815   0.404  -1.573
  775    HA   ALA 102           HA       ALA 102  94.580   0.967  -4.471
  776   1HB   ALA 102           HB1      ALA 102  96.649   1.640  -3.330
  777   2HB   ALA 102           HB3      ALA 102  96.946  -0.039  -2.880
  778   3HB   ALA 102           HB2      ALA 102  96.966   0.437  -4.578
  779    H    TYR 103           HN       TYR 103  94.631  -1.862  -2.304
  780    HA   TYR 103           HA       TYR 103  94.685  -3.526  -4.783
  781   1HB   TYR 103          2HB       TYR 103  96.455  -3.979  -3.112
  782   2HB   TYR 103          3HB       TYR 103  95.211  -4.369  -1.926
  783    HD1  TYR 103           HD2      TYR 103  96.231  -5.264  -5.425
  784    HD2  TYR 103           HD1      TYR 103  94.533  -6.584  -1.716
  785    HE1  TYR 103           HE2      TYR 103  96.126  -7.584  -6.297
  786    HE2  TYR 103           HE1      TYR 103  94.430  -8.899  -2.578
  787    HH   TYR 103           HH       TYR 103  96.046 -10.117  -4.763
  788    HA   PRO 104           HA       PRO 104  90.326  -4.308  -3.938
  789   1HB   PRO 104          2HB       PRO 104  89.897  -6.021  -6.002
  790   2HB   PRO 104          3HB       PRO 104  90.077  -4.271  -6.231
  791   1HG   PRO 104          2HG       PRO 104  92.053  -6.453  -6.658
  792   2HG   PRO 104          3HG       PRO 104  91.735  -5.013  -7.639
  793   1HD   PRO 104          2HD       PRO 104  93.830  -5.207  -5.884
  794   2HD   PRO 104          3HD       PRO 104  93.070  -3.665  -6.330
  795    H    VAL 105           HN       VAL 105  89.131  -5.971  -2.927
  796    HA   VAL 105           HA       VAL 105  90.697  -8.242  -1.934
  797    HB   VAL 105           HB       VAL 105  89.077  -6.897  -0.524
  798   1HG1  VAL 105          HG11      VAL 105  87.125  -8.263  -2.370
  799   2HG1  VAL 105          HG13      VAL 105  86.665  -7.867  -0.723
  800   3HG1  VAL 105          HG12      VAL 105  87.157  -6.587  -1.835
  801   1HG2  VAL 105          HG23      VAL 105  89.080  -9.882  -0.766
  802   2HG2  VAL 105          HG22      VAL 105  89.703  -8.861   0.530
  803   3HG2  VAL 105          HG21      VAL 105  87.967  -9.130   0.377
  804    H    TYR 106           HN       TYR 106  88.089  -7.741  -4.283
  805    HA   TYR 106           HA       TYR 106  88.346 -10.635  -4.962
  806   1HB   TYR 106          2HB       TYR 106  85.847  -8.994  -4.644
  807   2HB   TYR 106          3HB       TYR 106  85.866 -10.419  -5.683
  808    HD1  TYR 106           HD1      TYR 106  87.077 -12.547  -4.549
  809    HD2  TYR 106           HD2      TYR 106  85.218  -9.313  -2.423
  810    HE1  TYR 106           HE1      TYR 106  86.802 -14.008  -2.565
  811    HE2  TYR 106           HE2      TYR 106  84.949 -10.773  -0.437
  812    HH   TYR 106           HH       TYR 106  86.257 -14.072  -0.392
  813    H    ALA 107           HN       ALA 107  89.958  -9.175  -6.369
  814    HA   ALA 107           HA       ALA 107  88.560  -8.191  -8.800
  815   1HB   ALA 107           HB1      ALA 107  91.459  -8.120  -7.921
  816   2HB   ALA 107           HB3      ALA 107  90.921  -7.572  -9.507
  817   3HB   ALA 107           HB2      ALA 107  90.348  -6.756  -8.052
  818    H    GLN 108           HN       GLN 108  88.818  -9.177 -10.827
  819    HA   GLN 108           HA       GLN 108  90.131 -11.869 -10.790
  820   1HB   GLN 108          2HB       GLN 108  87.703 -10.904 -12.330
  821   2HB   GLN 108          3HB       GLN 108  88.474 -12.473 -12.571
  822   1HG   GLN 108          2HG       GLN 108  88.011 -13.119 -10.285
  823   2HG   GLN 108          3HG       GLN 108  87.408 -11.507  -9.904
  824   1HE2  GLN 108          HE22      GLN 108  84.174 -12.715 -10.635
  825   2HE2  GLN 108          HE21      GLN 108  85.212 -12.035  -9.477
  826    H    GLN 109           HN       GLN 109  91.137 -12.517 -12.835
  827    HA   GLN 109           HA       GLN 109  92.519 -10.291 -14.124
  828   1HB   GLN 109          2HB       GLN 109  93.596 -12.512 -13.647
  829   2HB   GLN 109          3HB       GLN 109  92.544 -13.232 -14.863
  830   1HG   GLN 109          2HG       GLN 109  94.660 -12.731 -15.923
  831   2HG   GLN 109          3HG       GLN 109  93.466 -11.586 -16.533
  832   1HE2  GLN 109          HE22      GLN 109  95.823  -9.071 -15.701
  833   2HE2  GLN 109          HE21      GLN 109  95.018  -9.886 -16.954
  834    H    ARG 110           HN       ARG 110  91.767  -9.233 -15.885
  835    HA   ARG 110           HA       ARG 110  89.886 -10.688 -17.697
  836   1HB   ARG 110          2HB       ARG 110  89.711  -7.806 -16.774
  837   2HB   ARG 110          3HB       ARG 110  88.689  -8.532 -18.018
  838   1HG   ARG 110          2HG       ARG 110  87.847 -10.167 -16.395
  839   2HG   ARG 110          3HG       ARG 110  88.898  -9.494 -15.153
  840   1HD   ARG 110          2HD       ARG 110  87.530  -7.740 -14.777
  841   2HD   ARG 110          3HD       ARG 110  87.260  -7.461 -16.495
  842    HE   ARG 110           HE       ARG 110  85.435  -8.719 -14.712
  843   1HH1  ARG 110          HH21      ARG 110  86.927  -9.342 -17.770
  844   2HH1  ARG 110          HH22      ARG 110  85.670 -10.410 -18.299
  845   1HH2  ARG 110          HH11      ARG 110  83.808 -10.089 -15.393
  846   2HH2  ARG 110          HH12      ARG 110  83.905 -10.833 -16.954
  847    H    ARG 111           HN       ARG 111  89.746  -9.477 -19.867
  848    HA   ARG 111           HA       ARG 111  90.858  -8.716 -21.784
  849   1HB   ARG 111          2HB       ARG 111  91.175  -6.681 -20.286
  850   2HB   ARG 111          3HB       ARG 111  92.759  -7.337 -19.868
  851   1HG   ARG 111          2HG       ARG 111  93.238  -7.455 -22.360
  852   2HG   ARG 111          3HG       ARG 111  91.766  -6.512 -22.599
  853   1HD   ARG 111          2HD       ARG 111  93.144  -5.141 -20.596
  854   2HD   ARG 111          3HD       ARG 111  94.408  -5.631 -21.723
  855    HE   ARG 111           HE       ARG 111  92.772  -3.448 -22.182
  856   1HH1  ARG 111          HH21      ARG 111  93.268  -6.505 -23.720
  857   2HH1  ARG 111          HH22      ARG 111  92.757  -5.945 -25.275
  858   1HH2  ARG 111          HH11      ARG 111  92.125  -2.716 -24.207
  859   2HH2  ARG 111          HH12      ARG 111  92.115  -3.808 -25.552
   
  No H/Q in entry =         859
  Start of MODEL   11
    1   1H    GLU   1           HT1      GLU   1  98.452  -4.374 -15.079
    2   2H    GLU   1           HT3      GLU   1  98.300  -4.194 -16.761
    3   3H    GLU   1           HT2      GLU   1  99.843  -4.244 -16.052
    4    HA   GLU   1           HA       GLU   1  99.443  -2.162 -14.922
    5   1HB   GLU   1          2HB       GLU   1  98.902  -2.230 -17.898
    6   2HB   GLU   1          3HB       GLU   1  99.166  -0.733 -17.011
    7   1HG   GLU   1          2HG       GLU   1 101.352  -1.611 -16.220
    8   2HG   GLU   1          3HG       GLU   1 101.099  -3.063 -17.189
    9    H    ASP   2           HN       ASP   2  96.689  -3.453 -16.662
   10    HA   ASP   2           HA       ASP   2  94.868  -1.311 -16.318
   11   1HB   ASP   2          2HB       ASP   2  94.455  -3.336 -17.712
   12   2HB   ASP   2          3HB       ASP   2  94.264  -4.282 -16.234
   13    H    LEU   3           HN       LEU   3  93.595  -0.667 -14.570
   14    HA   LEU   3           HA       LEU   3  94.307  -1.866 -11.963
   15   1HB   LEU   3          2HB       LEU   3  92.805   0.665 -12.681
   16   2HB   LEU   3          3HB       LEU   3  93.095   0.128 -11.027
   17    HG   LEU   3           HG       LEU   3  95.257   0.680 -13.080
   18   1HD1  LEU   3          HD13      LEU   3  93.890   2.351 -11.043
   19   2HD1  LEU   3          HD12      LEU   3  95.649   2.470 -11.079
   20   3HD1  LEU   3          HD11      LEU   3  94.711   2.832 -12.528
   21   1HD2  LEU   3          HD21      LEU   3  95.202  -0.544 -10.387
   22   2HD2  LEU   3          HD23      LEU   3  96.390  -0.714 -11.677
   23   3HD2  LEU   3          HD22      LEU   3  96.437   0.694 -10.614
   24    HA   PRO   4           HA       PRO   4  90.451  -4.126 -12.039
   25   1HB   PRO   4          2HB       PRO   4  90.486  -4.999  -9.452
   26   2HB   PRO   4          3HB       PRO   4  91.481  -5.709 -10.738
   27   1HG   PRO   4          2HG       PRO   4  92.242  -3.756  -8.625
   28   2HG   PRO   4          3HG       PRO   4  93.148  -5.137  -9.268
   29   1HD   PRO   4          2HD       PRO   4  93.645  -2.556 -10.017
   30   2HD   PRO   4          3HD       PRO   4  93.935  -3.944 -11.086
   31    H    HIS   5           HN       HIS   5  91.004  -1.236 -10.447
   32    HA   HIS   5           HA       HIS   5  88.682  -1.133  -8.743
   33   1HB   HIS   5          2HB       HIS   5  90.642   0.829  -9.800
   34   2HB   HIS   5          3HB       HIS   5  89.067   1.470  -9.328
   35    HD1  HIS   5           HD1      HIS   5  92.177  -0.020  -7.930
   36    HD2  HIS   5           HD2      HIS   5  88.391   1.042  -6.557
   37    HE1  HIS   5           HE1      HIS   5  92.286  -0.097  -5.402
   38    H    HIS   6           HN       HIS   6  89.159  -0.771 -12.167
   39    HA   HIS   6           HA       HIS   6  86.843   0.749 -12.801
   40   1HB   HIS   6          2HB       HIS   6  88.257  -1.462 -14.317
   41   2HB   HIS   6          3HB       HIS   6  86.915  -0.544 -14.996
   42    HD1  HIS   6           HD1      HIS   6  87.301   2.106 -15.191
   43    HD2  HIS   6           HD2      HIS   6  90.723  -0.143 -14.434
   44    HE1  HIS   6           HE1      HIS   6  89.273   3.598 -15.739
   45    H    ASP   7           HN       ASP   7  87.276  -2.587 -11.840
   46    HA   ASP   7           HA       ASP   7  84.464  -3.263 -12.397
   47   1HB   ASP   7          2HB       ASP   7  86.784  -4.817 -11.220
   48   2HB   ASP   7          3HB       ASP   7  85.156  -5.480 -11.377
   49    H    GLU   8           HN       GLU   8  82.922  -2.802 -10.897
   50    HA   GLU   8           HA       GLU   8  83.591  -1.721  -8.317
   51   1HB   GLU   8          2HB       GLU   8  81.484  -1.334  -9.805
   52   2HB   GLU   8          3HB       GLU   8  80.874  -2.801  -9.039
   53   1HG   GLU   8          2HG       GLU   8  81.327  -1.756  -6.812
   54   2HG   GLU   8          3HG       GLU   8  81.762  -0.267  -7.641
   55    H    LYS   9           HN       LYS   9  82.604  -4.892  -9.458
   56    HA   LYS   9           HA       LYS   9  82.078  -6.049  -6.893
   57   1HB   LYS   9          2HB       LYS   9  82.258  -8.189  -8.099
   58   2HB   LYS   9          3HB       LYS   9  81.332  -7.014  -9.037
   59   1HG   LYS   9          2HG       LYS   9  83.994  -6.563  -9.778
   60   2HG   LYS   9          3HG       LYS   9  83.840  -8.317  -9.717
   61   1HD   LYS   9          2HD       LYS   9  83.177  -7.737 -11.917
   62   2HD   LYS   9          3HD       LYS   9  81.661  -7.992 -11.052
   63   1HE   LYS   9          2HE       LYS   9  81.355  -5.617 -10.742
   64   2HE   LYS   9          3HE       LYS   9  82.967  -5.277 -11.377
   65   1HZ   LYS   9           HZ2      LYS   9  81.176  -6.813 -13.090
   66   2HZ   LYS   9           HZ1      LYS   9  80.791  -5.170 -12.866
   67   3HZ   LYS   9           HZ3      LYS   9  82.304  -5.607 -13.491
   68    H    THR  10           HN       THR  10  85.074  -5.330  -8.529
   69    HA   THR  10           HA       THR  10  86.738  -7.268  -7.222
   70    HB   THR  10           HB       THR  10  88.578  -5.515  -7.670
   71    HG1  THR  10           HG1      THR  10  87.993  -3.702  -8.583
   72   1HG2  THR  10          HG23      THR  10  86.804  -6.595  -9.871
   73   2HG2  THR  10          HG22      THR  10  88.398  -5.892 -10.153
   74   3HG2  THR  10          HG21      THR  10  88.237  -7.357  -9.185
   75    H    TRP  11           HN       TRP  11  85.584  -4.074  -6.214
   76    HA   TRP  11           HA       TRP  11  86.939  -4.558  -3.597
   77   1HB   TRP  11          2HB       TRP  11  86.312  -1.910  -3.531
   78   2HB   TRP  11          3HB       TRP  11  87.863  -2.539  -4.080
   79    HD1  TRP  11           HD1      TRP  11  87.908  -3.145  -6.826
   80    HE1  TRP  11           HE1      TRP  11  86.967  -1.735  -8.765
   81    HE3  TRP  11           HE3      TRP  11  84.612  -0.266  -4.232
   82    HZ2  TRP  11           HZ2      TRP  11  85.050   0.424  -9.127
   83    HZ3  TRP  11           HZ3      TRP  11  83.247   1.451  -5.376
   84    HH2  TRP  11           HH2      TRP  11  83.456   1.789  -7.821
   85    H    ASN  12           HN       ASN  12  83.924  -3.591  -5.177
   86    HA   ASN  12           HA       ASN  12  82.573  -3.304  -2.576
   87   1HB   ASN  12          2HB       ASN  12  82.068  -1.845  -4.582
   88   2HB   ASN  12          3HB       ASN  12  81.316  -3.266  -5.313
   89   1HD2  ASN  12          HD22      ASN  12  79.079  -1.102  -2.876
   90   2HD2  ASN  12          HD21      ASN  12  80.439  -0.537  -3.722
   91    H    VAL  13           HN       VAL  13  81.595  -4.916  -1.554
   92    HA   VAL  13           HA       VAL  13  81.022  -7.431  -3.065
   93    HB   VAL  13           HB       VAL  13  81.153  -8.556  -0.881
   94   1HG1  VAL  13          HG11      VAL  13  83.241  -8.102  -2.218
   95   2HG1  VAL  13          HG13      VAL  13  83.496  -6.661  -1.225
   96   3HG1  VAL  13          HG12      VAL  13  83.525  -8.261  -0.483
   97   1HG2  VAL  13          HG21      VAL  13  80.811  -5.839   0.056
   98   2HG2  VAL  13          HG23      VAL  13  80.701  -7.345   0.966
   99   3HG2  VAL  13          HG22      VAL  13  82.261  -6.543   0.768
  100    H    GLY  14           HN       GLY  14  79.560  -4.754  -1.528
  101   1HA   GLY  14          2HA       GLY  14  77.213  -4.284  -1.527
  102   2HA   GLY  14          3HA       GLY  14  76.900  -5.983  -1.888
  103    H    SER  15           HN       SER  15  75.278  -5.891  -0.163
  104    HA   SER  15           HA       SER  15  75.921  -5.292   2.554
  105   1HB   SER  15          2HB       SER  15  73.852  -7.195   1.410
  106   2HB   SER  15          3HB       SER  15  73.922  -6.701   3.100
  107    HG   SER  15           HG       SER  15  72.713  -5.119   2.385
  108    H    SER  16           HN       SER  16  76.561  -6.707   4.254
  109    HA   SER  16           HA       SER  16  77.100  -9.513   3.802
  110   1HB   SER  16          2HB       SER  16  78.954  -8.614   2.484
  111   2HB   SER  16          3HB       SER  16  79.438  -7.586   3.824
  112    HG   SER  16           HG       SER  16  80.676  -9.486   3.790
  113    H    ASN  17           HN       ASN  17  78.331 -10.421   5.746
  114    HA   ASN  17           HA       ASN  17  77.363  -9.054   8.178
  115   1HB   ASN  17          2HB       ASN  17  78.694 -11.749   7.747
  116   2HB   ASN  17          3HB       ASN  17  78.082 -11.173   9.298
  117   1HD2  ASN  17          HD22      ASN  17  75.423 -13.197   7.494
  118   2HD2  ASN  17          HD21      ASN  17  77.041 -13.532   7.880
  119    H    ARG  18           HN       ARG  18  78.724  -8.012   9.627
  120    HA   ARG  18           HA       ARG  18  81.342  -7.253   8.822
  121   1HB   ARG  18          2HB       ARG  18  79.931  -7.172  11.485
  122   2HB   ARG  18          3HB       ARG  18  81.600  -6.621  11.308
  123   1HG   ARG  18          2HG       ARG  18  80.923  -5.016   9.592
  124   2HG   ARG  18          3HG       ARG  18  79.259  -5.598   9.671
  125   1HD   ARG  18          2HD       ARG  18  79.066  -4.870  11.981
  126   2HD   ARG  18          3HD       ARG  18  80.764  -4.417  12.029
  127    HE   ARG  18           HE       ARG  18  78.580  -2.787  11.108
  128   1HH1  ARG  18          HH21      ARG  18  81.795  -3.696  10.214
  129   2HH1  ARG  18          HH22      ARG  18  82.019  -2.331   9.172
  130   1HH2  ARG  18          HH11      ARG  18  78.867  -1.018   9.761
  131   2HH2  ARG  18          HH12      ARG  18  80.364  -0.823   8.913
  132    H    ASN  19           HN       ASN  19  80.255  -9.923  10.883
  133    HA   ASN  19           HA       ASN  19  82.718 -10.664  12.012
  134   1HB   ASN  19          2HB       ASN  19  80.387 -12.365  11.104
  135   2HB   ASN  19          3HB       ASN  19  81.754 -13.011  12.011
  136   1HD2  ASN  19          HD22      ASN  19  80.723 -10.385  14.649
  137   2HD2  ASN  19          HD21      ASN  19  81.965 -10.316  13.492
  138    H    LYS  20           HN       LYS  20  81.397 -11.766   8.836
  139    HA   LYS  20           HA       LYS  20  83.780 -13.312   8.290
  140   1HB   LYS  20          2HB       LYS  20  82.930 -13.635   6.081
  141   2HB   LYS  20          3HB       LYS  20  81.537 -13.651   7.158
  142   1HG   LYS  20          2HG       LYS  20  81.017 -11.349   6.591
  143   2HG   LYS  20          3HG       LYS  20  82.484 -11.224   5.617
  144   1HD   LYS  20          2HD       LYS  20  80.527 -11.635   4.181
  145   2HD   LYS  20          3HD       LYS  20  81.636 -12.998   4.118
  146   1HE   LYS  20          2HE       LYS  20  80.225 -14.371   5.375
  147   2HE   LYS  20          3HE       LYS  20  79.398 -13.006   6.120
  148   1HZ   LYS  20           HZ1      LYS  20  79.101 -12.929   3.309
  149   2HZ   LYS  20           HZ3      LYS  20  78.595 -14.437   3.901
  150   3HZ   LYS  20           HZ2      LYS  20  77.901 -13.010   4.508
  151    H    ALA  21           HN       ALA  21  82.931  -9.938   7.889
  152    HA   ALA  21           HA       ALA  21  84.841  -9.198   5.918
  153   1HB   ALA  21           HB1      ALA  21  83.121  -7.828   7.701
  154   2HB   ALA  21           HB3      ALA  21  84.740  -7.199   8.003
  155   3HB   ALA  21           HB2      ALA  21  84.053  -7.135   6.379
  156    H    GLU  22           HN       GLU  22  85.157  -9.564   9.443
  157    HA   GLU  22           HA       GLU  22  87.889  -8.772   9.629
  158   1HB   GLU  22          2HB       GLU  22  86.393  -9.170  11.595
  159   2HB   GLU  22          3HB       GLU  22  86.445 -10.900  11.250
  160   1HG   GLU  22          2HG       GLU  22  88.947 -10.797  11.455
  161   2HG   GLU  22          3HG       GLU  22  88.784  -9.121  11.985
  162    H    ASN  23           HN       ASN  23  86.342 -11.900   9.012
  163    HA   ASN  23           HA       ASN  23  88.694 -13.483   8.792
  164   1HB   ASN  23          2HB       ASN  23  85.998 -13.725   7.427
  165   2HB   ASN  23          3HB       ASN  23  87.250 -14.965   7.362
  166   1HD2  ASN  23          HD22      ASN  23  86.988 -15.359  11.073
  167   2HD2  ASN  23          HD21      ASN  23  88.225 -14.905  10.005
  168    H    LEU  24           HN       LEU  24  86.790 -11.744   6.315
  169    HA   LEU  24           HA       LEU  24  88.543 -12.384   4.140
  170   1HB   LEU  24          2HB       LEU  24  86.710  -9.991   4.539
  171   2HB   LEU  24          3HB       LEU  24  87.475 -10.432   3.010
  172    HG   LEU  24           HG       LEU  24  85.643 -12.266   4.577
  173   1HD1  LEU  24          HD11      LEU  24  84.779 -10.023   3.372
  174   2HD1  LEU  24          HD13      LEU  24  84.844 -11.081   1.964
  175   3HD1  LEU  24          HD12      LEU  24  83.846 -11.518   3.351
  176   1HD2  LEU  24          HD23      LEU  24  87.346 -12.539   2.191
  177   2HD2  LEU  24          HD22      LEU  24  86.633 -13.787   3.213
  178   3HD2  LEU  24          HD21      LEU  24  85.677 -13.049   1.929
  179    H    LEU  25           HN       LEU  25  88.526  -9.788   6.545
  180    HA   LEU  25           HA       LEU  25  90.824  -8.421   5.309
  181   1HB   LEU  25          2HB       LEU  25  89.370  -8.095   7.937
  182   2HB   LEU  25          3HB       LEU  25  90.732  -7.079   7.465
  183    HG   LEU  25           HG       LEU  25  88.602  -7.336   5.420
  184   1HD1  LEU  25          HD12      LEU  25  87.477  -7.120   7.801
  185   2HD1  LEU  25          HD11      LEU  25  88.035  -5.453   7.685
  186   3HD1  LEU  25          HD13      LEU  25  86.935  -6.100   6.473
  187   1HD2  LEU  25          HD21      LEU  25  90.280  -5.120   6.617
  188   2HD2  LEU  25          HD23      LEU  25  90.375  -5.803   4.993
  189   3HD2  LEU  25          HD22      LEU  25  89.000  -4.798   5.447
  190    H    ARG  26           HN       ARG  26  90.473 -11.218   7.113
  191    HA   ARG  26           HA       ARG  26  92.968 -10.878   8.666
  192   1HB   ARG  26          2HB       ARG  26  91.878 -12.253  10.071
  193   2HB   ARG  26          3HB       ARG  26  90.590 -12.485   8.892
  194   1HG   ARG  26          2HG       ARG  26  91.828 -14.304   7.834
  195   2HG   ARG  26          3HG       ARG  26  93.213 -14.018   8.889
  196   1HD   ARG  26          2HD       ARG  26  90.445 -14.826   9.841
  197   2HD   ARG  26          3HD       ARG  26  91.818 -15.919   9.679
  198    HE   ARG  26           HE       ARG  26  92.792 -13.922  11.314
  199   1HH1  ARG  26          HH21      ARG  26  90.047 -16.008  11.261
  200   2HH1  ARG  26          HH22      ARG  26  89.857 -16.023  12.980
  201   1HH2  ARG  26          HH11      ARG  26  92.559 -13.930  13.565
  202   2HH2  ARG  26          HH12      ARG  26  91.277 -14.846  14.289
  203    H    GLY  27           HN       GLY  27  94.917 -11.683   8.016
  204   1HA   GLY  27          2HA       GLY  27  96.424 -13.146   6.901
  205   2HA   GLY  27          3HA       GLY  27  95.047 -13.910   6.111
  206    H    LYS  28           HN       LYS  28  94.606 -10.648   5.782
  207    HA   LYS  28           HA       LYS  28  95.711 -10.742   3.034
  208   1HB   LYS  28          2HB       LYS  28  93.655  -8.916   4.308
  209   2HB   LYS  28          3HB       LYS  28  94.243  -8.751   2.652
  210   1HG   LYS  28          2HG       LYS  28  92.974 -11.272   3.752
  211   2HG   LYS  28          3HG       LYS  28  92.106 -10.046   2.823
  212   1HD   LYS  28          2HD       LYS  28  94.229 -10.439   1.193
  213   2HD   LYS  28          3HD       LYS  28  94.103 -12.043   1.911
  214   1HE   LYS  28          2HE       LYS  28  91.696 -12.107   1.296
  215   2HE   LYS  28          3HE       LYS  28  91.872 -10.533   0.516
  216   1HZ   LYS  28           HZ3      LYS  28  93.900 -11.965  -0.548
  217   2HZ   LYS  28           HZ2      LYS  28  92.682 -13.140  -0.398
  218   3HZ   LYS  28           HZ1      LYS  28  92.391 -11.721  -1.287
  219    H    ARG  29           HN       ARG  29  97.433  -9.570   2.518
  220    HA   ARG  29           HA       ARG  29  98.963  -8.084   4.417
  221   1HB   ARG  29          2HB       ARG  29  99.820  -9.144   2.288
  222   2HB   ARG  29          3HB       ARG  29  99.045  -7.836   1.396
  223   1HG   ARG  29          2HG       ARG  29 100.382  -6.188   2.666
  224   2HG   ARG  29          3HG       ARG  29 101.189  -7.507   3.512
  225   1HD   ARG  29          2HD       ARG  29 101.185  -7.174   0.501
  226   2HD   ARG  29          3HD       ARG  29 102.493  -6.636   1.552
  227    HE   ARG  29           HE       ARG  29 102.166  -9.313   2.207
  228   1HH1  ARG  29          HH21      ARG  29 102.661  -7.460  -0.653
  229   2HH1  ARG  29          HH22      ARG  29 103.518  -8.716  -1.485
  230   1HH2  ARG  29          HH11      ARG  29 103.286 -10.974   1.134
  231   2HH2  ARG  29          HH12      ARG  29 103.872 -10.703  -0.474
  232    H    ASP  30           HN       ASP  30  99.177  -5.794   4.665
  233    HA   ASP  30           HA       ASP  30  96.886  -4.202   4.578
  234   1HB   ASP  30          2HB       ASP  30  98.350  -2.257   4.733
  235   2HB   ASP  30          3HB       ASP  30  99.033  -3.562   5.699
  236    H    GLY  31           HN       GLY  31  96.207  -2.507   3.054
  237   1HA   GLY  31          2HA       GLY  31  96.319  -1.435   0.866
  238   2HA   GLY  31          3HA       GLY  31  97.314  -2.776   0.300
  239    H    THR  32           HN       THR  32  95.596  -4.855   1.445
  240    HA   THR  32           HA       THR  32  93.720  -5.083  -0.742
  241    HB   THR  32           HB       THR  32  93.872  -6.716   1.795
  242    HG1  THR  32           HG1      THR  32  95.820  -6.865   0.771
  243   1HG2  THR  32          HG22      THR  32  92.225  -6.803  -0.624
  244   2HG2  THR  32          HG21      THR  32  93.043  -8.329  -0.283
  245   3HG2  THR  32          HG23      THR  32  91.987  -7.605   0.930
  246    H    PHE  33           HN       PHE  33  91.663  -4.175  -0.781
  247    HA   PHE  33           HA       PHE  33  90.275  -3.929   1.815
  248   1HB   PHE  33          2HB       PHE  33  90.214  -1.684   1.905
  249   2HB   PHE  33          3HB       PHE  33  91.591  -1.737   0.813
  250    HD1  PHE  33           HD2      PHE  33  87.959  -1.262   1.110
  251    HD2  PHE  33           HD1      PHE  33  91.320  -1.180  -1.556
  252    HE1  PHE  33           HE2      PHE  33  86.589  -0.106  -0.589
  253    HE2  PHE  33           HE1      PHE  33  89.935  -0.001  -3.251
  254    HZ   PHE  33           HZ       PHE  33  87.558   0.511  -2.754
  255    H    LEU  34           HN       LEU  34  88.005  -3.062   1.451
  256    HA   LEU  34           HA       LEU  34  86.872  -3.713  -1.207
  257   1HB   LEU  34          2HB       LEU  34  85.255  -5.302  -0.266
  258   2HB   LEU  34          3HB       LEU  34  86.896  -5.861   0.054
  259    HG   LEU  34           HG       LEU  34  85.914  -4.095   2.167
  260   1HD1  LEU  34          HD13      LEU  34  84.368  -6.597   1.463
  261   2HD1  LEU  34          HD12      LEU  34  84.359  -5.896   3.081
  262   3HD1  LEU  34          HD11      LEU  34  83.735  -4.970   1.716
  263   1HD2  LEU  34          HD22      LEU  34  86.900  -6.964   2.095
  264   2HD2  LEU  34          HD21      LEU  34  87.897  -5.533   2.363
  265   3HD2  LEU  34          HD23      LEU  34  86.685  -6.001   3.557
  266    H    VAL  35           HN       VAL  35  84.579  -2.982  -1.350
  267    HA   VAL  35           HA       VAL  35  84.080  -0.755   0.562
  268    HB   VAL  35           HB       VAL  35  83.158  -1.282  -2.266
  269   1HG1  VAL  35          HG12      VAL  35  81.949   0.538  -0.177
  270   2HG1  VAL  35          HG11      VAL  35  81.767   0.849  -1.906
  271   3HG1  VAL  35          HG13      VAL  35  81.123  -0.635  -1.202
  272   1HG2  VAL  35          HG23      VAL  35  84.626   0.914  -0.810
  273   2HG2  VAL  35          HG22      VAL  35  85.175  -0.040  -2.187
  274   3HG2  VAL  35          HG21      VAL  35  83.909   1.171  -2.399
  275    H    ARG  36           HN       ARG  36  82.221  -0.777   1.805
  276    HA   ARG  36           HA       ARG  36  80.170  -2.846   1.305
  277   1HB   ARG  36          2HB       ARG  36  81.730  -4.079   2.669
  278   2HB   ARG  36          3HB       ARG  36  81.905  -2.721   3.786
  279   1HG   ARG  36          2HG       ARG  36  79.696  -2.967   4.602
  280   2HG   ARG  36          3HG       ARG  36  79.237  -4.034   3.277
  281   1HD   ARG  36          2HD       ARG  36  81.208  -4.658   5.489
  282   2HD   ARG  36          3HD       ARG  36  79.601  -5.363   5.291
  283    HE   ARG  36           HE       ARG  36  80.905  -5.931   2.902
  284   1HH1  ARG  36          HH21      ARG  36  81.393  -6.425   6.269
  285   2HH1  ARG  36          HH22      ARG  36  82.351  -7.850   6.067
  286   1HH2  ARG  36          HH11      ARG  36  82.139  -7.805   2.602
  287   2HH2  ARG  36          HH12      ARG  36  82.773  -8.639   3.981
  288    H    GLU  37           HN       GLU  37  78.232  -2.468   2.724
  289    HA   GLU  37           HA       GLU  37  78.115   0.403   3.470
  290   1HB   GLU  37          2HB       GLU  37  75.619   0.058   3.435
  291   2HB   GLU  37          3HB       GLU  37  76.386  -0.248   1.874
  292   1HG   GLU  37          2HG       GLU  37  76.131  -2.543   3.759
  293   2HG   GLU  37          3HG       GLU  37  74.659  -1.967   2.972
  294    H    SER  38           HN       SER  38  76.479   0.761   5.359
  295    HA   SER  38           HA       SER  38  77.561  -0.700   7.658
  296   1HB   SER  38          2HB       SER  38  76.198   0.761   8.984
  297   2HB   SER  38          3HB       SER  38  76.773   1.751   7.645
  298    HG   SER  38           HG       SER  38  74.787   1.333   6.597
  299    H    SER  39           HN       SER  39  75.655  -1.407   5.262
  300    HA   SER  39           HA       SER  39  74.453  -3.389   4.922
  301   1HB   SER  39          2HB       SER  39  73.638  -3.408   7.828
  302   2HB   SER  39          3HB       SER  39  73.720  -4.757   6.704
  303    HG   SER  39           HG       SER  39  75.683  -3.588   8.234
  304    H    LYS  40           HN       LYS  40  73.436  -0.527   6.553
  305    HA   LYS  40           HA       LYS  40  70.577  -1.033   5.976
  306   1HB   LYS  40          2HB       LYS  40  71.954   1.416   7.135
  307   2HB   LYS  40          3HB       LYS  40  70.208   1.155   7.057
  308   1HG   LYS  40          2HG       LYS  40  72.000  -0.851   8.411
  309   2HG   LYS  40          3HG       LYS  40  71.433   0.578   9.277
  310   1HD   LYS  40          2HD       LYS  40  69.130  -0.035   8.931
  311   2HD   LYS  40          3HD       LYS  40  69.583  -1.349   7.849
  312   1HE   LYS  40          2HE       LYS  40  70.745  -2.484   9.694
  313   2HE   LYS  40          3HE       LYS  40  70.299  -1.170  10.784
  314   1HZ   LYS  40           HZ1      LYS  40  68.056  -2.209   9.354
  315   2HZ   LYS  40           HZ3      LYS  40  68.828  -3.407  10.273
  316   3HZ   LYS  40           HZ2      LYS  40  68.266  -1.990  11.025
  317    H    GLN  41           HN       GLN  41  69.805  -0.560   3.983
  318    HA   GLN  41           HA       GLN  41  71.266   0.532   1.872
  319   1HB   GLN  41          2HB       GLN  41  69.067  -0.594   1.619
  320   2HB   GLN  41          3HB       GLN  41  68.276   0.817   2.317
  321   1HG   GLN  41          2HG       GLN  41  69.162   2.217   0.476
  322   2HG   GLN  41          3HG       GLN  41  69.924   0.790  -0.232
  323   1HE2  GLN  41          HE22      GLN  41  66.966   0.183  -2.050
  324   2HE2  GLN  41          HE21      GLN  41  68.655   0.353  -2.075
  325    H    GLY  42           HN       GLY  42  71.891   2.566   1.309
  326   1HA   GLY  42          2HA       GLY  42  71.478   4.967   1.175
  327   2HA   GLY  42          3HA       GLY  42  70.606   4.860   2.703
  328    H    CYS  43           HN       CYS  43  73.230   2.907   3.015
  329    HA   CYS  43           HA       CYS  43  74.996   5.128   3.950
  330   1HB   CYS  43          2HB       CYS  43  73.781   4.117   5.879
  331   2HB   CYS  43          3HB       CYS  43  74.459   2.549   5.456
  332    HG   CYS  43           HG       CYS  43  76.116   4.961   6.542
  333    H    TYR  44           HN       TYR  44  77.189   4.777   3.531
  334    HA   TYR  44           HA       TYR  44  77.890   2.127   2.348
  335   1HB   TYR  44          2HB       TYR  44  78.716   4.867   1.372
  336   2HB   TYR  44          3HB       TYR  44  79.462   3.370   0.820
  337    HD1  TYR  44           HD1      TYR  44  77.488   1.471   0.301
  338    HD2  TYR  44           HD2      TYR  44  77.154   5.737  -0.100
  339    HE1  TYR  44           HE1      TYR  44  75.660   1.175  -1.350
  340    HE2  TYR  44           HE2      TYR  44  75.326   5.438  -1.751
  341    HH   TYR  44           HH       TYR  44  74.025   2.230  -2.490
  342    H    ALA  45           HN       ALA  45  80.286   1.676   2.443
  343    HA   ALA  45           HA       ALA  45  82.013   3.231   4.149
  344   1HB   ALA  45           HB3      ALA  45  80.683   0.784   5.359
  345   2HB   ALA  45           HB2      ALA  45  82.114   1.564   6.036
  346   3HB   ALA  45           HB1      ALA  45  80.587   2.444   5.951
  347    H    CYS  46           HN       CYS  46  84.160   2.174   4.321
  348    HA   CYS  46           HA       CYS  46  84.380  -0.278   2.647
  349   1HB   CYS  46          2HB       CYS  46  86.292   0.649   1.452
  350   2HB   CYS  46          3HB       CYS  46  84.970   1.813   1.346
  351    HG   CYS  46           HG       CYS  46  87.585   2.224   2.915
  352    H    SER  47           HN       SER  47  85.950  -1.709   3.317
  353    HA   SER  47           HA       SER  47  87.363  -0.991   5.860
  354   1HB   SER  47          2HB       SER  47  87.231  -3.380   6.434
  355   2HB   SER  47          3HB       SER  47  85.619  -2.740   6.119
  356    HG   SER  47           HG       SER  47  85.740  -4.566   4.934
  357    H    VAL  48           HN       VAL  48  89.553  -1.380   5.953
  358    HA   VAL  48           HA       VAL  48  90.762  -2.830   3.650
  359    HB   VAL  48           HB       VAL  48  91.013  -0.375   3.315
  360   1HG1  VAL  48          HG13      VAL  48  92.445  -0.552   5.965
  361   2HG1  VAL  48          HG12      VAL  48  92.580   0.818   4.864
  362   3HG1  VAL  48          HG11      VAL  48  91.022   0.411   5.578
  363   1HG2  VAL  48          HG23      VAL  48  92.754  -2.127   2.639
  364   2HG2  VAL  48          HG22      VAL  48  93.323  -0.460   2.756
  365   3HG2  VAL  48          HG21      VAL  48  93.668  -1.602   4.054
  366    H    VAL  49           HN       VAL  49  93.049  -3.440   4.164
  367    HA   VAL  49           HA       VAL  49  93.225  -4.237   7.031
  368    HB   VAL  49           HB       VAL  49  94.548  -5.360   4.559
  369   1HG1  VAL  49          HG11      VAL  49  95.258  -5.525   7.416
  370   2HG1  VAL  49          HG13      VAL  49  95.126  -7.087   6.611
  371   3HG1  VAL  49          HG12      VAL  49  96.243  -5.869   5.993
  372   1HG2  VAL  49          HG23      VAL  49  92.215  -6.040   6.218
  373   2HG2  VAL  49          HG22      VAL  49  92.595  -6.521   4.565
  374   3HG2  VAL  49          HG21      VAL  49  93.302  -7.397   5.918
  375    H    VAL  50           HN       VAL  50  94.966  -3.517   8.240
  376    HA   VAL  50           HA       VAL  50  96.923  -1.825   6.751
  377    HB   VAL  50           HB       VAL  50  95.734  -1.476   9.518
  378   1HG1  VAL  50          HG12      VAL  50  98.311  -0.507   8.349
  379   2HG1  VAL  50          HG11      VAL  50  97.392   0.604   9.362
  380   3HG1  VAL  50          HG13      VAL  50  97.935  -0.942  10.015
  381   1HG2  VAL  50          HG21      VAL  50  95.967   0.327   7.086
  382   2HG2  VAL  50          HG23      VAL  50  94.504  -0.502   7.604
  383   3HG2  VAL  50          HG22      VAL  50  95.202   0.768   8.610
  384    H    ASP  51           HN       ASP  51  99.084  -1.908   7.470
  385    HA   ASP  51           HA       ASP  51 100.150  -4.440   8.004
  386   1HB   ASP  51          2HB       ASP  51 101.420  -2.452   7.157
  387   2HB   ASP  51          3HB       ASP  51 101.371  -1.781   8.788
  388    H    GLY  52           HN       GLY  52  98.248  -2.807  10.105
  389   1HA   GLY  52          2HA       GLY  52  99.552  -4.179  12.402
  390   2HA   GLY  52          3HA       GLY  52  99.049  -2.502  12.566
  391    H    GLU  53           HN       GLU  53  96.501  -2.922  11.035
  392    HA   GLU  53           HA       GLU  53  95.090  -4.966  12.616
  393   1HB   GLU  53          2HB       GLU  53  94.593  -2.013  13.084
  394   2HB   GLU  53          3HB       GLU  53  93.546  -3.306  13.670
  395   1HG   GLU  53          2HG       GLU  53  95.597  -4.272  14.836
  396   2HG   GLU  53          3HG       GLU  53  96.417  -2.756  14.455
  397    H    VAL  54           HN       VAL  54  92.753  -5.037  12.106
  398    HA   VAL  54           HA       VAL  54  92.270  -4.565   9.263
  399    HB   VAL  54           HB       VAL  54  90.503  -5.567  11.513
  400   1HG1  VAL  54          HG12      VAL  54  89.906  -4.748   8.748
  401   2HG1  VAL  54          HG11      VAL  54  89.341  -6.363   9.162
  402   3HG1  VAL  54          HG13      VAL  54  88.814  -4.982  10.111
  403   1HG2  VAL  54          HG23      VAL  54  92.239  -6.810   9.413
  404   2HG2  VAL  54          HG22      VAL  54  92.011  -7.281  11.097
  405   3HG2  VAL  54          HG21      VAL  54  90.771  -7.658   9.900
  406    H    LYS  55           HN       LYS  55  91.068  -2.847   8.405
  407    HA   LYS  55           HA       LYS  55  90.082  -0.874  10.426
  408   1HB   LYS  55          2HB       LYS  55  90.981  -0.335   7.592
  409   2HB   LYS  55          3HB       LYS  55  90.597   0.866   8.826
  410   1HG   LYS  55          2HG       LYS  55  92.870  -1.132   8.884
  411   2HG   LYS  55          3HG       LYS  55  93.007   0.618   8.726
  412   1HD   LYS  55          2HD       LYS  55  91.745   0.741  10.956
  413   2HD   LYS  55          3HD       LYS  55  92.112  -0.974  11.113
  414   1HE   LYS  55          2HE       LYS  55  94.462  -0.591  11.101
  415   2HE   LYS  55          3HE       LYS  55  94.259   1.076  10.566
  416   1HZ   LYS  55           HZ1      LYS  55  93.294   0.008  13.162
  417   2HZ   LYS  55           HZ3      LYS  55  94.736   0.877  12.959
  418   3HZ   LYS  55           HZ2      LYS  55  93.246   1.626  12.655
  419    H    HIS  56           HN       HIS  56  88.149   0.223  10.031
  420    HA   HIS  56           HA       HIS  56  86.415  -0.858   7.857
  421   1HB   HIS  56          2HB       HIS  56  85.728  -0.503  10.785
  422   2HB   HIS  56          3HB       HIS  56  84.502  -0.690   9.532
  423    HD1  HIS  56           HD1      HIS  56  85.767  -2.880   7.801
  424    HD2  HIS  56           HD2      HIS  56  85.715  -3.004  11.967
  425    HE1  HIS  56           HE1      HIS  56  85.992  -5.321   8.450
  426    H    CYS  57           HN       CYS  57  87.331   1.301   6.990
  427    HA   CYS  57           HA       CYS  57  86.544   3.803   8.134
  428   1HB   CYS  57          2HB       CYS  57  87.085   3.032   5.258
  429   2HB   CYS  57          3HB       CYS  57  86.908   4.690   5.826
  430    HG   CYS  57           HG       CYS  57  89.484   3.817   5.819
  431    H    VAL  58           HN       VAL  58  84.716   5.043   7.850
  432    HA   VAL  58           HA       VAL  58  82.367   3.644   6.662
  433    HB   VAL  58           HB       VAL  58  82.385   4.369   9.117
  434   1HG1  VAL  58          HG11      VAL  58  83.485   6.606   8.449
  435   2HG1  VAL  58          HG13      VAL  58  81.871   7.106   7.945
  436   3HG1  VAL  58          HG12      VAL  58  82.174   6.678   9.629
  437   1HG2  VAL  58          HG21      VAL  58  80.346   4.095   7.386
  438   2HG2  VAL  58          HG23      VAL  58  80.084   4.646   9.042
  439   3HG2  VAL  58          HG22      VAL  58  80.166   5.817   7.727
  440    H    ILE  59           HN       ILE  59  81.231   4.637   5.003
  441    HA   ILE  59           HA       ILE  59  82.182   7.344   4.206
  442    HB   ILE  59           HB       ILE  59  81.378   5.021   2.434
  443   1HG1  ILE  59          HG12      ILE  59  84.032   6.475   2.599
  444   2HG1  ILE  59          HG11      ILE  59  83.683   5.026   3.546
  445   1HG2  ILE  59          HG21      ILE  59  81.315   7.858   1.979
  446   2HG2  ILE  59          HG23      ILE  59  82.598   7.156   0.995
  447   3HG2  ILE  59          HG22      ILE  59  80.945   6.557   0.846
  448   1HD1  ILE  59          HD13      ILE  59  83.090   3.858   1.393
  449   2HD1  ILE  59          HD12      ILE  59  83.684   5.279   0.527
  450   3HD1  ILE  59          HD11      ILE  59  84.787   4.322   1.518
  451    H    ASN  60           HN       ASN  60  80.550   8.853   3.812
  452    HA   ASN  60           HA       ASN  60  77.764   7.856   4.216
  453   1HB   ASN  60          2HB       ASN  60  78.970  10.625   4.469
  454   2HB   ASN  60          3HB       ASN  60  77.248  10.284   4.634
  455   1HD2  ASN  60          HD22      ASN  60  78.309   7.990   7.519
  456   2HD2  ASN  60          HD21      ASN  60  77.829   7.612   5.935
  457    H    LYS  61           HN       LYS  61  76.053   9.061   2.842
  458    HA   LYS  61           HA       LYS  61  77.203   9.592   0.130
  459   1HB   LYS  61          2HB       LYS  61  75.522   8.330  -0.891
  460   2HB   LYS  61          3HB       LYS  61  75.837   7.398   0.573
  461   1HG   LYS  61          2HG       LYS  61  73.958   8.636   1.694
  462   2HG   LYS  61          3HG       LYS  61  73.587   9.384   0.141
  463   1HD   LYS  61          2HD       LYS  61  73.791   6.655  -0.438
  464   2HD   LYS  61          3HD       LYS  61  72.924   6.713   1.096
  465   1HE   LYS  61          2HE       LYS  61  71.309   6.840  -0.721
  466   2HE   LYS  61          3HE       LYS  61  71.364   8.402   0.097
  467   1HZ   LYS  61           HZ2      LYS  61  73.135   7.921  -2.195
  468   2HZ   LYS  61           HZ1      LYS  61  71.494   8.253  -2.479
  469   3HZ   LYS  61           HZ3      LYS  61  72.451   9.376  -1.642
  470    H    THR  62           HN       THR  62  75.967  11.203   2.604
  471    HA   THR  62           HA       THR  62  73.792  12.667   1.308
  472    HB   THR  62           HB       THR  62  75.380  13.345   3.803
  473    HG1  THR  62           HG1      THR  62  72.808  12.200   3.639
  474   1HG2  THR  62          HG21      THR  62  72.972  14.513   2.462
  475   2HG2  THR  62          HG23      THR  62  73.033  14.499   4.223
  476   3HG2  THR  62          HG22      THR  62  74.289  15.329   3.305
  477    H    ALA  63           HN       ALA  63  73.992  15.122   1.096
  478    HA   ALA  63           HA       ALA  63  76.008  15.804  -0.765
  479   1HB   ALA  63           HB3      ALA  63  74.222  17.460   1.021
  480   2HB   ALA  63           HB2      ALA  63  75.384  18.223  -0.064
  481   3HB   ALA  63           HB1      ALA  63  74.099  17.209  -0.721
  482    H    THR  64           HN       THR  64  75.815  16.595   2.717
  483    HA   THR  64           HA       THR  64  78.647  17.463   2.654
  484    HB   THR  64           HB       THR  64  76.652  17.436   4.938
  485    HG1  THR  64           HG1      THR  64  75.976  19.195   4.057
  486   1HG2  THR  64          HG23      THR  64  79.524  17.969   4.752
  487   2HG2  THR  64          HG22      THR  64  78.620  19.301   5.476
  488   3HG2  THR  64          HG21      THR  64  78.523  17.687   6.174
  489    H    GLY  65           HN       GLY  65  77.032  14.607   2.903
  490   1HA   GLY  65          2HA       GLY  65  78.489  13.413   5.130
  491   2HA   GLY  65          3HA       GLY  65  77.470  12.551   3.978
  492    H    TYR  66           HN       TYR  66  78.447  11.512   2.251
  493    HA   TYR  66           HA       TYR  66  80.232  10.542   1.073
  494   1HB   TYR  66          2HB       TYR  66  81.274  13.363   1.427
  495   2HB   TYR  66          3HB       TYR  66  82.042  12.150   0.402
  496    HD1  TYR  66           HD1      TYR  66  80.448  10.949  -1.330
  497    HD2  TYR  66           HD2      TYR  66  79.637  14.751   0.502
  498    HE1  TYR  66           HE1      TYR  66  78.885  11.505  -3.174
  499    HE2  TYR  66           HE2      TYR  66  78.074  15.304  -1.345
  500    HH   TYR  66           HH       TYR  66  78.035  13.911  -4.202
  501    H    GLY  67           HN       GLY  67  82.589   9.916   1.336
  502   1HA   GLY  67          2HA       GLY  67  83.126   9.248   4.078
  503   2HA   GLY  67          3HA       GLY  67  84.268   9.059   2.747
  504    H    PHE  68           HN       PHE  68  85.385  11.061   2.032
  505    HA   PHE  68           HA       PHE  68  85.907  12.838   4.374
  506   1HB   PHE  68          2HB       PHE  68  87.594  12.242   1.924
  507   2HB   PHE  68          3HB       PHE  68  88.079  13.273   3.273
  508    HD1  PHE  68           HD1      PHE  68  86.915   9.819   2.461
  509    HD2  PHE  68           HD2      PHE  68  89.090  12.313   5.201
  510    HE1  PHE  68           HE1      PHE  68  87.662   7.804   3.695
  511    HE2  PHE  68           HE2      PHE  68  89.839  10.298   6.436
  512    HZ   PHE  68           HZ       PHE  68  89.129   8.040   5.683
  513    H    ALA  69           HN       ALA  69  84.956  14.817   4.214
  514    HA   ALA  69           HA       ALA  69  84.373  15.907   1.487
  515   1HB   ALA  69           HB2      ALA  69  83.132  16.395   4.202
  516   2HB   ALA  69           HB1      ALA  69  82.811  17.438   2.815
  517   3HB   ALA  69           HB3      ALA  69  82.362  15.735   2.760
  518    H    GLU  70           HN       GLU  70  85.339  17.086   4.751
  519    HA   GLU  70           HA       GLU  70  86.781  18.850   5.321
  520   1HB   GLU  70          2HB       GLU  70  87.849  17.581   2.984
  521   2HB   GLU  70          3HB       GLU  70  88.122  19.312   2.846
  522   1HG   GLU  70          2HG       GLU  70  90.010  18.561   4.040
  523   2HG   GLU  70          3HG       GLU  70  88.944  19.135   5.322
  524    HA   PRO  71           HA       PRO  71  85.083  22.736   4.090
  525   1HB   PRO  71          2HB       PRO  71  87.602  23.682   2.827
  526   2HB   PRO  71          3HB       PRO  71  86.643  24.418   4.123
  527   1HG   PRO  71          2HG       PRO  71  88.981  23.166   4.567
  528   2HG   PRO  71          3HG       PRO  71  87.666  23.205   5.752
  529   1HD   PRO  71          2HD       PRO  71  88.619  20.952   4.082
  530   2HD   PRO  71          3HD       PRO  71  87.753  20.919   5.633
  531    H    TYR  72           HN       TYR  72  87.062  21.250   1.523
  532    HA   TYR  72           HA       TYR  72  84.904  21.902  -0.386
  533   1HB   TYR  72          2HB       TYR  72  86.333  23.023  -1.956
  534   2HB   TYR  72          3HB       TYR  72  86.517  23.826  -0.397
  535    HD1  TYR  72           HD1      TYR  72  88.101  21.510  -2.809
  536    HD2  TYR  72           HD2      TYR  72  88.591  23.695   0.856
  537    HE1  TYR  72           HE1      TYR  72  90.536  21.057  -2.864
  538    HE2  TYR  72           HE2      TYR  72  91.027  23.248   0.798
  539    HH   TYR  72           HH       TYR  72  92.754  22.718  -1.182
  540    H    ASN  73           HN       ASN  73  86.830  19.563   0.802
  541    HA   ASN  73           HA       ASN  73  87.390  18.368  -1.873
  542   1HB   ASN  73          2HB       ASN  73  88.324  17.603   0.901
  543   2HB   ASN  73          3HB       ASN  73  88.633  16.615  -0.522
  544   1HD2  ASN  73          HD22      ASN  73  90.853  19.100  -1.988
  545   2HD2  ASN  73          HD21      ASN  73  89.623  18.020  -2.443
  546    H    LEU  74           HN       LEU  74  85.112  17.973  -2.256
  547    HA   LEU  74           HA       LEU  74  84.022  15.665  -0.716
  548   1HB   LEU  74          2HB       LEU  74  82.511  17.775  -2.294
  549   2HB   LEU  74          3HB       LEU  74  81.789  16.450  -1.388
  550    HG   LEU  74           HG       LEU  74  83.306  17.566   0.560
  551   1HD1  LEU  74          HD11      LEU  74  83.904  19.353  -1.229
  552   2HD1  LEU  74          HD13      LEU  74  82.271  19.955  -0.956
  553   3HD1  LEU  74          HD12      LEU  74  83.425  19.914   0.376
  554   1HD2  LEU  74          HD23      LEU  74  80.499  18.164  -0.382
  555   2HD2  LEU  74          HD22      LEU  74  81.011  17.141   0.958
  556   3HD2  LEU  74          HD21      LEU  74  81.138  18.896   1.088
  557    H    TYR  75           HN       TYR  75  84.795  14.015  -2.028
  558    HA   TYR  75           HA       TYR  75  85.060  14.001  -4.836
  559   1HB   TYR  75          2HB       TYR  75  84.298  11.678  -3.043
  560   2HB   TYR  75          3HB       TYR  75  84.979  11.549  -4.666
  561    HD1  TYR  75           HD1      TYR  75  87.307  12.198  -5.119
  562    HD2  TYR  75           HD2      TYR  75  85.664  12.374  -1.154
  563    HE1  TYR  75           HE1      TYR  75  89.587  12.415  -4.181
  564    HE2  TYR  75           HE2      TYR  75  87.946  12.587  -0.213
  565    HH   TYR  75           HH       TYR  75  90.156  12.382  -0.687
  566    H    SER  76           HN       SER  76  83.596  13.929  -6.473
  567    HA   SER  76           HA       SER  76  80.780  14.194  -5.953
  568   1HB   SER  76          2HB       SER  76  81.960  15.176  -7.915
  569   2HB   SER  76          3HB       SER  76  82.146  13.553  -8.577
  570    HG   SER  76           HG       SER  76  80.279  14.251  -9.446
  571    H    SER  77           HN       SER  77  82.753  11.394  -6.984
  572    HA   SER  77           HA       SER  77  80.283   9.739  -6.614
  573   1HB   SER  77          2HB       SER  77  82.391   9.427  -8.769
  574   2HB   SER  77          3HB       SER  77  81.091   8.278  -8.467
  575    HG   SER  77           HG       SER  77  80.428  10.976  -8.768
  576    H    LEU  78           HN       LEU  78  80.724   7.471  -6.026
  577    HA   LEU  78           HA       LEU  78  82.749   7.232  -3.995
  578   1HB   LEU  78          2HB       LEU  78  81.087   5.114  -5.396
  579   2HB   LEU  78          3HB       LEU  78  82.099   4.812  -3.987
  580    HG   LEU  78           HG       LEU  78  79.832   6.826  -4.080
  581   1HD1  LEU  78          HD12      LEU  78  80.004   3.954  -3.249
  582   2HD1  LEU  78          HD11      LEU  78  78.961   5.039  -2.327
  583   3HD1  LEU  78          HD13      LEU  78  78.689   4.806  -4.056
  584   1HD2  LEU  78          HD22      LEU  78  81.990   6.206  -2.174
  585   2HD2  LEU  78          HD21      LEU  78  80.983   7.648  -2.303
  586   3HD2  LEU  78          HD23      LEU  78  80.382   6.227  -1.447
  587    H    LYS  79           HN       LYS  79  82.551   6.181  -7.381
  588    HA   LYS  79           HA       LYS  79  84.834   4.522  -7.499
  589   1HB   LYS  79          2HB       LYS  79  83.680   6.476  -9.512
  590   2HB   LYS  79          3HB       LYS  79  85.031   5.408  -9.890
  591   1HG   LYS  79          2HG       LYS  79  83.626   3.459  -9.241
  592   2HG   LYS  79          3HG       LYS  79  82.267   4.554  -8.983
  593   1HD   LYS  79          2HD       LYS  79  82.241   5.189 -11.307
  594   2HD   LYS  79          3HD       LYS  79  83.767   4.357 -11.608
  595   1HE   LYS  79          2HE       LYS  79  81.171   3.023 -10.772
  596   2HE   LYS  79          3HE       LYS  79  81.861   2.997 -12.397
  597   1HZ   LYS  79           HZ3      LYS  79  83.936   2.141 -11.007
  598   2HZ   LYS  79           HZ2      LYS  79  82.695   1.578  -9.994
  599   3HZ   LYS  79           HZ1      LYS  79  82.757   1.090 -11.621
  600    H    GLU  80           HN       GLU  80  84.572   8.081  -7.752
  601    HA   GLU  80           HA       GLU  80  87.406   8.505  -8.097
  602   1HB   GLU  80          2HB       GLU  80  85.175  10.329  -7.166
  603   2HB   GLU  80          3HB       GLU  80  86.837  10.868  -7.414
  604   1HG   GLU  80          2HG       GLU  80  86.744  10.106  -9.749
  605   2HG   GLU  80          3HG       GLU  80  85.076   9.580  -9.509
  606    H    LEU  81           HN       LEU  81  85.239   8.589  -5.275
  607    HA   LEU  81           HA       LEU  81  87.151   9.473  -3.372
  608   1HB   LEU  81          2HB       LEU  81  84.733   9.343  -2.908
  609   2HB   LEU  81          3HB       LEU  81  84.806   7.584  -2.991
  610    HG   LEU  81           HG       LEU  81  86.554   9.137  -1.086
  611   1HD1  LEU  81          HD12      LEU  81  83.646   8.636  -0.959
  612   2HD1  LEU  81          HD11      LEU  81  84.540   8.155   0.483
  613   3HD1  LEU  81          HD13      LEU  81  84.620   9.819  -0.091
  614   1HD2  LEU  81          HD21      LEU  81  85.928   6.314  -1.661
  615   2HD2  LEU  81          HD23      LEU  81  87.325   7.013  -0.840
  616   3HD2  LEU  81          HD22      LEU  81  85.834   6.725   0.049
  617    H    VAL  82           HN       VAL  82  86.258   6.179  -4.381
  618    HA   VAL  82           HA       VAL  82  88.062   4.810  -2.643
  619    HB   VAL  82           HB       VAL  82  86.909   4.051  -5.340
  620   1HG1  VAL  82          HG12      VAL  82  88.437   2.431  -3.292
  621   2HG1  VAL  82          HG11      VAL  82  87.442   1.708  -4.558
  622   3HG1  VAL  82          HG13      VAL  82  88.849   2.677  -4.989
  623   1HG2  VAL  82          HG21      VAL  82  86.119   3.473  -2.468
  624   2HG2  VAL  82          HG23      VAL  82  85.204   4.401  -3.652
  625   3HG2  VAL  82          HG22      VAL  82  85.405   2.662  -3.861
  626    H    LEU  83           HN       LEU  83  88.424   5.908  -6.026
  627    HA   LEU  83           HA       LEU  83  91.069   4.935  -6.453
  628   1HB   LEU  83          2HB       LEU  83  89.545   7.265  -7.635
  629   2HB   LEU  83          3HB       LEU  83  91.146   6.786  -8.202
  630    HG   LEU  83           HG       LEU  83  88.840   4.836  -8.043
  631   1HD1  LEU  83          HD12      LEU  83  89.696   6.652 -10.313
  632   2HD1  LEU  83          HD11      LEU  83  88.710   5.207 -10.549
  633   3HD1  LEU  83          HD13      LEU  83  88.100   6.539  -9.570
  634   1HD2  LEU  83          HD23      LEU  83  91.619   4.590  -8.546
  635   2HD2  LEU  83          HD22      LEU  83  90.385   3.349  -8.762
  636   3HD2  LEU  83          HD21      LEU  83  90.822   4.405 -10.110
  637    H    HIS  84           HN       HIS  84  89.904   8.017  -5.139
  638    HA   HIS  84           HA       HIS  84  92.313   9.440  -5.046
  639   1HB   HIS  84          2HB       HIS  84  90.061  10.298  -4.356
  640   2HB   HIS  84          3HB       HIS  84  90.221   9.382  -2.855
  641    HD1  HIS  84           HD1      HIS  84  91.988  10.200  -1.125
  642    HD2  HIS  84           HD2      HIS  84  91.736  12.601  -4.520
  643    HE1  HIS  84           HE1      HIS  84  93.277  12.320  -0.602
  644    H    TYR  85           HN       TYR  85  91.074   7.160  -2.568
  645    HA   TYR  85           HA       TYR  85  93.442   7.422  -0.931
  646   1HB   TYR  85          2HB       TYR  85  91.124   5.517  -0.970
  647   2HB   TYR  85          3HB       TYR  85  92.510   5.225   0.079
  648    HD1  TYR  85           HD2      TYR  85  93.392   7.525   1.244
  649    HD2  TYR  85           HD1      TYR  85  89.353   6.674   0.025
  650    HE1  TYR  85           HE2      TYR  85  92.554   9.207   2.848
  651    HE2  TYR  85           HE1      TYR  85  88.514   8.358   1.646
  652    HH   TYR  85           HH       TYR  85  90.712  10.506   3.341
  653    H    GLN  86           HN       GLN  86  92.787   5.475  -3.745
  654    HA   GLN  86           HA       GLN  86  94.578   3.314  -3.186
  655   1HB   GLN  86          2HB       GLN  86  93.916   4.594  -5.864
  656   2HB   GLN  86          3HB       GLN  86  94.695   3.028  -5.650
  657   1HG   GLN  86          2HG       GLN  86  92.744   2.168  -4.505
  658   2HG   GLN  86          3HG       GLN  86  91.968   3.739  -4.567
  659   1HE2  GLN  86          HE22      GLN  86  92.542   2.223  -8.317
  660   2HE2  GLN  86          HE21      GLN  86  93.862   2.416  -7.266
  661    H    HIS  87           HN       HIS  87  95.128   6.560  -4.449
  662    HA   HIS  87           HA       HIS  87  98.023   6.021  -4.766
  663   1HB   HIS  87          2HB       HIS  87  96.749   7.359  -6.469
  664   2HB   HIS  87          3HB       HIS  87  96.455   8.578  -5.234
  665    HD1  HIS  87           HD1      HIS  87  98.464  10.037  -4.478
  666    HD2  HIS  87           HD2      HIS  87  99.426   7.267  -7.443
  667    HE1  HIS  87           HE1      HIS  87 100.751  10.691  -5.354
  668    H    THR  88           HN       THR  88  95.772   7.895  -2.791
  669    HA   THR  88           HA       THR  88  97.959   9.043  -1.198
  670    HB   THR  88           HB       THR  88  95.927   9.999   0.068
  671    HG1  THR  88           HG1      THR  88  94.430   9.559  -2.185
  672   1HG2  THR  88          HG23      THR  88  97.338  11.130  -1.736
  673   2HG2  THR  88          HG22      THR  88  96.065  10.681  -2.870
  674   3HG2  THR  88          HG21      THR  88  95.705  11.764  -1.525
  675    H    SER  89           HN       SER  89  98.480   8.413   0.863
  676    HA   SER  89           HA       SER  89  97.550   5.778   1.734
  677   1HB   SER  89          2HB       SER  89  99.897   6.314   2.016
  678   2HB   SER  89          3HB       SER  89  99.499   7.771   2.922
  679    HG   SER  89           HG       SER  89  98.338   5.499   3.921
  680    H    LEU  90           HN       LEU  90  96.127   5.377   3.390
  681    HA   LEU  90           HA       LEU  90  94.312   7.409   4.208
  682   1HB   LEU  90          2HB       LEU  90  94.864   4.600   5.056
  683   2HB   LEU  90          3HB       LEU  90  93.830   5.599   6.080
  684    HG   LEU  90           HG       LEU  90  93.350   5.529   3.115
  685   1HD1  LEU  90          HD11      LEU  90  92.712   3.395   5.139
  686   2HD1  LEU  90          HD13      LEU  90  91.616   3.688   3.787
  687   3HD1  LEU  90          HD12      LEU  90  93.286   3.213   3.480
  688   1HD2  LEU  90          HD22      LEU  90  91.567   5.823   5.553
  689   2HD2  LEU  90          HD21      LEU  90  92.140   7.147   4.537
  690   3HD2  LEU  90          HD23      LEU  90  91.034   5.942   3.877
  691    H    VAL  91           HN       VAL  91  97.143   6.047   5.928
  692    HA   VAL  91           HA       VAL  91  98.088   6.709   8.017
  693    HB   VAL  91           HB       VAL  91  97.503   9.314   6.592
  694   1HG1  VAL  91          HG13      VAL  91  97.900   9.651   9.011
  695   2HG1  VAL  91          HG12      VAL  91  99.410   8.747   8.871
  696   3HG1  VAL  91          HG11      VAL  91  99.229  10.291   8.043
  697   1HG2  VAL  91          HG21      VAL  91  99.248   7.255   5.910
  698   2HG2  VAL  91          HG23      VAL  91  99.303   8.912   5.312
  699   3HG2  VAL  91          HG22      VAL  91 100.275   8.447   6.707
  700    H    GLN  92           HN       GLN  92  95.961   9.531   7.597
  701    HA   GLN  92           HA       GLN  92  93.997  10.134   8.777
  702   1HB   GLN  92          2HB       GLN  92  93.879   7.469   9.071
  703   2HB   GLN  92          3HB       GLN  92  94.262   7.913  10.735
  704   1HG   GLN  92          2HG       GLN  92  91.928   8.025  10.740
  705   2HG   GLN  92          3HG       GLN  92  92.377   9.701  10.417
  706   1HE2  GLN  92          HE22      GLN  92  90.842   7.453   7.331
  707   2HE2  GLN  92          HE21      GLN  92  91.590   6.663   8.630
  708    H    HIS  93           HN       HIS  93  93.485  10.768  11.151
  709    HA   HIS  93           HA       HIS  93  95.690  12.244  12.211
  710   1HB   HIS  93          2HB       HIS  93  93.045  11.434  13.455
  711   2HB   HIS  93          3HB       HIS  93  94.207  12.486  14.258
  712    HD1  HIS  93           HD1      HIS  93  91.626  12.448  11.593
  713    HD2  HIS  93           HD2      HIS  93  94.624  15.025  12.910
  714    HE1  HIS  93           HE1      HIS  93  91.173  14.687  10.500
  715    H    ASN  94           HN       ASN  94  94.328   9.062  13.015
  716    HA   ASN  94           HA       ASN  94  95.844   8.560  15.372
  717   1HB   ASN  94          2HB       ASN  94  94.936   6.634  13.206
  718   2HB   ASN  94          3HB       ASN  94  95.591   6.139  14.767
  719   1HD2  ASN  94          HD22      ASN  94  91.739   6.608  14.689
  720   2HD2  ASN  94          HD21      ASN  94  92.745   6.019  13.454
  721    H    ASP  95           HN       ASP  95  96.729   8.898  12.100
  722    HA   ASP  95           HA       ASP  95  98.789   8.805  11.010
  723   1HB   ASP  95          2HB       ASP  95  99.716   8.789  13.893
  724   2HB   ASP  95          3HB       ASP  95 100.820   8.882  12.524
  725    H    SER  96           HN       SER  96  97.348   6.209  11.901
  726    HA   SER  96           HA       SER  96  99.742   4.520  11.412
  727   1HB   SER  96          2HB       SER  96  97.548   3.847  13.393
  728   2HB   SER  96          3HB       SER  96  98.945   2.844  13.017
  729    HG   SER  96           HG       SER  96  99.228   4.147  14.902
  730    H    LEU  97           HN       LEU  97  97.101   5.486   9.984
  731    HA   LEU  97           HA       LEU  97  96.300   2.775   9.014
  732   1HB   LEU  97          2HB       LEU  97  94.932   5.471   8.685
  733   2HB   LEU  97          3HB       LEU  97  94.379   3.978   7.931
  734    HG   LEU  97           HG       LEU  97  94.677   3.208  10.551
  735   1HD1  LEU  97          HD12      LEU  97  95.013   5.786  10.935
  736   2HD1  LEU  97          HD11      LEU  97  93.265   5.851  10.734
  737   3HD1  LEU  97          HD13      LEU  97  93.965   4.872  12.023
  738   1HD2  LEU  97          HD22      LEU  97  92.778   2.770   8.993
  739   2HD2  LEU  97          HD21      LEU  97  92.229   3.232  10.604
  740   3HD2  LEU  97          HD23      LEU  97  92.190   4.406   9.286
  741    H    ASN  98           HN       ASN  98  98.766   3.643   8.385
  742    HA   ASN  98           HA       ASN  98  98.830   5.142   5.907
  743   1HB   ASN  98          2HB       ASN  98 100.929   3.411   7.218
  744   2HB   ASN  98          3HB       ASN  98 101.210   4.630   5.976
  745   1HD2  ASN  98          HD22      ASN  98 101.350   5.812   9.734
  746   2HD2  ASN  98          HD21      ASN  98 101.632   4.235   9.180
  747    H    VAL  99           HN       VAL  99  97.124   3.537   5.052
  748    HA   VAL  99           HA       VAL  99  98.566   1.411   3.541
  749    HB   VAL  99           HB       VAL  99  97.254   0.330   5.303
  750   1HG1  VAL  99          HG11      VAL  99  94.999   1.987   4.151
  751   2HG1  VAL  99          HG13      VAL  99  94.751   0.645   5.272
  752   3HG1  VAL  99          HG12      VAL  99  95.655   2.076   5.782
  753   1HG2  VAL  99          HG22      VAL  99  97.325  -0.731   3.056
  754   2HG2  VAL  99          HG21      VAL  99  95.823  -1.082   3.903
  755   3HG2  VAL  99          HG23      VAL  99  95.845   0.127   2.625
  756    H    THR 100           HN       THR 100  97.487   0.945   1.461
  757    HA   THR 100           HA       THR 100  95.981   3.342   0.490
  758    HB   THR 100           HB       THR 100  96.876   2.863  -1.710
  759    HG1  THR 100           HG1      THR 100  97.877   1.008  -2.166
  760   1HG2  THR 100          HG21      THR 100  98.372   3.922   0.137
  761   2HG2  THR 100          HG23      THR 100  99.222   2.376   0.112
  762   3HG2  THR 100          HG22      THR 100  99.142   3.364  -1.348
  763    H    LEU 101           HN       LEU 101  94.175   2.938  -0.905
  764    HA   LEU 101           HA       LEU 101  92.880   0.311  -0.401
  765   1HB   LEU 101          2HB       LEU 101  91.836   2.834  -1.743
  766   2HB   LEU 101          3HB       LEU 101  90.873   1.420  -1.341
  767    HG   LEU 101           HG       LEU 101  92.335   3.158   0.654
  768   1HD1  LEU 101          HD13      LEU 101  89.960   3.676  -0.697
  769   2HD1  LEU 101          HD12      LEU 101  89.417   2.962   0.823
  770   3HD1  LEU 101          HD11      LEU 101  90.443   4.395   0.838
  771   1HD2  LEU 101          HD21      LEU 101  90.981   0.541   0.806
  772   2HD2  LEU 101          HD23      LEU 101  92.176   1.250   1.890
  773   3HD2  LEU 101          HD22      LEU 101  90.477   1.698   2.034
  774    H    ALA 102           HN       ALA 102  95.198   0.695  -2.161
  775    HA   ALA 102           HA       ALA 102  94.308   0.694  -4.923
  776   1HB   ALA 102           HB1      ALA 102  96.880   0.352  -3.465
  777   2HB   ALA 102           HB3      ALA 102  96.795  -0.249  -5.122
  778   3HB   ALA 102           HB2      ALA 102  96.466   1.451  -4.783
  779    H    TYR 103           HN       TYR 103  94.242  -1.820  -2.598
  780    HA   TYR 103           HA       TYR 103  94.286  -3.796  -4.848
  781   1HB   TYR 103          2HB       TYR 103  95.191  -4.081  -1.983
  782   2HB   TYR 103          3HB       TYR 103  94.938  -5.465  -3.045
  783    HD1  TYR 103           HD1      TYR 103  96.202  -5.509  -5.280
  784    HD2  TYR 103           HD2      TYR 103  97.193  -2.837  -2.070
  785    HE1  TYR 103           HE1      TYR 103  98.451  -5.154  -6.269
  786    HE2  TYR 103           HE2      TYR 103  99.439  -2.484  -3.051
  787    HH   TYR 103           HH       TYR 103 100.833  -3.012  -4.694
  788    HA   PRO 104           HA       PRO 104  89.946  -4.098  -3.432
  789   1HB   PRO 104          2HB       PRO 104  89.764  -5.885  -5.768
  790   2HB   PRO 104          3HB       PRO 104  88.814  -4.451  -5.366
  791   1HG   PRO 104          2HG       PRO 104  90.641  -4.485  -7.335
  792   2HG   PRO 104          3HG       PRO 104  90.261  -3.033  -6.400
  793   1HD   PRO 104          2HD       PRO 104  92.656  -4.811  -6.221
  794   2HD   PRO 104          3HD       PRO 104  92.521  -3.064  -5.922
  795    H    VAL 105           HN       VAL 105  88.692  -6.010  -2.721
  796    HA   VAL 105           HA       VAL 105  90.476  -8.123  -1.740
  797    HB   VAL 105           HB       VAL 105  88.690  -7.054  -0.336
  798   1HG1  VAL 105          HG12      VAL 105  86.883  -8.632  -2.190
  799   2HG1  VAL 105          HG11      VAL 105  86.362  -7.864  -0.688
  800   3HG1  VAL 105          HG13      VAL 105  86.941  -6.878  -2.032
  801   1HG2  VAL 105          HG22      VAL 105  89.573  -9.661  -0.373
  802   2HG2  VAL 105          HG21      VAL 105  88.606  -8.940   0.910
  803   3HG2  VAL 105          HG23      VAL 105  87.819  -9.859  -0.372
  804    H    TYR 106           HN       TYR 106  88.193  -7.690  -4.325
  805    HA   TYR 106           HA       TYR 106  88.313 -10.616  -4.896
  806   1HB   TYR 106          2HB       TYR 106  86.227  -8.542  -5.435
  807   2HB   TYR 106          3HB       TYR 106  86.370  -9.917  -6.538
  808    HD1  TYR 106           HD1      TYR 106  86.467 -12.274  -5.480
  809    HD2  TYR 106           HD2      TYR 106  85.054  -8.796  -3.394
  810    HE1  TYR 106           HE1      TYR 106  85.283 -13.727  -3.857
  811    HE2  TYR 106           HE2      TYR 106  83.880 -10.250  -1.768
  812    HH   TYR 106           HH       TYR 106  84.513 -13.343  -1.276
  813    H    ALA 107           HN       ALA 107  90.448  -8.765  -5.542
  814    HA   ALA 107           HA       ALA 107  90.341  -8.013  -8.321
  815   1HB   ALA 107           HB1      ALA 107  91.987  -7.179  -6.552
  816   2HB   ALA 107           HB3      ALA 107  92.835  -8.712  -6.754
  817   3HB   ALA 107           HB2      ALA 107  92.692  -7.597  -8.114
  818    H    GLN 108           HN       GLN 108  91.337  -9.125 -10.128
  819    HA   GLN 108           HA       GLN 108  91.046 -12.026  -9.999
  820   1HB   GLN 108          2HB       GLN 108  92.066 -10.222 -12.213
  821   2HB   GLN 108          3HB       GLN 108  91.749 -11.951 -12.387
  822   1HG   GLN 108          2HG       GLN 108  89.732 -11.072 -13.130
  823   2HG   GLN 108          3HG       GLN 108  89.378 -11.290 -11.414
  824   1HE2  GLN 108          HE22      GLN 108  88.403  -7.866 -11.515
  825   2HE2  GLN 108          HE21      GLN 108  87.853  -9.468 -11.414
  826    H    GLN 109           HN       GLN 109  92.785 -13.511 -10.680
  827    HA   GLN 109           HA       GLN 109  94.932 -14.413 -10.430
  828   1HB   GLN 109          2HB       GLN 109  95.733 -11.522 -10.867
  829   2HB   GLN 109          3HB       GLN 109  96.834 -12.898 -10.921
  830   1HG   GLN 109          2HG       GLN 109  95.564 -13.863 -12.783
  831   2HG   GLN 109          3HG       GLN 109  94.426 -12.516 -12.720
  832   1HE2  GLN 109          HE22      GLN 109  96.511 -10.968 -15.139
  833   2HE2  GLN 109          HE21      GLN 109  94.994 -11.661 -14.828
  834    H    ARG 110           HN       ARG 110  93.469 -13.483  -8.048
  835    HA   ARG 110           HA       ARG 110  95.849 -13.029  -6.296
  836   1HB   ARG 110          2HB       ARG 110  94.358 -11.002  -6.499
  837   2HB   ARG 110          3HB       ARG 110  93.069 -11.956  -5.764
  838   1HG   ARG 110          2HG       ARG 110  94.389 -12.304  -3.763
  839   2HG   ARG 110          3HG       ARG 110  95.779 -11.523  -4.497
  840   1HD   ARG 110          2HD       ARG 110  93.119 -10.176  -3.991
  841   2HD   ARG 110          3HD       ARG 110  94.519 -10.016  -2.937
  842    HE   ARG 110           HE       ARG 110  94.025  -8.516  -5.331
  843   1HH1  ARG 110          HH21      ARG 110  96.569 -10.262  -3.780
  844   2HH1  ARG 110          HH22      ARG 110  97.818  -9.506  -4.710
  845   1HH2  ARG 110          HH11      ARG 110  95.640  -7.526  -6.528
  846   2HH2  ARG 110          HH12      ARG 110  97.294  -7.961  -6.260
  847    H    ARG 111           HN       ARG 111  95.981 -14.394  -4.536
  848    HA   ARG 111           HA       ARG 111  93.828 -16.446  -4.313
  849   1HB   ARG 111          2HB       ARG 111  96.737 -16.463  -3.468
  850   2HB   ARG 111          3HB       ARG 111  95.599 -17.742  -3.049
  851   1HG   ARG 111          2HG       ARG 111  95.123 -18.029  -5.496
  852   2HG   ARG 111          3HG       ARG 111  96.407 -16.869  -5.833
  853   1HD   ARG 111          2HD       ARG 111  97.579 -18.678  -4.067
  854   2HD   ARG 111          3HD       ARG 111  96.603 -19.697  -5.118
  855    HE   ARG 111           HE       ARG 111  99.078 -18.712  -5.874
  856   1HH1  ARG 111          HH21      ARG 111  95.825 -18.277  -6.972
  857   2HH1  ARG 111          HH22      ARG 111  96.291 -17.888  -8.590
  858   1HH2  ARG 111          HH11      ARG 111  99.683 -18.210  -7.983
  859   2HH2  ARG 111          HH12      ARG 111  98.467 -17.847  -9.161
   
  No H/Q in entry =         859
  Start of MODEL   12
    1   1H    GLU   1           HT1      GLU   1  95.537  -5.265 -17.645
    2   2H    GLU   1           HT3      GLU   1  94.997  -4.993 -19.229
    3   3H    GLU   1           HT2      GLU   1  96.614  -5.437 -18.949
    4    HA   GLU   1           HA       GLU   1  97.031  -3.361 -17.805
    5   1HB   GLU   1          2HB       GLU   1  97.311  -3.506 -20.290
    6   2HB   GLU   1          3HB       GLU   1  95.653  -2.932 -20.479
    7   1HG   GLU   1          2HG       GLU   1  96.263  -0.871 -19.205
    8   2HG   GLU   1          3HG       GLU   1  97.935  -1.431 -19.155
    9    H    ASP   2           HN       ASP   2  93.702  -4.090 -18.409
   10    HA   ASP   2           HA       ASP   2  92.621  -1.480 -17.757
   11   1HB   ASP   2          2HB       ASP   2  91.312  -3.207 -18.990
   12   2HB   ASP   2          3HB       ASP   2  91.304  -4.209 -17.538
   13    H    LEU   3           HN       LEU   3  91.874  -0.733 -15.726
   14    HA   LEU   3           HA       LEU   3  93.031  -2.128 -13.375
   15   1HB   LEU   3          2HB       LEU   3  91.773   0.615 -13.691
   16   2HB   LEU   3          3HB       LEU   3  92.441  -0.006 -12.179
   17    HG   LEU   3           HG       LEU   3  94.542  -0.491 -13.762
   18   1HD1  LEU   3          HD13      LEU   3  92.882   0.821 -15.533
   19   2HD1  LEU   3          HD12      LEU   3  93.930   2.121 -14.962
   20   3HD1  LEU   3          HD11      LEU   3  94.631   0.678 -15.696
   21   1HD2  LEU   3          HD23      LEU   3  93.852   2.217 -12.568
   22   2HD2  LEU   3          HD22      LEU   3  94.590   0.862 -11.712
   23   3HD2  LEU   3          HD21      LEU   3  95.474   1.680 -12.998
   24    HA   PRO   4           HA       PRO   4  89.085  -3.756 -12.196
   25   1HB   PRO   4          2HB       PRO   4  89.487  -3.995  -9.494
   26   2HB   PRO   4          3HB       PRO   4  90.133  -5.129 -10.691
   27   1HG   PRO   4          2HG       PRO   4  91.505  -2.906  -9.261
   28   2HG   PRO   4          3HG       PRO   4  92.124  -4.498  -9.734
   29   1HD   PRO   4          2HD       PRO   4  92.713  -2.200 -11.111
   30   2HD   PRO   4          3HD       PRO   4  92.661  -3.804 -11.876
   31    H    HIS   5           HN       HIS   5  90.104  -0.667 -11.438
   32    HA   HIS   5           HA       HIS   5  88.110   0.085  -9.475
   33   1HB   HIS   5          2HB       HIS   5  89.662   1.751 -11.482
   34   2HB   HIS   5          3HB       HIS   5  88.633   2.424 -10.214
   35    HD1  HIS   5           HD1      HIS   5  89.293   1.126  -7.718
   36    HD2  HIS   5           HD2      HIS   5  92.260   1.689 -10.591
   37    HE1  HIS   5           HE1      HIS   5  91.510   0.930  -6.506
   38    H    HIS   6           HN       HIS   6  88.196  -0.120 -12.974
   39    HA   HIS   6           HA       HIS   6  85.812   1.352 -13.538
   40   1HB   HIS   6          2HB       HIS   6  87.088  -1.012 -14.942
   41   2HB   HIS   6          3HB       HIS   6  85.716  -0.115 -15.594
   42    HD1  HIS   6           HD1      HIS   6  86.237   2.664 -15.548
   43    HD2  HIS   6           HD2      HIS   6  89.455   0.039 -15.869
   44    HE1  HIS   6           HE1      HIS   6  88.176   4.021 -16.451
   45    H    ASP   7           HN       ASP   7  86.378  -1.935 -12.421
   46    HA   ASP   7           HA       ASP   7  83.523  -2.620 -12.637
   47   1HB   ASP   7          2HB       ASP   7  85.885  -4.216 -11.619
   48   2HB   ASP   7          3HB       ASP   7  84.252  -4.841 -11.846
   49    H    GLU   8           HN       GLU   8  82.136  -2.471 -10.949
   50    HA   GLU   8           HA       GLU   8  83.046  -1.447  -8.386
   51   1HB   GLU   8          2HB       GLU   8  80.923  -0.692  -9.330
   52   2HB   GLU   8          3HB       GLU   8  80.316  -2.350  -9.324
   53   1HG   GLU   8          2HG       GLU   8  80.363  -2.462  -6.961
   54   2HG   GLU   8          3HG       GLU   8  81.296  -0.972  -6.829
   55    H    LYS   9           HN       LYS   9  82.325  -4.574  -9.686
   56    HA   LYS   9           HA       LYS   9  81.772  -5.916  -7.190
   57   1HB   LYS   9          2HB       LYS   9  82.252  -7.969  -8.539
   58   2HB   LYS   9          3HB       LYS   9  81.114  -6.869  -9.321
   59   1HG   LYS   9          2HG       LYS   9  82.486  -6.602 -11.075
   60   2HG   LYS   9          3HG       LYS   9  83.797  -6.095 -10.019
   61   1HD   LYS   9          2HD       LYS   9  84.043  -8.662  -9.538
   62   2HD   LYS   9          3HD       LYS   9  83.160  -8.834 -11.060
   63   1HE   LYS   9          2HE       LYS   9  85.032  -6.883 -11.653
   64   2HE   LYS   9          3HE       LYS   9  85.921  -7.978 -10.593
   65   1HZ   LYS   9           HZ1      LYS   9  84.356  -9.454 -12.428
   66   2HZ   LYS   9           HZ3      LYS   9  85.337  -8.353 -13.268
   67   3HZ   LYS   9           HZ2      LYS   9  86.043  -9.470 -12.199
   68    H    THR  10           HN       THR  10  84.747  -4.808  -8.607
   69    HA   THR  10           HA       THR  10  86.440  -6.798  -7.345
   70    HB   THR  10           HB       THR  10  88.283  -5.225  -7.965
   71    HG1  THR  10           HG1      THR  10  86.334  -3.488  -7.912
   72   1HG2  THR  10          HG23      THR  10  86.170  -5.926 -10.007
   73   2HG2  THR  10          HG22      THR  10  87.765  -5.321 -10.449
   74   3HG2  THR  10          HG21      THR  10  87.610  -6.855  -9.592
   75    H    TRP  11           HN       TRP  11  85.057  -3.767  -6.224
   76    HA   TRP  11           HA       TRP  11  86.548  -4.187  -3.665
   77   1HB   TRP  11          2HB       TRP  11  85.812  -1.544  -3.574
   78   2HB   TRP  11          3HB       TRP  11  87.405  -2.116  -4.079
   79    HD1  TRP  11           HD1      TRP  11  87.590  -2.691  -6.794
   80    HE1  TRP  11           HE1      TRP  11  86.609  -1.403  -8.793
   81    HE3  TRP  11           HE3      TRP  11  84.019   0.037  -4.386
   82    HZ2  TRP  11           HZ2      TRP  11  84.603   0.577  -9.296
   83    HZ3  TRP  11           HZ3      TRP  11  82.594   1.625  -5.645
   84    HH2  TRP  11           HH2      TRP  11  82.881   1.900  -8.095
   85    H    ASN  12           HN       ASN  12  83.505  -3.680  -5.242
   86    HA   ASN  12           HA       ASN  12  82.066  -3.030  -2.769
   87   1HB   ASN  12          2HB       ASN  12  81.384  -2.212  -5.045
   88   2HB   ASN  12          3HB       ASN  12  80.939  -3.872  -5.443
   89   1HD2  ASN  12          HD22      ASN  12  77.734  -2.916  -4.227
   90   2HD2  ASN  12          HD21      ASN  12  78.648  -3.243  -5.619
   91    H    VAL  13           HN       VAL  13  81.471  -4.507  -1.334
   92    HA   VAL  13           HA       VAL  13  80.703  -7.217  -2.298
   93    HB   VAL  13           HB       VAL  13  82.159  -6.882   0.305
   94   1HG1  VAL  13          HG13      VAL  13  80.973  -9.000  -0.258
   95   2HG1  VAL  13          HG12      VAL  13  81.960  -9.148  -1.709
   96   3HG1  VAL  13          HG11      VAL  13  82.714  -9.238  -0.116
   97   1HG2  VAL  13          HG21      VAL  13  83.434  -7.251  -2.431
   98   2HG2  VAL  13          HG23      VAL  13  83.612  -5.838  -1.389
   99   3HG2  VAL  13          HG22      VAL  13  84.279  -7.392  -0.887
  100    H    GLY  14           HN       GLY  14  79.119  -4.873  -1.568
  101   1HA   GLY  14          2HA       GLY  14  78.046  -4.521   0.872
  102   2HA   GLY  14          3HA       GLY  14  76.976  -4.764  -0.506
  103    H    SER  15           HN       SER  15  77.821  -7.603  -0.862
  104    HA   SER  15           HA       SER  15  75.904  -8.807   0.938
  105   1HB   SER  15          2HB       SER  15  76.554 -10.915  -0.086
  106   2HB   SER  15          3HB       SER  15  76.422  -9.682  -1.340
  107    HG   SER  15           HG       SER  15  78.544  -9.689  -1.585
  108    H    SER  16           HN       SER  16  79.303  -8.183   1.158
  109    HA   SER  16           HA       SER  16  80.010 -10.248   3.020
  110   1HB   SER  16          2HB       SER  16  81.710  -8.948   1.829
  111   2HB   SER  16          3HB       SER  16  81.172  -7.476   2.630
  112    HG   SER  16           HG       SER  16  81.751  -8.445   4.615
  113    H    ASN  17           HN       ASN  17  80.153 -10.148   5.330
  114    HA   ASN  17           HA       ASN  17  78.479  -7.996   6.577
  115   1HB   ASN  17          2HB       ASN  17  78.918 -10.865   7.455
  116   2HB   ASN  17          3HB       ASN  17  78.053  -9.659   8.403
  117   1HD2  ASN  17          HD22      ASN  17  75.687 -11.653   6.193
  118   2HD2  ASN  17          HD21      ASN  17  76.923 -12.140   7.248
  119    H    ARG  18           HN       ARG  18  79.119  -7.577   8.941
  120    HA   ARG  18           HA       ARG  18  81.822  -6.731   9.099
  121   1HB   ARG  18          2HB       ARG  18  79.777  -7.284  11.258
  122   2HB   ARG  18          3HB       ARG  18  81.394  -6.692  11.630
  123   1HG   ARG  18          2HG       ARG  18  81.002  -4.750  10.116
  124   2HG   ARG  18          3HG       ARG  18  79.345  -5.317   9.865
  125   1HD   ARG  18          2HD       ARG  18  78.928  -3.914  11.639
  126   2HD   ARG  18          3HD       ARG  18  79.401  -5.343  12.558
  127    HE   ARG  18           HE       ARG  18  81.801  -4.032  12.147
  128   1HH1  ARG  18          HH21      ARG  18  78.689  -3.208  13.337
  129   2HH1  ARG  18          HH22      ARG  18  79.270  -2.006  14.441
  130   1HH2  ARG  18          HH11      ARG  18  82.599  -2.461  13.584
  131   2HH2  ARG  18          HH12      ARG  18  81.487  -1.571  14.570
  132    H    ASN  19           HN       ASN  19  80.281  -9.712  10.356
  133    HA   ASN  19           HA       ASN  19  82.673 -10.749  11.578
  134   1HB   ASN  19          2HB       ASN  19  80.330 -11.595  11.997
  135   2HB   ASN  19          3HB       ASN  19  80.382 -12.348  10.401
  136   1HD2  ASN  19          HD22      ASN  19  81.595 -14.800  12.999
  137   2HD2  ASN  19          HD21      ASN  19  80.179 -13.876  12.857
  138    H    LYS  20           HN       LYS  20  81.158 -11.274   8.386
  139    HA   LYS  20           HA       LYS  20  83.205 -13.040   7.412
  140   1HB   LYS  20          2HB       LYS  20  80.919 -12.700   6.358
  141   2HB   LYS  20          3HB       LYS  20  81.522 -11.162   5.734
  142   1HG   LYS  20          2HG       LYS  20  83.306 -12.298   4.519
  143   2HG   LYS  20          3HG       LYS  20  82.827 -13.853   5.205
  144   1HD   LYS  20          2HD       LYS  20  80.614 -13.644   4.105
  145   2HD   LYS  20          3HD       LYS  20  81.121 -12.108   3.400
  146   1HE   LYS  20          2HE       LYS  20  83.043 -13.341   2.309
  147   2HE   LYS  20          3HE       LYS  20  82.307 -14.848   2.861
  148   1HZ   LYS  20           HZ2      LYS  20  80.211 -13.835   1.740
  149   2HZ   LYS  20           HZ1      LYS  20  81.350 -12.933   0.857
  150   3HZ   LYS  20           HZ3      LYS  20  81.386 -14.628   0.800
  151    H    ALA  21           HN       ALA  21  82.811  -9.520   7.420
  152    HA   ALA  21           HA       ALA  21  84.938  -8.845   5.666
  153   1HB   ALA  21           HB2      ALA  21  83.249  -7.254   6.763
  154   2HB   ALA  21           HB1      ALA  21  84.281  -7.310   8.192
  155   3HB   ALA  21           HB3      ALA  21  84.916  -6.673   6.676
  156    H    GLU  22           HN       GLU  22  84.959  -9.708   9.106
  157    HA   GLU  22           HA       GLU  22  87.686  -9.092   9.629
  158   1HB   GLU  22          2HB       GLU  22  85.878 -11.246  10.767
  159   2HB   GLU  22          3HB       GLU  22  87.502 -10.931  11.375
  160   1HG   GLU  22          2HG       GLU  22  86.882  -8.616  11.892
  161   2HG   GLU  22          3HG       GLU  22  85.267  -8.887  11.237
  162    H    ASN  23           HN       ASN  23  86.143 -12.040   8.361
  163    HA   ASN  23           HA       ASN  23  88.547 -13.550   8.080
  164   1HB   ASN  23          2HB       ASN  23  85.866 -13.637   6.696
  165   2HB   ASN  23          3HB       ASN  23  87.158 -14.762   6.284
  166   1HD2  ASN  23          HD22      ASN  23  86.852 -15.509  10.128
  167   2HD2  ASN  23          HD21      ASN  23  87.890 -14.386   9.387
  168    H    LEU  24           HN       LEU  24  86.795 -11.383   5.826
  169    HA   LEU  24           HA       LEU  24  88.694 -11.740   3.666
  170   1HB   LEU  24          2HB       LEU  24  86.655  -9.543   4.179
  171   2HB   LEU  24          3HB       LEU  24  87.560  -9.738   2.676
  172    HG   LEU  24           HG       LEU  24  85.750 -11.852   3.883
  173   1HD1  LEU  24          HD13      LEU  24  84.756  -9.612   2.843
  174   2HD1  LEU  24          HD12      LEU  24  85.109 -10.431   1.323
  175   3HD1  LEU  24          HD11      LEU  24  84.025 -11.177   2.499
  176   1HD2  LEU  24          HD21      LEU  24  87.694 -11.798   1.686
  177   2HD2  LEU  24          HD23      LEU  24  86.962 -13.176   2.506
  178   3HD2  LEU  24          HD22      LEU  24  86.102 -12.379   1.190
  179    H    LEU  25           HN       LEU  25  88.510  -9.712   6.486
  180    HA   LEU  25           HA       LEU  25  90.738  -8.003   5.508
  181   1HB   LEU  25          2HB       LEU  25  89.115  -7.961   8.072
  182   2HB   LEU  25          3HB       LEU  25  90.403  -6.819   7.689
  183    HG   LEU  25           HG       LEU  25  88.143  -7.227   5.748
  184   1HD1  LEU  25          HD11      LEU  25  87.199  -6.759   8.051
  185   2HD1  LEU  25          HD13      LEU  25  88.116  -5.251   8.053
  186   3HD1  LEU  25          HD12      LEU  25  86.845  -5.510   6.856
  187   1HD2  LEU  25          HD21      LEU  25  90.001  -4.937   6.478
  188   2HD2  LEU  25          HD23      LEU  25  90.084  -5.929   5.020
  189   3HD2  LEU  25          HD22      LEU  25  88.723  -4.834   5.265
  190    H    ARG  26           HN       ARG  26  90.207 -10.872   7.193
  191    HA   ARG  26           HA       ARG  26  92.735 -10.699   8.737
  192   1HB   ARG  26          2HB       ARG  26  90.427 -12.669   8.710
  193   2HB   ARG  26          3HB       ARG  26  91.923 -12.970   9.604
  194   1HG   ARG  26          2HG       ARG  26  90.711 -10.303  10.035
  195   2HG   ARG  26          3HG       ARG  26  89.762 -11.664  10.637
  196   1HD   ARG  26          2HD       ARG  26  91.738 -12.494  11.860
  197   2HD   ARG  26          3HD       ARG  26  92.672 -11.114  11.285
  198    HE   ARG  26           HE       ARG  26  90.454  -9.977  12.524
  199   1HH1  ARG  26          HH21      ARG  26  92.994 -12.165  13.314
  200   2HH1  ARG  26          HH22      ARG  26  92.946 -11.820  15.011
  201   1HH2  ARG  26          HH11      ARG  26  90.398  -9.494  14.742
  202   2HH2  ARG  26          HH12      ARG  26  91.478 -10.319  15.817
  203    H    GLY  27           HN       GLY  27  94.562 -11.818   8.083
  204   1HA   GLY  27          2HA       GLY  27  95.848 -13.433   6.913
  205   2HA   GLY  27          3HA       GLY  27  94.361 -14.063   6.207
  206    H    LYS  28           HN       LYS  28  94.218 -10.799   5.745
  207    HA   LYS  28           HA       LYS  28  95.335 -11.059   2.997
  208   1HB   LYS  28          2HB       LYS  28  93.325  -9.071   4.107
  209   2HB   LYS  28          3HB       LYS  28  93.866  -9.156   2.430
  210   1HG   LYS  28          2HG       LYS  28  93.138 -11.687   2.655
  211   2HG   LYS  28          3HG       LYS  28  92.123 -11.062   3.950
  212   1HD   LYS  28          2HD       LYS  28  90.713 -10.863   2.096
  213   2HD   LYS  28          3HD       LYS  28  91.438  -9.257   2.168
  214   1HE   LYS  28          2HE       LYS  28  91.583  -9.995  -0.124
  215   2HE   LYS  28          3HE       LYS  28  93.204 -10.077   0.559
  216   1HZ   LYS  28           HZ1      LYS  28  92.667 -12.468   1.081
  217   2HZ   LYS  28           HZ3      LYS  28  91.326 -12.303   0.052
  218   3HZ   LYS  28           HZ2      LYS  28  92.897 -12.085  -0.556
  219    H    ARG  29           HN       ARG  29  96.968  -9.710   2.350
  220    HA   ARG  29           HA       ARG  29  98.501  -8.309   4.337
  221   1HB   ARG  29          2HB       ARG  29  99.920  -7.614   2.469
  222   2HB   ARG  29          3HB       ARG  29  99.493  -9.318   2.292
  223   1HG   ARG  29          2HG       ARG  29  97.644  -8.671   0.756
  224   2HG   ARG  29          3HG       ARG  29  98.146  -6.986   0.895
  225   1HD   ARG  29          2HD       ARG  29 100.340  -7.531  -0.044
  226   2HD   ARG  29          3HD       ARG  29  99.911  -9.234  -0.121
  227    HE   ARG  29           HE       ARG  29  97.948  -7.967  -1.638
  228   1HH1  ARG  29          HH21      ARG  29 101.382  -8.057  -1.514
  229   2HH1  ARG  29          HH22      ARG  29 101.593  -7.785  -3.211
  230   1HH2  ARG  29          HH11      ARG  29  98.210  -7.574  -3.882
  231   2HH2  ARG  29          HH12      ARG  29  99.808  -7.528  -4.548
  232    H    ASP  30           HN       ASP  30  99.045  -5.995   4.265
  233    HA   ASP  30           HA       ASP  30  96.788  -4.287   4.418
  234   1HB   ASP  30          2HB       ASP  30  99.691  -3.579   3.914
  235   2HB   ASP  30          3HB       ASP  30  98.434  -2.432   4.381
  236    H    GLY  31           HN       GLY  31  96.016  -2.678   3.003
  237   1HA   GLY  31          2HA       GLY  31  96.179  -1.434   0.898
  238   2HA   GLY  31          3HA       GLY  31  97.107  -2.774   0.229
  239    H    THR  32           HN       THR  32  95.273  -4.792   1.338
  240    HA   THR  32           HA       THR  32  93.344  -4.759  -0.856
  241    HB   THR  32           HB       THR  32  93.672  -6.705   1.450
  242    HG1  THR  32           HG1      THR  32  95.473  -6.935   0.316
  243   1HG2  THR  32          HG21      THR  32  91.721  -6.480  -0.668
  244   2HG2  THR  32          HG23      THR  32  92.635  -7.980  -0.826
  245   3HG2  THR  32          HG22      THR  32  91.782  -7.622   0.673
  246    H    PHE  33           HN       PHE  33  91.375  -3.728  -0.649
  247    HA   PHE  33           HA       PHE  33  90.147  -3.747   2.062
  248   1HB   PHE  33          2HB       PHE  33  89.862  -1.484   2.182
  249   2HB   PHE  33          3HB       PHE  33  91.318  -1.493   1.191
  250    HD1  PHE  33           HD1      PHE  33  90.655  -1.954  -1.470
  251    HD2  PHE  33           HD2      PHE  33  88.224  -0.016   1.493
  252    HE1  PHE  33           HE1      PHE  33  89.411  -0.734  -3.248
  253    HE2  PHE  33           HE2      PHE  33  87.009   1.192  -0.303
  254    HZ   PHE  33           HZ       PHE  33  87.598   0.830  -2.650
  255    H    LEU  34           HN       LEU  34  87.790  -3.213   1.958
  256    HA   LEU  34           HA       LEU  34  86.629  -3.903  -0.704
  257   1HB   LEU  34          2HB       LEU  34  85.008  -5.401   0.400
  258   2HB   LEU  34          3HB       LEU  34  86.660  -5.959   0.660
  259    HG   LEU  34           HG       LEU  34  85.516  -4.077   2.673
  260   1HD1  LEU  34          HD13      LEU  34  83.730  -5.825   2.153
  261   2HD1  LEU  34          HD12      LEU  34  84.875  -7.035   2.732
  262   3HD1  LEU  34          HD11      LEU  34  84.290  -5.782   3.824
  263   1HD2  LEU  34          HD23      LEU  34  87.332  -6.498   2.687
  264   2HD2  LEU  34          HD22      LEU  34  87.783  -4.813   2.963
  265   3HD2  LEU  34          HD21      LEU  34  86.808  -5.673   4.154
  266    H    VAL  35           HN       VAL  35  84.398  -3.181  -0.940
  267    HA   VAL  35           HA       VAL  35  83.760  -0.965   0.941
  268    HB   VAL  35           HB       VAL  35  83.112  -1.204  -2.010
  269   1HG1  VAL  35          HG13      VAL  35  82.027   0.446   0.162
  270   2HG1  VAL  35          HG12      VAL  35  82.623   1.391  -1.200
  271   3HG1  VAL  35          HG11      VAL  35  81.387   0.159  -1.454
  272   1HG2  VAL  35          HG21      VAL  35  85.503  -0.625  -1.246
  273   2HG2  VAL  35          HG23      VAL  35  84.724   0.519  -2.339
  274   3HG2  VAL  35          HG22      VAL  35  84.815   0.869  -0.611
  275    H    ARG  36           HN       ARG  36  81.920  -1.251   2.088
  276    HA   ARG  36           HA       ARG  36  79.625  -2.685   0.915
  277   1HB   ARG  36          2HB       ARG  36  79.456  -4.325   2.692
  278   2HB   ARG  36          3HB       ARG  36  81.071  -4.456   2.004
  279   1HG   ARG  36          2HG       ARG  36  81.969  -3.064   3.835
  280   2HG   ARG  36          3HG       ARG  36  80.350  -2.924   4.524
  281   1HD   ARG  36          2HD       ARG  36  80.654  -5.656   4.173
  282   2HD   ARG  36          3HD       ARG  36  82.258  -5.145   4.692
  283    HE   ARG  36           HE       ARG  36  80.113  -5.483   6.444
  284   1HH1  ARG  36          HH21      ARG  36  82.129  -2.832   5.470
  285   2HH1  ARG  36          HH22      ARG  36  81.910  -1.969   6.958
  286   1HH2  ARG  36          HH11      ARG  36  79.836  -4.348   8.366
  287   2HH2  ARG  36          HH12      ARG  36  80.624  -2.821   8.582
  288    H    GLU  37           HN       GLU  37  77.829  -2.713   2.798
  289    HA   GLU  37           HA       GLU  37  77.923   0.022   3.941
  290   1HB   GLU  37          2HB       GLU  37  75.426  -0.396   4.257
  291   2HB   GLU  37          3HB       GLU  37  75.965  -0.308   2.580
  292   1HG   GLU  37          2HG       GLU  37  75.933  -2.960   3.974
  293   2HG   GLU  37          3HG       GLU  37  74.419  -2.283   3.366
  294    H    SER  38           HN       SER  38  76.805   0.200   6.116
  295    HA   SER  38           HA       SER  38  78.026  -1.734   7.961
  296   1HB   SER  38          2HB       SER  38  77.103  -0.367   9.708
  297   2HB   SER  38          3HB       SER  38  77.557   0.764   8.435
  298    HG   SER  38           HG       SER  38  74.996  -0.198   9.150
  299    H    SER  39           HN       SER  39  75.785  -1.977   5.844
  300    HA   SER  39           HA       SER  39  74.330  -3.811   5.528
  301   1HB   SER  39          2HB       SER  39  73.633  -5.176   7.323
  302   2HB   SER  39          3HB       SER  39  75.210  -4.621   7.870
  303    HG   SER  39           HG       SER  39  73.535  -4.376   9.454
  304    H    LYS  40           HN       LYS  40  73.910  -1.004   7.467
  305    HA   LYS  40           HA       LYS  40  71.021  -1.017   7.464
  306   1HB   LYS  40          2HB       LYS  40  73.006   1.238   7.865
  307   2HB   LYS  40          3HB       LYS  40  71.292   1.316   8.249
  308   1HG   LYS  40          2HG       LYS  40  73.027  -0.864   9.393
  309   2HG   LYS  40          3HG       LYS  40  72.962   0.721  10.164
  310   1HD   LYS  40          2HD       LYS  40  70.523  -0.975   9.546
  311   2HD   LYS  40          3HD       LYS  40  71.317  -0.922  11.114
  312   1HE   LYS  40          2HE       LYS  40  69.725   1.208   9.725
  313   2HE   LYS  40          3HE       LYS  40  69.656   0.680  11.402
  314   1HZ   LYS  40           HZ2      LYS  40  71.883   1.653  11.713
  315   2HZ   LYS  40           HZ1      LYS  40  71.815   2.271  10.134
  316   3HZ   LYS  40           HZ3      LYS  40  70.708   2.806  11.302
  317    H    GLN  41           HN       GLN  41  69.652   0.260   6.112
  318    HA   GLN  41           HA       GLN  41  70.617   0.505   3.376
  319   1HB   GLN  41          2HB       GLN  41  68.000   1.327   4.669
  320   2HB   GLN  41          3HB       GLN  41  68.314   1.353   2.933
  321   1HG   GLN  41          2HG       GLN  41  68.786  -1.083   2.996
  322   2HG   GLN  41          3HG       GLN  41  68.426  -1.093   4.724
  323   1HE2  GLN  41          HE22      GLN  41  65.210  -0.051   2.392
  324   2HE2  GLN  41          HE21      GLN  41  66.716   0.675   2.104
  325    H    GLY  42           HN       GLY  42  71.397   2.331   2.411
  326   1HA   GLY  42          2HA       GLY  42  71.600   4.689   2.029
  327   2HA   GLY  42          3HA       GLY  42  70.793   4.985   3.568
  328    H    CYS  43           HN       CYS  43  72.998   2.659   4.235
  329    HA   CYS  43           HA       CYS  43  75.045   4.692   5.023
  330   1HB   CYS  43          2HB       CYS  43  74.264   2.058   6.292
  331   2HB   CYS  43          3HB       CYS  43  75.700   2.966   6.760
  332    HG   CYS  43           HG       CYS  43  74.082   4.983   7.398
  333    H    TYR  44           HN       TYR  44  77.149   4.395   4.309
  334    HA   TYR  44           HA       TYR  44  77.753   1.809   2.939
  335   1HB   TYR  44          2HB       TYR  44  78.584   4.589   2.041
  336   2HB   TYR  44          3HB       TYR  44  79.088   3.084   1.275
  337    HD1  TYR  44           HD1      TYR  44  77.342   1.568   0.262
  338    HD2  TYR  44           HD2      TYR  44  76.450   5.560   1.573
  339    HE1  TYR  44           HE1      TYR  44  75.261   1.548  -1.088
  340    HE2  TYR  44           HE2      TYR  44  74.364   5.532   0.235
  341    HH   TYR  44           HH       TYR  44  73.622   4.187  -1.952
  342    H    ALA  45           HN       ALA  45  79.993   1.082   3.187
  343    HA   ALA  45           HA       ALA  45  81.835   2.782   4.714
  344   1HB   ALA  45           HB3      ALA  45  80.300   1.735   6.435
  345   2HB   ALA  45           HB2      ALA  45  80.930   0.164   5.934
  346   3HB   ALA  45           HB1      ALA  45  82.010   1.358   6.650
  347    H    CYS  46           HN       CYS  46  83.950   2.186   4.295
  348    HA   CYS  46           HA       CYS  46  84.297  -0.402   2.863
  349   1HB   CYS  46          2HB       CYS  46  86.057   0.585   1.538
  350   2HB   CYS  46          3HB       CYS  46  84.659   1.656   1.452
  351    HG   CYS  46           HG       CYS  46  87.331   2.459   2.508
  352    H    SER  47           HN       SER  47  85.659  -1.809   3.754
  353    HA   SER  47           HA       SER  47  87.251  -0.857   6.091
  354   1HB   SER  47          2HB       SER  47  85.492  -2.649   6.415
  355   2HB   SER  47          3HB       SER  47  86.480  -3.705   5.412
  356    HG   SER  47           HG       SER  47  87.994  -3.763   6.942
  357    H    VAL  48           HN       VAL  48  89.442  -1.176   6.171
  358    HA   VAL  48           HA       VAL  48  90.672  -2.667   3.890
  359    HB   VAL  48           HB       VAL  48  90.950  -0.229   3.564
  360   1HG1  VAL  48          HG13      VAL  48  90.840   0.425   5.955
  361   2HG1  VAL  48          HG12      VAL  48  92.414  -0.328   6.222
  362   3HG1  VAL  48          HG11      VAL  48  92.276   1.080   5.171
  363   1HG2  VAL  48          HG22      VAL  48  92.776  -2.043   3.092
  364   2HG2  VAL  48          HG21      VAL  48  93.225  -0.341   3.009
  365   3HG2  VAL  48          HG23      VAL  48  93.627  -1.286   4.441
  366    H    VAL  49           HN       VAL  49  93.030  -3.158   4.424
  367    HA   VAL  49           HA       VAL  49  93.259  -3.919   7.313
  368    HB   VAL  49           HB       VAL  49  94.447  -5.271   4.878
  369   1HG1  VAL  49          HG13      VAL  49  95.064  -5.402   7.747
  370   2HG1  VAL  49          HG12      VAL  49  94.713  -6.975   7.034
  371   3HG1  VAL  49          HG11      VAL  49  96.005  -5.980   6.372
  372   1HG2  VAL  49          HG22      VAL  49  92.041  -5.701   6.561
  373   2HG2  VAL  49          HG21      VAL  49  92.297  -6.071   4.857
  374   3HG2  VAL  49          HG23      VAL  49  92.944  -7.137   6.099
  375    H    VAL  50           HN       VAL  50  95.096  -3.132   8.397
  376    HA   VAL  50           HA       VAL  50  97.175  -1.921   6.632
  377    HB   VAL  50           HB       VAL  50  95.636  -0.263   7.875
  378   1HG1  VAL  50          HG11      VAL  50  96.022  -1.743  10.026
  379   2HG1  VAL  50          HG13      VAL  50  97.442  -0.721  10.211
  380   3HG1  VAL  50          HG12      VAL  50  95.833   0.000  10.161
  381   1HG2  VAL  50          HG23      VAL  50  98.466  -0.290   7.346
  382   2HG2  VAL  50          HG22      VAL  50  97.350   1.073   7.287
  383   3HG2  VAL  50          HG21      VAL  50  98.159   0.662   8.799
  384    H    ASP  51           HN       ASP  51  99.281  -1.813   7.560
  385    HA   ASP  51           HA       ASP  51 100.319  -4.192   8.528
  386   1HB   ASP  51          2HB       ASP  51 102.363  -2.984   8.938
  387   2HB   ASP  51          3HB       ASP  51 101.579  -2.215   7.556
  388    H    GLY  52           HN       GLY  52  98.480  -1.994  10.222
  389   1HA   GLY  52          2HA       GLY  52  99.616  -2.773  12.849
  390   2HA   GLY  52          3HA       GLY  52  98.440  -1.482  12.589
  391    H    GLU  53           HN       GLU  53  96.375  -2.511  11.363
  392    HA   GLU  53           HA       GLU  53  95.648  -5.177  12.265
  393   1HB   GLU  53          2HB       GLU  53  94.545  -2.779  13.740
  394   2HB   GLU  53          3HB       GLU  53  93.751  -4.348  13.749
  395   1HG   GLU  53          2HG       GLU  53  96.061  -5.259  14.532
  396   2HG   GLU  53          3HG       GLU  53  96.411  -3.572  14.926
  397    H    VAL  54           HN       VAL  54  93.007  -5.201  12.126
  398    HA   VAL  54           HA       VAL  54  92.439  -4.260   9.398
  399    HB   VAL  54           HB       VAL  54  90.371  -5.688   9.756
  400   1HG1  VAL  54          HG12      VAL  54  92.462  -6.604   8.740
  401   2HG1  VAL  54          HG11      VAL  54  92.987  -7.082  10.356
  402   3HG1  VAL  54          HG13      VAL  54  91.554  -7.817   9.645
  403   1HG2  VAL  54          HG23      VAL  54  91.800  -6.275  12.354
  404   2HG2  VAL  54          HG22      VAL  54  90.220  -5.513  12.184
  405   3HG2  VAL  54          HG21      VAL  54  90.436  -7.201  11.737
  406    H    LYS  55           HN       LYS  55  91.413  -2.265   9.198
  407    HA   LYS  55           HA       LYS  55  89.706  -1.400  11.510
  408   1HB   LYS  55          2HB       LYS  55  91.380   0.281   9.628
  409   2HB   LYS  55          3HB       LYS  55  90.242   0.938  10.803
  410   1HG   LYS  55          2HG       LYS  55  92.189   0.987  12.052
  411   2HG   LYS  55          3HG       LYS  55  91.580  -0.610  12.478
  412   1HD   LYS  55          2HD       LYS  55  93.000  -1.646  10.800
  413   2HD   LYS  55          3HD       LYS  55  93.559  -0.064  10.254
  414   1HE   LYS  55          2HE       LYS  55  93.843  -0.845  13.142
  415   2HE   LYS  55          3HE       LYS  55  95.031  -1.398  11.962
  416   1HZ   LYS  55           HZ2      LYS  55  94.777   1.209  11.355
  417   2HZ   LYS  55           HZ1      LYS  55  94.588   1.235  13.043
  418   3HZ   LYS  55           HZ3      LYS  55  95.987   0.565  12.358
  419    H    HIS  56           HN       HIS  56  87.827  -0.096  10.963
  420    HA   HIS  56           HA       HIS  56  86.832  -0.687   8.208
  421   1HB   HIS  56          2HB       HIS  56  85.256  -0.164  10.744
  422   2HB   HIS  56          3HB       HIS  56  84.570  -0.553   9.165
  423    HD1  HIS  56           HD1      HIS  56  85.731  -2.899   8.129
  424    HD2  HIS  56           HD2      HIS  56  85.561  -2.446  12.268
  425    HE1  HIS  56           HE1      HIS  56  86.008  -5.217   9.113
  426    H    CYS  57           HN       CYS  57  86.457   1.036   6.907
  427    HA   CYS  57           HA       CYS  57  86.408   3.735   8.179
  428   1HB   CYS  57          2HB       CYS  57  88.174   3.403   6.470
  429   2HB   CYS  57          3HB       CYS  57  86.933   2.987   5.286
  430    HG   CYS  57           HG       CYS  57  87.171   5.820   6.593
  431    H    VAL  58           HN       VAL  58  84.524   4.817   8.152
  432    HA   VAL  58           HA       VAL  58  82.211   3.530   6.891
  433    HB   VAL  58           HB       VAL  58  82.344   4.668   9.238
  434   1HG1  VAL  58          HG13      VAL  58  83.229   6.823   8.144
  435   2HG1  VAL  58          HG12      VAL  58  81.576   7.082   7.581
  436   3HG1  VAL  58          HG11      VAL  58  81.915   7.015   9.309
  437   1HG2  VAL  58          HG22      VAL  58  80.087   5.093   7.252
  438   2HG2  VAL  58          HG21      VAL  58  80.249   3.783   8.423
  439   3HG2  VAL  58          HG23      VAL  58  79.925   5.428   8.973
  440    H    ILE  59           HN       ILE  59  81.129   4.251   5.125
  441    HA   ILE  59           HA       ILE  59  82.077   6.774   3.834
  442    HB   ILE  59           HB       ILE  59  80.995   4.281   2.471
  443   1HG1  ILE  59          HG12      ILE  59  83.234   3.881   3.412
  444   2HG1  ILE  59          HG11      ILE  59  83.338   4.008   1.657
  445   1HG2  ILE  59          HG22      ILE  59  80.657   6.623   1.419
  446   2HG2  ILE  59          HG21      ILE  59  82.404   6.619   1.176
  447   3HG2  ILE  59          HG23      ILE  59  81.405   5.382   0.414
  448   1HD1  ILE  59          HD12      ILE  59  83.673   6.610   2.309
  449   2HD1  ILE  59          HD11      ILE  59  84.353   5.862   3.752
  450   3HD1  ILE  59          HD13      ILE  59  85.025   5.486   2.162
  451    H    ASN  60           HN       ASN  60  80.463   8.292   3.633
  452    HA   ASN  60           HA       ASN  60  77.634   7.283   3.834
  453   1HB   ASN  60          2HB       ASN  60  78.815   9.877   4.869
  454   2HB   ASN  60          3HB       ASN  60  77.112   9.425   4.968
  455   1HD2  ASN  60          HD22      ASN  60  78.053   6.568   7.211
  456   2HD2  ASN  60          HD21      ASN  60  77.333   6.685   5.676
  457    H    LYS  61           HN       LYS  61  76.040   9.002   2.911
  458    HA   LYS  61           HA       LYS  61  77.305  10.372   0.595
  459   1HB   LYS  61          2HB       LYS  61  76.179   8.197  -0.097
  460   2HB   LYS  61          3HB       LYS  61  74.652   8.899   0.432
  461   1HG   LYS  61          2HG       LYS  61  74.869  10.718  -1.170
  462   2HG   LYS  61          3HG       LYS  61  76.482  10.168  -1.624
  463   1HD   LYS  61          2HD       LYS  61  74.951   9.401  -3.315
  464   2HD   LYS  61          3HD       LYS  61  75.439   7.994  -2.373
  465   1HE   LYS  61          2HE       LYS  61  73.375   8.023  -1.123
  466   2HE   LYS  61          3HE       LYS  61  72.917   9.582  -1.820
  467   1HZ   LYS  61           HZ3      LYS  61  73.487   7.351  -3.628
  468   2HZ   LYS  61           HZ2      LYS  61  72.005   7.353  -2.797
  469   3HZ   LYS  61           HZ1      LYS  61  72.412   8.648  -3.818
  470    H    THR  62           HN       THR  62  76.929  11.970   2.576
  471    HA   THR  62           HA       THR  62  74.347  13.348   2.021
  472    HB   THR  62           HB       THR  62  75.554  13.059   4.795
  473    HG1  THR  62           HG1      THR  62  74.633  11.113   3.878
  474   1HG2  THR  62          HG21      THR  62  73.381  14.658   3.612
  475   2HG2  THR  62          HG23      THR  62  72.901  13.759   5.053
  476   3HG2  THR  62          HG22      THR  62  74.250  14.891   5.128
  477    H    ALA  63           HN       ALA  63  74.533  15.696   2.935
  478    HA   ALA  63           HA       ALA  63  76.542  17.137   1.675
  479   1HB   ALA  63           HB3      ALA  63  75.103  17.767   4.264
  480   2HB   ALA  63           HB2      ALA  63  76.057  18.941   3.354
  481   3HB   ALA  63           HB1      ALA  63  74.609  18.239   2.639
  482    H    THR  64           HN       THR  64  77.024  14.979   4.205
  483    HA   THR  64           HA       THR  64  79.195  16.397   5.540
  484    HB   THR  64           HB       THR  64  78.413  13.469   5.584
  485    HG1  THR  64           HG1      THR  64  76.883  15.010   6.426
  486   1HG2  THR  64          HG23      THR  64  80.693  14.913   6.681
  487   2HG2  THR  64          HG22      THR  64  79.732  14.153   7.950
  488   3HG2  THR  64          HG21      THR  64  80.384  13.179   6.636
  489    H    GLY  65           HN       GLY  65  78.875  14.408   2.720
  490   1HA   GLY  65          2HA       GLY  65  80.535  14.048   1.073
  491   2HA   GLY  65          3HA       GLY  65  81.718  14.795   2.145
  492    H    TYR  66           HN       TYR  66  79.688  11.853   1.963
  493    HA   TYR  66           HA       TYR  66  80.114   9.761   2.958
  494   1HB   TYR  66          2HB       TYR  66  82.783   9.878   1.633
  495   2HB   TYR  66          3HB       TYR  66  81.558   8.613   1.559
  496    HD1  TYR  66           HD2      TYR  66  82.462  12.001   0.349
  497    HD2  TYR  66           HD1      TYR  66  79.864   8.618  -0.165
  498    HE1  TYR  66           HE2      TYR  66  81.670  12.939  -1.801
  499    HE2  TYR  66           HE1      TYR  66  79.067   9.564  -2.318
  500    HH   TYR  66           HH       TYR  66  79.190  12.476  -3.212
  501    H    GLY  67           HN       GLY  67  80.995  11.957   4.691
  502   1HA   GLY  67          2HA       GLY  67  82.047  11.814   6.852
  503   2HA   GLY  67          3HA       GLY  67  82.951  10.407   6.285
  504    H    PHE  68           HN       PHE  68  83.965  11.493   3.873
  505    HA   PHE  68           HA       PHE  68  86.013  13.336   4.985
  506   1HB   PHE  68          2HB       PHE  68  85.905  11.788   2.377
  507   2HB   PHE  68          3HB       PHE  68  87.232  12.844   2.858
  508    HD1  PHE  68           HD2      PHE  68  88.653  12.293   4.781
  509    HD2  PHE  68           HD1      PHE  68  85.584   9.616   3.418
  510    HE1  PHE  68           HE2      PHE  68  89.684  10.456   6.077
  511    HE2  PHE  68           HE1      PHE  68  86.619   7.770   4.723
  512    HZ   PHE  68           HZ       PHE  68  88.680   8.193   6.044
  513    H    ALA  69           HN       ALA  69  85.848  15.482   4.558
  514    HA   ALA  69           HA       ALA  69  84.417  16.283   2.065
  515   1HB   ALA  69           HB2      ALA  69  83.892  17.041   4.870
  516   2HB   ALA  69           HB1      ALA  69  83.935  18.386   3.730
  517   3HB   ALA  69           HB3      ALA  69  82.812  17.053   3.478
  518    H    GLU  70           HN       GLU  70  87.348  16.173   3.419
  519    HA   GLU  70           HA       GLU  70  88.101  18.827   2.278
  520   1HB   GLU  70          2HB       GLU  70  89.876  18.989   3.967
  521   2HB   GLU  70          3HB       GLU  70  88.293  18.854   4.731
  522   1HG   GLU  70          2HG       GLU  70  88.717  16.336   4.865
  523   2HG   GLU  70          3HG       GLU  70  90.388  16.693   4.419
  524    HA   PRO  71           HA       PRO  71  91.074  15.196   1.027
  525   1HB   PRO  71          2HB       PRO  71  89.716  13.734  -0.853
  526   2HB   PRO  71          3HB       PRO  71  89.794  13.286   0.863
  527   1HG   PRO  71          2HG       PRO  71  87.602  14.595  -0.655
  528   2HG   PRO  71          3HG       PRO  71  87.522  13.416   0.662
  529   1HD   PRO  71          2HD       PRO  71  87.075  16.106   1.009
  530   2HD   PRO  71          3HD       PRO  71  87.652  15.019   2.294
  531    H    TYR  72           HN       TYR  72  88.669  15.782  -1.557
  532    HA   TYR  72           HA       TYR  72  90.567  17.642  -2.878
  533   1HB   TYR  72          2HB       TYR  72  89.421  15.166  -4.180
  534   2HB   TYR  72          3HB       TYR  72  90.273  16.450  -5.034
  535    HD1  TYR  72           HD2      TYR  72  92.669  16.916  -4.548
  536    HD2  TYR  72           HD1      TYR  72  90.601  13.563  -2.838
  537    HE1  TYR  72           HE2      TYR  72  94.843  15.883  -3.952
  538    HE2  TYR  72           HE1      TYR  72  92.772  12.525  -2.240
  539    HH   TYR  72           HH       TYR  72  95.151  13.350  -1.788
  540    H    ASN  73           HN       ASN  73  88.475  18.733  -1.803
  541    HA   ASN  73           HA       ASN  73  86.549  19.987  -2.240
  542   1HB   ASN  73          2HB       ASN  73  87.410  19.429  -5.096
  543   2HB   ASN  73          3HB       ASN  73  86.210  20.630  -4.618
  544   1HD2  ASN  73          HD22      ASN  73  88.666  22.794  -3.091
  545   2HD2  ASN  73          HD21      ASN  73  87.076  22.246  -2.879
  546    H    LEU  74           HN       LEU  74  85.955  17.375  -1.590
  547    HA   LEU  74           HA       LEU  74  84.223  15.824  -1.724
  548   1HB   LEU  74          2HB       LEU  74  82.994  17.954  -3.506
  549   2HB   LEU  74          3HB       LEU  74  82.144  16.530  -2.909
  550    HG   LEU  74           HG       LEU  74  83.453  18.610  -1.137
  551   1HD1  LEU  74          HD11      LEU  74  80.537  18.150  -1.863
  552   2HD1  LEU  74          HD13      LEU  74  81.111  19.297  -0.653
  553   3HD1  LEU  74          HD12      LEU  74  81.514  19.534  -2.352
  554   1HD2  LEU  74          HD22      LEU  74  81.939  16.049  -0.703
  555   2HD2  LEU  74          HD21      LEU  74  83.356  16.661   0.153
  556   3HD2  LEU  74          HD23      LEU  74  81.766  17.348   0.477
  557    H    TYR  75           HN       TYR  75  84.631  13.981  -2.759
  558    HA   TYR  75           HA       TYR  75  85.794  13.713  -5.334
  559   1HB   TYR  75          2HB       TYR  75  84.076  11.743  -3.794
  560   2HB   TYR  75          3HB       TYR  75  85.070  11.338  -5.194
  561    HD1  TYR  75           HD1      TYR  75  87.574  11.986  -5.085
  562    HD2  TYR  75           HD2      TYR  75  85.032  11.708  -1.638
  563    HE1  TYR  75           HE1      TYR  75  89.573  11.789  -3.631
  564    HE2  TYR  75           HE2      TYR  75  87.029  11.496  -0.186
  565    HH   TYR  75           HH       TYR  75  90.052  10.768  -1.300
  566    H    SER  76           HN       SER  76  84.931  13.696  -7.372
  567    HA   SER  76           HA       SER  76  82.257  14.641  -7.809
  568   1HB   SER  76          2HB       SER  76  84.235  13.367  -9.716
  569   2HB   SER  76          3HB       SER  76  82.737  14.147 -10.212
  570    HG   SER  76           HG       SER  76  85.107  15.236  -9.246
  571    H    SER  77           HN       SER  77  83.711  11.406  -7.970
  572    HA   SER  77           HA       SER  77  80.961  10.273  -7.921
  573   1HB   SER  77          2HB       SER  77  81.540   8.646  -9.674
  574   2HB   SER  77          3HB       SER  77  81.686  10.289 -10.294
  575    HG   SER  77           HG       SER  77  83.493   8.679 -10.634
  576    H    LEU  78           HN       LEU  78  80.979   7.970  -7.258
  577    HA   LEU  78           HA       LEU  78  82.676   7.482  -5.018
  578   1HB   LEU  78          2HB       LEU  78  80.957   5.639  -6.692
  579   2HB   LEU  78          3HB       LEU  78  81.782   5.117  -5.219
  580    HG   LEU  78           HG       LEU  78  79.919   7.498  -5.316
  581   1HD1  LEU  78          HD12      LEU  78  79.070   4.973  -5.776
  582   2HD1  LEU  78          HD11      LEU  78  79.073   4.968  -4.013
  583   3HD1  LEU  78          HD13      LEU  78  78.114   6.162  -4.889
  584   1HD2  LEU  78          HD21      LEU  78  81.575   6.135  -3.282
  585   2HD2  LEU  78          HD23      LEU  78  80.987   7.796  -3.325
  586   3HD2  LEU  78          HD22      LEU  78  79.928   6.499  -2.770
  587    H    LYS  79           HN       LYS  79  82.845   6.369  -8.400
  588    HA   LYS  79           HA       LYS  79  84.998   4.540  -8.068
  589   1HB   LYS  79          2HB       LYS  79  84.125   6.258 -10.396
  590   2HB   LYS  79          3HB       LYS  79  85.478   5.125 -10.517
  591   1HG   LYS  79          2HG       LYS  79  84.038   3.271  -9.855
  592   2HG   LYS  79          3HG       LYS  79  82.686   4.375  -9.607
  593   1HD   LYS  79          2HD       LYS  79  83.002   5.046 -12.062
  594   2HD   LYS  79          3HD       LYS  79  84.027   3.619 -12.199
  595   1HE   LYS  79          2HE       LYS  79  82.252   2.141 -11.855
  596   2HE   LYS  79          3HE       LYS  79  81.290   3.337 -10.981
  597   1HZ   LYS  79           HZ1      LYS  79  81.181   4.579 -13.145
  598   2HZ   LYS  79           HZ3      LYS  79  81.811   3.193 -13.891
  599   3HZ   LYS  79           HZ2      LYS  79  80.312   3.120 -13.093
  600    H    GLU  80           HN       GLU  80  84.968   8.044  -8.590
  601    HA   GLU  80           HA       GLU  80  87.806   8.349  -8.808
  602   1HB   GLU  80          2HB       GLU  80  86.067  10.080  -9.395
  603   2HB   GLU  80          3HB       GLU  80  85.825  10.331  -7.666
  604   1HG   GLU  80          2HG       GLU  80  88.230  10.896  -7.431
  605   2HG   GLU  80          3HG       GLU  80  88.424  10.716  -9.175
  606    H    LEU  81           HN       LEU  81  85.595   8.226  -6.032
  607    HA   LEU  81           HA       LEU  81  87.416   9.071  -4.020
  608   1HB   LEU  81          2HB       LEU  81  84.999   8.761  -3.606
  609   2HB   LEU  81          3HB       LEU  81  85.193   7.017  -3.790
  610    HG   LEU  81           HG       LEU  81  86.993   8.381  -1.838
  611   1HD1  LEU  81          HD11      LEU  81  84.759   9.394  -1.415
  612   2HD1  LEU  81          HD13      LEU  81  84.084   7.773  -1.238
  613   3HD1  LEU  81          HD12      LEU  81  85.288   8.359  -0.091
  614   1HD2  LEU  81          HD21      LEU  81  85.499   5.746  -2.012
  615   2HD2  LEU  81          HD23      LEU  81  87.242   5.998  -2.086
  616   3HD2  LEU  81          HD22      LEU  81  86.384   6.239  -0.570
  617    H    VAL  82           HN       VAL  82  86.753   5.771  -5.254
  618    HA   VAL  82           HA       VAL  82  88.569   4.485  -3.472
  619    HB   VAL  82           HB       VAL  82  87.693   3.661  -6.252
  620   1HG1  VAL  82          HG12      VAL  82  89.021   2.097  -4.021
  621   2HG1  VAL  82          HG11      VAL  82  88.303   1.371  -5.459
  622   3HG1  VAL  82          HG13      VAL  82  89.696   2.438  -5.617
  623   1HG2  VAL  82          HG22      VAL  82  86.631   3.088  -3.476
  624   2HG2  VAL  82          HG21      VAL  82  85.786   3.889  -4.803
  625   3HG2  VAL  82          HG23      VAL  82  86.157   2.168  -4.905
  626    H    LEU  83           HN       LEU  83  89.057   5.859  -6.729
  627    HA   LEU  83           HA       LEU  83  91.749   4.965  -7.038
  628   1HB   LEU  83          2HB       LEU  83  90.278   7.348  -8.173
  629   2HB   LEU  83          3HB       LEU  83  91.924   6.924  -8.644
  630    HG   LEU  83           HG       LEU  83  89.632   4.959  -8.780
  631   1HD1  LEU  83          HD12      LEU  83  90.648   6.972 -10.789
  632   2HD1  LEU  83          HD11      LEU  83  89.804   5.508 -11.292
  633   3HD1  LEU  83          HD13      LEU  83  88.984   6.690 -10.272
  634   1HD2  LEU  83          HD21      LEU  83  92.491   5.073  -9.747
  635   2HD2  LEU  83          HD23      LEU  83  91.680   3.789  -8.857
  636   3HD2  LEU  83          HD22      LEU  83  91.314   4.038 -10.560
  637    H    HIS  84           HN       HIS  84  90.500   8.026  -5.651
  638    HA   HIS  84           HA       HIS  84  93.083   9.188  -5.227
  639   1HB   HIS  84          2HB       HIS  84  90.360   9.671  -4.059
  640   2HB   HIS  84          3HB       HIS  84  91.762  10.502  -3.391
  641    HD1  HIS  84           HD1      HIS  84  89.596  10.315  -6.437
  642    HD2  HIS  84           HD2      HIS  84  92.992  12.386  -5.187
  643    HE1  HIS  84           HE1      HIS  84  89.953  12.179  -8.110
  644    H    TYR  85           HN       TYR  85  91.038   7.224  -3.029
  645    HA   TYR  85           HA       TYR  85  92.869   7.456  -0.832
  646   1HB   TYR  85          2HB       TYR  85  90.662   5.526  -1.500
  647   2HB   TYR  85          3HB       TYR  85  91.733   5.208  -0.139
  648    HD1  TYR  85           HD2      TYR  85  89.709   7.982  -1.624
  649    HD2  TYR  85           HD1      TYR  85  91.223   6.149   1.957
  650    HE1  TYR  85           HE2      TYR  85  88.438   9.607  -0.252
  651    HE2  TYR  85           HE1      TYR  85  89.952   7.780   3.329
  652    HH   TYR  85           HH       TYR  85  88.953  10.454   2.561
  653    H    GLN  86           HN       GLN  86  92.839   5.531  -3.705
  654    HA   GLN  86           HA       GLN  86  94.634   3.467  -2.815
  655   1HB   GLN  86          2HB       GLN  86  93.408   3.043  -4.818
  656   2HB   GLN  86          3HB       GLN  86  93.925   4.567  -5.544
  657   1HG   GLN  86          2HG       GLN  86  96.155   3.795  -5.838
  658   2HG   GLN  86          3HG       GLN  86  95.897   2.421  -4.770
  659   1HE2  GLN  86          HE22      GLN  86  95.602   1.449  -8.470
  660   2HE2  GLN  86          HE21      GLN  86  96.757   2.400  -7.668
  661    H    HIS  87           HN       HIS  87  95.102   6.714  -4.110
  662    HA   HIS  87           HA       HIS  87  98.041   6.307  -4.157
  663   1HB   HIS  87          2HB       HIS  87  96.331   8.670  -5.001
  664   2HB   HIS  87          3HB       HIS  87  98.086   8.597  -5.149
  665    HD1  HIS  87           HD1      HIS  87  94.939   7.006  -6.491
  666    HD2  HIS  87           HD2      HIS  87  99.031   7.019  -7.292
  667    HE1  HIS  87           HE1      HIS  87  95.239   5.804  -8.700
  668    H    THR  88           HN       THR  88  95.598   7.452  -2.082
  669    HA   THR  88           HA       THR  88  97.573   9.050  -0.506
  670    HB   THR  88           HB       THR  88  94.547   8.954  -0.292
  671    HG1  THR  88           HG1      THR  88  94.530  10.511  -1.696
  672   1HG2  THR  88          HG21      THR  88  96.717  10.392   1.176
  673   2HG2  THR  88          HG23      THR  88  95.195  11.237   0.894
  674   3HG2  THR  88          HG22      THR  88  95.206   9.717   1.786
  675    H    SER  89           HN       SER  89  98.280   8.200   1.416
  676    HA   SER  89           HA       SER  89  97.402   5.554   2.214
  677   1HB   SER  89          2HB       SER  89  99.732   6.517   2.538
  678   2HB   SER  89          3HB       SER  89  99.059   7.512   3.824
  679    HG   SER  89           HG       SER  89  99.956   5.134   4.120
  680    H    LEU  90           HN       LEU  90  95.982   5.027   3.888
  681    HA   LEU  90           HA       LEU  90  94.034   7.010   4.656
  682   1HB   LEU  90          2HB       LEU  90  94.553   4.161   5.496
  683   2HB   LEU  90          3HB       LEU  90  93.302   5.133   6.275
  684    HG   LEU  90           HG       LEU  90  92.477   5.654   3.889
  685   1HD1  LEU  90          HD12      LEU  90  94.407   3.387   3.383
  686   2HD1  LEU  90          HD11      LEU  90  93.036   3.687   2.319
  687   3HD1  LEU  90          HD13      LEU  90  94.276   4.924   2.527
  688   1HD2  LEU  90          HD23      LEU  90  92.025   3.432   5.652
  689   2HD2  LEU  90          HD22      LEU  90  90.879   4.221   4.570
  690   3HD2  LEU  90          HD21      LEU  90  91.861   2.882   3.990
  691    H    VAL  91           HN       VAL  91  97.098   6.180   5.992
  692    HA   VAL  91           HA       VAL  91  97.457   6.325   8.563
  693    HB   VAL  91           HB       VAL  91  98.159   8.702   6.803
  694   1HG1  VAL  91          HG12      VAL  91  98.195   9.258   9.252
  695   2HG1  VAL  91          HG11      VAL  91  99.329   7.929   9.490
  696   3HG1  VAL  91          HG13      VAL  91  99.786   9.315   8.499
  697   1HG2  VAL  91          HG22      VAL  91  99.630   6.204   7.691
  698   2HG2  VAL  91          HG21      VAL  91  99.117   6.611   6.054
  699   3HG2  VAL  91          HG23      VAL  91 100.393   7.546   6.831
  700    H    GLN  92           HN       GLN  92  96.212   9.364   7.177
  701    HA   GLN  92           HA       GLN  92  95.036  11.123   8.229
  702   1HB   GLN  92          2HB       GLN  92  93.276   8.692   8.534
  703   2HB   GLN  92          3HB       GLN  92  92.716  10.357   8.730
  704   1HG   GLN  92          2HG       GLN  92  93.391  10.911   6.472
  705   2HG   GLN  92          3HG       GLN  92  94.081   9.299   6.249
  706   1HE2  GLN  92          HE22      GLN  92  90.668   9.191   4.820
  707   2HE2  GLN  92          HE21      GLN  92  92.124   9.987   4.464
  708    H    HIS  93           HN       HIS  93  92.950  10.411  10.352
  709    HA   HIS  93           HA       HIS  93  94.284  11.412  12.610
  710   1HB   HIS  93          2HB       HIS  93  91.796  11.213  12.340
  711   2HB   HIS  93          3HB       HIS  93  91.947   9.480  12.636
  712    HD1  HIS  93           HD1      HIS  93  92.936  12.743  14.373
  713    HD2  HIS  93           HD2      HIS  93  91.773   8.850  15.304
  714    HE1  HIS  93           HE1      HIS  93  92.743  12.634  16.899
  715    H    ASN  94           HN       ASN  94  93.565   8.016  11.782
  716    HA   ASN  94           HA       ASN  94  95.162   6.959  13.969
  717   1HB   ASN  94          2HB       ASN  94  94.248   5.704  11.350
  718   2HB   ASN  94          3HB       ASN  94  95.049   4.818  12.647
  719   1HD2  ASN  94          HD22      ASN  94  91.921   6.119  14.621
  720   2HD2  ASN  94          HD21      ASN  94  93.420   6.902  14.464
  721    H    ASP  95           HN       ASP  95  97.076   8.308  13.675
  722    HA   ASP  95           HA       ASP  95  98.605   8.693  11.414
  723   1HB   ASP  95          2HB       ASP  95  99.168   9.507  13.717
  724   2HB   ASP  95          3HB       ASP  95  99.754   7.887  14.100
  725    H    SER  96           HN       SER  96  97.723   5.699  12.733
  726    HA   SER  96           HA       SER  96 100.032   4.358  11.458
  727   1HB   SER  96          2HB       SER  96  99.280   2.330  12.644
  728   2HB   SER  96          3HB       SER  96  99.487   3.671  13.767
  729    HG   SER  96           HG       SER  96  97.207   4.029  13.562
  730    H    LEU  97           HN       LEU  97  97.123   5.395  10.329
  731    HA   LEU  97           HA       LEU  97  96.326   2.894   9.042
  732   1HB   LEU  97          2HB       LEU  97  95.400   5.726   8.945
  733   2HB   LEU  97          3HB       LEU  97  95.082   4.720   7.531
  734    HG   LEU  97           HG       LEU  97  94.440   3.784  10.323
  735   1HD1  LEU  97          HD13      LEU  97  93.259   5.997   9.342
  736   2HD1  LEU  97          HD12      LEU  97  92.286   4.782   8.511
  737   3HD1  LEU  97          HD11      LEU  97  92.364   4.795  10.272
  738   1HD2  LEU  97          HD22      LEU  97  94.392   2.642   7.697
  739   2HD2  LEU  97          HD21      LEU  97  93.895   1.900   9.218
  740   3HD2  LEU  97          HD23      LEU  97  92.728   2.803   8.255
  741    H    ASN  98           HN       ASN  98  98.979   3.126   8.614
  742    HA   ASN  98           HA       ASN  98  99.567   4.527   6.137
  743   1HB   ASN  98          2HB       ASN  98 101.206   4.016   7.994
  744   2HB   ASN  98          3HB       ASN  98 101.179   2.336   7.452
  745   1HD2  ASN  98          HD22      ASN  98 103.948   4.247   5.715
  746   2HD2  ASN  98          HD21      ASN  98 103.530   4.043   7.350
  747    H    VAL  99           HN       VAL  99  97.841   3.583   4.832
  748    HA   VAL  99           HA       VAL  99  98.796   1.277   3.321
  749    HB   VAL  99           HB       VAL  99  97.645   0.090   5.123
  750   1HG1  VAL  99          HG12      VAL  99  96.170   2.182   5.608
  751   2HG1  VAL  99          HG11      VAL  99  95.090   1.514   4.381
  752   3HG1  VAL  99          HG13      VAL  99  95.453   0.588   5.837
  753   1HG2  VAL  99          HG21      VAL  99  97.208  -0.334   2.491
  754   2HG2  VAL  99          HG23      VAL  99  96.465  -1.318   3.753
  755   3HG2  VAL  99          HG22      VAL  99  95.554  -0.006   3.009
  756    H    THR 100           HN       THR 100  97.348   0.917   1.396
  757    HA   THR 100           HA       THR 100  95.666   3.326   0.850
  758    HB   THR 100           HB       THR 100  96.563   3.439  -1.403
  759    HG1  THR 100           HG1      THR 100  97.956   1.122  -0.579
  760   1HG2  THR 100          HG21      THR 100  98.164   3.774   0.965
  761   2HG2  THR 100          HG23      THR 100  99.195   3.264  -0.372
  762   3HG2  THR 100          HG22      THR 100  98.199   4.708  -0.525
  763    H    LEU 101           HN       LEU 101  93.959   2.951  -0.730
  764    HA   LEU 101           HA       LEU 101  92.966   0.162  -0.639
  765   1HB   LEU 101          2HB       LEU 101  91.610   2.520  -1.966
  766   2HB   LEU 101          3HB       LEU 101  90.864   1.063  -1.299
  767    HG   LEU 101           HG       LEU 101  92.311   3.181   0.313
  768   1HD1  LEU 101          HD12      LEU 101  89.933   3.605  -0.746
  769   2HD1  LEU 101          HD11      LEU 101  89.391   2.495   0.511
  770   3HD1  LEU 101          HD13      LEU 101  90.204   3.995   0.955
  771   1HD2  LEU 101          HD22      LEU 101  90.906   0.613   1.035
  772   2HD2  LEU 101          HD21      LEU 101  92.563   1.060   1.411
  773   3HD2  LEU 101          HD23      LEU 101  91.218   1.865   2.215
  774    H    ALA 102           HN       ALA 102  95.165   0.128  -2.135
  775    HA   ALA 102           HA       ALA 102  94.550   0.633  -4.956
  776   1HB   ALA 102           HB2      ALA 102  96.817   0.853  -3.559
  777   2HB   ALA 102           HB1      ALA 102  97.009  -0.805  -4.122
  778   3HB   ALA 102           HB3      ALA 102  96.816   0.500  -5.291
  779    H    TYR 103           HN       TYR 103  94.376  -2.123  -2.818
  780    HA   TYR 103           HA       TYR 103  94.234  -3.828  -5.270
  781   1HB   TYR 103          2HB       TYR 103  96.061  -4.462  -3.759
  782   2HB   TYR 103          3HB       TYR 103  94.907  -4.656  -2.438
  783    HD1  TYR 103           HD2      TYR 103  95.713  -5.839  -5.871
  784    HD2  TYR 103           HD1      TYR 103  93.719  -6.670  -2.175
  785    HE1  TYR 103           HE2      TYR 103  95.235  -8.143  -6.652
  786    HE2  TYR 103           HE1      TYR 103  93.235  -8.981  -2.941
  787    HH   TYR 103           HH       TYR 103  94.100 -10.604  -4.558
  788    HA   PRO 104           HA       PRO 104  89.846  -3.907  -4.029
  789   1HB   PRO 104          2HB       PRO 104  89.662  -5.787  -6.288
  790   2HB   PRO 104          3HB       PRO 104  88.797  -4.271  -6.003
  791   1HG   PRO 104          2HG       PRO 104  90.739  -4.542  -7.866
  792   2HG   PRO 104          3HG       PRO 104  90.358  -3.015  -7.060
  793   1HD   PRO 104          2HD       PRO 104  92.686  -4.822  -6.667
  794   2HD   PRO 104          3HD       PRO 104  92.551  -3.070  -6.404
  795    H    VAL 105           HN       VAL 105  88.655  -5.522  -2.923
  796    HA   VAL 105           HA       VAL 105  90.162  -7.786  -1.961
  797    HB   VAL 105           HB       VAL 105  88.380  -6.712  -0.625
  798   1HG1  VAL 105          HG12      VAL 105  86.939  -6.954  -3.045
  799   2HG1  VAL 105          HG11      VAL 105  86.136  -8.030  -1.902
  800   3HG1  VAL 105          HG13      VAL 105  86.334  -6.326  -1.513
  801   1HG2  VAL 105          HG21      VAL 105  89.040  -9.097  -0.243
  802   2HG2  VAL 105          HG23      VAL 105  87.356  -8.792   0.184
  803   3HG2  VAL 105          HG22      VAL 105  87.749  -9.601  -1.332
  804    H    TYR 106           HN       TYR 106  88.105  -7.240  -4.705
  805    HA   TYR 106           HA       TYR 106  88.387 -10.124  -5.414
  806   1HB   TYR 106          2HB       TYR 106  85.976  -8.339  -5.789
  807   2HB   TYR 106          3HB       TYR 106  86.194  -9.846  -6.681
  808    HD1  TYR 106           HD1      TYR 106  86.794 -11.949  -5.232
  809    HD2  TYR 106           HD2      TYR 106  84.921  -8.400  -3.702
  810    HE1  TYR 106           HE1      TYR 106  85.949 -13.237  -3.293
  811    HE2  TYR 106           HE2      TYR 106  84.077  -9.685  -1.760
  812    HH   TYR 106           HH       TYR 106  83.645 -12.644  -1.557
  813    H    ALA 107           HN       ALA 107  90.382  -8.715  -6.312
  814    HA   ALA 107           HA       ALA 107  89.873  -7.140  -8.676
  815   1HB   ALA 107           HB2      ALA 107  92.052  -7.346  -7.206
  816   2HB   ALA 107           HB1      ALA 107  92.429  -8.673  -8.309
  817   3HB   ALA 107           HB3      ALA 107  92.188  -7.045  -8.936
  818    H    GLN 108           HN       GLN 108  89.433 -10.396  -8.086
  819    HA   GLN 108           HA       GLN 108  89.987 -11.111 -10.931
  820   1HB   GLN 108          2HB       GLN 108  89.597 -12.889  -8.500
  821   2HB   GLN 108          3HB       GLN 108  89.830 -13.477 -10.144
  822   1HG   GLN 108          2HG       GLN 108  92.028 -12.552 -10.265
  823   2HG   GLN 108          3HG       GLN 108  91.792 -11.630  -8.778
  824   1HE2  GLN 108          HE22      GLN 108  93.697 -14.578  -7.679
  825   2HE2  GLN 108          HE21      GLN 108  93.975 -13.142  -8.541
  826    H    GLN 109           HN       GLN 109  88.285 -11.763 -12.241
  827    HA   GLN 109           HA       GLN 109  85.588 -11.117 -11.506
  828   1HB   GLN 109          2HB       GLN 109  84.964 -12.112 -13.639
  829   2HB   GLN 109          3HB       GLN 109  86.464 -11.214 -13.865
  830   1HG   GLN 109          2HG       GLN 109  87.770 -13.287 -13.679
  831   2HG   GLN 109          3HG       GLN 109  86.298 -14.208 -13.359
  832   1HE2  GLN 109          HE22      GLN 109  87.356 -13.713 -17.154
  833   2HE2  GLN 109          HE21      GLN 109  88.415 -13.562 -15.837
  834    H    ARG 110           HN       ARG 110  83.877 -12.480 -10.906
  835    HA   ARG 110           HA       ARG 110  84.688 -15.021  -9.638
  836   1HB   ARG 110          2HB       ARG 110  82.025 -13.555  -9.677
  837   2HB   ARG 110          3HB       ARG 110  82.387 -14.984  -8.705
  838   1HG   ARG 110          2HG       ARG 110  84.150 -13.764  -7.516
  839   2HG   ARG 110          3HG       ARG 110  83.875 -12.347  -8.530
  840   1HD   ARG 110          2HD       ARG 110  82.586 -11.800  -6.684
  841   2HD   ARG 110          3HD       ARG 110  81.390 -12.617  -7.688
  842    HE   ARG 110           HE       ARG 110  82.499 -14.654  -6.155
  843   1HH1  ARG 110          HH11      ARG 110  81.006 -11.598  -5.604
  844   2HH1  ARG 110          HH12      ARG 110  80.362 -12.036  -4.058
  845   1HH2  ARG 110           NH2      ARG 110  80.700 -14.110  -3.236
  846   1HH2  ARG 110          HH21      ARG 110  80.700 -14.110  -3.236
  847   1HH2  ARG 110          HH22      ARG 110  80.700 -14.110  -3.236
  848   2HH2  ARG 110           NH2      ARG 110  80.700 -14.110  -3.236
  849   2HH2  ARG 110          HH21      ARG 110  80.700 -14.110  -3.236
  850   2HH2  ARG 110          HH22      ARG 110  80.700 -14.110  -3.236
  851    H    ARG 111           HN       ARG 111  84.280 -16.987 -10.578
  852    HA   ARG 111           HA       ARG 111  82.684 -16.972 -13.101
  853   1HB   ARG 111          2HB       ARG 111  85.033 -17.777 -13.297
  854   2HB   ARG 111          3HB       ARG 111  84.694 -19.025 -12.098
  855   1HG   ARG 111          2HG       ARG 111  84.379 -20.192 -14.103
  856   2HG   ARG 111          3HG       ARG 111  82.734 -19.677 -13.726
  857   1HD   ARG 111          2HD       ARG 111  82.969 -17.749 -15.226
  858   2HD   ARG 111          3HD       ARG 111  84.642 -18.186 -15.560
  859    HE   ARG 111           HE       ARG 111  83.195 -20.450 -16.274
  860   1HH1  ARG 111          HH21      ARG 111  83.154 -17.085 -16.994
  861   2HH1  ARG 111          HH22      ARG 111  82.526 -17.291 -18.598
  862   1HH2  ARG 111          HH11      ARG 111  82.337 -20.754 -18.358
  863   2HH2  ARG 111          HH12      ARG 111  82.060 -19.376 -19.371
   
  No H/Q in entry =         859
  Start of MODEL   13
    1   1H    GLU   1           HT1      GLU   1  95.381  -3.515 -19.468
    2   2H    GLU   1           HT3      GLU   1  96.277  -4.506 -18.421
    3   3H    GLU   1           HT2      GLU   1  96.191  -4.878 -20.078
    4    HA   GLU   1           HA       GLU   1  94.092  -5.706 -19.962
    5   1HB   GLU   1          2HB       GLU   1  95.288  -6.134 -17.204
    6   2HB   GLU   1          3HB       GLU   1  93.910  -7.036 -17.839
    7   1HG   GLU   1          2HG       GLU   1  95.286  -7.796 -19.743
    8   2HG   GLU   1          3HG       GLU   1  96.671  -6.920 -19.088
    9    H    ASP   2           HN       ASP   2  92.126  -6.006 -18.232
   10    HA   ASP   2           HA       ASP   2  90.981  -3.370 -18.031
   11   1HB   ASP   2          2HB       ASP   2  90.114  -6.076 -16.992
   12   2HB   ASP   2          3HB       ASP   2  89.154  -4.616 -16.750
   13    H    LEU   3           HN       LEU   3  90.587  -2.109 -16.162
   14    HA   LEU   3           HA       LEU   3  92.514  -2.567 -13.986
   15   1HB   LEU   3          2HB       LEU   3  91.946  -0.306 -15.162
   16   2HB   LEU   3          3HB       LEU   3  90.529  -0.307 -14.116
   17    HG   LEU   3           HG       LEU   3  92.061  -0.582 -12.146
   18   1HD1  LEU   3          HD13      LEU   3  93.984  -0.787 -14.344
   19   2HD1  LEU   3          HD12      LEU   3  94.460   0.408 -13.137
   20   3HD1  LEU   3          HD11      LEU   3  94.161  -1.263 -12.656
   21   1HD2  LEU   3          HD23      LEU   3  92.107   1.790 -13.987
   22   2HD2  LEU   3          HD22      LEU   3  91.368   1.635 -12.398
   23   3HD2  LEU   3          HD21      LEU   3  93.113   1.816 -12.540
   24    HA   PRO   4           HA       PRO   4  89.448  -4.776 -11.567
   25   1HB   PRO   4          2HB       PRO   4  90.982  -3.625  -9.281
   26   2HB   PRO   4          3HB       PRO   4  90.543  -5.311  -9.609
   27   1HG   PRO   4          2HG       PRO   4  93.030  -4.371  -9.976
   28   2HG   PRO   4          3HG       PRO   4  92.335  -5.656 -10.975
   29   1HD   PRO   4          2HD       PRO   4  92.887  -2.829 -11.681
   30   2HD   PRO   4          3HD       PRO   4  92.757  -4.262 -12.727
   31    H    HIS   5           HN       HIS   5  90.193  -1.395 -11.268
   32    HA   HIS   5           HA       HIS   5  88.130  -0.712  -9.358
   33   1HB   HIS   5          2HB       HIS   5  89.585   0.972 -11.407
   34   2HB   HIS   5          3HB       HIS   5  88.575   1.614 -10.109
   35    HD1  HIS   5           HD1      HIS   5  89.420  -0.371  -7.883
   36    HD2  HIS   5           HD2      HIS   5  92.117   1.627 -10.351
   37    HE1  HIS   5           HE1      HIS   5  91.636  -0.385  -6.667
   38    H    HIS   6           HN       HIS   6  88.232  -1.115 -12.844
   39    HA   HIS   6           HA       HIS   6  85.723   0.201 -13.397
   40   1HB   HIS   6          2HB       HIS   6  87.253  -1.972 -14.860
   41   2HB   HIS   6          3HB       HIS   6  85.811  -1.185 -15.509
   42    HD1  HIS   6           HD1      HIS   6  86.163   1.692 -15.051
   43    HD2  HIS   6           HD2      HIS   6  89.444  -0.717 -15.959
   44    HE1  HIS   6           HE1      HIS   6  87.974   3.243 -15.904
   45    H    ASP   7           HN       ASP   7  86.669  -2.798 -12.015
   46    HA   ASP   7           HA       ASP   7  83.967  -3.966 -12.297
   47   1HB   ASP   7          2HB       ASP   7  86.557  -5.077 -11.165
   48   2HB   ASP   7          3HB       ASP   7  85.028  -5.955 -11.178
   49    H    GLU   8           HN       GLU   8  82.561  -3.276 -10.783
   50    HA   GLU   8           HA       GLU   8  83.362  -2.012  -8.331
   51   1HB   GLU   8          2HB       GLU   8  81.212  -1.646  -9.644
   52   2HB   GLU   8          3HB       GLU   8  80.646  -3.171  -8.965
   53   1HG   GLU   8          2HG       GLU   8  81.335  -2.145  -6.686
   54   2HG   GLU   8          3HG       GLU   8  81.291  -0.607  -7.539
   55    H    LYS   9           HN       LYS   9  82.380  -5.328  -9.125
   56    HA   LYS   9           HA       LYS   9  81.989  -6.132  -6.386
   57   1HB   LYS   9          2HB       LYS   9  81.548  -8.248  -7.226
   58   2HB   LYS   9          3HB       LYS   9  81.194  -7.236  -8.622
   59   1HG   LYS   9          2HG       LYS   9  83.802  -8.703  -8.128
   60   2HG   LYS   9          3HG       LYS   9  82.552  -9.170  -9.279
   61   1HD   LYS   9          2HD       LYS   9  83.993  -6.511  -9.343
   62   2HD   LYS   9          3HD       LYS   9  84.444  -7.901 -10.326
   63   1HE   LYS   9          2HE       LYS   9  81.963  -6.208 -10.469
   64   2HE   LYS   9          3HE       LYS   9  83.048  -6.701 -11.768
   65   1HZ   LYS   9           HZ1      LYS   9  81.236  -8.518 -10.262
   66   2HZ   LYS   9           HZ3      LYS   9  80.953  -7.928 -11.827
   67   3HZ   LYS   9           HZ2      LYS   9  82.264  -8.969 -11.538
   68    H    THR  10           HN       THR  10  84.845  -5.522  -8.169
   69    HA   THR  10           HA       THR  10  86.578  -7.448  -6.949
   70    HB   THR  10           HB       THR  10  88.357  -5.639  -7.461
   71    HG1  THR  10           HG1      THR  10  86.068  -4.509  -8.687
   72   1HG2  THR  10          HG22      THR  10  86.535  -6.724  -9.620
   73   2HG2  THR  10          HG21      THR  10  88.148  -6.070  -9.906
   74   3HG2  THR  10          HG23      THR  10  87.947  -7.530  -8.936
   75    H    TRP  11           HN       TRP  11  85.427  -4.262  -5.919
   76    HA   TRP  11           HA       TRP  11  86.722  -4.786  -3.279
   77   1HB   TRP  11          2HB       TRP  11  86.197  -2.134  -3.173
   78   2HB   TRP  11          3HB       TRP  11  87.717  -2.787  -3.790
   79    HD1  TRP  11           HD1      TRP  11  87.622  -3.424  -6.511
   80    HE1  TRP  11           HE1      TRP  11  86.585  -2.049  -8.435
   81    HE3  TRP  11           HE3      TRP  11  84.504  -0.405  -3.829
   82    HZ2  TRP  11           HZ2      TRP  11  84.707   0.104  -8.764
   83    HZ3  TRP  11           HZ3      TRP  11  83.109   1.296  -4.965
   84    HH2  TRP  11           HH2      TRP  11  83.206   1.551  -7.425
   85    H    ASN  12           HN       ASN  12  83.745  -3.936  -4.949
   86    HA   ASN  12           HA       ASN  12  82.326  -3.422  -2.424
   87   1HB   ASN  12          2HB       ASN  12  81.830  -2.233  -4.615
   88   2HB   ASN  12          3HB       ASN  12  81.098  -3.742  -5.169
   89   1HD2  ASN  12          HD22      ASN  12  78.126  -2.362  -3.765
   90   2HD2  ASN  12          HD21      ASN  12  78.960  -2.673  -5.211
   91    H    VAL  13           HN       VAL  13  81.562  -5.021  -1.208
   92    HA   VAL  13           HA       VAL  13  80.400  -7.420  -2.513
   93    HB   VAL  13           HB       VAL  13  82.803  -7.872  -1.783
   94   1HG1  VAL  13          HG13      VAL  13  81.987  -6.543   0.506
   95   2HG1  VAL  13          HG12      VAL  13  81.973  -8.234   1.000
   96   3HG1  VAL  13          HG11      VAL  13  83.450  -7.520   0.362
   97   1HG2  VAL  13          HG22      VAL  13  80.353  -9.375  -1.008
   98   2HG2  VAL  13          HG21      VAL  13  81.708  -9.885  -2.015
   99   3HG2  VAL  13          HG23      VAL  13  81.856  -9.910  -0.257
  100    H    GLY  14           HN       GLY  14  79.307  -5.043  -1.229
  101   1HA   GLY  14          2HA       GLY  14  78.510  -5.100   1.389
  102   2HA   GLY  14          3HA       GLY  14  77.380  -4.685   0.102
  103    H    SER  15           HN       SER  15  77.808  -7.544  -0.961
  104    HA   SER  15           HA       SER  15  75.486  -8.727   0.216
  105   1HB   SER  15          2HB       SER  15  76.132 -10.748  -0.984
  106   2HB   SER  15          3HB       SER  15  76.453  -9.358  -2.017
  107    HG   SER  15           HG       SER  15  78.618  -9.492  -1.467
  108    H    SER  16           HN       SER  16  78.743  -8.505   1.262
  109    HA   SER  16           HA       SER  16  78.520 -10.842   3.061
  110   1HB   SER  16          2HB       SER  16  80.762  -8.858   2.652
  111   2HB   SER  16          3HB       SER  16  80.852 -10.311   3.639
  112    HG   SER  16           HG       SER  16  80.011 -10.522   0.970
  113    H    ASN  17           HN       ASN  17  78.484 -10.677   5.297
  114    HA   ASN  17           HA       ASN  17  77.412  -8.188   6.397
  115   1HB   ASN  17          2HB       ASN  17  77.224  -9.464   8.470
  116   2HB   ASN  17          3HB       ASN  17  76.642 -10.448   7.123
  117   1HD2  ASN  17          HD22      ASN  17  78.871 -12.779   8.790
  118   2HD2  ASN  17          HD21      ASN  17  77.289 -12.181   8.905
  119    H    ARG  18           HN       ARG  18  78.431  -7.299   8.467
  120    HA   ARG  18           HA       ARG  18  81.104  -6.471   7.953
  121   1HB   ARG  18          2HB       ARG  18  79.368  -6.354  10.420
  122   2HB   ARG  18          3HB       ARG  18  81.020  -5.738  10.425
  123   1HG   ARG  18          2HG       ARG  18  80.477  -4.247   8.527
  124   2HG   ARG  18          3HG       ARG  18  78.818  -4.852   8.524
  125   1HD   ARG  18          2HD       ARG  18  80.149  -3.489  10.889
  126   2HD   ARG  18          3HD       ARG  18  79.056  -2.686   9.759
  127    HE   ARG  18           HE       ARG  18  77.566  -4.825  10.634
  128   1HH1  ARG  18          HH21      ARG  18  79.386  -2.300  12.121
  129   2HH1  ARG  18          HH22      ARG  18  78.404  -2.257  13.546
  130   1HH2  ARG  18          HH11      ARG  18  76.293  -4.787  12.500
  131   2HH2  ARG  18          HH12      ARG  18  76.657  -3.652  13.756
  132    H    ASN  19           HN       ASN  19  79.883  -9.083  10.087
  133    HA   ASN  19           HA       ASN  19  82.415  -9.711  11.278
  134   1HB   ASN  19          2HB       ASN  19  79.922 -11.346  10.763
  135   2HB   ASN  19          3HB       ASN  19  81.338 -12.038  11.558
  136   1HD2  ASN  19          HD22      ASN  19  80.894  -9.248  14.130
  137   2HD2  ASN  19          HD21      ASN  19  82.014  -9.423  12.867
  138    H    LYS  20           HN       LYS  20  80.805 -10.965   8.366
  139    HA   LYS  20           HA       LYS  20  82.821 -12.861   7.675
  140   1HB   LYS  20          2HB       LYS  20  80.558 -12.745   6.600
  141   2HB   LYS  20          3HB       LYS  20  81.073 -11.278   5.765
  142   1HG   LYS  20          2HG       LYS  20  81.499 -12.972   4.189
  143   2HG   LYS  20          3HG       LYS  20  83.074 -12.713   4.938
  144   1HD   LYS  20          2HD       LYS  20  82.749 -14.639   6.402
  145   2HD   LYS  20          3HD       LYS  20  81.105 -14.853   5.808
  146   1HE   LYS  20          2HE       LYS  20  83.545 -14.989   4.014
  147   2HE   LYS  20          3HE       LYS  20  82.812 -16.409   4.758
  148   1HZ   LYS  20           HZ1      LYS  20  80.873 -14.745   3.494
  149   2HZ   LYS  20           HZ3      LYS  20  82.065 -15.245   2.398
  150   3HZ   LYS  20           HZ2      LYS  20  81.180 -16.402   3.272
  151    H    ALA  21           HN       ALA  21  82.520  -9.388   7.078
  152    HA   ALA  21           HA       ALA  21  84.637  -9.089   5.203
  153   1HB   ALA  21           HB1      ALA  21  82.920  -7.330   6.129
  154   2HB   ALA  21           HB3      ALA  21  84.135  -7.061   7.378
  155   3HB   ALA  21           HB2      ALA  21  84.537  -6.784   5.683
  156    H    GLU  22           HN       GLU  22  84.616  -9.353   8.731
  157    HA   GLU  22           HA       GLU  22  87.312  -8.650   9.257
  158   1HB   GLU  22          2HB       GLU  22  85.489 -10.662  10.603
  159   2HB   GLU  22          3HB       GLU  22  87.066 -10.199  11.242
  160   1HG   GLU  22          2HG       GLU  22  86.376  -7.874  11.412
  161   2HG   GLU  22          3HG       GLU  22  84.838  -8.239  10.634
  162    H    ASN  23           HN       ASN  23  85.887 -11.810   8.409
  163    HA   ASN  23           HA       ASN  23  88.332 -13.271   8.475
  164   1HB   ASN  23          2HB       ASN  23  85.797 -13.667   6.872
  165   2HB   ASN  23          3HB       ASN  23  87.143 -14.809   6.847
  166   1HD2  ASN  23          HD22      ASN  23  84.771 -15.853   9.562
  167   2HD2  ASN  23          HD21      ASN  23  84.611 -15.616   7.888
  168    H    LEU  24           HN       LEU  24  86.701 -11.407   5.984
  169    HA   LEU  24           HA       LEU  24  88.577 -11.938   3.865
  170   1HB   LEU  24          2HB       LEU  24  86.574  -9.709   4.342
  171   2HB   LEU  24          3HB       LEU  24  87.552  -9.815   2.880
  172    HG   LEU  24           HG       LEU  24  85.761 -12.054   3.861
  173   1HD1  LEU  24          HD13      LEU  24  85.216  -9.633   2.209
  174   2HD1  LEU  24          HD12      LEU  24  84.542 -11.156   1.625
  175   3HD1  LEU  24          HD11      LEU  24  84.123 -10.563   3.232
  176   1HD2  LEU  24          HD23      LEU  24  87.691 -11.650   1.669
  177   2HD2  LEU  24          HD22      LEU  24  87.082 -13.150   2.369
  178   3HD2  LEU  24          HD21      LEU  24  86.137 -12.299   1.147
  179    H    LEU  25           HN       LEU  25  88.287  -9.421   6.346
  180    HA   LEU  25           HA       LEU  25  90.665  -7.998   5.354
  181   1HB   LEU  25          2HB       LEU  25  88.958  -7.725   7.841
  182   2HB   LEU  25          3HB       LEU  25  90.341  -6.688   7.501
  183    HG   LEU  25           HG       LEU  25  88.419  -6.944   5.272
  184   1HD1  LEU  25          HD11      LEU  25  86.958  -6.923   7.351
  185   2HD1  LEU  25          HD13      LEU  25  87.652  -5.349   7.735
  186   3HD1  LEU  25          HD12      LEU  25  86.706  -5.559   6.260
  187   1HD2  LEU  25          HD22      LEU  25  89.823  -4.664   6.708
  188   2HD2  LEU  25          HD21      LEU  25  90.255  -5.365   5.149
  189   3HD2  LEU  25          HD23      LEU  25  88.763  -4.441   5.313
  190    H    ARG  26           HN       ARG  26  89.957 -10.632   7.419
  191    HA   ARG  26           HA       ARG  26  92.486 -10.393   8.908
  192   1HB   ARG  26          2HB       ARG  26  90.121 -12.260   9.093
  193   2HB   ARG  26          3HB       ARG  26  91.593 -12.517  10.036
  194   1HG   ARG  26          2HG       ARG  26  90.509  -9.768  10.141
  195   2HG   ARG  26          3HG       ARG  26  89.470 -10.996  10.862
  196   1HD   ARG  26          2HD       ARG  26  92.415 -10.785  11.524
  197   2HD   ARG  26          3HD       ARG  26  91.176  -9.912  12.428
  198    HE   ARG  26           HE       ARG  26  90.275 -12.530  12.430
  199   1HH1  ARG  26          HH21      ARG  26  93.160 -10.853  13.294
  200   2HH1  ARG  26          HH22      ARG  26  93.606 -11.984  14.526
  201   1HH2  ARG  26          HH11      ARG  26  90.853 -14.027  14.017
  202   2HH2  ARG  26          HH12      ARG  26  92.314 -13.796  14.916
  203    H    GLY  27           HN       GLY  27  91.049 -12.153   6.361
  204   1HA   GLY  27          2HA       GLY  27  93.325 -14.043   6.213
  205   2HA   GLY  27          3HA       GLY  27  91.849 -14.130   5.248
  206    H    LYS  28           HN       LYS  28  92.969 -10.948   5.405
  207    HA   LYS  28           HA       LYS  28  94.419 -11.261   2.800
  208   1HB   LYS  28          2HB       LYS  28  92.407  -9.146   3.614
  209   2HB   LYS  28          3HB       LYS  28  93.448  -9.007   2.197
  210   1HG   LYS  28          2HG       LYS  28  91.610 -11.358   2.694
  211   2HG   LYS  28          3HG       LYS  28  91.172  -9.966   1.699
  212   1HD   LYS  28          2HD       LYS  28  93.565 -10.530   0.601
  213   2HD   LYS  28          3HD       LYS  28  93.125 -12.149   1.148
  214   1HE   LYS  28          2HE       LYS  28  91.347 -10.363  -0.537
  215   2HE   LYS  28          3HE       LYS  28  92.343 -11.671  -1.177
  216   1HZ   LYS  28           HZ3      LYS  28  90.354 -12.098   0.974
  217   2HZ   LYS  28           HZ2      LYS  28  89.954 -12.232  -0.672
  218   3HZ   LYS  28           HZ1      LYS  28  91.118 -13.265   0.009
  219    H    ARG  29           HN       ARG  29  96.185  -9.931   2.486
  220    HA   ARG  29           HA       ARG  29  97.520  -8.953   4.884
  221   1HB   ARG  29          2HB       ARG  29  98.268  -8.900   1.946
  222   2HB   ARG  29          3HB       ARG  29  99.308  -8.272   3.223
  223   1HG   ARG  29          2HG       ARG  29  99.320 -10.487   4.308
  224   2HG   ARG  29          3HG       ARG  29  98.283 -11.118   3.030
  225   1HD   ARG  29          2HD       ARG  29 100.011 -10.609   1.348
  226   2HD   ARG  29          3HD       ARG  29 101.051  -9.936   2.605
  227    HE   ARG  29           HE       ARG  29 100.552 -12.503   3.496
  228   1HH1  ARG  29          HH21      ARG  29 101.647 -11.075   0.553
  229   2HH1  ARG  29          HH22      ARG  29 102.661 -12.412   0.128
  230   1HH2  ARG  29          HH11      ARG  29 101.870 -14.254   2.957
  231   2HH2  ARG  29          HH12      ARG  29 102.785 -14.215   1.487
  232    H    ASP  30           HN       ASP  30  98.487  -6.708   4.916
  233    HA   ASP  30           HA       ASP  30  96.531  -4.690   4.852
  234   1HB   ASP  30          2HB       ASP  30  98.360  -3.098   5.039
  235   2HB   ASP  30          3HB       ASP  30  98.728  -4.519   6.016
  236    H    GLY  31           HN       GLY  31  96.332  -2.837   3.394
  237   1HA   GLY  31          2HA       GLY  31  96.556  -1.753   1.272
  238   2HA   GLY  31          3HA       GLY  31  97.436  -3.157   0.673
  239    H    THR  32           HN       THR  32  95.435  -5.085   1.606
  240    HA   THR  32           HA       THR  32  93.608  -4.921  -0.669
  241    HB   THR  32           HB       THR  32  93.562  -6.864   1.664
  242    HG1  THR  32           HG1      THR  32  95.298  -7.649   0.840
  243   1HG2  THR  32          HG23      THR  32  91.772  -6.483  -0.424
  244   2HG2  THR  32          HG22      THR  32  92.800  -7.792  -1.006
  245   3HG2  THR  32          HG21      THR  32  91.941  -7.959   0.526
  246    H    PHE  33           HN       PHE  33  91.635  -3.908  -0.609
  247    HA   PHE  33           HA       PHE  33  90.345  -3.627   2.058
  248   1HB   PHE  33          2HB       PHE  33  90.308  -1.358   1.997
  249   2HB   PHE  33          3HB       PHE  33  91.662  -1.549   0.891
  250    HD1  PHE  33           HD1      PHE  33  91.354  -1.238  -1.540
  251    HD2  PHE  33           HD2      PHE  33  88.105  -0.808   1.218
  252    HE1  PHE  33           HE1      PHE  33  90.001  -0.092  -3.283
  253    HE2  PHE  33           HE2      PHE  33  86.784   0.319  -0.531
  254    HZ   PHE  33           HZ       PHE  33  87.712   0.667  -2.770
  255    H    LEU  34           HN       LEU  34  87.995  -2.832   1.769
  256    HA   LEU  34           HA       LEU  34  86.815  -3.656  -0.822
  257   1HB   LEU  34          2HB       LEU  34  85.342  -5.308   0.135
  258   2HB   LEU  34          3HB       LEU  34  86.987  -5.724   0.604
  259    HG   LEU  34           HG       LEU  34  86.028  -3.951   2.588
  260   1HD1  LEU  34          HD12      LEU  34  83.770  -4.678   1.551
  261   2HD1  LEU  34          HD11      LEU  34  84.109  -6.251   2.274
  262   3HD1  LEU  34          HD13      LEU  34  83.965  -4.823   3.295
  263   1HD2  LEU  34          HD21      LEU  34  86.538  -6.933   2.474
  264   2HD2  LEU  34          HD23      LEU  34  87.583  -5.679   3.142
  265   3HD2  LEU  34          HD22      LEU  34  86.090  -6.118   3.970
  266    H    VAL  35           HN       VAL  35  84.430  -3.268  -0.857
  267    HA   VAL  35           HA       VAL  35  83.657  -1.016   0.952
  268    HB   VAL  35           HB       VAL  35  83.051  -1.406  -2.000
  269   1HG1  VAL  35          HG13      VAL  35  81.603   0.062   0.059
  270   2HG1  VAL  35          HG12      VAL  35  82.212   1.145  -1.196
  271   3HG1  VAL  35          HG11      VAL  35  81.169  -0.212  -1.628
  272   1HG2  VAL  35          HG22      VAL  35  84.711   0.509  -0.379
  273   2HG2  VAL  35          HG21      VAL  35  85.205  -0.466  -1.768
  274   3HG2  VAL  35          HG23      VAL  35  84.152   0.933  -1.995
  275    H    ARG  36           HN       ARG  36  81.964  -1.540   2.209
  276    HA   ARG  36           HA       ARG  36  79.883  -3.386   1.121
  277   1HB   ARG  36          2HB       ARG  36  79.741  -4.576   3.253
  278   2HB   ARG  36          3HB       ARG  36  81.382  -4.698   2.625
  279   1HG   ARG  36          2HG       ARG  36  82.002  -2.741   4.093
  280   2HG   ARG  36          3HG       ARG  36  80.398  -2.852   4.818
  281   1HD   ARG  36          2HD       ARG  36  82.394  -5.119   4.722
  282   2HD   ARG  36          3HD       ARG  36  82.136  -4.095   6.127
  283    HE   ARG  36           HE       ARG  36  80.567  -6.371   5.337
  284   1HH1  ARG  36          HH21      ARG  36  80.206  -3.140   6.504
  285   2HH1  ARG  36          HH22      ARG  36  78.571  -3.382   7.021
  286   1HH2  ARG  36          HH11      ARG  36  78.458  -6.693   6.006
  287   2HH2  ARG  36          HH12      ARG  36  77.590  -5.397   6.761
  288    H    GLU  37           HN       GLU  37  77.995  -3.337   3.063
  289    HA   GLU  37           HA       GLU  37  77.351  -0.447   3.213
  290   1HB   GLU  37          2HB       GLU  37  75.656  -2.890   3.833
  291   2HB   GLU  37          3HB       GLU  37  75.078  -1.224   3.819
  292   1HG   GLU  37          2HG       GLU  37  75.964  -1.136   1.399
  293   2HG   GLU  37          3HG       GLU  37  76.028  -2.894   1.502
  294    H    SER  38           HN       SER  38  76.097   0.092   5.399
  295    HA   SER  38           HA       SER  38  77.982  -0.482   7.560
  296   1HB   SER  38          2HB       SER  38  75.346   0.996   7.417
  297   2HB   SER  38          3HB       SER  38  76.196   0.747   8.939
  298    HG   SER  38           HG       SER  38  77.289   1.975   6.615
  299    H    SER  39           HN       SER  39  76.022  -2.352   6.043
  300    HA   SER  39           HA       SER  39  75.469  -4.557   6.706
  301   1HB   SER  39          2HB       SER  39  76.461  -3.961   9.022
  302   2HB   SER  39          3HB       SER  39  74.810  -3.550   9.477
  303    HG   SER  39           HG       SER  39  75.976  -5.977   9.176
  304    H    LYS  40           HN       LYS  40  73.383  -2.388   8.736
  305    HA   LYS  40           HA       LYS  40  71.109  -3.431   7.095
  306   1HB   LYS  40          2HB       LYS  40  71.177  -2.414   9.945
  307   2HB   LYS  40          3HB       LYS  40  69.683  -2.746   9.070
  308   1HG   LYS  40          2HG       LYS  40  71.017  -5.067   8.610
  309   2HG   LYS  40          3HG       LYS  40  71.678  -4.637  10.189
  310   1HD   LYS  40          2HD       LYS  40  69.416  -4.402  11.100
  311   2HD   LYS  40          3HD       LYS  40  68.723  -4.782   9.520
  312   1HE   LYS  40          2HE       LYS  40  69.733  -7.005   9.572
  313   2HE   LYS  40          3HE       LYS  40  70.528  -6.634  11.102
  314   1HZ   LYS  40           HZ2      LYS  40  67.597  -6.675  10.649
  315   2HZ   LYS  40           HZ1      LYS  40  68.492  -7.894  11.424
  316   3HZ   LYS  40           HZ3      LYS  40  68.374  -6.355  12.126
  317    H    GLN  41           HN       GLN  41  72.221  -0.370   8.652
  318    HA   GLN  41           HA       GLN  41  70.104   1.166   7.425
  319   1HB   GLN  41          2HB       GLN  41  71.319   3.149   8.149
  320   2HB   GLN  41          3HB       GLN  41  71.345   1.950   9.438
  321   1HG   GLN  41          2HG       GLN  41  73.606   1.263   8.794
  322   2HG   GLN  41          3HG       GLN  41  73.578   2.392   7.439
  323   1HE2  GLN  41          HE22      GLN  41  73.431   5.224   9.883
  324   2HE2  GLN  41          HE21      GLN  41  72.385   4.642   8.681
  325    H    GLY  42           HN       GLY  42  70.425   2.851   5.743
  326   1HA   GLY  42          2HA       GLY  42  71.777   1.701   3.436
  327   2HA   GLY  42          3HA       GLY  42  70.864   3.208   3.452
  328    H    CYS  43           HN       CYS  43  73.778   2.199   5.280
  329    HA   CYS  43           HA       CYS  43  75.135   4.628   4.171
  330   1HB   CYS  43          2HB       CYS  43  75.513   3.229   6.834
  331   2HB   CYS  43          3HB       CYS  43  76.511   4.567   6.262
  332    HG   CYS  43           HG       CYS  43  74.224   5.994   6.159
  333    H    TYR  44           HN       TYR  44  77.440   4.372   3.678
  334    HA   TYR  44           HA       TYR  44  78.161   1.524   3.115
  335   1HB   TYR  44          2HB       TYR  44  78.933   4.044   1.632
  336   2HB   TYR  44          3HB       TYR  44  79.575   2.441   1.273
  337    HD1  TYR  44           HD1      TYR  44  78.023   0.621   0.493
  338    HD2  TYR  44           HD2      TYR  44  76.767   4.700   0.941
  339    HE1  TYR  44           HE1      TYR  44  76.043   0.168  -0.939
  340    HE2  TYR  44           HE2      TYR  44  74.793   4.256  -0.485
  341    HH   TYR  44           HH       TYR  44  74.472   2.012  -2.524
  342    H    ALA  45           HN       ALA  45  80.370   0.906   3.365
  343    HA   ALA  45           HA       ALA  45  82.160   2.816   4.761
  344   1HB   ALA  45           HB1      ALA  45  80.988   0.308   5.918
  345   2HB   ALA  45           HB3      ALA  45  82.622   0.783   6.383
  346   3HB   ALA  45           HB2      ALA  45  81.266   1.866   6.692
  347    H    CYS  46           HN       CYS  46  84.300   2.510   4.097
  348    HA   CYS  46           HA       CYS  46  84.807   0.091   2.424
  349   1HB   CYS  46          2HB       CYS  46  86.552   2.574   2.659
  350   2HB   CYS  46          3HB       CYS  46  86.733   1.263   1.484
  351    HG   CYS  46           HG       CYS  46  84.402   1.994   0.456
  352    H    SER  47           HN       SER  47  85.683  -1.559   3.539
  353    HA   SER  47           HA       SER  47  87.213  -0.968   5.992
  354   1HB   SER  47          2HB       SER  47  85.498  -2.764   6.026
  355   2HB   SER  47          3HB       SER  47  86.425  -3.643   4.810
  356    HG   SER  47           HG       SER  47  87.750  -2.757   7.100
  357    H    VAL  48           HN       VAL  48  89.390  -1.388   6.241
  358    HA   VAL  48           HA       VAL  48  90.819  -2.411   3.832
  359    HB   VAL  48           HB       VAL  48  92.049  -0.330   5.600
  360   1HG1  VAL  48          HG12      VAL  48  92.990  -1.624   3.475
  361   2HG1  VAL  48          HG11      VAL  48  92.148  -0.328   2.626
  362   3HG1  VAL  48          HG13      VAL  48  93.407   0.058   3.795
  363   1HG2  VAL  48          HG22      VAL  48  89.986   0.245   3.447
  364   2HG2  VAL  48          HG21      VAL  48  89.831   0.604   5.167
  365   3HG2  VAL  48          HG23      VAL  48  91.027   1.458   4.192
  366    H    VAL  49           HN       VAL  49  92.906  -3.413   4.345
  367    HA   VAL  49           HA       VAL  49  93.006  -4.482   7.130
  368    HB   VAL  49           HB       VAL  49  94.423  -5.412   4.621
  369   1HG1  VAL  49          HG12      VAL  49  95.030  -5.840   7.358
  370   2HG1  VAL  49          HG11      VAL  49  94.355  -7.347   6.739
  371   3HG1  VAL  49          HG13      VAL  49  95.759  -6.622   5.957
  372   1HG2  VAL  49          HG22      VAL  49  91.968  -6.380   6.080
  373   2HG2  VAL  49          HG21      VAL  49  92.170  -6.074   4.356
  374   3HG2  VAL  49          HG23      VAL  49  92.930  -7.481   5.097
  375    H    VAL  50           HN       VAL  50  94.790  -3.926   8.460
  376    HA   VAL  50           HA       VAL  50  96.896  -2.324   7.077
  377    HB   VAL  50           HB       VAL  50  95.399  -1.800   9.618
  378   1HG1  VAL  50          HG13      VAL  50  98.315  -1.242   9.117
  379   2HG1  VAL  50          HG12      VAL  50  97.351  -0.110  10.062
  380   3HG1  VAL  50          HG11      VAL  50  97.527  -1.778  10.600
  381   1HG2  VAL  50          HG21      VAL  50  96.543  -0.050   7.415
  382   2HG2  VAL  50          HG23      VAL  50  94.867  -0.583   7.533
  383   3HG2  VAL  50          HG22      VAL  50  95.535   0.509   8.746
  384    H    ASP  51           HN       ASP  51  98.981  -2.539   7.755
  385    HA   ASP  51           HA       ASP  51  99.929  -5.071   8.506
  386   1HB   ASP  51          2HB       ASP  51 101.205  -2.329   8.696
  387   2HB   ASP  51          3HB       ASP  51 102.094  -3.834   8.957
  388    H    GLY  52           HN       GLY  52  98.076  -3.330  10.445
  389   1HA   GLY  52          2HA       GLY  52  99.479  -4.345  12.858
  390   2HA   GLY  52          3HA       GLY  52  98.858  -2.695  12.845
  391    H    GLU  53           HN       GLU  53  96.371  -3.245  11.439
  392    HA   GLU  53           HA       GLU  53  95.016  -5.354  12.946
  393   1HB   GLU  53          2HB       GLU  53  94.999  -3.932  14.789
  394   2HB   GLU  53          3HB       GLU  53  94.878  -2.477  13.797
  395   1HG   GLU  53          2HG       GLU  53  92.591  -2.920  13.274
  396   2HG   GLU  53          3HG       GLU  53  92.684  -4.544  13.955
  397    H    VAL  54           HN       VAL  54  92.608  -5.362  12.446
  398    HA   VAL  54           HA       VAL  54  92.150  -4.839   9.639
  399    HB   VAL  54           HB       VAL  54  90.195  -5.449  11.886
  400   1HG1  VAL  54          HG11      VAL  54  89.809  -4.812   9.047
  401   2HG1  VAL  54          HG13      VAL  54  89.107  -6.362   9.509
  402   3HG1  VAL  54          HG12      VAL  54  88.625  -4.892  10.351
  403   1HG2  VAL  54          HG21      VAL  54  92.015  -7.132  11.373
  404   2HG2  VAL  54          HG23      VAL  54  90.375  -7.739  11.156
  405   3HG2  VAL  54          HG22      VAL  54  91.336  -7.276   9.753
  406    H    LYS  55           HN       LYS  55  91.260  -2.992   8.681
  407    HA   LYS  55           HA       LYS  55  90.436  -0.830  10.580
  408   1HB   LYS  55          2HB       LYS  55  91.432  -0.526   7.729
  409   2HB   LYS  55          3HB       LYS  55  91.080   0.774   8.870
  410   1HG   LYS  55          2HG       LYS  55  93.291  -1.275   9.035
  411   2HG   LYS  55          3HG       LYS  55  93.434   0.481   8.941
  412   1HD   LYS  55          2HD       LYS  55  92.077   0.524  11.120
  413   2HD   LYS  55          3HD       LYS  55  92.460  -1.192  11.243
  414   1HE   LYS  55          2HE       LYS  55  94.761  -0.797  11.471
  415   2HE   LYS  55          3HE       LYS  55  94.651   0.823  10.789
  416   1HZ   LYS  55           HZ3      LYS  55  93.465  -0.024  13.374
  417   2HZ   LYS  55           HZ2      LYS  55  94.911   0.856  13.209
  418   3HZ   LYS  55           HZ1      LYS  55  93.432   1.544  12.729
  419    H    HIS  56           HN       HIS  56  88.459   0.099  10.309
  420    HA   HIS  56           HA       HIS  56  86.791  -0.960   8.081
  421   1HB   HIS  56          2HB       HIS  56  86.317  -1.716  10.508
  422   2HB   HIS  56          3HB       HIS  56  85.738  -0.070  10.762
  423    HD1  HIS  56           HD1      HIS  56  84.825  -3.303   9.187
  424    HD2  HIS  56           HD2      HIS  56  83.450   0.618   9.157
  425    HE1  HIS  56           HE1      HIS  56  82.506  -3.372   8.167
  426    H    CYS  57           HN       CYS  57  87.326   0.924   6.772
  427    HA   CYS  57           HA       CYS  57  86.972   3.626   7.769
  428   1HB   CYS  57          2HB       CYS  57  88.158   2.581   5.550
  429   2HB   CYS  57          3HB       CYS  57  86.635   3.152   4.864
  430    HG   CYS  57           HG       CYS  57  88.866   4.939   5.994
  431    H    VAL  58           HN       VAL  58  85.150   4.916   7.673
  432    HA   VAL  58           HA       VAL  58  82.649   3.520   6.867
  433    HB   VAL  58           HB       VAL  58  83.335   5.577   8.945
  434   1HG1  VAL  58          HG13      VAL  58  80.718   5.197   7.536
  435   2HG1  VAL  58          HG12      VAL  58  80.712   5.557   9.265
  436   3HG1  VAL  58          HG11      VAL  58  81.466   6.681   8.131
  437   1HG2  VAL  58          HG22      VAL  58  82.476   2.779   8.860
  438   2HG2  VAL  58          HG21      VAL  58  83.186   3.693  10.189
  439   3HG2  VAL  58          HG23      VAL  58  81.449   3.754   9.907
  440    H    ILE  59           HN       ILE  59  81.471   4.294   5.205
  441    HA   ILE  59           HA       ILE  59  82.194   6.976   4.115
  442    HB   ILE  59           HB       ILE  59  80.759   4.687   2.718
  443   1HG1  ILE  59          HG12      ILE  59  83.089   4.066   3.246
  444   2HG1  ILE  59          HG11      ILE  59  82.893   4.339   1.517
  445   1HG2  ILE  59          HG23      ILE  59  81.951   7.284   1.731
  446   2HG2  ILE  59          HG22      ILE  59  81.350   6.001   0.685
  447   3HG2  ILE  59          HG21      ILE  59  80.240   6.853   1.756
  448   1HD1  ILE  59          HD12      ILE  59  83.650   6.765   2.027
  449   2HD1  ILE  59          HD11      ILE  59  84.231   6.107   3.555
  450   3HD1  ILE  59          HD13      ILE  59  84.873   5.495   2.033
  451    H    ASN  60           HN       ASN  60  80.694   8.512   4.694
  452    HA   ASN  60           HA       ASN  60  77.980   7.601   5.476
  453   1HB   ASN  60          2HB       ASN  60  79.306   9.182   6.936
  454   2HB   ASN  60          3HB       ASN  60  79.149  10.392   5.662
  455   1HD2  ASN  60          HD22      ASN  60  76.170  11.386   7.312
  456   2HD2  ASN  60          HD21      ASN  60  77.767  11.809   6.929
  457    H    LYS  61           HN       LYS  61  76.492   7.522   3.839
  458    HA   LYS  61           HA       LYS  61  76.823   9.250   1.488
  459   1HB   LYS  61          2HB       LYS  61  76.024   6.872   1.323
  460   2HB   LYS  61          3HB       LYS  61  74.528   7.378   2.111
  461   1HG   LYS  61          2HG       LYS  61  74.278   9.129   0.293
  462   2HG   LYS  61          3HG       LYS  61  75.628   8.361  -0.536
  463   1HD   LYS  61          2HD       LYS  61  74.093   7.021  -1.504
  464   2HD   LYS  61          3HD       LYS  61  73.949   6.229   0.065
  465   1HE   LYS  61          2HE       LYS  61  72.177   7.865   0.695
  466   2HE   LYS  61          3HE       LYS  61  72.287   8.572  -0.916
  467   1HZ   LYS  61           HZ2      LYS  61  72.036   5.826  -1.242
  468   2HZ   LYS  61           HZ1      LYS  61  70.870   6.281  -0.094
  469   3HZ   LYS  61           HZ3      LYS  61  70.890   7.021  -1.620
  470    H    THR  62           HN       THR  62  76.050  11.265   1.440
  471    HA   THR  62           HA       THR  62  73.449  11.877   2.748
  472    HB   THR  62           HB       THR  62  75.993  13.495   3.128
  473    HG1  THR  62           HG1      THR  62  74.827  12.869   5.386
  474   1HG2  THR  62          HG21      THR  62  73.152  13.982   4.065
  475   2HG2  THR  62          HG23      THR  62  74.558  14.921   4.569
  476   3HG2  THR  62          HG22      THR  62  74.039  14.948   2.884
  477    H    ALA  63           HN       ALA  63  72.474  13.877   1.843
  478    HA   ALA  63           HA       ALA  63  72.648  14.018  -0.971
  479   1HB   ALA  63           HB1      ALA  63  71.484  15.748   1.158
  480   2HB   ALA  63           HB3      ALA  63  71.733  16.499  -0.417
  481   3HB   ALA  63           HB2      ALA  63  70.720  15.064  -0.275
  482    H    THR  64           HN       THR  64  74.307  15.995   1.502
  483    HA   THR  64           HA       THR  64  75.981  17.143  -0.672
  484    HB   THR  64           HB       THR  64  76.468  18.888   1.064
  485    HG1  THR  64           HG1      THR  64  75.928  17.702   2.881
  486   1HG2  THR  64          HG22      THR  64  74.417  18.738  -0.688
  487   2HG2  THR  64          HG21      THR  64  73.521  18.893   0.824
  488   3HG2  THR  64          HG23      THR  64  74.689  20.129   0.359
  489    H    GLY  65           HN       GLY  65  76.236  14.579   1.252
  490   1HA   GLY  65          2HA       GLY  65  79.100  15.167   1.911
  491   2HA   GLY  65          3HA       GLY  65  78.074  14.238   3.004
  492    H    TYR  66           HN       TYR  66  79.266  12.335   2.898
  493    HA   TYR  66           HA       TYR  66  78.653  10.329   1.115
  494   1HB   TYR  66          2HB       TYR  66  79.610  11.441  -0.772
  495   2HB   TYR  66          3HB       TYR  66  81.038  11.921   0.151
  496    HD1  TYR  66           HD2      TYR  66  79.243   9.058  -1.366
  497    HD2  TYR  66           HD1      TYR  66  82.855  10.393   0.536
  498    HE1  TYR  66           HE2      TYR  66  80.348   6.920  -1.964
  499    HE2  TYR  66           HE1      TYR  66  83.965   8.259  -0.068
  500    HH   TYR  66           HH       TYR  66  83.139   6.318  -2.303
  501    H    GLY  67           HN       GLY  67  80.711  11.803   3.352
  502   1HA   GLY  67          2HA       GLY  67  81.300  10.049   5.191
  503   2HA   GLY  67          3HA       GLY  67  82.207   9.279   3.884
  504    H    PHE  68           HN       PHE  68  83.992  10.504   2.917
  505    HA   PHE  68           HA       PHE  68  85.454  12.106   4.891
  506   1HB   PHE  68          2HB       PHE  68  86.027  11.064   2.124
  507   2HB   PHE  68          3HB       PHE  68  87.083  12.273   2.849
  508    HD1  PHE  68           HD1      PHE  68  85.665   8.852   3.314
  509    HD2  PHE  68           HD2      PHE  68  88.661  11.687   4.517
  510    HE1  PHE  68           HE1      PHE  68  86.853   7.070   4.569
  511    HE2  PHE  68           HE2      PHE  68  89.848   9.906   5.768
  512    HZ   PHE  68           HZ       PHE  68  88.950   7.598   5.791
  513    H    ALA  69           HN       ALA  69  86.124  14.323   4.538
  514    HA   ALA  69           HA       ALA  69  84.652  15.770   2.372
  515   1HB   ALA  69           HB3      ALA  69  84.739  16.417   5.322
  516   2HB   ALA  69           HB2      ALA  69  84.322  17.624   4.105
  517   3HB   ALA  69           HB1      ALA  69  83.321  16.186   4.300
  518    H    GLU  70           HN       GLU  70  87.508  14.981   2.570
  519    HA   GLU  70           HA       GLU  70  89.108  17.197   3.405
  520   1HB   GLU  70          2HB       GLU  70  89.916  14.848   2.718
  521   2HB   GLU  70          3HB       GLU  70  89.804  15.429   1.057
  522   1HG   GLU  70          2HG       GLU  70  92.040  15.886   1.674
  523   2HG   GLU  70          3HG       GLU  70  91.209  17.431   1.824
  524    HA   PRO  71           HA       PRO  71  88.282  18.956  -0.916
  525   1HB   PRO  71          2HB       PRO  71  86.600  17.656  -2.595
  526   2HB   PRO  71          3HB       PRO  71  88.284  17.148  -2.374
  527   1HG   PRO  71          2HG       PRO  71  85.823  15.845  -1.484
  528   2HG   PRO  71          3HG       PRO  71  87.452  15.179  -1.672
  529   1HD   PRO  71          2HD       PRO  71  86.155  16.109   0.764
  530   2HD   PRO  71          3HD       PRO  71  87.716  15.282   0.589
  531    H    TYR  72           HN       TYR  72  86.309  18.646   1.478
  532    HA   TYR  72           HA       TYR  72  84.435  19.821   2.224
  533   1HB   TYR  72          2HB       TYR  72  84.464  21.134  -0.519
  534   2HB   TYR  72          3HB       TYR  72  83.608  21.704   0.906
  535    HD1  TYR  72           HD2      TYR  72  85.106  22.040   3.059
  536    HD2  TYR  72           HD1      TYR  72  86.590  21.998  -0.970
  537    HE1  TYR  72           HE2      TYR  72  87.133  23.260   3.794
  538    HE2  TYR  72           HE1      TYR  72  88.617  23.226  -0.237
  539    HH   TYR  72           HH       TYR  72  89.083  24.099   3.197
  540    H    ASN  73           HN       ASN  73  84.206  17.226   1.036
  541    HA   ASN  73           HA       ASN  73  82.551  15.770   0.217
  542   1HB   ASN  73          2HB       ASN  73  80.791  18.151   0.920
  543   2HB   ASN  73          3HB       ASN  73  80.188  16.542   0.522
  544   1HD2  ASN  73          HD22      ASN  73  82.037  15.267   3.568
  545   2HD2  ASN  73          HD21      ASN  73  82.261  15.034   1.900
  546    H    LEU  74           HN       LEU  74  84.015  17.189  -1.693
  547    HA   LEU  74           HA       LEU  74  81.910  17.908  -3.689
  548   1HB   LEU  74          2HB       LEU  74  84.795  18.808  -3.508
  549   2HB   LEU  74          3HB       LEU  74  83.688  19.233  -4.814
  550    HG   LEU  74           HG       LEU  74  83.233  19.846  -1.880
  551   1HD1  LEU  74          HD11      LEU  74  85.054  21.194  -2.887
  552   2HD1  LEU  74          HD13      LEU  74  83.968  21.668  -4.192
  553   3HD1  LEU  74          HD12      LEU  74  83.638  22.186  -2.540
  554   1HD2  LEU  74          HD22      LEU  74  81.619  20.205  -4.388
  555   2HD2  LEU  74          HD21      LEU  74  81.083  19.725  -2.779
  556   3HD2  LEU  74          HD23      LEU  74  81.485  21.411  -3.108
  557    H    TYR  75           HN       TYR  75  82.901  15.169  -3.118
  558    HA   TYR  75           HA       TYR  75  84.776  14.318  -5.075
  559   1HB   TYR  75          2HB       TYR  75  82.382  12.814  -3.964
  560   2HB   TYR  75          3HB       TYR  75  83.721  12.083  -4.854
  561    HD1  TYR  75           HD1      TYR  75  86.137  12.959  -3.917
  562    HD2  TYR  75           HD2      TYR  75  82.505  12.612  -1.653
  563    HE1  TYR  75           HE1      TYR  75  87.459  12.822  -1.823
  564    HE2  TYR  75           HE2      TYR  75  83.823  12.472   0.447
  565    HH   TYR  75           HH       TYR  75  86.960  13.396   0.697
  566    H    SER  76           HN       SER  76  84.462  13.499  -7.212
  567    HA   SER  76           HA       SER  76  82.089  14.657  -8.574
  568   1HB   SER  76          2HB       SER  76  84.297  15.184  -9.522
  569   2HB   SER  76          3HB       SER  76  84.643  13.467  -9.705
  570    HG   SER  76           HG       SER  76  83.832  14.009 -11.633
  571    H    SER  77           HN       SER  77  83.823  11.550  -8.316
  572    HA   SER  77           HA       SER  77  81.254  10.214  -8.989
  573   1HB   SER  77          2HB       SER  77  82.643  10.352 -11.052
  574   2HB   SER  77          3HB       SER  77  83.924   9.479 -10.216
  575    HG   SER  77           HG       SER  77  81.266   8.586 -10.666
  576    H    LEU  78           HN       LEU  78  81.064   8.107  -8.141
  577    HA   LEU  78           HA       LEU  78  82.383   7.668  -5.633
  578   1HB   LEU  78          2HB       LEU  78  80.739   5.808  -7.372
  579   2HB   LEU  78          3HB       LEU  78  81.232   5.454  -5.712
  580    HG   LEU  78           HG       LEU  78  79.623   7.872  -6.564
  581   1HD1  LEU  78          HD12      LEU  78  78.826   5.274  -5.230
  582   2HD1  LEU  78          HD11      LEU  78  77.817   6.721  -5.216
  583   3HD1  LEU  78          HD13      LEU  78  78.213   5.939  -6.745
  584   1HD2  LEU  78          HD23      LEU  78  80.940   6.990  -4.054
  585   2HD2  LEU  78          HD22      LEU  78  80.600   8.619  -4.632
  586   3HD2  LEU  78          HD21      LEU  78  79.319   7.663  -3.886
  587    H    LYS  79           HN       LYS  79  82.839   6.240  -8.874
  588    HA   LYS  79           HA       LYS  79  84.786   4.313  -8.022
  589   1HB   LYS  79          2HB       LYS  79  84.323   5.649 -10.703
  590   2HB   LYS  79          3HB       LYS  79  85.501   4.361 -10.449
  591   1HG   LYS  79          2HG       LYS  79  83.685   2.881  -9.623
  592   2HG   LYS  79          3HG       LYS  79  82.513   4.161  -9.947
  593   1HD   LYS  79          2HD       LYS  79  82.921   4.070 -12.303
  594   2HD   LYS  79          3HD       LYS  79  84.359   3.073 -12.085
  595   1HE   LYS  79          2HE       LYS  79  82.952   1.234 -11.220
  596   2HE   LYS  79          3HE       LYS  79  81.513   2.225 -11.458
  597   1HZ   LYS  79           HZ2      LYS  79  82.122   2.371 -13.832
  598   2HZ   LYS  79           HZ1      LYS  79  83.388   1.273 -13.552
  599   3HZ   LYS  79           HZ3      LYS  79  81.780   0.786 -13.329
  600    H    GLU  80           HN       GLU  80  85.036   7.685  -9.142
  601    HA   GLU  80           HA       GLU  80  87.919   7.775  -9.130
  602   1HB   GLU  80          2HB       GLU  80  85.870   9.991  -8.824
  603   2HB   GLU  80          3HB       GLU  80  87.601  10.258  -9.042
  604   1HG   GLU  80          2HG       GLU  80  87.538   9.095 -11.190
  605   2HG   GLU  80          3HG       GLU  80  85.827   8.736 -10.962
  606    H    LEU  81           HN       LEU  81  85.448   8.265  -6.673
  607    HA   LEU  81           HA       LEU  81  87.098   9.459  -4.680
  608   1HB   LEU  81          2HB       LEU  81  84.666   9.334  -4.449
  609   2HB   LEU  81          3HB       LEU  81  84.739   7.576  -4.407
  610    HG   LEU  81           HG       LEU  81  84.548   8.767  -2.142
  611   1HD1  LEU  81          HD12      LEU  81  85.701   6.401  -2.863
  612   2HD1  LEU  81          HD11      LEU  81  87.041   7.179  -2.022
  613   3HD1  LEU  81          HD13      LEU  81  85.507   6.930  -1.194
  614   1HD2  LEU  81          HD22      LEU  81  86.388  10.469  -2.893
  615   2HD2  LEU  81          HD21      LEU  81  86.419   9.877  -1.233
  616   3HD2  LEU  81          HD23      LEU  81  87.521   9.197  -2.431
  617    H    VAL  82           HN       VAL  82  86.399   6.044  -5.429
  618    HA   VAL  82           HA       VAL  82  88.059   4.946  -3.350
  619    HB   VAL  82           HB       VAL  82  87.192   3.776  -6.016
  620   1HG1  VAL  82          HG13      VAL  82  88.659   2.603  -3.649
  621   2HG1  VAL  82          HG12      VAL  82  87.701   1.591  -4.729
  622   3HG1  VAL  82          HG11      VAL  82  89.075   2.496  -5.357
  623   1HG2  VAL  82          HG21      VAL  82  85.644   4.419  -3.840
  624   2HG2  VAL  82          HG23      VAL  82  85.269   3.121  -4.974
  625   3HG2  VAL  82          HG22      VAL  82  86.104   2.759  -3.462
  626    H    LEU  83           HN       LEU  83  88.644   5.720  -6.777
  627    HA   LEU  83           HA       LEU  83  91.284   4.706  -7.005
  628   1HB   LEU  83          2HB       LEU  83  89.933   7.022  -8.395
  629   2HB   LEU  83          3HB       LEU  83  91.503   6.373  -8.869
  630    HG   LEU  83           HG       LEU  83  88.965   4.717  -8.695
  631   1HD1  LEU  83          HD11      LEU  83  89.208   6.598 -10.528
  632   2HD1  LEU  83          HD13      LEU  83  90.333   5.458 -11.261
  633   3HD1  LEU  83          HD12      LEU  83  88.656   4.988 -10.989
  634   1HD2  LEU  83          HD23      LEU  83  91.827   4.179  -9.291
  635   2HD2  LEU  83          HD22      LEU  83  90.602   3.114  -8.604
  636   3HD2  LEU  83          HD21      LEU  83  90.654   3.393 -10.345
  637    H    HIS  84           HN       HIS  84  90.192   7.985  -6.026
  638    HA   HIS  84           HA       HIS  84  92.814   9.101  -5.832
  639   1HB   HIS  84          2HB       HIS  84  90.745  10.448  -5.864
  640   2HB   HIS  84          3HB       HIS  84  90.330   9.839  -4.263
  641    HD1  HIS  84           HD1      HIS  84  91.914  10.587  -2.259
  642    HD2  HIS  84           HD2      HIS  84  92.658  12.530  -5.876
  643    HE1  HIS  84           HE1      HIS  84  93.338  12.608  -1.709
  644    H    TYR  85           HN       TYR  85  90.832   7.395  -3.402
  645    HA   TYR  85           HA       TYR  85  92.606   7.851  -1.203
  646   1HB   TYR  85          2HB       TYR  85  90.464   5.814  -1.764
  647   2HB   TYR  85          3HB       TYR  85  91.481   5.660  -0.330
  648    HD1  TYR  85           HD2      TYR  85  89.988   8.597  -2.133
  649    HD2  TYR  85           HD1      TYR  85  90.371   6.436   1.560
  650    HE1  TYR  85           HE2      TYR  85  88.682  10.356  -0.973
  651    HE2  TYR  85           HE1      TYR  85  89.071   8.200   2.727
  652    HH   TYR  85           HH       TYR  85  87.737  10.989   0.928
  653    H    GLN  86           HN       GLN  86  92.838   5.658  -3.903
  654    HA   GLN  86           HA       GLN  86  94.611   3.755  -2.623
  655   1HB   GLN  86          2HB       GLN  86  94.789   4.395  -5.552
  656   2HB   GLN  86          3HB       GLN  86  94.879   2.827  -4.742
  657   1HG   GLN  86          2HG       GLN  86  92.426   3.279  -4.056
  658   2HG   GLN  86          3HG       GLN  86  92.459   4.498  -5.308
  659   1HE2  GLN  86          HE22      GLN  86  92.490   2.169  -7.985
  660   2HE2  GLN  86          HE21      GLN  86  92.740   3.789  -7.547
  661    H    HIS  87           HN       HIS  87  95.062   6.849  -4.241
  662    HA   HIS  87           HA       HIS  87  97.996   6.589  -4.146
  663   1HB   HIS  87          2HB       HIS  87  96.183   8.857  -5.007
  664   2HB   HIS  87          3HB       HIS  87  97.946   8.894  -5.111
  665    HD1  HIS  87           HD1      HIS  87  94.918   7.313  -6.631
  666    HD2  HIS  87           HD2      HIS  87  99.056   7.183  -7.108
  667    HE1  HIS  87           HE1      HIS  87  95.347   6.079  -8.796
  668    H    THR  88           HN       THR  88  95.440   7.810  -2.188
  669    HA   THR  88           HA       THR  88  97.338   9.472  -0.606
  670    HB   THR  88           HB       THR  88  94.319   9.221  -0.369
  671    HG1  THR  88           HG1      THR  88  94.825  10.211  -2.282
  672   1HG2  THR  88          HG23      THR  88  95.525   9.937   1.703
  673   2HG2  THR  88          HG22      THR  88  96.229  11.271   0.789
  674   3HG2  THR  88          HG21      THR  88  94.485  11.200   1.042
  675    H    SER  89           HN       SER  89  98.151   8.705   1.255
  676    HA   SER  89           HA       SER  89  97.360   6.048   2.188
  677   1HB   SER  89          2HB       SER  89  99.281   6.156   3.554
  678   2HB   SER  89          3HB       SER  89  99.730   7.088   2.124
  679    HG   SER  89           HG       SER  89  98.755   8.905   3.474
  680    H    LEU  90           HN       LEU  90  96.207   5.591   4.029
  681    HA   LEU  90           HA       LEU  90  94.537   7.717   5.118
  682   1HB   LEU  90          2HB       LEU  90  94.845   4.779   5.757
  683   2HB   LEU  90          3HB       LEU  90  93.720   5.827   6.620
  684    HG   LEU  90           HG       LEU  90  93.093   6.467   4.054
  685   1HD1  LEU  90          HD13      LEU  90  94.725   4.788   3.206
  686   2HD1  LEU  90          HD12      LEU  90  93.800   3.527   4.018
  687   3HD1  LEU  90          HD11      LEU  90  93.071   4.448   2.706
  688   1HD2  LEU  90          HD23      LEU  90  92.060   4.514   6.040
  689   2HD2  LEU  90          HD22      LEU  90  91.242   5.873   5.273
  690   3HD2  LEU  90          HD21      LEU  90  91.440   4.354   4.399
  691    H    VAL  91           HN       VAL  91  97.589   6.385   5.942
  692    HA   VAL  91           HA       VAL  91  97.977   6.401   8.614
  693    HB   VAL  91           HB       VAL  91  99.745   6.529   6.758
  694   1HG1  VAL  91          HG12      VAL  91  98.922   8.817   6.006
  695   2HG1  VAL  91          HG11      VAL  91  99.656   9.470   7.469
  696   3HG1  VAL  91          HG13      VAL  91 100.663   8.685   6.253
  697   1HG2  VAL  91          HG23      VAL  91  99.898   7.652   9.523
  698   2HG2  VAL  91          HG22      VAL  91 100.688   6.228   8.845
  699   3HG2  VAL  91          HG21      VAL  91 101.306   7.839   8.477
  700    H    GLN  92           HN       GLN  92  97.428   9.408   6.765
  701    HA   GLN  92           HA       GLN  92  97.638  11.153   9.027
  702   1HB   GLN  92          2HB       GLN  92  96.638  12.844   7.611
  703   2HB   GLN  92          3HB       GLN  92  97.760  11.891   6.641
  704   1HG   GLN  92          2HG       GLN  92  95.616  10.436   6.144
  705   2HG   GLN  92          3HG       GLN  92  94.763  11.909   6.604
  706   1HE2  GLN  92          HE22      GLN  92  95.324  12.241   2.979
  707   2HE2  GLN  92          HE21      GLN  92  94.361  11.311   4.021
  708    H    HIS  93           HN       HIS  93  95.173   8.912   8.259
  709    HA   HIS  93           HA       HIS  93  92.881  10.363   9.213
  710   1HB   HIS  93          2HB       HIS  93  93.553   7.406   9.168
  711   2HB   HIS  93          3HB       HIS  93  91.994   8.019   9.721
  712    HD1  HIS  93           HD1      HIS  93  93.752   9.768   6.934
  713    HD2  HIS  93           HD2      HIS  93  90.675   6.991   7.377
  714    HE1  HIS  93           HE1      HIS  93  92.637   9.568   4.669
  715    H    ASN  94           HN       ASN  94  95.209   8.220  10.810
  716    HA   ASN  94           HA       ASN  94  94.668   9.620  13.378
  717   1HB   ASN  94          2HB       ASN  94  94.767   6.605  13.002
  718   2HB   ASN  94          3HB       ASN  94  94.759   7.419  14.567
  719   1HD2  ASN  94          HD22      ASN  94  91.364   8.803  13.322
  720   2HD2  ASN  94          HD21      ASN  94  92.890   9.546  13.288
  721    H    ASP  95           HN       ASP  95  96.786   9.406  11.180
  722    HA   ASP  95           HA       ASP  95  99.118   9.467  11.072
  723   1HB   ASP  95          2HB       ASP  95  98.712   9.724  14.065
  724   2HB   ASP  95          3HB       ASP  95 100.299   9.799  13.307
  725    H    SER  96           HN       SER  96  97.489   6.877  11.681
  726    HA   SER  96           HA       SER  96  99.912   5.213  11.993
  727   1HB   SER  96          2HB       SER  96  97.452   4.892  13.738
  728   2HB   SER  96          3HB       SER  96  98.800   3.760  13.676
  729    HG   SER  96           HG       SER  96  99.954   6.008  14.047
  730    H    LEU  97           HN       LEU  97  97.423   5.938  10.147
  731    HA   LEU  97           HA       LEU  97  96.649   3.133   9.542
  732   1HB   LEU  97          2HB       LEU  97  95.563   5.833   8.697
  733   2HB   LEU  97          3HB       LEU  97  95.086   4.352   7.874
  734    HG   LEU  97           HG       LEU  97  93.607   5.188   9.829
  735   1HD1  LEU  97          HD12      LEU  97  94.621   2.435   9.298
  736   2HD1  LEU  97          HD11      LEU  97  93.615   2.677  10.727
  737   3HD1  LEU  97          HD13      LEU  97  92.992   3.082   9.130
  738   1HD2  LEU  97          HD22      LEU  97  95.635   5.548  11.315
  739   2HD2  LEU  97          HD21      LEU  97  94.323   4.626  12.046
  740   3HD2  LEU  97          HD23      LEU  97  95.755   3.794  11.439
  741    H    ASN  98           HN       ASN  98  99.063   2.994   8.910
  742    HA   ASN  98           HA       ASN  98  99.847   4.357   6.461
  743   1HB   ASN  98          2HB       ASN  98 101.422   3.623   8.290
  744   2HB   ASN  98          3HB       ASN  98 101.170   1.961   7.750
  745   1HD2  ASN  98          HD22      ASN  98 104.128   3.584   5.947
  746   2HD2  ASN  98          HD21      ASN  98 103.721   3.523   7.594
  747    H    VAL  99           HN       VAL  99  98.013   3.649   5.132
  748    HA   VAL  99           HA       VAL  99  98.728   1.326   3.532
  749    HB   VAL  99           HB       VAL  99  97.520   0.160   5.308
  750   1HG1  VAL  99          HG12      VAL  99  95.434   2.271   4.754
  751   2HG1  VAL  99          HG11      VAL  99  95.021   0.746   5.538
  752   3HG1  VAL  99          HG13      VAL  99  96.173   1.845   6.297
  753   1HG2  VAL  99          HG22      VAL  99  97.103  -0.207   2.705
  754   2HG2  VAL  99          HG21      VAL  99  96.172  -1.103   3.906
  755   3HG2  VAL  99          HG23      VAL  99  95.474   0.317   3.128
  756    H    THR 100           HN       THR 100  97.438   1.222   1.576
  757    HA   THR 100           HA       THR 100  95.705   3.620   1.156
  758    HB   THR 100           HB       THR 100  96.650   3.996  -1.019
  759    HG1  THR 100           HG1      THR 100  97.903   2.578  -1.994
  760   1HG2  THR 100          HG23      THR 100  98.200   4.161   1.376
  761   2HG2  THR 100          HG22      THR 100  99.284   3.744   0.048
  762   3HG2  THR 100          HG21      THR 100  98.280   5.190  -0.053
  763    H    LEU 101           HN       LEU 101  94.049   3.285  -0.460
  764    HA   LEU 101           HA       LEU 101  93.130   0.506  -0.531
  765   1HB   LEU 101          2HB       LEU 101  92.010   2.917  -1.988
  766   2HB   LEU 101          3HB       LEU 101  91.167   1.418  -1.615
  767    HG   LEU 101           HG       LEU 101  92.125   3.529   0.320
  768   1HD1  LEU 101          HD11      LEU 101  89.860   3.652  -0.916
  769   2HD1  LEU 101          HD13      LEU 101  89.390   2.275   0.079
  770   3HD1  LEU 101          HD12      LEU 101  89.830   3.804   0.840
  771   1HD2  LEU 101          HD23      LEU 101  91.296   0.660   0.772
  772   2HD2  LEU 101          HD22      LEU 101  92.704   1.508   1.413
  773   3HD2  LEU 101          HD21      LEU 101  91.093   1.879   2.031
  774    H    ALA 102           HN       ALA 102  95.300  -0.008  -1.719
  775    HA   ALA 102           HA       ALA 102  95.208   0.655  -4.605
  776   1HB   ALA 102           HB3      ALA 102  97.335   0.782  -3.185
  777   2HB   ALA 102           HB2      ALA 102  97.321  -0.984  -3.211
  778   3HB   ALA 102           HB1      ALA 102  97.460  -0.082  -4.719
  779    H    TYR 103           HN       TYR 103  94.736  -2.130  -2.486
  780    HA   TYR 103           HA       TYR 103  94.442  -3.784  -4.954
  781   1HB   TYR 103          2HB       TYR 103  95.170  -4.609  -2.140
  782   2HB   TYR 103          3HB       TYR 103  94.912  -5.731  -3.478
  783    HD1  TYR 103           HD1      TYR 103  96.460  -5.819  -5.369
  784    HD2  TYR 103           HD2      TYR 103  97.123  -3.156  -2.064
  785    HE1  TYR 103           HE1      TYR 103  98.792  -5.456  -6.125
  786    HE2  TYR 103           HE2      TYR 103  99.454  -2.795  -2.823
  787    HH   TYR 103           HH       TYR 103 101.068  -4.693  -4.733
  788    HA   PRO 104           HA       PRO 104  90.139  -4.132  -3.708
  789   1HB   PRO 104          2HB       PRO 104  89.412  -5.922  -5.632
  790   2HB   PRO 104          3HB       PRO 104  89.594  -4.187  -5.941
  791   1HG   PRO 104          2HG       PRO 104  91.394  -6.429  -6.629
  792   2HG   PRO 104          3HG       PRO 104  91.095  -4.907  -7.486
  793   1HD   PRO 104          2HD       PRO 104  93.331  -5.414  -5.918
  794   2HD   PRO 104          3HD       PRO 104  92.730  -3.796  -6.332
  795    H    VAL 105           HN       VAL 105  88.828  -5.772  -2.691
  796    HA   VAL 105           HA       VAL 105  90.372  -7.932  -1.492
  797    HB   VAL 105           HB       VAL 105  88.689  -6.784  -0.180
  798   1HG1  VAL 105          HG11      VAL 105  86.961  -7.545  -2.491
  799   2HG1  VAL 105          HG13      VAL 105  86.224  -7.488  -0.893
  800   3HG1  VAL 105          HG12      VAL 105  86.990  -6.051  -1.561
  801   1HG2  VAL 105          HG23      VAL 105  89.130  -9.303   0.079
  802   2HG2  VAL 105          HG22      VAL 105  87.641  -8.677   0.789
  803   3HG2  VAL 105          HG21      VAL 105  87.590  -9.535  -0.751
  804    H    TYR 106           HN       TYR 106  88.040  -7.636  -4.089
  805    HA   TYR 106           HA       TYR 106  88.237 -10.582  -4.528
  806   1HB   TYR 106          2HB       TYR 106  86.054  -8.599  -5.157
  807   2HB   TYR 106          3HB       TYR 106  86.134 -10.170  -5.963
  808    HD1  TYR 106           HD1      TYR 106  86.353 -12.269  -4.432
  809    HD2  TYR 106           HD2      TYR 106  85.064  -8.413  -3.043
  810    HE1  TYR 106           HE1      TYR 106  85.358 -13.323  -2.420
  811    HE2  TYR 106           HE2      TYR 106  84.075  -9.470  -1.031
  812    HH   TYR 106           HH       TYR 106  84.219 -12.997  -0.560
  813    H    ALA 107           HN       ALA 107  90.376  -9.298  -5.373
  814    HA   ALA 107           HA       ALA 107  90.284  -8.065  -7.941
  815   1HB   ALA 107           HB1      ALA 107  92.245  -8.419  -6.152
  816   2HB   ALA 107           HB3      ALA 107  92.620  -9.777  -7.213
  817   3HB   ALA 107           HB2      ALA 107  92.590  -8.136  -7.858
  818    H    GLN 108           HN       GLN 108  90.214  -8.934  -9.988
  819    HA   GLN 108           HA       GLN 108  89.530 -11.768 -10.210
  820   1HB   GLN 108          2HB       GLN 108  89.935  -9.640 -12.333
  821   2HB   GLN 108          3HB       GLN 108  89.259 -11.247 -12.613
  822   1HG   GLN 108          2HG       GLN 108  88.090  -9.277 -10.629
  823   2HG   GLN 108          3HG       GLN 108  87.524  -9.418 -12.292
  824   1HE2  GLN 108          HE22      GLN 108  86.216 -12.807 -11.694
  825   2HE2  GLN 108          HE21      GLN 108  87.122 -11.978 -12.866
  826    H    GLN 109           HN       GLN 109  92.433 -10.105  -9.979
  827    HA   GLN 109           HA       GLN 109  93.978 -11.536 -11.985
  828   1HB   GLN 109          2HB       GLN 109  94.920 -10.166  -9.443
  829   2HB   GLN 109          3HB       GLN 109  95.955 -10.702 -10.766
  830   1HG   GLN 109          2HG       GLN 109  94.871  -9.157 -12.303
  831   2HG   GLN 109          3HG       GLN 109  93.716  -8.685 -11.054
  832   1HE2  GLN 109          HE22      GLN 109  96.400  -6.119 -10.950
  833   2HE2  GLN 109          HE21      GLN 109  95.191  -6.584 -12.049
  834    H    ARG 110           HN       ARG 110  95.184 -13.416 -11.724
  835    HA   ARG 110           HA       ARG 110  95.710 -15.514 -10.842
  836   1HB   ARG 110          2HB       ARG 110  95.498 -13.959  -8.244
  837   2HB   ARG 110          3HB       ARG 110  96.121 -15.605  -8.373
  838   1HG   ARG 110          2HG       ARG 110  97.252 -13.236  -9.889
  839   2HG   ARG 110          3HG       ARG 110  97.935 -13.867  -8.388
  840   1HD   ARG 110          2HD       ARG 110  97.692 -16.143  -9.911
  841   2HD   ARG 110          3HD       ARG 110  98.104 -14.944 -11.130
  842    HE   ARG 110           HE       ARG 110  99.987 -16.125  -9.462
  843   1HH1  ARG 110          HH21      ARG 110  98.810 -12.915  -9.967
  844   2HH1  ARG 110          HH22      ARG 110 100.275 -12.162  -9.448
  845   1HH2  ARG 110          HH11      ARG 110 101.900 -15.152  -8.797
  846   2HH2  ARG 110          HH12      ARG 110 102.023 -13.424  -8.785
  847    H    ARG 111           HN       ARG 111  93.126 -15.306 -11.631
  848    HA   ARG 111           HA       ARG 111  91.452 -16.326  -9.398
  849   1HB   ARG 111          2HB       ARG 111  90.458 -14.561 -10.783
  850   2HB   ARG 111          3HB       ARG 111  90.718 -15.531 -12.233
  851   1HG   ARG 111          2HG       ARG 111  89.262 -17.294 -11.299
  852   2HG   ARG 111          3HG       ARG 111  88.964 -16.287  -9.879
  853   1HD   ARG 111          2HD       ARG 111  88.415 -14.539 -11.902
  854   2HD   ARG 111          3HD       ARG 111  87.878 -16.055 -12.616
  855    HE   ARG 111           HE       ARG 111  86.385 -14.609 -10.752
  856   1HH1  ARG 111          HH21      ARG 111  87.803 -17.761 -10.896
  857   2HH1  ARG 111          HH22      ARG 111  86.674 -18.453  -9.785
  858   1HH2  ARG 111          HH11      ARG 111  84.879 -15.517  -9.358
  859   2HH2  ARG 111          HH12      ARG 111  84.978 -17.202  -8.969
   
  No H/Q in entry =         859
  Start of MODEL   14
    1   1H    GLU   1           HT1      GLU   1  95.381  -3.515 -19.468
    2   2H    GLU   1           HT3      GLU   1  96.277  -4.506 -18.421
    3   3H    GLU   1           HT2      GLU   1  96.191  -4.878 -20.078
    4    HA   GLU   1           HA       GLU   1  94.092  -5.706 -19.962
    5   1HB   GLU   1          2HB       GLU   1  95.288  -6.134 -17.204
    6   2HB   GLU   1          3HB       GLU   1  93.910  -7.036 -17.839
    7   1HG   GLU   1          2HG       GLU   1  95.286  -7.796 -19.743
    8   2HG   GLU   1          3HG       GLU   1  96.671  -6.920 -19.088
    9    H    ASP   2           HN       ASP   2  92.126  -6.006 -18.232
   10    HA   ASP   2           HA       ASP   2  90.981  -3.370 -18.031
   11   1HB   ASP   2          2HB       ASP   2  90.114  -6.076 -16.992
   12   2HB   ASP   2          3HB       ASP   2  89.154  -4.616 -16.750
   13    H    LEU   3           HN       LEU   3  90.587  -2.109 -16.162
   14    HA   LEU   3           HA       LEU   3  92.514  -2.567 -13.986
   15   1HB   LEU   3          2HB       LEU   3  91.946  -0.306 -15.162
   16   2HB   LEU   3          3HB       LEU   3  90.529  -0.307 -14.116
   17    HG   LEU   3           HG       LEU   3  92.061  -0.582 -12.146
   18   1HD1  LEU   3          HD13      LEU   3  93.984  -0.787 -14.344
   19   2HD1  LEU   3          HD12      LEU   3  94.460   0.408 -13.137
   20   3HD1  LEU   3          HD11      LEU   3  94.161  -1.263 -12.656
   21   1HD2  LEU   3          HD23      LEU   3  92.107   1.790 -13.987
   22   2HD2  LEU   3          HD22      LEU   3  91.368   1.635 -12.398
   23   3HD2  LEU   3          HD21      LEU   3  93.113   1.816 -12.540
   24    HA   PRO   4           HA       PRO   4  89.448  -4.776 -11.567
   25   1HB   PRO   4          2HB       PRO   4  90.982  -3.625  -9.281
   26   2HB   PRO   4          3HB       PRO   4  90.543  -5.311  -9.609
   27   1HG   PRO   4          2HG       PRO   4  93.030  -4.371  -9.976
   28   2HG   PRO   4          3HG       PRO   4  92.335  -5.656 -10.975
   29   1HD   PRO   4          2HD       PRO   4  92.887  -2.829 -11.681
   30   2HD   PRO   4          3HD       PRO   4  92.757  -4.262 -12.727
   31    H    HIS   5           HN       HIS   5  90.193  -1.395 -11.268
   32    HA   HIS   5           HA       HIS   5  88.130  -0.712  -9.358
   33   1HB   HIS   5          2HB       HIS   5  89.585   0.972 -11.407
   34   2HB   HIS   5          3HB       HIS   5  88.575   1.614 -10.109
   35    HD1  HIS   5           HD1      HIS   5  89.420  -0.371  -7.883
   36    HD2  HIS   5           HD2      HIS   5  92.117   1.627 -10.351
   37    HE1  HIS   5           HE1      HIS   5  91.636  -0.385  -6.667
   38    H    HIS   6           HN       HIS   6  88.232  -1.115 -12.844
   39    HA   HIS   6           HA       HIS   6  85.723   0.201 -13.397
   40   1HB   HIS   6          2HB       HIS   6  87.253  -1.972 -14.860
   41   2HB   HIS   6          3HB       HIS   6  85.811  -1.185 -15.509
   42    HD1  HIS   6           HD1      HIS   6  86.163   1.692 -15.051
   43    HD2  HIS   6           HD2      HIS   6  89.444  -0.717 -15.959
   44    HE1  HIS   6           HE1      HIS   6  87.974   3.243 -15.904
   45    H    ASP   7           HN       ASP   7  86.669  -2.798 -12.015
   46    HA   ASP   7           HA       ASP   7  83.967  -3.966 -12.297
   47   1HB   ASP   7          2HB       ASP   7  86.557  -5.077 -11.165
   48   2HB   ASP   7          3HB       ASP   7  85.028  -5.955 -11.178
   49    H    GLU   8           HN       GLU   8  82.561  -3.276 -10.783
   50    HA   GLU   8           HA       GLU   8  83.362  -2.012  -8.331
   51   1HB   GLU   8          2HB       GLU   8  81.212  -1.646  -9.644
   52   2HB   GLU   8          3HB       GLU   8  80.646  -3.171  -8.965
   53   1HG   GLU   8          2HG       GLU   8  81.335  -2.145  -6.686
   54   2HG   GLU   8          3HG       GLU   8  81.291  -0.607  -7.539
   55    H    LYS   9           HN       LYS   9  82.380  -5.328  -9.125
   56    HA   LYS   9           HA       LYS   9  81.989  -6.132  -6.386
   57   1HB   LYS   9          2HB       LYS   9  81.548  -8.248  -7.226
   58   2HB   LYS   9          3HB       LYS   9  81.194  -7.236  -8.622
   59   1HG   LYS   9          2HG       LYS   9  83.802  -8.703  -8.128
   60   2HG   LYS   9          3HG       LYS   9  82.552  -9.170  -9.279
   61   1HD   LYS   9          2HD       LYS   9  83.993  -6.511  -9.343
   62   2HD   LYS   9          3HD       LYS   9  84.444  -7.901 -10.326
   63   1HE   LYS   9          2HE       LYS   9  81.963  -6.208 -10.469
   64   2HE   LYS   9          3HE       LYS   9  83.048  -6.701 -11.768
   65   1HZ   LYS   9           HZ1      LYS   9  81.236  -8.518 -10.262
   66   2HZ   LYS   9           HZ3      LYS   9  80.953  -7.928 -11.827
   67   3HZ   LYS   9           HZ2      LYS   9  82.264  -8.969 -11.538
   68    H    THR  10           HN       THR  10  84.845  -5.522  -8.169
   69    HA   THR  10           HA       THR  10  86.578  -7.448  -6.949
   70    HB   THR  10           HB       THR  10  88.357  -5.639  -7.461
   71    HG1  THR  10           HG1      THR  10  86.068  -4.509  -8.687
   72   1HG2  THR  10          HG22      THR  10  86.535  -6.724  -9.620
   73   2HG2  THR  10          HG21      THR  10  88.148  -6.070  -9.906
   74   3HG2  THR  10          HG23      THR  10  87.947  -7.530  -8.936
   75    H    TRP  11           HN       TRP  11  85.427  -4.262  -5.919
   76    HA   TRP  11           HA       TRP  11  86.722  -4.786  -3.279
   77   1HB   TRP  11          2HB       TRP  11  86.197  -2.134  -3.173
   78   2HB   TRP  11          3HB       TRP  11  87.717  -2.787  -3.790
   79    HD1  TRP  11           HD1      TRP  11  87.622  -3.424  -6.511
   80    HE1  TRP  11           HE1      TRP  11  86.585  -2.049  -8.435
   81    HE3  TRP  11           HE3      TRP  11  84.504  -0.405  -3.829
   82    HZ2  TRP  11           HZ2      TRP  11  84.707   0.104  -8.764
   83    HZ3  TRP  11           HZ3      TRP  11  83.109   1.296  -4.965
   84    HH2  TRP  11           HH2      TRP  11  83.206   1.551  -7.425
   85    H    ASN  12           HN       ASN  12  83.745  -3.936  -4.949
   86    HA   ASN  12           HA       ASN  12  82.326  -3.422  -2.424
   87   1HB   ASN  12          2HB       ASN  12  81.830  -2.233  -4.615
   88   2HB   ASN  12          3HB       ASN  12  81.098  -3.742  -5.169
   89   1HD2  ASN  12          HD22      ASN  12  78.126  -2.362  -3.765
   90   2HD2  ASN  12          HD21      ASN  12  78.960  -2.673  -5.211
   91    H    VAL  13           HN       VAL  13  81.562  -5.021  -1.208
   92    HA   VAL  13           HA       VAL  13  80.400  -7.420  -2.513
   93    HB   VAL  13           HB       VAL  13  82.803  -7.872  -1.783
   94   1HG1  VAL  13          HG13      VAL  13  81.987  -6.543   0.506
   95   2HG1  VAL  13          HG12      VAL  13  81.973  -8.234   1.000
   96   3HG1  VAL  13          HG11      VAL  13  83.450  -7.520   0.362
   97   1HG2  VAL  13          HG22      VAL  13  80.353  -9.375  -1.008
   98   2HG2  VAL  13          HG21      VAL  13  81.708  -9.885  -2.015
   99   3HG2  VAL  13          HG23      VAL  13  81.856  -9.910  -0.257
  100    H    GLY  14           HN       GLY  14  79.307  -5.043  -1.229
  101   1HA   GLY  14          2HA       GLY  14  78.510  -5.100   1.389
  102   2HA   GLY  14          3HA       GLY  14  77.380  -4.685   0.102
  103    H    SER  15           HN       SER  15  77.808  -7.544  -0.961
  104    HA   SER  15           HA       SER  15  75.486  -8.727   0.216
  105   1HB   SER  15          2HB       SER  15  76.132 -10.748  -0.984
  106   2HB   SER  15          3HB       SER  15  76.453  -9.358  -2.017
  107    HG   SER  15           HG       SER  15  78.618  -9.492  -1.467
  108    H    SER  16           HN       SER  16  78.743  -8.505   1.262
  109    HA   SER  16           HA       SER  16  78.520 -10.842   3.061
  110   1HB   SER  16          2HB       SER  16  80.762  -8.858   2.652
  111   2HB   SER  16          3HB       SER  16  80.852 -10.311   3.639
  112    HG   SER  16           HG       SER  16  80.011 -10.522   0.970
  113    H    ASN  17           HN       ASN  17  78.484 -10.677   5.297
  114    HA   ASN  17           HA       ASN  17  77.412  -8.188   6.397
  115   1HB   ASN  17          2HB       ASN  17  77.224  -9.464   8.470
  116   2HB   ASN  17          3HB       ASN  17  76.642 -10.448   7.123
  117   1HD2  ASN  17          HD22      ASN  17  78.871 -12.779   8.790
  118   2HD2  ASN  17          HD21      ASN  17  77.289 -12.181   8.905
  119    H    ARG  18           HN       ARG  18  78.431  -7.299   8.467
  120    HA   ARG  18           HA       ARG  18  81.104  -6.471   7.953
  121   1HB   ARG  18          2HB       ARG  18  79.368  -6.354  10.420
  122   2HB   ARG  18          3HB       ARG  18  81.020  -5.738  10.425
  123   1HG   ARG  18          2HG       ARG  18  80.477  -4.247   8.527
  124   2HG   ARG  18          3HG       ARG  18  78.818  -4.852   8.524
  125   1HD   ARG  18          2HD       ARG  18  80.149  -3.489  10.889
  126   2HD   ARG  18          3HD       ARG  18  79.056  -2.686   9.759
  127    HE   ARG  18           HE       ARG  18  77.566  -4.825  10.634
  128   1HH1  ARG  18          HH21      ARG  18  79.386  -2.300  12.121
  129   2HH1  ARG  18          HH22      ARG  18  78.404  -2.257  13.546
  130   1HH2  ARG  18          HH11      ARG  18  76.293  -4.787  12.500
  131   2HH2  ARG  18          HH12      ARG  18  76.657  -3.652  13.756
  132    H    ASN  19           HN       ASN  19  79.883  -9.083  10.087
  133    HA   ASN  19           HA       ASN  19  82.415  -9.711  11.278
  134   1HB   ASN  19          2HB       ASN  19  79.922 -11.346  10.763
  135   2HB   ASN  19          3HB       ASN  19  81.338 -12.038  11.558
  136   1HD2  ASN  19          HD22      ASN  19  80.894  -9.248  14.130
  137   2HD2  ASN  19          HD21      ASN  19  82.014  -9.423  12.867
  138    H    LYS  20           HN       LYS  20  80.805 -10.965   8.366
  139    HA   LYS  20           HA       LYS  20  82.821 -12.861   7.675
  140   1HB   LYS  20          2HB       LYS  20  80.558 -12.745   6.600
  141   2HB   LYS  20          3HB       LYS  20  81.073 -11.278   5.765
  142   1HG   LYS  20          2HG       LYS  20  81.499 -12.972   4.189
  143   2HG   LYS  20          3HG       LYS  20  83.074 -12.713   4.938
  144   1HD   LYS  20          2HD       LYS  20  82.749 -14.639   6.402
  145   2HD   LYS  20          3HD       LYS  20  81.105 -14.853   5.808
  146   1HE   LYS  20          2HE       LYS  20  83.545 -14.989   4.014
  147   2HE   LYS  20          3HE       LYS  20  82.812 -16.409   4.758
  148   1HZ   LYS  20           HZ1      LYS  20  80.873 -14.745   3.494
  149   2HZ   LYS  20           HZ3      LYS  20  82.065 -15.245   2.398
  150   3HZ   LYS  20           HZ2      LYS  20  81.180 -16.402   3.272
  151    H    ALA  21           HN       ALA  21  82.520  -9.388   7.078
  152    HA   ALA  21           HA       ALA  21  84.637  -9.089   5.203
  153   1HB   ALA  21           HB1      ALA  21  82.920  -7.330   6.129
  154   2HB   ALA  21           HB3      ALA  21  84.135  -7.061   7.378
  155   3HB   ALA  21           HB2      ALA  21  84.537  -6.784   5.683
  156    H    GLU  22           HN       GLU  22  84.616  -9.353   8.731
  157    HA   GLU  22           HA       GLU  22  87.312  -8.650   9.257
  158   1HB   GLU  22          2HB       GLU  22  85.489 -10.662  10.603
  159   2HB   GLU  22          3HB       GLU  22  87.066 -10.199  11.242
  160   1HG   GLU  22          2HG       GLU  22  86.376  -7.874  11.412
  161   2HG   GLU  22          3HG       GLU  22  84.838  -8.239  10.634
  162    H    ASN  23           HN       ASN  23  85.887 -11.810   8.409
  163    HA   ASN  23           HA       ASN  23  88.332 -13.271   8.475
  164   1HB   ASN  23          2HB       ASN  23  85.797 -13.667   6.872
  165   2HB   ASN  23          3HB       ASN  23  87.143 -14.809   6.847
  166   1HD2  ASN  23          HD22      ASN  23  84.771 -15.853   9.562
  167   2HD2  ASN  23          HD21      ASN  23  84.611 -15.616   7.888
  168    H    LEU  24           HN       LEU  24  86.701 -11.407   5.984
  169    HA   LEU  24           HA       LEU  24  88.577 -11.938   3.865
  170   1HB   LEU  24          2HB       LEU  24  86.574  -9.709   4.342
  171   2HB   LEU  24          3HB       LEU  24  87.552  -9.815   2.880
  172    HG   LEU  24           HG       LEU  24  85.761 -12.054   3.861
  173   1HD1  LEU  24          HD13      LEU  24  85.216  -9.633   2.209
  174   2HD1  LEU  24          HD12      LEU  24  84.542 -11.156   1.625
  175   3HD1  LEU  24          HD11      LEU  24  84.123 -10.563   3.232
  176   1HD2  LEU  24          HD23      LEU  24  87.691 -11.650   1.669
  177   2HD2  LEU  24          HD22      LEU  24  87.082 -13.150   2.369
  178   3HD2  LEU  24          HD21      LEU  24  86.137 -12.299   1.147
  179    H    LEU  25           HN       LEU  25  88.287  -9.421   6.346
  180    HA   LEU  25           HA       LEU  25  90.665  -7.998   5.354
  181   1HB   LEU  25          2HB       LEU  25  88.958  -7.725   7.841
  182   2HB   LEU  25          3HB       LEU  25  90.341  -6.688   7.501
  183    HG   LEU  25           HG       LEU  25  88.419  -6.944   5.272
  184   1HD1  LEU  25          HD11      LEU  25  86.958  -6.923   7.351
  185   2HD1  LEU  25          HD13      LEU  25  87.652  -5.349   7.735
  186   3HD1  LEU  25          HD12      LEU  25  86.706  -5.559   6.260
  187   1HD2  LEU  25          HD22      LEU  25  89.823  -4.664   6.708
  188   2HD2  LEU  25          HD21      LEU  25  90.255  -5.365   5.149
  189   3HD2  LEU  25          HD23      LEU  25  88.763  -4.441   5.313
  190    H    ARG  26           HN       ARG  26  89.957 -10.632   7.419
  191    HA   ARG  26           HA       ARG  26  92.486 -10.393   8.908
  192   1HB   ARG  26          2HB       ARG  26  90.121 -12.260   9.093
  193   2HB   ARG  26          3HB       ARG  26  91.593 -12.517  10.036
  194   1HG   ARG  26          2HG       ARG  26  90.509  -9.768  10.141
  195   2HG   ARG  26          3HG       ARG  26  89.470 -10.996  10.862
  196   1HD   ARG  26          2HD       ARG  26  92.415 -10.785  11.524
  197   2HD   ARG  26          3HD       ARG  26  91.176  -9.912  12.428
  198    HE   ARG  26           HE       ARG  26  90.275 -12.530  12.430
  199   1HH1  ARG  26          HH21      ARG  26  93.160 -10.853  13.294
  200   2HH1  ARG  26          HH22      ARG  26  93.606 -11.984  14.526
  201   1HH2  ARG  26          HH11      ARG  26  90.853 -14.027  14.017
  202   2HH2  ARG  26          HH12      ARG  26  92.314 -13.796  14.916
  203    H    GLY  27           HN       GLY  27  91.049 -12.153   6.361
  204   1HA   GLY  27          2HA       GLY  27  93.325 -14.043   6.213
  205   2HA   GLY  27          3HA       GLY  27  91.849 -14.130   5.248
  206    H    LYS  28           HN       LYS  28  92.969 -10.948   5.405
  207    HA   LYS  28           HA       LYS  28  94.419 -11.261   2.800
  208   1HB   LYS  28          2HB       LYS  28  92.407  -9.146   3.614
  209   2HB   LYS  28          3HB       LYS  28  93.448  -9.007   2.197
  210   1HG   LYS  28          2HG       LYS  28  91.610 -11.358   2.694
  211   2HG   LYS  28          3HG       LYS  28  91.172  -9.966   1.699
  212   1HD   LYS  28          2HD       LYS  28  93.565 -10.530   0.601
  213   2HD   LYS  28          3HD       LYS  28  93.125 -12.149   1.148
  214   1HE   LYS  28          2HE       LYS  28  91.347 -10.363  -0.537
  215   2HE   LYS  28          3HE       LYS  28  92.343 -11.671  -1.177
  216   1HZ   LYS  28           HZ3      LYS  28  90.354 -12.098   0.974
  217   2HZ   LYS  28           HZ2      LYS  28  89.954 -12.232  -0.672
  218   3HZ   LYS  28           HZ1      LYS  28  91.118 -13.265   0.009
  219    H    ARG  29           HN       ARG  29  96.185  -9.931   2.486
  220    HA   ARG  29           HA       ARG  29  97.520  -8.953   4.884
  221   1HB   ARG  29          2HB       ARG  29  98.268  -8.900   1.946
  222   2HB   ARG  29          3HB       ARG  29  99.308  -8.272   3.223
  223   1HG   ARG  29          2HG       ARG  29  99.320 -10.487   4.308
  224   2HG   ARG  29          3HG       ARG  29  98.283 -11.118   3.030
  225   1HD   ARG  29          2HD       ARG  29 100.011 -10.609   1.348
  226   2HD   ARG  29          3HD       ARG  29 101.051  -9.936   2.605
  227    HE   ARG  29           HE       ARG  29 100.552 -12.503   3.496
  228   1HH1  ARG  29          HH21      ARG  29 101.647 -11.075   0.553
  229   2HH1  ARG  29          HH22      ARG  29 102.661 -12.412   0.128
  230   1HH2  ARG  29          HH11      ARG  29 101.870 -14.254   2.957
  231   2HH2  ARG  29          HH12      ARG  29 102.785 -14.215   1.487
  232    H    ASP  30           HN       ASP  30  98.487  -6.708   4.916
  233    HA   ASP  30           HA       ASP  30  96.531  -4.690   4.852
  234   1HB   ASP  30          2HB       ASP  30  98.360  -3.098   5.039
  235   2HB   ASP  30          3HB       ASP  30  98.728  -4.519   6.016
  236    H    GLY  31           HN       GLY  31  96.332  -2.837   3.394
  237   1HA   GLY  31          2HA       GLY  31  96.556  -1.753   1.272
  238   2HA   GLY  31          3HA       GLY  31  97.436  -3.157   0.673
  239    H    THR  32           HN       THR  32  95.435  -5.085   1.606
  240    HA   THR  32           HA       THR  32  93.608  -4.921  -0.669
  241    HB   THR  32           HB       THR  32  93.562  -6.864   1.664
  242    HG1  THR  32           HG1      THR  32  95.298  -7.649   0.840
  243   1HG2  THR  32          HG23      THR  32  91.772  -6.483  -0.424
  244   2HG2  THR  32          HG22      THR  32  92.800  -7.792  -1.006
  245   3HG2  THR  32          HG21      THR  32  91.941  -7.959   0.526
  246    H    PHE  33           HN       PHE  33  91.635  -3.908  -0.609
  247    HA   PHE  33           HA       PHE  33  90.345  -3.627   2.058
  248   1HB   PHE  33          2HB       PHE  33  90.308  -1.358   1.997
  249   2HB   PHE  33          3HB       PHE  33  91.662  -1.549   0.891
  250    HD1  PHE  33           HD1      PHE  33  91.354  -1.238  -1.540
  251    HD2  PHE  33           HD2      PHE  33  88.105  -0.808   1.218
  252    HE1  PHE  33           HE1      PHE  33  90.001  -0.092  -3.283
  253    HE2  PHE  33           HE2      PHE  33  86.784   0.319  -0.531
  254    HZ   PHE  33           HZ       PHE  33  87.712   0.667  -2.770
  255    H    LEU  34           HN       LEU  34  87.995  -2.832   1.769
  256    HA   LEU  34           HA       LEU  34  86.815  -3.656  -0.822
  257   1HB   LEU  34          2HB       LEU  34  85.342  -5.308   0.135
  258   2HB   LEU  34          3HB       LEU  34  86.987  -5.724   0.604
  259    HG   LEU  34           HG       LEU  34  86.028  -3.951   2.588
  260   1HD1  LEU  34          HD12      LEU  34  83.770  -4.678   1.551
  261   2HD1  LEU  34          HD11      LEU  34  84.109  -6.251   2.274
  262   3HD1  LEU  34          HD13      LEU  34  83.965  -4.823   3.295
  263   1HD2  LEU  34          HD21      LEU  34  86.538  -6.933   2.474
  264   2HD2  LEU  34          HD23      LEU  34  87.583  -5.679   3.142
  265   3HD2  LEU  34          HD22      LEU  34  86.090  -6.118   3.970
  266    H    VAL  35           HN       VAL  35  84.430  -3.268  -0.857
  267    HA   VAL  35           HA       VAL  35  83.657  -1.016   0.952
  268    HB   VAL  35           HB       VAL  35  83.051  -1.406  -2.000
  269   1HG1  VAL  35          HG13      VAL  35  81.603   0.062   0.059
  270   2HG1  VAL  35          HG12      VAL  35  82.212   1.145  -1.196
  271   3HG1  VAL  35          HG11      VAL  35  81.169  -0.212  -1.628
  272   1HG2  VAL  35          HG22      VAL  35  84.711   0.509  -0.379
  273   2HG2  VAL  35          HG21      VAL  35  85.205  -0.466  -1.768
  274   3HG2  VAL  35          HG23      VAL  35  84.152   0.933  -1.995
  275    H    ARG  36           HN       ARG  36  81.964  -1.540   2.209
  276    HA   ARG  36           HA       ARG  36  79.883  -3.386   1.121
  277   1HB   ARG  36          2HB       ARG  36  79.741  -4.576   3.253
  278   2HB   ARG  36          3HB       ARG  36  81.382  -4.698   2.625
  279   1HG   ARG  36          2HG       ARG  36  82.002  -2.741   4.093
  280   2HG   ARG  36          3HG       ARG  36  80.398  -2.852   4.818
  281   1HD   ARG  36          2HD       ARG  36  82.394  -5.119   4.722
  282   2HD   ARG  36          3HD       ARG  36  82.136  -4.095   6.127
  283    HE   ARG  36           HE       ARG  36  80.567  -6.371   5.337
  284   1HH1  ARG  36          HH21      ARG  36  80.206  -3.140   6.504
  285   2HH1  ARG  36          HH22      ARG  36  78.571  -3.382   7.021
  286   1HH2  ARG  36          HH11      ARG  36  78.458  -6.693   6.006
  287   2HH2  ARG  36          HH12      ARG  36  77.590  -5.397   6.761
  288    H    GLU  37           HN       GLU  37  77.995  -3.337   3.063
  289    HA   GLU  37           HA       GLU  37  77.351  -0.447   3.213
  290   1HB   GLU  37          2HB       GLU  37  75.656  -2.890   3.833
  291   2HB   GLU  37          3HB       GLU  37  75.078  -1.224   3.819
  292   1HG   GLU  37          2HG       GLU  37  75.964  -1.136   1.399
  293   2HG   GLU  37          3HG       GLU  37  76.028  -2.894   1.502
  294    H    SER  38           HN       SER  38  76.097   0.092   5.399
  295    HA   SER  38           HA       SER  38  77.982  -0.482   7.560
  296   1HB   SER  38          2HB       SER  38  75.346   0.996   7.417
  297   2HB   SER  38          3HB       SER  38  76.196   0.747   8.939
  298    HG   SER  38           HG       SER  38  77.289   1.975   6.615
  299    H    SER  39           HN       SER  39  76.022  -2.352   6.043
  300    HA   SER  39           HA       SER  39  75.469  -4.557   6.706
  301   1HB   SER  39          2HB       SER  39  76.461  -3.961   9.022
  302   2HB   SER  39          3HB       SER  39  74.810  -3.550   9.477
  303    HG   SER  39           HG       SER  39  75.976  -5.977   9.176
  304    H    LYS  40           HN       LYS  40  73.383  -2.388   8.736
  305    HA   LYS  40           HA       LYS  40  71.109  -3.431   7.095
  306   1HB   LYS  40          2HB       LYS  40  71.177  -2.414   9.945
  307   2HB   LYS  40          3HB       LYS  40  69.683  -2.746   9.070
  308   1HG   LYS  40          2HG       LYS  40  71.017  -5.067   8.610
  309   2HG   LYS  40          3HG       LYS  40  71.678  -4.637  10.189
  310   1HD   LYS  40          2HD       LYS  40  69.416  -4.402  11.100
  311   2HD   LYS  40          3HD       LYS  40  68.723  -4.782   9.520
  312   1HE   LYS  40          2HE       LYS  40  69.733  -7.005   9.572
  313   2HE   LYS  40          3HE       LYS  40  70.528  -6.634  11.102
  314   1HZ   LYS  40           HZ2      LYS  40  67.597  -6.675  10.649
  315   2HZ   LYS  40           HZ1      LYS  40  68.492  -7.894  11.424
  316   3HZ   LYS  40           HZ3      LYS  40  68.374  -6.355  12.126
  317    H    GLN  41           HN       GLN  41  72.221  -0.370   8.652
  318    HA   GLN  41           HA       GLN  41  70.104   1.166   7.425
  319   1HB   GLN  41          2HB       GLN  41  71.319   3.149   8.149
  320   2HB   GLN  41          3HB       GLN  41  71.345   1.950   9.438
  321   1HG   GLN  41          2HG       GLN  41  73.606   1.263   8.794
  322   2HG   GLN  41          3HG       GLN  41  73.578   2.392   7.439
  323   1HE2  GLN  41          HE22      GLN  41  73.431   5.224   9.883
  324   2HE2  GLN  41          HE21      GLN  41  72.385   4.642   8.681
  325    H    GLY  42           HN       GLY  42  70.425   2.851   5.743
  326   1HA   GLY  42          2HA       GLY  42  71.777   1.701   3.436
  327   2HA   GLY  42          3HA       GLY  42  70.864   3.208   3.452
  328    H    CYS  43           HN       CYS  43  73.778   2.199   5.280
  329    HA   CYS  43           HA       CYS  43  75.135   4.628   4.171
  330   1HB   CYS  43          2HB       CYS  43  75.513   3.229   6.834
  331   2HB   CYS  43          3HB       CYS  43  76.511   4.567   6.262
  332    HG   CYS  43           HG       CYS  43  74.224   5.994   6.159
  333    H    TYR  44           HN       TYR  44  77.440   4.372   3.678
  334    HA   TYR  44           HA       TYR  44  78.161   1.524   3.115
  335   1HB   TYR  44          2HB       TYR  44  78.933   4.044   1.632
  336   2HB   TYR  44          3HB       TYR  44  79.575   2.441   1.273
  337    HD1  TYR  44           HD1      TYR  44  78.023   0.621   0.493
  338    HD2  TYR  44           HD2      TYR  44  76.767   4.700   0.941
  339    HE1  TYR  44           HE1      TYR  44  76.043   0.168  -0.939
  340    HE2  TYR  44           HE2      TYR  44  74.793   4.256  -0.485
  341    HH   TYR  44           HH       TYR  44  74.472   2.012  -2.524
  342    H    ALA  45           HN       ALA  45  80.370   0.906   3.365
  343    HA   ALA  45           HA       ALA  45  82.160   2.816   4.761
  344   1HB   ALA  45           HB1      ALA  45  80.988   0.308   5.918
  345   2HB   ALA  45           HB3      ALA  45  82.622   0.783   6.383
  346   3HB   ALA  45           HB2      ALA  45  81.266   1.866   6.692
  347    H    CYS  46           HN       CYS  46  84.300   2.510   4.097
  348    HA   CYS  46           HA       CYS  46  84.807   0.091   2.424
  349   1HB   CYS  46          2HB       CYS  46  86.552   2.574   2.659
  350   2HB   CYS  46          3HB       CYS  46  86.733   1.263   1.484
  351    HG   CYS  46           HG       CYS  46  84.402   1.994   0.456
  352    H    SER  47           HN       SER  47  85.683  -1.559   3.539
  353    HA   SER  47           HA       SER  47  87.213  -0.968   5.992
  354   1HB   SER  47          2HB       SER  47  85.498  -2.764   6.026
  355   2HB   SER  47          3HB       SER  47  86.425  -3.643   4.810
  356    HG   SER  47           HG       SER  47  87.750  -2.757   7.100
  357    H    VAL  48           HN       VAL  48  89.390  -1.388   6.241
  358    HA   VAL  48           HA       VAL  48  90.819  -2.411   3.832
  359    HB   VAL  48           HB       VAL  48  92.049  -0.330   5.600
  360   1HG1  VAL  48          HG12      VAL  48  92.990  -1.624   3.475
  361   2HG1  VAL  48          HG11      VAL  48  92.148  -0.328   2.626
  362   3HG1  VAL  48          HG13      VAL  48  93.407   0.058   3.795
  363   1HG2  VAL  48          HG22      VAL  48  89.986   0.245   3.447
  364   2HG2  VAL  48          HG21      VAL  48  89.831   0.604   5.167
  365   3HG2  VAL  48          HG23      VAL  48  91.027   1.458   4.192
  366    H    VAL  49           HN       VAL  49  92.906  -3.413   4.345
  367    HA   VAL  49           HA       VAL  49  93.006  -4.482   7.130
  368    HB   VAL  49           HB       VAL  49  94.423  -5.412   4.621
  369   1HG1  VAL  49          HG12      VAL  49  95.030  -5.840   7.358
  370   2HG1  VAL  49          HG11      VAL  49  94.355  -7.347   6.739
  371   3HG1  VAL  49          HG13      VAL  49  95.759  -6.622   5.957
  372   1HG2  VAL  49          HG22      VAL  49  91.968  -6.380   6.080
  373   2HG2  VAL  49          HG21      VAL  49  92.170  -6.074   4.356
  374   3HG2  VAL  49          HG23      VAL  49  92.930  -7.481   5.097
  375    H    VAL  50           HN       VAL  50  94.790  -3.926   8.460
  376    HA   VAL  50           HA       VAL  50  96.896  -2.324   7.077
  377    HB   VAL  50           HB       VAL  50  95.399  -1.800   9.618
  378   1HG1  VAL  50          HG13      VAL  50  98.315  -1.242   9.117
  379   2HG1  VAL  50          HG12      VAL  50  97.351  -0.110  10.062
  380   3HG1  VAL  50          HG11      VAL  50  97.527  -1.778  10.600
  381   1HG2  VAL  50          HG21      VAL  50  96.543  -0.050   7.415
  382   2HG2  VAL  50          HG23      VAL  50  94.867  -0.583   7.533
  383   3HG2  VAL  50          HG22      VAL  50  95.535   0.509   8.746
  384    H    ASP  51           HN       ASP  51  98.981  -2.539   7.755
  385    HA   ASP  51           HA       ASP  51  99.929  -5.071   8.506
  386   1HB   ASP  51          2HB       ASP  51 101.205  -2.329   8.696
  387   2HB   ASP  51          3HB       ASP  51 102.094  -3.834   8.957
  388    H    GLY  52           HN       GLY  52  98.076  -3.330  10.445
  389   1HA   GLY  52          2HA       GLY  52  99.479  -4.345  12.858
  390   2HA   GLY  52          3HA       GLY  52  98.858  -2.695  12.845
  391    H    GLU  53           HN       GLU  53  96.371  -3.245  11.439
  392    HA   GLU  53           HA       GLU  53  95.016  -5.354  12.946
  393   1HB   GLU  53          2HB       GLU  53  94.999  -3.932  14.789
  394   2HB   GLU  53          3HB       GLU  53  94.878  -2.477  13.797
  395   1HG   GLU  53          2HG       GLU  53  92.591  -2.920  13.274
  396   2HG   GLU  53          3HG       GLU  53  92.684  -4.544  13.955
  397    H    VAL  54           HN       VAL  54  92.608  -5.362  12.446
  398    HA   VAL  54           HA       VAL  54  92.150  -4.839   9.639
  399    HB   VAL  54           HB       VAL  54  90.195  -5.449  11.886
  400   1HG1  VAL  54          HG11      VAL  54  89.809  -4.812   9.047
  401   2HG1  VAL  54          HG13      VAL  54  89.107  -6.362   9.509
  402   3HG1  VAL  54          HG12      VAL  54  88.625  -4.892  10.351
  403   1HG2  VAL  54          HG21      VAL  54  92.015  -7.132  11.373
  404   2HG2  VAL  54          HG23      VAL  54  90.375  -7.739  11.156
  405   3HG2  VAL  54          HG22      VAL  54  91.336  -7.276   9.753
  406    H    LYS  55           HN       LYS  55  91.260  -2.992   8.681
  407    HA   LYS  55           HA       LYS  55  90.436  -0.830  10.580
  408   1HB   LYS  55          2HB       LYS  55  91.432  -0.526   7.729
  409   2HB   LYS  55          3HB       LYS  55  91.080   0.774   8.870
  410   1HG   LYS  55          2HG       LYS  55  93.291  -1.275   9.035
  411   2HG   LYS  55          3HG       LYS  55  93.434   0.481   8.941
  412   1HD   LYS  55          2HD       LYS  55  92.077   0.524  11.120
  413   2HD   LYS  55          3HD       LYS  55  92.460  -1.192  11.243
  414   1HE   LYS  55          2HE       LYS  55  94.761  -0.797  11.471
  415   2HE   LYS  55          3HE       LYS  55  94.651   0.823  10.789
  416   1HZ   LYS  55           HZ3      LYS  55  93.465  -0.024  13.374
  417   2HZ   LYS  55           HZ2      LYS  55  94.911   0.856  13.209
  418   3HZ   LYS  55           HZ1      LYS  55  93.432   1.544  12.729
  419    H    HIS  56           HN       HIS  56  88.459   0.099  10.309
  420    HA   HIS  56           HA       HIS  56  86.791  -0.960   8.081
  421   1HB   HIS  56          2HB       HIS  56  86.317  -1.716  10.508
  422   2HB   HIS  56          3HB       HIS  56  85.738  -0.070  10.762
  423    HD1  HIS  56           HD1      HIS  56  84.825  -3.303   9.187
  424    HD2  HIS  56           HD2      HIS  56  83.450   0.618   9.157
  425    HE1  HIS  56           HE1      HIS  56  82.506  -3.372   8.167
  426    H    CYS  57           HN       CYS  57  87.326   0.924   6.772
  427    HA   CYS  57           HA       CYS  57  86.972   3.626   7.769
  428   1HB   CYS  57          2HB       CYS  57  88.158   2.581   5.550
  429   2HB   CYS  57          3HB       CYS  57  86.635   3.152   4.864
  430    HG   CYS  57           HG       CYS  57  88.866   4.939   5.994
  431    H    VAL  58           HN       VAL  58  85.150   4.916   7.673
  432    HA   VAL  58           HA       VAL  58  82.649   3.520   6.867
  433    HB   VAL  58           HB       VAL  58  83.335   5.577   8.945
  434   1HG1  VAL  58          HG13      VAL  58  80.718   5.197   7.536
  435   2HG1  VAL  58          HG12      VAL  58  80.712   5.557   9.265
  436   3HG1  VAL  58          HG11      VAL  58  81.466   6.681   8.131
  437   1HG2  VAL  58          HG22      VAL  58  82.476   2.779   8.860
  438   2HG2  VAL  58          HG21      VAL  58  83.186   3.693  10.189
  439   3HG2  VAL  58          HG23      VAL  58  81.449   3.754   9.907
  440    H    ILE  59           HN       ILE  59  81.471   4.294   5.205
  441    HA   ILE  59           HA       ILE  59  82.194   6.976   4.115
  442    HB   ILE  59           HB       ILE  59  80.759   4.687   2.718
  443   1HG1  ILE  59          HG12      ILE  59  83.089   4.066   3.246
  444   2HG1  ILE  59          HG11      ILE  59  82.893   4.339   1.517
  445   1HG2  ILE  59          HG23      ILE  59  81.951   7.284   1.731
  446   2HG2  ILE  59          HG22      ILE  59  81.350   6.001   0.685
  447   3HG2  ILE  59          HG21      ILE  59  80.240   6.853   1.756
  448   1HD1  ILE  59          HD12      ILE  59  83.650   6.765   2.027
  449   2HD1  ILE  59          HD11      ILE  59  84.231   6.107   3.555
  450   3HD1  ILE  59          HD13      ILE  59  84.873   5.495   2.033
  451    H    ASN  60           HN       ASN  60  80.694   8.512   4.694
  452    HA   ASN  60           HA       ASN  60  77.980   7.601   5.476
  453   1HB   ASN  60          2HB       ASN  60  79.306   9.182   6.936
  454   2HB   ASN  60          3HB       ASN  60  79.149  10.392   5.662
  455   1HD2  ASN  60          HD22      ASN  60  76.170  11.386   7.312
  456   2HD2  ASN  60          HD21      ASN  60  77.767  11.809   6.929
  457    H    LYS  61           HN       LYS  61  76.492   7.522   3.839
  458    HA   LYS  61           HA       LYS  61  76.823   9.250   1.488
  459   1HB   LYS  61          2HB       LYS  61  76.024   6.872   1.323
  460   2HB   LYS  61          3HB       LYS  61  74.528   7.378   2.111
  461   1HG   LYS  61          2HG       LYS  61  74.278   9.129   0.293
  462   2HG   LYS  61          3HG       LYS  61  75.628   8.361  -0.536
  463   1HD   LYS  61          2HD       LYS  61  74.093   7.021  -1.504
  464   2HD   LYS  61          3HD       LYS  61  73.949   6.229   0.065
  465   1HE   LYS  61          2HE       LYS  61  72.177   7.865   0.695
  466   2HE   LYS  61          3HE       LYS  61  72.287   8.572  -0.916
  467   1HZ   LYS  61           HZ2      LYS  61  72.036   5.826  -1.242
  468   2HZ   LYS  61           HZ1      LYS  61  70.870   6.281  -0.094
  469   3HZ   LYS  61           HZ3      LYS  61  70.890   7.021  -1.620
  470    H    THR  62           HN       THR  62  76.050  11.265   1.440
  471    HA   THR  62           HA       THR  62  73.449  11.877   2.748
  472    HB   THR  62           HB       THR  62  75.993  13.495   3.128
  473    HG1  THR  62           HG1      THR  62  74.827  12.869   5.386
  474   1HG2  THR  62          HG21      THR  62  73.152  13.982   4.065
  475   2HG2  THR  62          HG23      THR  62  74.558  14.921   4.569
  476   3HG2  THR  62          HG22      THR  62  74.039  14.948   2.884
  477    H    ALA  63           HN       ALA  63  72.474  13.877   1.843
  478    HA   ALA  63           HA       ALA  63  72.648  14.018  -0.971
  479   1HB   ALA  63           HB1      ALA  63  71.484  15.748   1.158
  480   2HB   ALA  63           HB3      ALA  63  71.733  16.499  -0.417
  481   3HB   ALA  63           HB2      ALA  63  70.720  15.064  -0.275
  482    H    THR  64           HN       THR  64  74.307  15.995   1.502
  483    HA   THR  64           HA       THR  64  75.981  17.143  -0.672
  484    HB   THR  64           HB       THR  64  76.468  18.888   1.064
  485    HG1  THR  64           HG1      THR  64  75.928  17.702   2.881
  486   1HG2  THR  64          HG22      THR  64  74.417  18.738  -0.688
  487   2HG2  THR  64          HG21      THR  64  73.521  18.893   0.824
  488   3HG2  THR  64          HG23      THR  64  74.689  20.129   0.359
  489    H    GLY  65           HN       GLY  65  76.236  14.579   1.252
  490   1HA   GLY  65          2HA       GLY  65  79.100  15.167   1.911
  491   2HA   GLY  65          3HA       GLY  65  78.074  14.238   3.004
  492    H    TYR  66           HN       TYR  66  79.266  12.335   2.898
  493    HA   TYR  66           HA       TYR  66  78.653  10.329   1.115
  494   1HB   TYR  66          2HB       TYR  66  79.610  11.441  -0.772
  495   2HB   TYR  66          3HB       TYR  66  81.038  11.921   0.151
  496    HD1  TYR  66           HD2      TYR  66  79.243   9.058  -1.366
  497    HD2  TYR  66           HD1      TYR  66  82.855  10.393   0.536
  498    HE1  TYR  66           HE2      TYR  66  80.348   6.920  -1.964
  499    HE2  TYR  66           HE1      TYR  66  83.965   8.259  -0.068
  500    HH   TYR  66           HH       TYR  66  83.139   6.318  -2.303
  501    H    GLY  67           HN       GLY  67  80.711  11.803   3.352
  502   1HA   GLY  67          2HA       GLY  67  81.300  10.049   5.191
  503   2HA   GLY  67          3HA       GLY  67  82.207   9.279   3.884
  504    H    PHE  68           HN       PHE  68  83.992  10.504   2.917
  505    HA   PHE  68           HA       PHE  68  85.454  12.106   4.891
  506   1HB   PHE  68          2HB       PHE  68  86.027  11.064   2.124
  507   2HB   PHE  68          3HB       PHE  68  87.083  12.273   2.849
  508    HD1  PHE  68           HD1      PHE  68  85.665   8.852   3.314
  509    HD2  PHE  68           HD2      PHE  68  88.661  11.687   4.517
  510    HE1  PHE  68           HE1      PHE  68  86.853   7.070   4.569
  511    HE2  PHE  68           HE2      PHE  68  89.848   9.906   5.768
  512    HZ   PHE  68           HZ       PHE  68  88.950   7.598   5.791
  513    H    ALA  69           HN       ALA  69  86.124  14.323   4.538
  514    HA   ALA  69           HA       ALA  69  84.652  15.770   2.372
  515   1HB   ALA  69           HB3      ALA  69  84.739  16.417   5.322
  516   2HB   ALA  69           HB2      ALA  69  84.322  17.624   4.105
  517   3HB   ALA  69           HB1      ALA  69  83.321  16.186   4.300
  518    H    GLU  70           HN       GLU  70  87.508  14.981   2.570
  519    HA   GLU  70           HA       GLU  70  89.108  17.197   3.405
  520   1HB   GLU  70          2HB       GLU  70  89.916  14.848   2.718
  521   2HB   GLU  70          3HB       GLU  70  89.804  15.429   1.057
  522   1HG   GLU  70          2HG       GLU  70  92.040  15.886   1.674
  523   2HG   GLU  70          3HG       GLU  70  91.209  17.431   1.824
  524    HA   PRO  71           HA       PRO  71  88.282  18.956  -0.916
  525   1HB   PRO  71          2HB       PRO  71  86.600  17.656  -2.595
  526   2HB   PRO  71          3HB       PRO  71  88.284  17.148  -2.374
  527   1HG   PRO  71          2HG       PRO  71  85.823  15.845  -1.484
  528   2HG   PRO  71          3HG       PRO  71  87.452  15.179  -1.672
  529   1HD   PRO  71          2HD       PRO  71  86.155  16.109   0.764
  530   2HD   PRO  71          3HD       PRO  71  87.716  15.282   0.589
  531    H    TYR  72           HN       TYR  72  86.309  18.646   1.478
  532    HA   TYR  72           HA       TYR  72  84.435  19.821   2.224
  533   1HB   TYR  72          2HB       TYR  72  84.464  21.134  -0.519
  534   2HB   TYR  72          3HB       TYR  72  83.608  21.704   0.906
  535    HD1  TYR  72           HD2      TYR  72  85.106  22.040   3.059
  536    HD2  TYR  72           HD1      TYR  72  86.590  21.998  -0.970
  537    HE1  TYR  72           HE2      TYR  72  87.133  23.260   3.794
  538    HE2  TYR  72           HE1      TYR  72  88.617  23.226  -0.237
  539    HH   TYR  72           HH       TYR  72  89.083  24.099   3.197
  540    H    ASN  73           HN       ASN  73  84.206  17.226   1.036
  541    HA   ASN  73           HA       ASN  73  82.551  15.770   0.217
  542   1HB   ASN  73          2HB       ASN  73  80.791  18.151   0.920
  543   2HB   ASN  73          3HB       ASN  73  80.188  16.542   0.522
  544   1HD2  ASN  73          HD22      ASN  73  82.037  15.267   3.568
  545   2HD2  ASN  73          HD21      ASN  73  82.261  15.034   1.900
  546    H    LEU  74           HN       LEU  74  84.015  17.189  -1.693
  547    HA   LEU  74           HA       LEU  74  81.910  17.908  -3.689
  548   1HB   LEU  74          2HB       LEU  74  84.795  18.808  -3.508
  549   2HB   LEU  74          3HB       LEU  74  83.688  19.233  -4.814
  550    HG   LEU  74           HG       LEU  74  83.233  19.846  -1.880
  551   1HD1  LEU  74          HD11      LEU  74  85.054  21.194  -2.887
  552   2HD1  LEU  74          HD13      LEU  74  83.968  21.668  -4.192
  553   3HD1  LEU  74          HD12      LEU  74  83.638  22.186  -2.540
  554   1HD2  LEU  74          HD22      LEU  74  81.619  20.205  -4.388
  555   2HD2  LEU  74          HD21      LEU  74  81.083  19.725  -2.779
  556   3HD2  LEU  74          HD23      LEU  74  81.485  21.411  -3.108
  557    H    TYR  75           HN       TYR  75  82.901  15.169  -3.118
  558    HA   TYR  75           HA       TYR  75  84.776  14.318  -5.075
  559   1HB   TYR  75          2HB       TYR  75  82.382  12.814  -3.964
  560   2HB   TYR  75          3HB       TYR  75  83.721  12.083  -4.854
  561    HD1  TYR  75           HD1      TYR  75  86.137  12.959  -3.917
  562    HD2  TYR  75           HD2      TYR  75  82.505  12.612  -1.653
  563    HE1  TYR  75           HE1      TYR  75  87.459  12.822  -1.823
  564    HE2  TYR  75           HE2      TYR  75  83.823  12.472   0.447
  565    HH   TYR  75           HH       TYR  75  86.960  13.396   0.697
  566    H    SER  76           HN       SER  76  84.462  13.499  -7.212
  567    HA   SER  76           HA       SER  76  82.089  14.657  -8.574
  568   1HB   SER  76          2HB       SER  76  84.297  15.184  -9.522
  569   2HB   SER  76          3HB       SER  76  84.643  13.467  -9.705
  570    HG   SER  76           HG       SER  76  83.832  14.009 -11.633
  571    H    SER  77           HN       SER  77  83.823  11.550  -8.316
  572    HA   SER  77           HA       SER  77  81.254  10.214  -8.989
  573   1HB   SER  77          2HB       SER  77  82.643  10.352 -11.052
  574   2HB   SER  77          3HB       SER  77  83.924   9.479 -10.216
  575    HG   SER  77           HG       SER  77  81.266   8.586 -10.666
  576    H    LEU  78           HN       LEU  78  81.064   8.107  -8.141
  577    HA   LEU  78           HA       LEU  78  82.383   7.668  -5.633
  578   1HB   LEU  78          2HB       LEU  78  80.739   5.808  -7.372
  579   2HB   LEU  78          3HB       LEU  78  81.232   5.454  -5.712
  580    HG   LEU  78           HG       LEU  78  79.623   7.872  -6.564
  581   1HD1  LEU  78          HD12      LEU  78  78.826   5.274  -5.230
  582   2HD1  LEU  78          HD11      LEU  78  77.817   6.721  -5.216
  583   3HD1  LEU  78          HD13      LEU  78  78.213   5.939  -6.745
  584   1HD2  LEU  78          HD23      LEU  78  80.940   6.990  -4.054
  585   2HD2  LEU  78          HD22      LEU  78  80.600   8.619  -4.632
  586   3HD2  LEU  78          HD21      LEU  78  79.319   7.663  -3.886
  587    H    LYS  79           HN       LYS  79  82.839   6.240  -8.874
  588    HA   LYS  79           HA       LYS  79  84.786   4.313  -8.022
  589   1HB   LYS  79          2HB       LYS  79  84.323   5.649 -10.703
  590   2HB   LYS  79          3HB       LYS  79  85.501   4.361 -10.449
  591   1HG   LYS  79          2HG       LYS  79  83.685   2.881  -9.623
  592   2HG   LYS  79          3HG       LYS  79  82.513   4.161  -9.947
  593   1HD   LYS  79          2HD       LYS  79  82.921   4.070 -12.303
  594   2HD   LYS  79          3HD       LYS  79  84.359   3.073 -12.085
  595   1HE   LYS  79          2HE       LYS  79  82.952   1.234 -11.220
  596   2HE   LYS  79          3HE       LYS  79  81.513   2.225 -11.458
  597   1HZ   LYS  79           HZ2      LYS  79  82.122   2.371 -13.832
  598   2HZ   LYS  79           HZ1      LYS  79  83.388   1.273 -13.552
  599   3HZ   LYS  79           HZ3      LYS  79  81.780   0.786 -13.329
  600    H    GLU  80           HN       GLU  80  85.036   7.685  -9.142
  601    HA   GLU  80           HA       GLU  80  87.919   7.775  -9.130
  602   1HB   GLU  80          2HB       GLU  80  85.870   9.991  -8.824
  603   2HB   GLU  80          3HB       GLU  80  87.601  10.258  -9.042
  604   1HG   GLU  80          2HG       GLU  80  87.538   9.095 -11.190
  605   2HG   GLU  80          3HG       GLU  80  85.827   8.736 -10.962
  606    H    LEU  81           HN       LEU  81  85.448   8.265  -6.673
  607    HA   LEU  81           HA       LEU  81  87.098   9.459  -4.680
  608   1HB   LEU  81          2HB       LEU  81  84.666   9.334  -4.449
  609   2HB   LEU  81          3HB       LEU  81  84.739   7.576  -4.407
  610    HG   LEU  81           HG       LEU  81  84.548   8.767  -2.142
  611   1HD1  LEU  81          HD12      LEU  81  85.701   6.401  -2.863
  612   2HD1  LEU  81          HD11      LEU  81  87.041   7.179  -2.022
  613   3HD1  LEU  81          HD13      LEU  81  85.507   6.930  -1.194
  614   1HD2  LEU  81          HD22      LEU  81  86.388  10.469  -2.893
  615   2HD2  LEU  81          HD21      LEU  81  86.419   9.877  -1.233
  616   3HD2  LEU  81          HD23      LEU  81  87.521   9.197  -2.431
  617    H    VAL  82           HN       VAL  82  86.399   6.044  -5.429
  618    HA   VAL  82           HA       VAL  82  88.059   4.946  -3.350
  619    HB   VAL  82           HB       VAL  82  87.192   3.776  -6.016
  620   1HG1  VAL  82          HG13      VAL  82  88.659   2.603  -3.649
  621   2HG1  VAL  82          HG12      VAL  82  87.701   1.591  -4.729
  622   3HG1  VAL  82          HG11      VAL  82  89.075   2.496  -5.357
  623   1HG2  VAL  82          HG21      VAL  82  85.644   4.419  -3.840
  624   2HG2  VAL  82          HG23      VAL  82  85.269   3.121  -4.974
  625   3HG2  VAL  82          HG22      VAL  82  86.104   2.759  -3.462
  626    H    LEU  83           HN       LEU  83  88.644   5.720  -6.777
  627    HA   LEU  83           HA       LEU  83  91.284   4.706  -7.005
  628   1HB   LEU  83          2HB       LEU  83  89.933   7.022  -8.395
  629   2HB   LEU  83          3HB       LEU  83  91.503   6.373  -8.869
  630    HG   LEU  83           HG       LEU  83  88.965   4.717  -8.695
  631   1HD1  LEU  83          HD11      LEU  83  89.208   6.598 -10.528
  632   2HD1  LEU  83          HD13      LEU  83  90.333   5.458 -11.261
  633   3HD1  LEU  83          HD12      LEU  83  88.656   4.988 -10.989
  634   1HD2  LEU  83          HD23      LEU  83  91.827   4.179  -9.291
  635   2HD2  LEU  83          HD22      LEU  83  90.602   3.114  -8.604
  636   3HD2  LEU  83          HD21      LEU  83  90.654   3.393 -10.345
  637    H    HIS  84           HN       HIS  84  90.192   7.985  -6.026
  638    HA   HIS  84           HA       HIS  84  92.814   9.101  -5.832
  639   1HB   HIS  84          2HB       HIS  84  90.745  10.448  -5.864
  640   2HB   HIS  84          3HB       HIS  84  90.330   9.839  -4.263
  641    HD1  HIS  84           HD1      HIS  84  91.914  10.587  -2.259
  642    HD2  HIS  84           HD2      HIS  84  92.658  12.530  -5.876
  643    HE1  HIS  84           HE1      HIS  84  93.338  12.608  -1.709
  644    H    TYR  85           HN       TYR  85  90.832   7.395  -3.402
  645    HA   TYR  85           HA       TYR  85  92.606   7.851  -1.203
  646   1HB   TYR  85          2HB       TYR  85  90.464   5.814  -1.764
  647   2HB   TYR  85          3HB       TYR  85  91.481   5.660  -0.330
  648    HD1  TYR  85           HD2      TYR  85  89.988   8.597  -2.133
  649    HD2  TYR  85           HD1      TYR  85  90.371   6.436   1.560
  650    HE1  TYR  85           HE2      TYR  85  88.682  10.356  -0.973
  651    HE2  TYR  85           HE1      TYR  85  89.071   8.200   2.727
  652    HH   TYR  85           HH       TYR  85  87.737  10.989   0.928
  653    H    GLN  86           HN       GLN  86  92.838   5.658  -3.903
  654    HA   GLN  86           HA       GLN  86  94.611   3.755  -2.623
  655   1HB   GLN  86          2HB       GLN  86  94.789   4.395  -5.552
  656   2HB   GLN  86          3HB       GLN  86  94.879   2.827  -4.742
  657   1HG   GLN  86          2HG       GLN  86  92.426   3.279  -4.056
  658   2HG   GLN  86          3HG       GLN  86  92.459   4.498  -5.308
  659   1HE2  GLN  86          HE22      GLN  86  92.490   2.169  -7.985
  660   2HE2  GLN  86          HE21      GLN  86  92.740   3.789  -7.547
  661    H    HIS  87           HN       HIS  87  95.062   6.849  -4.241
  662    HA   HIS  87           HA       HIS  87  97.996   6.589  -4.146
  663   1HB   HIS  87          2HB       HIS  87  96.183   8.857  -5.007
  664   2HB   HIS  87          3HB       HIS  87  97.946   8.894  -5.111
  665    HD1  HIS  87           HD1      HIS  87  94.918   7.313  -6.631
  666    HD2  HIS  87           HD2      HIS  87  99.056   7.183  -7.108
  667    HE1  HIS  87           HE1      HIS  87  95.347   6.079  -8.796
  668    H    THR  88           HN       THR  88  95.440   7.810  -2.188
  669    HA   THR  88           HA       THR  88  97.338   9.472  -0.606
  670    HB   THR  88           HB       THR  88  94.319   9.221  -0.369
  671    HG1  THR  88           HG1      THR  88  94.825  10.211  -2.282
  672   1HG2  THR  88          HG23      THR  88  95.525   9.937   1.703
  673   2HG2  THR  88          HG22      THR  88  96.229  11.271   0.789
  674   3HG2  THR  88          HG21      THR  88  94.485  11.200   1.042
  675    H    SER  89           HN       SER  89  98.151   8.705   1.255
  676    HA   SER  89           HA       SER  89  97.360   6.048   2.188
  677   1HB   SER  89          2HB       SER  89  99.281   6.156   3.554
  678   2HB   SER  89          3HB       SER  89  99.730   7.088   2.124
  679    HG   SER  89           HG       SER  89  98.755   8.905   3.474
  680    H    LEU  90           HN       LEU  90  96.207   5.591   4.029
  681    HA   LEU  90           HA       LEU  90  94.537   7.717   5.118
  682   1HB   LEU  90          2HB       LEU  90  94.845   4.779   5.757
  683   2HB   LEU  90          3HB       LEU  90  93.720   5.827   6.620
  684    HG   LEU  90           HG       LEU  90  93.093   6.467   4.054
  685   1HD1  LEU  90          HD13      LEU  90  94.725   4.788   3.206
  686   2HD1  LEU  90          HD12      LEU  90  93.800   3.527   4.018
  687   3HD1  LEU  90          HD11      LEU  90  93.071   4.448   2.706
  688   1HD2  LEU  90          HD23      LEU  90  92.060   4.514   6.040
  689   2HD2  LEU  90          HD22      LEU  90  91.242   5.873   5.273
  690   3HD2  LEU  90          HD21      LEU  90  91.440   4.354   4.399
  691    H    VAL  91           HN       VAL  91  97.589   6.385   5.942
  692    HA   VAL  91           HA       VAL  91  97.977   6.401   8.614
  693    HB   VAL  91           HB       VAL  91  99.745   6.529   6.758
  694   1HG1  VAL  91          HG12      VAL  91  98.922   8.817   6.006
  695   2HG1  VAL  91          HG11      VAL  91  99.656   9.470   7.469
  696   3HG1  VAL  91          HG13      VAL  91 100.663   8.685   6.253
  697   1HG2  VAL  91          HG23      VAL  91  99.898   7.652   9.523
  698   2HG2  VAL  91          HG22      VAL  91 100.688   6.228   8.845
  699   3HG2  VAL  91          HG21      VAL  91 101.306   7.839   8.477
  700    H    GLN  92           HN       GLN  92  97.428   9.408   6.765
  701    HA   GLN  92           HA       GLN  92  97.638  11.153   9.027
  702   1HB   GLN  92          2HB       GLN  92  96.638  12.844   7.611
  703   2HB   GLN  92          3HB       GLN  92  97.760  11.891   6.641
  704   1HG   GLN  92          2HG       GLN  92  95.616  10.436   6.144
  705   2HG   GLN  92          3HG       GLN  92  94.763  11.909   6.604
  706   1HE2  GLN  92          HE22      GLN  92  95.324  12.241   2.979
  707   2HE2  GLN  92          HE21      GLN  92  94.361  11.311   4.021
  708    H    HIS  93           HN       HIS  93  95.173   8.912   8.259
  709    HA   HIS  93           HA       HIS  93  92.881  10.363   9.213
  710   1HB   HIS  93          2HB       HIS  93  93.553   7.406   9.168
  711   2HB   HIS  93          3HB       HIS  93  91.994   8.019   9.721
  712    HD1  HIS  93           HD1      HIS  93  93.752   9.768   6.934
  713    HD2  HIS  93           HD2      HIS  93  90.675   6.991   7.377
  714    HE1  HIS  93           HE1      HIS  93  92.637   9.568   4.669
  715    H    ASN  94           HN       ASN  94  95.209   8.220  10.810
  716    HA   ASN  94           HA       ASN  94  94.668   9.620  13.378
  717   1HB   ASN  94          2HB       ASN  94  94.767   6.605  13.002
  718   2HB   ASN  94          3HB       ASN  94  94.759   7.419  14.567
  719   1HD2  ASN  94          HD22      ASN  94  91.364   8.803  13.322
  720   2HD2  ASN  94          HD21      ASN  94  92.890   9.546  13.288
  721    H    ASP  95           HN       ASP  95  96.786   9.406  11.180
  722    HA   ASP  95           HA       ASP  95  99.118   9.467  11.072
  723   1HB   ASP  95          2HB       ASP  95  98.712   9.724  14.065
  724   2HB   ASP  95          3HB       ASP  95 100.299   9.799  13.307
  725    H    SER  96           HN       SER  96  97.489   6.877  11.681
  726    HA   SER  96           HA       SER  96  99.912   5.213  11.993
  727   1HB   SER  96          2HB       SER  96  97.452   4.892  13.738
  728   2HB   SER  96          3HB       SER  96  98.800   3.760  13.676
  729    HG   SER  96           HG       SER  96  99.954   6.008  14.047
  730    H    LEU  97           HN       LEU  97  97.423   5.938  10.147
  731    HA   LEU  97           HA       LEU  97  96.649   3.133   9.542
  732   1HB   LEU  97          2HB       LEU  97  95.563   5.833   8.697
  733   2HB   LEU  97          3HB       LEU  97  95.086   4.352   7.874
  734    HG   LEU  97           HG       LEU  97  93.607   5.188   9.829
  735   1HD1  LEU  97          HD12      LEU  97  94.621   2.435   9.298
  736   2HD1  LEU  97          HD11      LEU  97  93.615   2.677  10.727
  737   3HD1  LEU  97          HD13      LEU  97  92.992   3.082   9.130
  738   1HD2  LEU  97          HD22      LEU  97  95.635   5.548  11.315
  739   2HD2  LEU  97          HD21      LEU  97  94.323   4.626  12.046
  740   3HD2  LEU  97          HD23      LEU  97  95.755   3.794  11.439
  741    H    ASN  98           HN       ASN  98  99.063   2.994   8.910
  742    HA   ASN  98           HA       ASN  98  99.847   4.357   6.461
  743   1HB   ASN  98          2HB       ASN  98 101.422   3.623   8.290
  744   2HB   ASN  98          3HB       ASN  98 101.170   1.961   7.750
  745   1HD2  ASN  98          HD22      ASN  98 104.128   3.584   5.947
  746   2HD2  ASN  98          HD21      ASN  98 103.721   3.523   7.594
  747    H    VAL  99           HN       VAL  99  98.013   3.649   5.132
  748    HA   VAL  99           HA       VAL  99  98.728   1.326   3.532
  749    HB   VAL  99           HB       VAL  99  97.520   0.160   5.308
  750   1HG1  VAL  99          HG12      VAL  99  95.434   2.271   4.754
  751   2HG1  VAL  99          HG11      VAL  99  95.021   0.746   5.538
  752   3HG1  VAL  99          HG13      VAL  99  96.173   1.845   6.297
  753   1HG2  VAL  99          HG22      VAL  99  97.103  -0.207   2.705
  754   2HG2  VAL  99          HG21      VAL  99  96.172  -1.103   3.906
  755   3HG2  VAL  99          HG23      VAL  99  95.474   0.317   3.128
  756    H    THR 100           HN       THR 100  97.438   1.222   1.576
  757    HA   THR 100           HA       THR 100  95.705   3.620   1.156
  758    HB   THR 100           HB       THR 100  96.650   3.996  -1.019
  759    HG1  THR 100           HG1      THR 100  97.903   2.578  -1.994
  760   1HG2  THR 100          HG23      THR 100  98.200   4.161   1.376
  761   2HG2  THR 100          HG22      THR 100  99.284   3.744   0.048
  762   3HG2  THR 100          HG21      THR 100  98.280   5.190  -0.053
  763    H    LEU 101           HN       LEU 101  94.049   3.285  -0.460
  764    HA   LEU 101           HA       LEU 101  93.130   0.506  -0.531
  765   1HB   LEU 101          2HB       LEU 101  92.010   2.917  -1.988
  766   2HB   LEU 101          3HB       LEU 101  91.167   1.418  -1.615
  767    HG   LEU 101           HG       LEU 101  92.125   3.529   0.320
  768   1HD1  LEU 101          HD11      LEU 101  89.860   3.652  -0.916
  769   2HD1  LEU 101          HD13      LEU 101  89.390   2.275   0.079
  770   3HD1  LEU 101          HD12      LEU 101  89.830   3.804   0.840
  771   1HD2  LEU 101          HD23      LEU 101  91.296   0.660   0.772
  772   2HD2  LEU 101          HD22      LEU 101  92.704   1.508   1.413
  773   3HD2  LEU 101          HD21      LEU 101  91.093   1.879   2.031
  774    H    ALA 102           HN       ALA 102  95.300  -0.008  -1.719
  775    HA   ALA 102           HA       ALA 102  95.208   0.655  -4.605
  776   1HB   ALA 102           HB3      ALA 102  97.335   0.782  -3.185
  777   2HB   ALA 102           HB2      ALA 102  97.321  -0.984  -3.211
  778   3HB   ALA 102           HB1      ALA 102  97.460  -0.082  -4.719
  779    H    TYR 103           HN       TYR 103  94.736  -2.130  -2.486
  780    HA   TYR 103           HA       TYR 103  94.442  -3.784  -4.954
  781   1HB   TYR 103          2HB       TYR 103  95.170  -4.609  -2.140
  782   2HB   TYR 103          3HB       TYR 103  94.912  -5.731  -3.478
  783    HD1  TYR 103           HD1      TYR 103  96.460  -5.819  -5.369
  784    HD2  TYR 103           HD2      TYR 103  97.123  -3.156  -2.064
  785    HE1  TYR 103           HE1      TYR 103  98.792  -5.456  -6.125
  786    HE2  TYR 103           HE2      TYR 103  99.454  -2.795  -2.823
  787    HH   TYR 103           HH       TYR 103 101.068  -4.693  -4.733
  788    HA   PRO 104           HA       PRO 104  90.139  -4.132  -3.708
  789   1HB   PRO 104          2HB       PRO 104  89.412  -5.922  -5.632
  790   2HB   PRO 104          3HB       PRO 104  89.594  -4.187  -5.941
  791   1HG   PRO 104          2HG       PRO 104  91.394  -6.429  -6.629
  792   2HG   PRO 104          3HG       PRO 104  91.095  -4.907  -7.486
  793   1HD   PRO 104          2HD       PRO 104  93.331  -5.414  -5.918
  794   2HD   PRO 104          3HD       PRO 104  92.730  -3.796  -6.332
  795    H    VAL 105           HN       VAL 105  88.828  -5.772  -2.691
  796    HA   VAL 105           HA       VAL 105  90.372  -7.932  -1.492
  797    HB   VAL 105           HB       VAL 105  88.689  -6.784  -0.180
  798   1HG1  VAL 105          HG11      VAL 105  86.961  -7.545  -2.491
  799   2HG1  VAL 105          HG13      VAL 105  86.224  -7.488  -0.893
  800   3HG1  VAL 105          HG12      VAL 105  86.990  -6.051  -1.561
  801   1HG2  VAL 105          HG23      VAL 105  89.130  -9.303   0.079
  802   2HG2  VAL 105          HG22      VAL 105  87.641  -8.677   0.789
  803   3HG2  VAL 105          HG21      VAL 105  87.590  -9.535  -0.751
  804    H    TYR 106           HN       TYR 106  88.040  -7.636  -4.089
  805    HA   TYR 106           HA       TYR 106  88.237 -10.582  -4.528
  806   1HB   TYR 106          2HB       TYR 106  86.054  -8.599  -5.157
  807   2HB   TYR 106          3HB       TYR 106  86.134 -10.170  -5.963
  808    HD1  TYR 106           HD1      TYR 106  86.353 -12.269  -4.432
  809    HD2  TYR 106           HD2      TYR 106  85.064  -8.413  -3.043
  810    HE1  TYR 106           HE1      TYR 106  85.358 -13.323  -2.420
  811    HE2  TYR 106           HE2      TYR 106  84.075  -9.470  -1.031
  812    HH   TYR 106           HH       TYR 106  84.219 -12.997  -0.560
  813    H    ALA 107           HN       ALA 107  90.376  -9.298  -5.373
  814    HA   ALA 107           HA       ALA 107  90.284  -8.065  -7.941
  815   1HB   ALA 107           HB1      ALA 107  92.245  -8.419  -6.152
  816   2HB   ALA 107           HB3      ALA 107  92.620  -9.777  -7.213
  817   3HB   ALA 107           HB2      ALA 107  92.590  -8.136  -7.858
  818    H    GLN 108           HN       GLN 108  90.214  -8.934  -9.988
  819    HA   GLN 108           HA       GLN 108  89.530 -11.768 -10.210
  820   1HB   GLN 108          2HB       GLN 108  89.935  -9.640 -12.333
  821   2HB   GLN 108          3HB       GLN 108  89.259 -11.247 -12.613
  822   1HG   GLN 108          2HG       GLN 108  88.090  -9.277 -10.629
  823   2HG   GLN 108          3HG       GLN 108  87.524  -9.418 -12.292
  824   1HE2  GLN 108          HE22      GLN 108  86.216 -12.807 -11.694
  825   2HE2  GLN 108          HE21      GLN 108  87.122 -11.978 -12.866
  826    H    GLN 109           HN       GLN 109  92.433 -10.105  -9.979
  827    HA   GLN 109           HA       GLN 109  93.978 -11.536 -11.985
  828   1HB   GLN 109          2HB       GLN 109  94.920 -10.166  -9.443
  829   2HB   GLN 109          3HB       GLN 109  95.955 -10.702 -10.766
  830   1HG   GLN 109          2HG       GLN 109  94.871  -9.157 -12.303
  831   2HG   GLN 109          3HG       GLN 109  93.716  -8.685 -11.054
  832   1HE2  GLN 109          HE22      GLN 109  96.400  -6.119 -10.950
  833   2HE2  GLN 109          HE21      GLN 109  95.191  -6.584 -12.049
  834    H    ARG 110           HN       ARG 110  95.184 -13.416 -11.724
  835    HA   ARG 110           HA       ARG 110  95.710 -15.514 -10.842
  836   1HB   ARG 110          2HB       ARG 110  95.498 -13.959  -8.244
  837   2HB   ARG 110          3HB       ARG 110  96.121 -15.605  -8.373
  838   1HG   ARG 110          2HG       ARG 110  97.252 -13.236  -9.889
  839   2HG   ARG 110          3HG       ARG 110  97.935 -13.867  -8.388
  840   1HD   ARG 110          2HD       ARG 110  97.692 -16.143  -9.911
  841   2HD   ARG 110          3HD       ARG 110  98.104 -14.944 -11.130
  842    HE   ARG 110           HE       ARG 110  99.987 -16.125  -9.462
  843   1HH1  ARG 110          HH21      ARG 110  98.810 -12.915  -9.967
  844   2HH1  ARG 110          HH22      ARG 110 100.275 -12.162  -9.448
  845   1HH2  ARG 110          HH11      ARG 110 101.900 -15.152  -8.797
  846   2HH2  ARG 110          HH12      ARG 110 102.023 -13.424  -8.785
  847    H    ARG 111           HN       ARG 111  93.126 -15.306 -11.631
  848    HA   ARG 111           HA       ARG 111  91.452 -16.326  -9.398
  849   1HB   ARG 111          2HB       ARG 111  90.458 -14.561 -10.783
  850   2HB   ARG 111          3HB       ARG 111  90.718 -15.531 -12.233
  851   1HG   ARG 111          2HG       ARG 111  89.262 -17.294 -11.299
  852   2HG   ARG 111          3HG       ARG 111  88.964 -16.287  -9.879
  853   1HD   ARG 111          2HD       ARG 111  88.415 -14.539 -11.902
  854   2HD   ARG 111          3HD       ARG 111  87.878 -16.055 -12.616
  855    HE   ARG 111           HE       ARG 111  86.385 -14.609 -10.752
  856   1HH1  ARG 111          HH21      ARG 111  87.803 -17.761 -10.896
  857   2HH1  ARG 111          HH22      ARG 111  86.674 -18.453  -9.785
  858   1HH2  ARG 111          HH11      ARG 111  84.879 -15.517  -9.358
  859   2HH2  ARG 111          HH12      ARG 111  84.978 -17.202  -8.969
   
  No H/Q in entry =         859
  Start of MODEL   15
    1   1H    GLU   1           HT1      GLU   1  94.935  -1.157 -20.940
    2   2H    GLU   1           HT3      GLU   1  96.621  -1.274 -21.077
    3   3H    GLU   1           HT2      GLU   1  95.645  -2.601 -21.486
    4    HA   GLU   1           HA       GLU   1  95.858  -3.365 -19.433
    5   1HB   GLU   1          2HB       GLU   1  97.100  -0.658 -18.828
    6   2HB   GLU   1          3HB       GLU   1  97.152  -2.060 -17.756
    7   1HG   GLU   1          2HG       GLU   1  98.237  -2.021 -20.588
    8   2HG   GLU   1          3HG       GLU   1  99.222  -1.823 -19.137
    9    H    ASP   2           HN       ASP   2  93.648  -3.514 -18.982
   10    HA   ASP   2           HA       ASP   2  92.052  -1.237 -18.215
   11   1HB   ASP   2          2HB       ASP   2  91.579  -4.210 -17.883
   12   2HB   ASP   2          3HB       ASP   2  90.369  -2.963 -17.559
   13    H    LEU   3           HN       LEU   3  91.398  -0.574 -16.187
   14    HA   LEU   3           HA       LEU   3  93.086  -1.517 -13.933
   15   1HB   LEU   3          2HB       LEU   3  91.318   0.927 -14.263
   16   2HB   LEU   3          3HB       LEU   3  92.248   0.568 -12.813
   17    HG   LEU   3           HG       LEU   3  93.497   0.833 -15.558
   18   1HD1  LEU   3          HD11      LEU   3  92.622   2.865 -13.597
   19   2HD1  LEU   3          HD13      LEU   3  94.287   3.041 -14.151
   20   3HD1  LEU   3          HD12      LEU   3  92.969   3.038 -15.320
   21   1HD2  LEU   3          HD23      LEU   3  94.549   0.689 -12.721
   22   2HD2  LEU   3          HD22      LEU   3  94.932  -0.382 -14.067
   23   3HD2  LEU   3          HD21      LEU   3  95.534   1.273 -14.060
   24    HA   PRO   4           HA       PRO   4  89.611  -3.809 -12.369
   25   1HB   PRO   4          2HB       PRO   4  90.401  -3.950  -9.723
   26   2HB   PRO   4          3HB       PRO   4  90.999  -5.011 -11.013
   27   1HG   PRO   4          2HG       PRO   4  92.274  -2.642  -9.767
   28   2HG   PRO   4          3HG       PRO   4  93.004  -4.138 -10.372
   29   1HD   PRO   4          2HD       PRO   4  93.095  -1.776 -11.753
   30   2HD   PRO   4          3HD       PRO   4  93.122  -3.367 -12.547
   31    H    HIS   5           HN       HIS   5  90.252  -0.594 -11.600
   32    HA   HIS   5           HA       HIS   5  88.230  -0.303  -9.511
   33   1HB   HIS   5          2HB       HIS   5  89.632   1.794 -11.199
   34   2HB   HIS   5          3HB       HIS   5  88.627   2.123  -9.785
   35    HD1  HIS   5           HD1      HIS   5  89.483   0.541  -7.584
   36    HD2  HIS   5           HD2      HIS   5  92.289   1.625 -10.467
   37    HE1  HIS   5           HE1      HIS   5  91.758   0.224  -6.524
   38    H    HIS   6           HN       HIS   6  88.189  -0.496 -12.947
   39    HA   HIS   6           HA       HIS   6  85.951   1.183 -13.525
   40   1HB   HIS   6          2HB       HIS   6  86.906  -1.381 -14.829
   41   2HB   HIS   6          3HB       HIS   6  85.612  -0.376 -15.484
   42    HD1  HIS   6           HD1      HIS   6  86.710   0.723 -17.462
   43    HD2  HIS   6           HD2      HIS   6  89.052   0.972 -14.027
   44    HE1  HIS   6           HE1      HIS   6  88.663   2.228 -18.035
   45    H    ASP   7           HN       ASP   7  86.091  -2.293 -12.705
   46    HA   ASP   7           HA       ASP   7  83.156  -2.256 -12.295
   47   1HB   ASP   7          2HB       ASP   7  85.163  -4.521 -12.461
   48   2HB   ASP   7          3HB       ASP   7  83.459  -4.749 -12.065
   49    H    GLU   8           HN       GLU   8  82.350  -2.219 -10.226
   50    HA   GLU   8           HA       GLU   8  84.186  -1.956  -8.014
   51   1HB   GLU   8          2HB       GLU   8  82.261  -1.573  -6.656
   52   2HB   GLU   8          3HB       GLU   8  81.947  -0.804  -8.204
   53   1HG   GLU   8          2HG       GLU   8  81.032  -3.623  -7.625
   54   2HG   GLU   8          3HG       GLU   8  80.054  -2.215  -7.222
   55    H    LYS   9           HN       LYS   9  83.178  -4.611  -9.639
   56    HA   LYS   9           HA       LYS   9  82.527  -6.507  -7.628
   57   1HB   LYS   9          2HB       LYS   9  83.102  -8.160  -9.271
   58   2HB   LYS   9          3HB       LYS   9  82.521  -6.768 -10.201
   59   1HG   LYS   9          2HG       LYS   9  84.985  -5.983 -10.194
   60   2HG   LYS   9          3HG       LYS   9  85.370  -7.631  -9.713
   61   1HD   LYS   9          2HD       LYS   9  84.300  -8.501 -11.733
   62   2HD   LYS   9          3HD       LYS   9  83.841  -6.864 -12.213
   63   1HE   LYS   9          2HE       LYS   9  86.363  -6.306 -12.002
   64   2HE   LYS   9          3HE       LYS   9  86.608  -8.053 -12.026
   65   1HZ   LYS   9           HZ1      LYS   9  84.924  -7.711 -14.081
   66   2HZ   LYS   9           HZ3      LYS   9  85.814  -6.269 -14.162
   67   3HZ   LYS   9           HZ2      LYS   9  86.617  -7.767 -14.235
   68    H    THR  10           HN       THR  10  85.629  -5.286  -8.793
   69    HA   THR  10           HA       THR  10  87.274  -7.189  -7.433
   70    HB   THR  10           HB       THR  10  89.091  -5.586  -7.884
   71    HG1  THR  10           HG1      THR  10  87.720  -3.805  -9.283
   72   1HG2  THR  10          HG21      THR  10  87.524  -6.958  -9.696
   73   2HG2  THR  10          HG23      THR  10  87.576  -5.333 -10.380
   74   3HG2  THR  10          HG22      THR  10  89.079  -6.202 -10.058
   75    H    TRP  11           HN       TRP  11  85.763  -4.200  -6.296
   76    HA   TRP  11           HA       TRP  11  87.043  -4.779  -3.655
   77   1HB   TRP  11          2HB       TRP  11  86.563  -2.120  -3.448
   78   2HB   TRP  11          3HB       TRP  11  88.100  -2.797  -3.986
   79    HD1  TRP  11           HD1      TRP  11  88.491  -2.941  -6.651
   80    HE1  TRP  11           HE1      TRP  11  87.572  -1.521  -8.572
   81    HE3  TRP  11           HE3      TRP  11  84.629  -0.673  -4.238
   82    HZ2  TRP  11           HZ2      TRP  11  85.475   0.402  -9.006
   83    HZ3  TRP  11           HZ3      TRP  11  83.189   0.957  -5.423
   84    HH2  TRP  11           HH2      TRP  11  83.607   1.494  -7.804
   85    H    ASN  12           HN       ASN  12  84.064  -4.240  -5.326
   86    HA   ASN  12           HA       ASN  12  82.701  -3.678  -2.732
   87   1HB   ASN  12          2HB       ASN  12  82.155  -2.182  -4.595
   88   2HB   ASN  12          3HB       ASN  12  81.597  -3.558  -5.542
   89   1HD2  ASN  12          HD22      ASN  12  78.411  -2.677  -4.191
   90   2HD2  ASN  12          HD21      ASN  12  79.399  -2.584  -5.569
   91    H    VAL  13           HN       VAL  13  81.904  -5.334  -1.652
   92    HA   VAL  13           HA       VAL  13  80.615  -7.570  -3.138
   93    HB   VAL  13           HB       VAL  13  82.947  -8.180  -2.326
   94   1HG1  VAL  13          HG11      VAL  13  82.170  -6.868  -0.049
   95   2HG1  VAL  13          HG13      VAL  13  81.898  -8.550   0.408
   96   3HG1  VAL  13          HG12      VAL  13  83.499  -8.025  -0.120
   97   1HG2  VAL  13          HG21      VAL  13  80.391  -9.567  -1.625
   98   2HG2  VAL  13          HG23      VAL  13  81.661 -10.069  -2.744
   99   3HG2  VAL  13          HG22      VAL  13  81.893 -10.252  -1.002
  100    H    GLY  14           HN       GLY  14  79.492  -5.285  -1.916
  101   1HA   GLY  14          2HA       GLY  14  78.606  -5.143   0.615
  102   2HA   GLY  14          3HA       GLY  14  77.457  -5.006  -0.705
  103    H    SER  15           HN       SER  15  77.930  -7.915  -1.450
  104    HA   SER  15           HA       SER  15  75.775  -9.017   0.056
  105   1HB   SER  15          2HB       SER  15  76.347 -11.152  -0.980
  106   2HB   SER  15          3HB       SER  15  76.475  -9.865  -2.173
  107    HG   SER  15           HG       SER  15  78.675 -10.736  -0.620
  108    H    SER  16           HN       SER  16  78.896  -8.394   1.101
  109    HA   SER  16           HA       SER  16  79.024 -10.747   2.893
  110   1HB   SER  16          2HB       SER  16  80.925  -8.442   2.412
  111   2HB   SER  16          3HB       SER  16  81.199  -9.697   3.621
  112    HG   SER  16           HG       SER  16  82.100  -9.974   1.385
  113    H    ASN  17           HN       ASN  17  79.418 -10.401   5.212
  114    HA   ASN  17           HA       ASN  17  77.907  -8.040   6.248
  115   1HB   ASN  17          2HB       ASN  17  78.194 -10.849   7.364
  116   2HB   ASN  17          3HB       ASN  17  77.416  -9.518   8.225
  117   1HD2  ASN  17          HD22      ASN  17  74.824 -11.447   6.264
  118   2HD2  ASN  17          HD21      ASN  17  75.980 -11.904   7.427
  119    H    ARG  18           HN       ARG  18  78.674  -7.346   8.487
  120    HA   ARG  18           HA       ARG  18  81.452  -6.742   8.456
  121   1HB   ARG  18          2HB       ARG  18  79.558  -6.831  10.827
  122   2HB   ARG  18          3HB       ARG  18  81.137  -6.061  10.832
  123   1HG   ARG  18          2HG       ARG  18  78.583  -5.120   9.667
  124   2HG   ARG  18          3HG       ARG  18  79.941  -4.195  10.293
  125   1HD   ARG  18          2HD       ARG  18  79.850  -5.564   7.585
  126   2HD   ARG  18          3HD       ARG  18  79.665  -3.836   7.874
  127    HE   ARG  18           HE       ARG  18  82.078  -4.418   9.074
  128   1HH1  ARG  18          HH21      ARG  18  80.642  -4.903   5.979
  129   2HH1  ARG  18          HH22      ARG  18  82.150  -4.877   5.133
  130   1HH2  ARG  18          HH11      ARG  18  84.046  -4.384   7.993
  131   2HH2  ARG  18          HH12      ARG  18  84.082  -4.583   6.271
  132    H    ASN  19           HN       ASN  19  79.724  -9.356  10.191
  133    HA   ASN  19           HA       ASN  19  82.013 -10.329  11.604
  134   1HB   ASN  19          2HB       ASN  19  79.594 -11.003  11.982
  135   2HB   ASN  19          3HB       ASN  19  79.726 -12.010  10.542
  136   1HD2  ASN  19          HD22      ASN  19  81.193 -13.376  14.032
  137   2HD2  ASN  19          HD21      ASN  19  80.269 -11.956  13.924
  138    H    LYS  20           HN       LYS  20  80.664 -11.156   8.422
  139    HA   LYS  20           HA       LYS  20  82.626 -13.151   7.780
  140   1HB   LYS  20          2HB       LYS  20  80.450 -12.854   6.572
  141   2HB   LYS  20          3HB       LYS  20  81.093 -11.369   5.868
  142   1HG   LYS  20          2HG       LYS  20  82.950 -12.630   4.869
  143   2HG   LYS  20          3HG       LYS  20  82.329 -14.120   5.581
  144   1HD   LYS  20          2HD       LYS  20  80.186 -13.744   4.322
  145   2HD   LYS  20          3HD       LYS  20  80.964 -12.387   3.509
  146   1HE   LYS  20          2HE       LYS  20  82.727 -13.902   2.673
  147   2HE   LYS  20          3HE       LYS  20  81.934 -15.261   3.473
  148   1HZ   LYS  20           HZ1      LYS  20  80.276 -13.637   1.724
  149   2HZ   LYS  20           HZ3      LYS  20  81.459 -14.580   0.959
  150   3HZ   LYS  20           HZ2      LYS  20  80.295 -15.322   1.952
  151    H    ALA  21           HN       ALA  21  82.561  -9.651   7.569
  152    HA   ALA  21           HA       ALA  21  84.726  -9.292   5.755
  153   1HB   ALA  21           HB1      ALA  21  83.139  -7.501   6.599
  154   2HB   ALA  21           HB3      ALA  21  84.073  -7.488   8.096
  155   3HB   ALA  21           HB2      ALA  21  84.839  -7.039   6.573
  156    H    GLU  22           HN       GLU  22  84.669  -9.737   9.287
  157    HA   GLU  22           HA       GLU  22  87.462  -9.325   9.721
  158   1HB   GLU  22          2HB       GLU  22  85.421 -11.035  11.167
  159   2HB   GLU  22          3HB       GLU  22  87.075 -10.830  11.740
  160   1HG   GLU  22          2HG       GLU  22  85.145  -8.547  11.207
  161   2HG   GLU  22          3HG       GLU  22  85.490  -9.214  12.806
  162    H    ASN  23           HN       ASN  23  85.593 -12.235   8.881
  163    HA   ASN  23           HA       ASN  23  87.810 -14.041   8.825
  164   1HB   ASN  23          2HB       ASN  23  85.120 -14.074   7.435
  165   2HB   ASN  23          3HB       ASN  23  86.280 -15.391   7.294
  166   1HD2  ASN  23          HD22      ASN  23  84.047 -16.240  10.148
  167   2HD2  ASN  23          HD21      ASN  23  83.859 -16.039   8.473
  168    H    LEU  24           HN       LEU  24  86.250 -12.016   6.326
  169    HA   LEU  24           HA       LEU  24  88.049 -12.843   4.201
  170   1HB   LEU  24          2HB       LEU  24  86.247 -10.427   4.525
  171   2HB   LEU  24          3HB       LEU  24  87.219 -10.708   3.084
  172    HG   LEU  24           HG       LEU  24  85.177 -12.665   4.184
  173   1HD1  LEU  24          HD11      LEU  24  85.038 -10.759   1.825
  174   2HD1  LEU  24          HD13      LEU  24  83.826 -11.978   2.221
  175   3HD1  LEU  24          HD12      LEU  24  84.103 -10.623   3.316
  176   1HD2  LEU  24          HD23      LEU  24  87.256 -12.751   2.106
  177   2HD2  LEU  24          HD22      LEU  24  86.381 -14.079   2.870
  178   3HD2  LEU  24          HD21      LEU  24  85.659 -13.211   1.514
  179    H    LEU  25           HN       LEU  25  88.015 -10.249   6.596
  180    HA   LEU  25           HA       LEU  25  90.373  -8.903   5.510
  181   1HB   LEU  25          2HB       LEU  25  88.954  -8.742   8.188
  182   2HB   LEU  25          3HB       LEU  25  90.373  -7.780   7.797
  183    HG   LEU  25           HG       LEU  25  87.940  -7.751   6.015
  184   1HD1  LEU  25          HD11      LEU  25  88.286  -6.628   8.721
  185   2HD1  LEU  25          HD13      LEU  25  87.794  -5.446   7.511
  186   3HD1  LEU  25          HD12      LEU  25  86.809  -6.881   7.790
  187   1HD2  LEU  25          HD23      LEU  25  90.444  -6.714   5.700
  188   2HD2  LEU  25          HD22      LEU  25  88.998  -5.988   4.998
  189   3HD2  LEU  25          HD21      LEU  25  89.645  -5.370   6.520
  190    H    ARG  26           HN       ARG  26  89.763 -11.703   7.283
  191    HA   ARG  26           HA       ARG  26  92.239 -11.712   8.813
  192   1HB   ARG  26          2HB       ARG  26  90.949 -13.182   9.953
  193   2HB   ARG  26          3HB       ARG  26  89.805 -13.295   8.618
  194   1HG   ARG  26          2HG       ARG  26  91.153 -14.972   7.525
  195   2HG   ARG  26          3HG       ARG  26  92.444 -14.783   8.713
  196   1HD   ARG  26          2HD       ARG  26  90.787 -15.469  10.496
  197   2HD   ARG  26          3HD       ARG  26  89.648 -15.846   9.204
  198    HE   ARG  26           HE       ARG  26  91.879 -17.299   8.500
  199   1HH1  ARG  26          HH21      ARG  26  90.027 -16.895  11.385
  200   2HH1  ARG  26          HH22      ARG  26  90.267 -18.527  11.926
  201   1HH2  ARG  26          HH11      ARG  26  92.197 -19.438   9.195
  202   2HH2  ARG  26          HH12      ARG  26  91.489 -19.961  10.687
  203    H    GLY  27           HN       GLY  27  94.175 -12.298   8.003
  204   1HA   GLY  27          2HA       GLY  27  95.707 -13.553   6.689
  205   2HA   GLY  27          3HA       GLY  27  94.343 -14.253   5.815
  206    H    LYS  28           HN       LYS  28  94.008 -10.896   6.088
  207    HA   LYS  28           HA       LYS  28  94.857 -10.602   3.257
  208   1HB   LYS  28          2HB       LYS  28  93.062  -8.930   5.028
  209   2HB   LYS  28          3HB       LYS  28  93.587  -8.409   3.424
  210   1HG   LYS  28          2HG       LYS  28  92.250 -11.083   3.862
  211   2HG   LYS  28          3HG       LYS  28  91.319  -9.616   3.572
  212   1HD   LYS  28          2HD       LYS  28  91.638  -9.919   1.364
  213   2HD   LYS  28          3HD       LYS  28  93.357  -9.618   1.620
  214   1HE   LYS  28          2HE       LYS  28  93.156 -11.764   0.536
  215   2HE   LYS  28          3HE       LYS  28  93.608 -12.061   2.213
  216   1HZ   LYS  28           HZ3      LYS  28  90.770 -11.898   1.799
  217   2HZ   LYS  28           HZ2      LYS  28  91.497 -13.173   0.946
  218   3HZ   LYS  28           HZ1      LYS  28  91.676 -13.064   2.631
  219    H    ARG  29           HN       ARG  29  96.668  -9.541   2.793
  220    HA   ARG  29           HA       ARG  29  98.274  -8.337   4.907
  221   1HB   ARG  29          2HB       ARG  29  98.676  -8.482   1.904
  222   2HB   ARG  29          3HB       ARG  29  99.867  -7.844   3.039
  223   1HG   ARG  29          2HG       ARG  29 100.559  -9.915   3.581
  224   2HG   ARG  29          3HG       ARG  29  98.908 -10.435   3.917
  225   1HD   ARG  29          2HD       ARG  29  98.609 -10.613   1.374
  226   2HD   ARG  29          3HD       ARG  29 100.359 -10.442   1.261
  227    HE   ARG  29           HE       ARG  29  99.964 -12.491   3.109
  228   1HH1  ARG  29          HH21      ARG  29  99.012 -11.761  -0.121
  229   2HH1  ARG  29          HH22      ARG  29  98.957 -13.419  -0.621
  230   1HH2  ARG  29          HH11      ARG  29  99.896 -14.659   2.480
  231   2HH2  ARG  29          HH12      ARG  29  99.458 -15.062   0.853
  232    H    ASP  30           HN       ASP  30  99.088  -6.109   4.744
  233    HA   ASP  30           HA       ASP  30  97.065  -4.158   4.648
  234   1HB   ASP  30          2HB       ASP  30  99.303  -3.892   5.726
  235   2HB   ASP  30          3HB       ASP  30 100.022  -3.738   4.128
  236    H    GLY  31           HN       GLY  31  96.290  -2.780   3.073
  237   1HA   GLY  31          2HA       GLY  31  96.571  -1.643   0.894
  238   2HA   GLY  31          3HA       GLY  31  97.419  -3.076   0.322
  239    H    THR  32           HN       THR  32  95.447  -4.875   1.655
  240    HA   THR  32           HA       THR  32  93.502  -4.895  -0.531
  241    HB   THR  32           HB       THR  32  93.766  -6.711   1.870
  242    HG1  THR  32           HG1      THR  32  95.582  -6.934   0.671
  243   1HG2  THR  32          HG23      THR  32  91.843  -6.506  -0.305
  244   2HG2  THR  32          HG22      THR  32  92.647  -8.080  -0.294
  245   3HG2  THR  32          HG21      THR  32  91.790  -7.517   1.141
  246    H    PHE  33           HN       PHE  33  91.554  -3.798  -0.388
  247    HA   PHE  33           HA       PHE  33  90.357  -3.631   2.321
  248   1HB   PHE  33          2HB       PHE  33  90.075  -1.373   2.288
  249   2HB   PHE  33          3HB       PHE  33  91.561  -1.483   1.351
  250    HD1  PHE  33           HD1      PHE  33  91.054  -1.961  -1.305
  251    HD2  PHE  33           HD2      PHE  33  88.447  -0.005   1.482
  252    HE1  PHE  33           HE1      PHE  33  89.922  -0.764  -3.168
  253    HE2  PHE  33           HE2      PHE  33  87.318   1.161  -0.400
  254    HZ   PHE  33           HZ       PHE  33  88.058   0.775  -2.706
  255    H    LEU  34           HN       LEU  34  88.076  -3.320   2.373
  256    HA   LEU  34           HA       LEU  34  86.685  -4.460  -0.012
  257   1HB   LEU  34          2HB       LEU  34  85.930  -4.467   2.926
  258   2HB   LEU  34          3HB       LEU  34  84.954  -5.161   1.643
  259    HG   LEU  34           HG       LEU  34  86.357  -6.808   2.956
  260   1HD1  LEU  34          HD11      LEU  34  85.456  -7.335   0.745
  261   2HD1  LEU  34          HD13      LEU  34  86.864  -6.596  -0.015
  262   3HD1  LEU  34          HD12      LEU  34  87.054  -8.056   0.953
  263   1HD2  LEU  34          HD21      LEU  34  88.393  -5.161   2.887
  264   2HD2  LEU  34          HD23      LEU  34  88.676  -6.894   2.756
  265   3HD2  LEU  34          HD22      LEU  34  88.693  -5.894   1.311
  266    H    VAL  35           HN       VAL  35  84.477  -3.733  -0.395
  267    HA   VAL  35           HA       VAL  35  83.789  -1.066   0.737
  268    HB   VAL  35           HB       VAL  35  83.804  -1.871  -2.187
  269   1HG1  VAL  35          HG13      VAL  35  82.184   0.197  -0.720
  270   2HG1  VAL  35          HG12      VAL  35  82.721   0.516  -2.373
  271   3HG1  VAL  35          HG11      VAL  35  81.694  -0.879  -2.030
  272   1HG2  VAL  35          HG21      VAL  35  85.542  -0.358  -0.528
  273   2HG2  VAL  35          HG23      VAL  35  85.601  -0.503  -2.285
  274   3HG2  VAL  35          HG22      VAL  35  84.687   0.809  -1.542
  275    H    ARG  36           HN       ARG  36  81.898  -1.474   1.851
  276    HA   ARG  36           HA       ARG  36  79.837  -3.141   0.468
  277   1HB   ARG  36          2HB       ARG  36  80.763  -3.399   3.341
  278   2HB   ARG  36          3HB       ARG  36  79.312  -4.172   2.698
  279   1HG   ARG  36          2HG       ARG  36  80.515  -5.646   1.390
  280   2HG   ARG  36          3HG       ARG  36  81.870  -4.542   1.214
  281   1HD   ARG  36          2HD       ARG  36  82.551  -4.962   3.521
  282   2HD   ARG  36          3HD       ARG  36  81.154  -6.014   3.765
  283    HE   ARG  36           HE       ARG  36  82.450  -7.127   1.586
  284   1HH1  ARG  36          HH21      ARG  36  83.339  -6.156   4.774
  285   2HH1  ARG  36          HH22      ARG  36  84.555  -7.376   4.946
  286   1HH2  ARG  36          HH11      ARG  36  84.026  -8.724   1.798
  287   2HH2  ARG  36          HH12      ARG  36  84.943  -8.831   3.263
  288    H    GLU  37           HN       GLU  37  77.661  -2.911   1.745
  289    HA   GLU  37           HA       GLU  37  77.242  -0.032   2.095
  290   1HB   GLU  37          2HB       GLU  37  74.836  -0.776   2.396
  291   2HB   GLU  37          3HB       GLU  37  75.544  -1.235   0.848
  292   1HG   GLU  37          2HG       GLU  37  75.837  -3.481   1.518
  293   2HG   GLU  37          3HG       GLU  37  75.668  -3.083   3.229
  294    H    SER  38           HN       SER  38  75.762   0.534   4.062
  295    HA   SER  38           HA       SER  38  77.114  -0.460   6.471
  296   1HB   SER  38          2HB       SER  38  74.795   1.463   6.080
  297   2HB   SER  38          3HB       SER  38  75.559   1.122   7.633
  298    HG   SER  38           HG       SER  38  77.210   2.309   7.065
  299    H    SER  39           HN       SER  39  75.370  -1.955   4.530
  300    HA   SER  39           HA       SER  39  73.980  -3.772   4.577
  301   1HB   SER  39          2HB       SER  39  73.688  -4.974   6.622
  302   2HB   SER  39          3HB       SER  39  75.279  -4.227   6.747
  303    HG   SER  39           HG       SER  39  73.579  -4.026   8.540
  304    H    LYS  40           HN       LYS  40  72.317  -3.153   7.504
  305    HA   LYS  40           HA       LYS  40  69.834  -2.663   6.207
  306   1HB   LYS  40          2HB       LYS  40  70.093  -3.506   8.560
  307   2HB   LYS  40          3HB       LYS  40  70.563  -1.879   9.044
  308   1HG   LYS  40          2HG       LYS  40  68.397  -1.012   8.188
  309   2HG   LYS  40          3HG       LYS  40  67.916  -2.665   7.790
  310   1HD   LYS  40          2HD       LYS  40  68.075  -3.319  10.141
  311   2HD   LYS  40          3HD       LYS  40  68.671  -1.712  10.569
  312   1HE   LYS  40          2HE       LYS  40  65.991  -2.154   9.236
  313   2HE   LYS  40          3HE       LYS  40  66.188  -2.097  10.987
  314   1HZ   LYS  40           HZ1      LYS  40  67.553   0.078   9.928
  315   2HZ   LYS  40           HZ3      LYS  40  66.041   0.038   9.164
  316   3HZ   LYS  40           HZ2      LYS  40  66.135   0.093  10.860
  317    H    GLN  41           HN       GLN  41  72.189  -0.371   7.605
  318    HA   GLN  41           HA       GLN  41  70.483   1.926   7.018
  319   1HB   GLN  41          2HB       GLN  41  73.425   1.791   7.769
  320   2HB   GLN  41          3HB       GLN  41  72.462   3.266   7.691
  321   1HG   GLN  41          2HG       GLN  41  70.896   2.254   9.380
  322   2HG   GLN  41          3HG       GLN  41  72.026   0.909   9.545
  323   1HE2  GLN  41          HE22      GLN  41  74.605   3.299  10.837
  324   2HE2  GLN  41          HE21      GLN  41  74.510   2.258   9.501
  325    H    GLY  42           HN       GLY  42  70.883   3.495   5.352
  326   1HA   GLY  42          2HA       GLY  42  71.848   2.333   2.860
  327   2HA   GLY  42          3HA       GLY  42  71.224   3.969   3.063
  328    H    CYS  43           HN       CYS  43  73.563   3.456   5.389
  329    HA   CYS  43           HA       CYS  43  75.429   5.195   3.970
  330   1HB   CYS  43          2HB       CYS  43  75.552   3.878   6.695
  331   2HB   CYS  43          3HB       CYS  43  76.788   4.977   6.078
  332    HG   CYS  43           HG       CYS  43  74.803   6.793   5.868
  333    H    TYR  44           HN       TYR  44  77.669   4.652   3.594
  334    HA   TYR  44           HA       TYR  44  78.081   1.731   3.090
  335   1HB   TYR  44          2HB       TYR  44  79.020   4.153   1.531
  336   2HB   TYR  44          3HB       TYR  44  79.522   2.497   1.184
  337    HD1  TYR  44           HD2      TYR  44  76.654   4.841   1.254
  338    HD2  TYR  44           HD1      TYR  44  78.033   0.933   0.140
  339    HE1  TYR  44           HE2      TYR  44  74.580   4.488  -0.067
  340    HE2  TYR  44           HE1      TYR  44  75.960   0.575  -1.172
  341    HH   TYR  44           HH       TYR  44  73.859   3.072  -2.004
  342    H    ALA  45           HN       ALA  45  80.206   0.906   3.475
  343    HA   ALA  45           HA       ALA  45  82.199   2.762   4.640
  344   1HB   ALA  45           HB2      ALA  45  81.132   0.325   6.107
  345   2HB   ALA  45           HB1      ALA  45  82.515   1.294   6.620
  346   3HB   ALA  45           HB3      ALA  45  80.901   2.006   6.589
  347    H    CYS  46           HN       CYS  46  84.292   2.072   4.123
  348    HA   CYS  46           HA       CYS  46  84.445  -0.520   2.667
  349   1HB   CYS  46          2HB       CYS  46  86.418   1.780   2.524
  350   2HB   CYS  46          3HB       CYS  46  86.333   0.382   1.447
  351    HG   CYS  46           HG       CYS  46  83.879   1.336   0.755
  352    H    SER  47           HN       SER  47  85.669  -2.111   3.489
  353    HA   SER  47           HA       SER  47  87.016  -1.595   6.065
  354   1HB   SER  47          2HB       SER  47  86.739  -3.823   6.512
  355   2HB   SER  47          3HB       SER  47  85.491  -3.665   5.282
  356    HG   SER  47           HG       SER  47  86.622  -5.164   4.323
  357    H    VAL  48           HN       VAL  48  89.224  -1.511   6.320
  358    HA   VAL  48           HA       VAL  48  90.885  -2.448   4.030
  359    HB   VAL  48           HB       VAL  48  90.793  -0.059   3.805
  360   1HG1  VAL  48          HG12      VAL  48  90.099   0.221   6.269
  361   2HG1  VAL  48          HG11      VAL  48  91.827   0.223   6.618
  362   3HG1  VAL  48          HG13      VAL  48  91.138   1.466   5.576
  363   1HG2  VAL  48          HG23      VAL  48  93.012  -1.254   3.588
  364   2HG2  VAL  48          HG22      VAL  48  93.134   0.470   3.956
  365   3HG2  VAL  48          HG21      VAL  48  93.371  -0.723   5.234
  366    H    VAL  49           HN       VAL  49  93.074  -2.967   4.591
  367    HA   VAL  49           HA       VAL  49  93.417  -3.599   7.498
  368    HB   VAL  49           HB       VAL  49  94.513  -5.121   5.117
  369   1HG1  VAL  49          HG12      VAL  49  95.227  -5.049   7.922
  370   2HG1  VAL  49          HG11      VAL  49  94.616  -6.645   7.494
  371   3HG1  VAL  49          HG13      VAL  49  95.982  -5.960   6.614
  372   1HG2  VAL  49          HG23      VAL  49  91.933  -5.161   6.141
  373   2HG2  VAL  49          HG22      VAL  49  92.687  -6.461   5.211
  374   3HG2  VAL  49          HG21      VAL  49  92.717  -6.505   6.974
  375    H    VAL  50           HN       VAL  50  95.504  -3.193   8.393
  376    HA   VAL  50           HA       VAL  50  97.320  -1.656   6.582
  377    HB   VAL  50           HB       VAL  50  96.535  -1.172   9.450
  378   1HG1  VAL  50          HG13      VAL  50  99.052  -0.314   8.005
  379   2HG1  VAL  50          HG12      VAL  50  98.423   0.556   9.407
  380   3HG1  VAL  50          HG11      VAL  50  98.923  -1.126   9.566
  381   1HG2  VAL  50          HG21      VAL  50  95.442  -0.087   7.350
  382   2HG2  VAL  50          HG23      VAL  50  95.946   0.984   8.660
  383   3HG2  VAL  50          HG22      VAL  50  96.949   0.821   7.217
  384    H    ASP  51           HN       ASP  51  99.610  -1.719   7.223
  385    HA   ASP  51           HA       ASP  51 100.583  -4.350   7.545
  386   1HB   ASP  51          2HB       ASP  51 102.774  -3.356   7.714
  387   2HB   ASP  51          3HB       ASP  51 101.838  -2.356   6.600
  388    H    GLY  52           HN       GLY  52  98.936  -2.770   9.844
  389   1HA   GLY  52          2HA       GLY  52 100.299  -4.309  11.967
  390   2HA   GLY  52          3HA       GLY  52 100.194  -2.572  12.215
  391    H    GLU  53           HN       GLU  53  97.382  -2.780  10.780
  392    HA   GLU  53           HA       GLU  53  95.869  -4.250  12.841
  393   1HB   GLU  53          2HB       GLU  53  96.319  -2.202  14.044
  394   2HB   GLU  53          3HB       GLU  53  95.833  -1.228  12.656
  395   1HG   GLU  53          2HG       GLU  53  93.554  -1.888  12.864
  396   2HG   GLU  53          3HG       GLU  53  93.952  -3.165  14.014
  397    H    VAL  54           HN       VAL  54  93.436  -3.940  12.498
  398    HA   VAL  54           HA       VAL  54  92.869  -3.487   9.593
  399    HB   VAL  54           HB       VAL  54  91.546  -5.439  11.501
  400   1HG1  VAL  54          HG13      VAL  54  90.946  -4.603   8.659
  401   2HG1  VAL  54          HG12      VAL  54  90.423  -6.166   9.298
  402   3HG1  VAL  54          HG11      VAL  54  89.842  -4.670  10.034
  403   1HG2  VAL  54          HG22      VAL  54  93.419  -5.754   9.142
  404   2HG2  VAL  54          HG21      VAL  54  93.661  -6.317  10.795
  405   3HG2  VAL  54          HG23      VAL  54  92.448  -7.087   9.772
  406    H    LYS  55           HN       LYS  55  91.371  -1.871   9.197
  407    HA   LYS  55           HA       LYS  55  89.635  -1.066  11.516
  408   1HB   LYS  55          2HB       LYS  55  90.340   0.895   9.364
  409   2HB   LYS  55          3HB       LYS  55  89.946   1.189  11.058
  410   1HG   LYS  55          2HG       LYS  55  92.239   1.550  11.046
  411   2HG   LYS  55          3HG       LYS  55  92.149  -0.151  11.504
  412   1HD   LYS  55          2HD       LYS  55  92.094  -0.332   8.771
  413   2HD   LYS  55          3HD       LYS  55  93.132   1.078   9.002
  414   1HE   LYS  55          2HE       LYS  55  94.756  -0.131  10.123
  415   2HE   LYS  55          3HE       LYS  55  93.621  -1.368  10.656
  416   1HZ   LYS  55           HZ1      LYS  55  93.593  -1.371   7.882
  417   2HZ   LYS  55           HZ3      LYS  55  95.218  -1.355   8.356
  418   3HZ   LYS  55           HZ2      LYS  55  94.187  -2.577   8.921
  419    H    HIS  56           HN       HIS  56  87.800   0.438  10.554
  420    HA   HIS  56           HA       HIS  56  86.662  -0.861   8.119
  421   1HB   HIS  56          2HB       HIS  56  85.349  -0.250  10.773
  422   2HB   HIS  56          3HB       HIS  56  84.399  -0.423   9.298
  423    HD1  HIS  56           HD1      HIS  56  85.577  -2.373  12.037
  424    HD2  HIS  56           HD2      HIS  56  85.185  -3.068   7.952
  425    HE1  HIS  56           HE1      HIS  56  85.537  -4.891  11.740
  426    H    CYS  57           HN       CYS  57  87.543   1.067   7.001
  427    HA   CYS  57           HA       CYS  57  86.966   3.738   7.736
  428   1HB   CYS  57          2HB       CYS  57  87.222   2.553   4.955
  429   2HB   CYS  57          3HB       CYS  57  87.271   4.275   5.327
  430    HG   CYS  57           HG       CYS  57  89.473   3.870   6.691
  431    H    VAL  58           HN       VAL  58  85.168   4.970   7.597
  432    HA   VAL  58           HA       VAL  58  82.705   3.614   6.637
  433    HB   VAL  58           HB       VAL  58  82.932   4.456   9.017
  434   1HG1  VAL  58          HG12      VAL  58  84.086   6.612   8.138
  435   2HG1  VAL  58          HG11      VAL  58  82.445   7.184   7.843
  436   3HG1  VAL  58          HG13      VAL  58  82.948   6.759   9.476
  437   1HG2  VAL  58          HG22      VAL  58  80.746   5.276   7.121
  438   2HG2  VAL  58          HG21      VAL  58  80.725   4.031   8.371
  439   3HG2  VAL  58          HG23      VAL  58  80.647   5.734   8.823
  440    H    ILE  59           HN       ILE  59  81.578   4.428   4.928
  441    HA   ILE  59           HA       ILE  59  82.586   6.951   3.701
  442    HB   ILE  59           HB       ILE  59  80.876   4.769   2.462
  443   1HG1  ILE  59          HG12      ILE  59  83.038   3.807   2.905
  444   2HG1  ILE  59          HG11      ILE  59  83.020   4.251   1.199
  445   1HG2  ILE  59          HG22      ILE  59  80.750   7.118   1.506
  446   2HG2  ILE  59          HG21      ILE  59  82.462   6.956   1.106
  447   3HG2  ILE  59          HG23      ILE  59  81.277   5.872   0.377
  448   1HD1  ILE  59          HD13      ILE  59  84.114   6.443   1.876
  449   2HD1  ILE  59          HD12      ILE  59  84.349   5.738   3.477
  450   3HD1  ILE  59          HD11      ILE  59  85.116   5.005   2.069
  451    H    ASN  60           HN       ASN  60  81.296   8.714   3.968
  452    HA   ASN  60           HA       ASN  60  78.464   8.225   4.777
  453   1HB   ASN  60          2HB       ASN  60  80.288  10.600   5.236
  454   2HB   ASN  60          3HB       ASN  60  78.586  10.553   5.703
  455   1HD2  ASN  60          HD22      ASN  60  79.739   7.487   7.785
  456   2HD2  ASN  60          HD21      ASN  60  79.016   7.505   6.249
  457    H    LYS  61           HN       LYS  61  76.926   8.675   3.327
  458    HA   LYS  61           HA       LYS  61  77.562  10.534   1.079
  459   1HB   LYS  61          2HB       LYS  61  75.487   8.333   1.311
  460   2HB   LYS  61          3HB       LYS  61  75.654   9.409  -0.078
  461   1HG   LYS  61          2HG       LYS  61  77.985   8.618  -0.390
  462   2HG   LYS  61          3HG       LYS  61  77.774   7.509   0.968
  463   1HD   LYS  61          2HD       LYS  61  77.395   6.267  -1.074
  464   2HD   LYS  61          3HD       LYS  61  75.841   6.473  -0.261
  465   1HE   LYS  61          2HE       LYS  61  75.099   8.074  -1.800
  466   2HE   LYS  61          3HE       LYS  61  76.738   8.483  -2.310
  467   1HZ   LYS  61           HZ1      LYS  61  75.951   5.731  -2.742
  468   2HZ   LYS  61           HZ3      LYS  61  75.113   6.872  -3.675
  469   3HZ   LYS  61           HZ2      LYS  61  76.808   6.791  -3.756
  470    H    THR  62           HN       THR  62  76.462  12.462   1.043
  471    HA   THR  62           HA       THR  62  73.914  12.626   2.595
  472    HB   THR  62           HB       THR  62  76.057  13.717   3.645
  473    HG1  THR  62           HG1      THR  62  73.707  15.248   3.272
  474   1HG2  THR  62          HG22      THR  62  76.356  14.880   1.290
  475   2HG2  THR  62          HG21      THR  62  75.288  16.080   2.013
  476   3HG2  THR  62          HG23      THR  62  76.828  15.690   2.781
  477    H    ALA  63           HN       ALA  63  72.991  15.056   1.920
  478    HA   ALA  63           HA       ALA  63  71.957  14.873  -0.636
  479   1HB   ALA  63           HB3      ALA  63  72.513  17.135   1.202
  480   2HB   ALA  63           HB2      ALA  63  72.286  17.576  -0.488
  481   3HB   ALA  63           HB1      ALA  63  71.019  16.702   0.372
  482    H    THR  64           HN       THR  64  75.158  15.756   0.341
  483    HA   THR  64           HA       THR  64  76.164  15.473  -2.393
  484    HB   THR  64           HB       THR  64  76.495  18.136  -0.967
  485    HG1  THR  64           HG1      THR  64  74.406  17.632  -2.002
  486   1HG2  THR  64          HG23      THR  64  78.064  16.837  -2.936
  487   2HG2  THR  64          HG22      THR  64  77.175  18.116  -3.763
  488   3HG2  THR  64          HG21      THR  64  78.200  18.507  -2.380
  489    H    GLY  65           HN       GLY  65  77.029  13.725  -0.866
  490   1HA   GLY  65          2HA       GLY  65  79.690  14.538   0.062
  491   2HA   GLY  65          3HA       GLY  65  78.601  14.042   1.356
  492    H    TYR  66           HN       TYR  66  80.656  12.488   1.296
  493    HA   TYR  66           HA       TYR  66  79.676   9.883   0.515
  494   1HB   TYR  66          2HB       TYR  66  82.125  10.946  -0.939
  495   2HB   TYR  66          3HB       TYR  66  81.470   9.317  -1.071
  496    HD1  TYR  66           HD1      TYR  66  79.250   8.933  -2.158
  497    HD2  TYR  66           HD2      TYR  66  81.120  12.803  -2.097
  498    HE1  TYR  66           HE1      TYR  66  77.708   9.714  -3.942
  499    HE2  TYR  66           HE2      TYR  66  79.582  13.576  -3.879
  500    HH   TYR  66           HH       TYR  66  77.379  13.005  -4.768
  501    H    GLY  67           HN       GLY  67  81.548  12.009   2.255
  502   1HA   GLY  67          2HA       GLY  67  82.404  10.281   4.257
  503   2HA   GLY  67          3HA       GLY  67  83.723  10.276   3.086
  504    H    PHE  68           HN       PHE  68  85.300  11.623   3.896
  505    HA   PHE  68           HA       PHE  68  84.431  14.125   5.240
  506   1HB   PHE  68          2HB       PHE  68  86.837  14.344   5.878
  507   2HB   PHE  68          3HB       PHE  68  86.094  12.860   6.468
  508    HD1  PHE  68           HD2      PHE  68  86.651  10.695   5.498
  509    HD2  PHE  68           HD1      PHE  68  88.517  14.300   4.093
  510    HE1  PHE  68           HE2      PHE  68  88.385   9.350   4.364
  511    HE2  PHE  68           HE1      PHE  68  90.263  12.951   2.954
  512    HZ   PHE  68           HZ       PHE  68  90.210  10.471   3.098
  513    H    ALA  69           HN       ALA  69  84.092  15.767   3.870
  514    HA   ALA  69           HA       ALA  69  85.981  16.105   1.572
  515   1HB   ALA  69           HB2      ALA  69  83.064  16.884   1.875
  516   2HB   ALA  69           HB1      ALA  69  84.084  17.396   0.531
  517   3HB   ALA  69           HB3      ALA  69  83.737  15.683   0.771
  518    H    GLU  70           HN       GLU  70  87.198  17.894   1.649
  519    HA   GLU  70           HA       GLU  70  86.307  20.175   3.372
  520   1HB   GLU  70          2HB       GLU  70  89.065  18.966   3.026
  521   2HB   GLU  70          3HB       GLU  70  88.793  20.535   3.781
  522   1HG   GLU  70          2HG       GLU  70  87.304  19.466   5.445
  523   2HG   GLU  70          3HG       GLU  70  87.608  17.901   4.697
  524    HA   PRO  71           HA       PRO  71  86.595  23.021   0.026
  525   1HB   PRO  71          2HB       PRO  71  89.054  24.156   1.276
  526   2HB   PRO  71          3HB       PRO  71  87.575  24.979   0.749
  527   1HG   PRO  71          2HG       PRO  71  88.215  24.298   3.365
  528   2HG   PRO  71          3HG       PRO  71  86.619  24.764   2.772
  529   1HD   PRO  71          2HD       PRO  71  87.406  22.203   3.777
  530   2HD   PRO  71          3HD       PRO  71  85.842  22.641   3.059
  531    H    TYR  72           HN       TYR  72  89.523  21.402   1.155
  532    HA   TYR  72           HA       TYR  72  90.693  21.532  -1.569
  533   1HB   TYR  72          2HB       TYR  72  92.225  21.942   0.321
  534   2HB   TYR  72          3HB       TYR  72  91.808  20.372   1.008
  535    HD1  TYR  72           HD1      TYR  72  93.007  21.877  -2.218
  536    HD2  TYR  72           HD2      TYR  72  93.139  18.521   0.469
  537    HE1  TYR  72           HE1      TYR  72  94.701  20.787  -3.659
  538    HE2  TYR  72           HE2      TYR  72  94.840  17.436  -0.974
  539    HH   TYR  72           HH       TYR  72  96.155  19.095  -3.829
  540    H    ASN  73           HN       ASN  73  89.264  19.327   0.752
  541    HA   ASN  73           HA       ASN  73  89.594  17.051  -1.139
  542   1HB   ASN  73          2HB       ASN  73  88.723  17.159   1.767
  543   2HB   ASN  73          3HB       ASN  73  88.826  15.678   0.812
  544   1HD2  ASN  73          HD22      ASN  73  92.546  16.661   0.439
  545   2HD2  ASN  73          HD21      ASN  73  91.261  16.871  -0.652
  546    H    LEU  74           HN       LEU  74  87.861  16.418  -2.347
  547    HA   LEU  74           HA       LEU  74  85.101  16.867  -1.388
  548   1HB   LEU  74          2HB       LEU  74  86.152  18.036  -3.983
  549   2HB   LEU  74          3HB       LEU  74  84.448  17.937  -3.551
  550    HG   LEU  74           HG       LEU  74  86.516  19.385  -1.879
  551   1HD1  LEU  74          HD11      LEU  74  85.009  20.167  -4.294
  552   2HD1  LEU  74          HD13      LEU  74  84.874  21.298  -2.948
  553   3HD1  LEU  74          HD12      LEU  74  86.461  20.880  -3.594
  554   1HD2  LEU  74          HD22      LEU  74  83.751  18.613  -1.502
  555   2HD2  LEU  74          HD21      LEU  74  84.833  19.432  -0.373
  556   3HD2  LEU  74          HD23      LEU  74  83.888  20.373  -1.528
  557    H    TYR  75           HN       TYR  75  84.753  14.588  -1.478
  558    HA   TYR  75           HA       TYR  75  85.582  12.928  -3.663
  559   1HB   TYR  75          2HB       TYR  75  83.267  12.622  -1.731
  560   2HB   TYR  75          3HB       TYR  75  83.838  11.349  -2.816
  561    HD1  TYR  75           HD1      TYR  75  86.450  10.902  -2.716
  562    HD2  TYR  75           HD2      TYR  75  84.149  12.717   0.425
  563    HE1  TYR  75           HE1      TYR  75  88.197  10.274  -1.070
  564    HE2  TYR  75           HE2      TYR  75  85.899  12.096   2.069
  565    HH   TYR  75           HH       TYR  75  88.512  11.612   1.875
  566    H    SER  76           HN       SER  76  84.771  12.808  -5.713
  567    HA   SER  76           HA       SER  76  82.373  14.406  -6.358
  568   1HB   SER  76          2HB       SER  76  83.013  14.107  -8.660
  569   2HB   SER  76          3HB       SER  76  84.483  14.447  -7.755
  570    HG   SER  76           HG       SER  76  83.721  11.784  -7.952
  571    H    SER  77           HN       SER  77  83.479  11.036  -6.885
  572    HA   SER  77           HA       SER  77  80.656  10.151  -6.608
  573   1HB   SER  77          2HB       SER  77  82.490   9.409  -8.907
  574   2HB   SER  77          3HB       SER  77  80.931   8.658  -8.585
  575    HG   SER  77           HG       SER  77  80.279  11.072  -8.574
  576    H    LEU  78           HN       LEU  78  80.625   7.654  -6.397
  577    HA   LEU  78           HA       LEU  78  82.458   6.875  -4.335
  578   1HB   LEU  78          2HB       LEU  78  80.585   5.237  -6.064
  579   2HB   LEU  78          3HB       LEU  78  81.516   4.562  -4.725
  580    HG   LEU  78           HG       LEU  78  79.625   6.917  -4.446
  581   1HD1  LEU  78          HD11      LEU  78  79.221   3.986  -3.776
  582   2HD1  LEU  78          HD13      LEU  78  78.130   5.290  -3.304
  583   3HD1  LEU  78          HD12      LEU  78  78.355   4.903  -5.011
  584   1HD2  LEU  78          HD23      LEU  78  81.565   5.547  -2.709
  585   2HD2  LEU  78          HD22      LEU  78  80.830   7.140  -2.535
  586   3HD2  LEU  78          HD21      LEU  78  79.963   5.706  -1.987
  587    H    LYS  79           HN       LYS  79  82.416   6.265  -7.839
  588    HA   LYS  79           HA       LYS  79  84.529   4.356  -7.930
  589   1HB   LYS  79          2HB       LYS  79  83.721   6.526  -9.892
  590   2HB   LYS  79          3HB       LYS  79  84.912   5.274 -10.259
  591   1HG   LYS  79          2HG       LYS  79  83.227   3.532  -9.835
  592   2HG   LYS  79          3HG       LYS  79  82.041   4.770  -9.429
  593   1HD   LYS  79          2HD       LYS  79  82.130   5.671 -11.690
  594   2HD   LYS  79          3HD       LYS  79  83.431   4.554 -12.117
  595   1HE   LYS  79          2HE       LYS  79  81.869   2.652 -11.571
  596   2HE   LYS  79          3HE       LYS  79  80.576   3.836 -11.393
  597   1HZ   LYS  79           HZ2      LYS  79  82.180   3.934 -13.836
  598   2HZ   LYS  79           HZ1      LYS  79  81.073   2.650 -13.678
  599   3HZ   LYS  79           HZ3      LYS  79  80.526   4.256 -13.609
  600    H    GLU  80           HN       GLU  80  84.556   7.889  -7.850
  601    HA   GLU  80           HA       GLU  80  87.408   8.195  -8.121
  602   1HB   GLU  80          2HB       GLU  80  85.668   9.996  -8.472
  603   2HB   GLU  80          3HB       GLU  80  85.477  10.065  -6.722
  604   1HG   GLU  80          2HG       GLU  80  87.909  10.555  -6.503
  605   2HG   GLU  80          3HG       GLU  80  88.037  10.571  -8.264
  606    H    LEU  81           HN       LEU  81  85.244   7.672  -5.392
  607    HA   LEU  81           HA       LEU  81  86.924   8.361  -3.240
  608   1HB   LEU  81          2HB       LEU  81  84.575   7.632  -2.971
  609   2HB   LEU  81          3HB       LEU  81  85.036   5.999  -3.442
  610    HG   LEU  81           HG       LEU  81  86.747   6.161  -1.485
  611   1HD1  LEU  81          HD11      LEU  81  85.875   8.735  -1.350
  612   2HD1  LEU  81          HD13      LEU  81  84.825   7.974  -0.155
  613   3HD1  LEU  81          HD12      LEU  81  86.576   7.867   0.012
  614   1HD2  LEU  81          HD23      LEU  81  84.229   5.082  -1.685
  615   2HD2  LEU  81          HD22      LEU  81  85.281   4.889  -0.286
  616   3HD2  LEU  81          HD21      LEU  81  84.043   6.144  -0.292
  617    H    VAL  82           HN       VAL  82  86.683   5.230  -4.941
  618    HA   VAL  82           HA       VAL  82  88.778   3.986  -3.424
  619    HB   VAL  82           HB       VAL  82  87.919   3.358  -6.260
  620   1HG1  VAL  82          HG11      VAL  82  89.734   2.138  -4.297
  621   2HG1  VAL  82          HG13      VAL  82  88.543   1.011  -4.954
  622   3HG1  VAL  82          HG12      VAL  82  89.624   1.884  -6.039
  623   1HG2  VAL  82          HG23      VAL  82  86.761   2.614  -3.573
  624   2HG2  VAL  82          HG22      VAL  82  85.931   3.327  -4.953
  625   3HG2  VAL  82          HG21      VAL  82  86.464   1.647  -5.017
  626    H    LEU  83           HN       LEU  83  88.728   5.692  -6.535
  627    HA   LEU  83           HA       LEU  83  91.516   5.330  -7.115
  628   1HB   LEU  83          2HB       LEU  83  89.571   7.493  -7.976
  629   2HB   LEU  83          3HB       LEU  83  91.166   7.240  -8.685
  630    HG   LEU  83           HG       LEU  83  89.011   5.111  -8.583
  631   1HD1  LEU  83          HD13      LEU  83  88.418   7.131  -9.988
  632   2HD1  LEU  83          HD12      LEU  83  89.855   6.794 -10.955
  633   3HD1  LEU  83          HD11      LEU  83  88.543   5.623 -10.892
  634   1HD2  LEU  83          HD22      LEU  83  91.796   5.319  -9.656
  635   2HD2  LEU  83          HD21      LEU  83  90.977   3.942  -8.916
  636   3HD2  LEU  83          HD23      LEU  83  90.622   4.387 -10.587
  637    H    HIS  84           HN       HIS  84  89.727   7.973  -5.533
  638    HA   HIS  84           HA       HIS  84  91.914   9.748  -5.191
  639   1HB   HIS  84          2HB       HIS  84  89.503  10.304  -4.818
  640   2HB   HIS  84          3HB       HIS  84  89.562   9.377  -3.317
  641    HD1  HIS  84           HD1      HIS  84  91.142  12.420  -4.943
  642    HD2  HIS  84           HD2      HIS  84  90.675  10.740  -1.158
  643    HE1  HIS  84           HE1      HIS  84  91.991  14.136  -3.290
  644    H    TYR  85           HN       TYR  85  90.717   7.184  -3.005
  645    HA   TYR  85           HA       TYR  85  92.745   7.749  -1.008
  646   1HB   TYR  85          2HB       TYR  85  90.458   5.980  -1.299
  647   2HB   TYR  85          3HB       TYR  85  91.830   5.134  -0.598
  648    HD1  TYR  85           HD2      TYR  85  93.204   7.131   1.009
  649    HD2  TYR  85           HD1      TYR  85  88.984   6.554   0.413
  650    HE1  TYR  85           HE2      TYR  85  92.747   8.210   3.190
  651    HE2  TYR  85           HE1      TYR  85  88.533   7.625   2.601
  652    HH   TYR  85           HH       TYR  85  90.990   8.220   4.888
  653    H    GLN  86           HN       GLN  86  92.637   5.851  -3.880
  654    HA   GLN  86           HA       GLN  86  94.726   3.984  -3.196
  655   1HB   GLN  86          2HB       GLN  86  93.662   3.276  -5.120
  656   2HB   GLN  86          3HB       GLN  86  93.337   4.919  -5.668
  657   1HG   GLN  86          2HG       GLN  86  94.984   3.752  -7.124
  658   2HG   GLN  86          3HG       GLN  86  95.673   5.184  -6.365
  659   1HE2  GLN  86          HE22      GLN  86  97.907   2.126  -5.937
  660   2HE2  GLN  86          HE21      GLN  86  97.118   2.759  -7.303
  661    H    HIS  87           HN       HIS  87  94.634   7.176  -4.715
  662    HA   HIS  87           HA       HIS  87  97.499   7.312  -5.150
  663   1HB   HIS  87          2HB       HIS  87  95.825   8.610  -6.474
  664   2HB   HIS  87          3HB       HIS  87  95.483   9.571  -5.035
  665    HD1  HIS  87           HD1      HIS  87  96.424  11.554  -6.686
  666    HD2  HIS  87           HD2      HIS  87  99.230   8.822  -5.251
  667    HE1  HIS  87           HE1      HIS  87  98.701  12.619  -7.023
  668    H    THR  88           HN       THR  88  95.285   8.521  -2.635
  669    HA   THR  88           HA       THR  88  97.628   9.612  -1.165
  670    HB   THR  88           HB       THR  88  94.690   9.814  -0.462
  671    HG1  THR  88           HG1      THR  88  95.482  12.101  -1.251
  672   1HG2  THR  88          HG21      THR  88  97.146  11.333   0.455
  673   2HG2  THR  88          HG23      THR  88  95.489  11.703   0.928
  674   3HG2  THR  88          HG22      THR  88  96.223  10.179   1.419
  675    H    SER  89           HN       SER  89  98.317   8.824   0.752
  676    HA   SER  89           HA       SER  89  97.482   6.102   1.459
  677   1HB   SER  89          2HB       SER  89  99.431   6.094   2.843
  678   2HB   SER  89          3HB       SER  89  99.872   6.979   1.382
  679    HG   SER  89           HG       SER  89  99.084   8.877   2.710
  680    H    LEU  90           HN       LEU  90  96.451   5.520   3.390
  681    HA   LEU  90           HA       LEU  90  94.805   7.552   4.674
  682   1HB   LEU  90          2HB       LEU  90  95.303   4.611   5.198
  683   2HB   LEU  90          3HB       LEU  90  94.252   5.578   6.233
  684    HG   LEU  90           HG       LEU  90  92.985   6.240   4.124
  685   1HD1  LEU  90          HD13      LEU  90  94.827   4.120   3.031
  686   2HD1  LEU  90          HD12      LEU  90  93.288   4.499   2.260
  687   3HD1  LEU  90          HD11      LEU  90  94.534   5.738   2.398
  688   1HD2  LEU  90          HD22      LEU  90  93.110   3.447   5.228
  689   2HD2  LEU  90          HD21      LEU  90  91.837   4.654   5.409
  690   3HD2  LEU  90          HD23      LEU  90  92.030   3.798   3.878
  691    H    VAL  91           HN       VAL  91  97.980   6.302   5.229
  692    HA   VAL  91           HA       VAL  91  98.508   6.301   7.898
  693    HB   VAL  91           HB       VAL  91 100.194   6.426   5.928
  694   1HG1  VAL  91          HG13      VAL  91  99.408   8.737   5.261
  695   2HG1  VAL  91          HG12      VAL  91 100.159   9.344   6.737
  696   3HG1  VAL  91          HG11      VAL  91 101.152   8.594   5.486
  697   1HG2  VAL  91          HG22      VAL  91 100.742   7.846   8.553
  698   2HG2  VAL  91          HG21      VAL  91 100.836   6.104   8.287
  699   3HG2  VAL  91          HG23      VAL  91 101.975   7.185   7.480
  700    H    GLN  92           HN       GLN  92  97.896   9.290   6.049
  701    HA   GLN  92           HA       GLN  92  98.316  11.191   8.040
  702   1HB   GLN  92          2HB       GLN  92  97.564  11.652   5.678
  703   2HB   GLN  92          3HB       GLN  92  95.930  11.193   6.166
  704   1HG   GLN  92          2HG       GLN  92  96.222  13.641   6.279
  705   2HG   GLN  92          3HG       GLN  92  95.948  12.965   7.890
  706   1HE2  GLN  92          HE22      GLN  92  99.912  13.678   7.158
  707   2HE2  GLN  92          HE21      GLN  92  99.006  12.745   6.068
  708    H    HIS  93           HN       HIS  93  95.360   9.250   7.545
  709    HA   HIS  93           HA       HIS  93  93.923  10.379   9.745
  710   1HB   HIS  93          2HB       HIS  93  92.911   8.929   7.968
  711   2HB   HIS  93          3HB       HIS  93  93.740   7.544   8.683
  712    HD1  HIS  93           HD1      HIS  93  91.381  10.323   9.823
  713    HD2  HIS  93           HD2      HIS  93  92.251   6.334  10.667
  714    HE1  HIS  93           HE1      HIS  93  89.709   9.582  11.574
  715    H    ASN  94           HN       ASN  94  94.171  10.037  11.926
  716    HA   ASN  94           HA       ASN  94  95.156   9.259  13.907
  717   1HB   ASN  94          2HB       ASN  94  95.052   6.676  12.323
  718   2HB   ASN  94          3HB       ASN  94  95.376   6.775  14.051
  719   1HD2  ASN  94          HD22      ASN  94  91.658   6.288  13.359
  720   2HD2  ASN  94          HD21      ASN  94  93.023   5.479  12.758
  721    H    ASP  95           HN       ASP  95  96.829   9.449  11.057
  722    HA   ASP  95           HA       ASP  95  99.123   9.469  10.533
  723   1HB   ASP  95          2HB       ASP  95  99.287   9.692  13.552
  724   2HB   ASP  95          3HB       ASP  95 100.656   9.914  12.463
  725    H    SER  96           HN       SER  96  97.731   6.814  11.223
  726    HA   SER  96           HA       SER  96 100.263   5.279  11.437
  727   1HB   SER  96          2HB       SER  96  97.856   4.890  13.227
  728   2HB   SER  96          3HB       SER  96  99.123   3.684  13.038
  729    HG   SER  96           HG       SER  96  99.723   4.921  14.754
  730    H    LEU  97           HN       LEU  97  97.770   5.860   9.547
  731    HA   LEU  97           HA       LEU  97  97.145   3.000   9.000
  732   1HB   LEU  97          2HB       LEU  97  95.862   5.599   8.168
  733   2HB   LEU  97          3HB       LEU  97  95.529   4.105   7.295
  734    HG   LEU  97           HG       LEU  97  95.057   3.094   9.643
  735   1HD1  LEU  97          HD11      LEU  97  95.983   5.195  10.771
  736   2HD1  LEU  97          HD13      LEU  97  94.494   5.992  10.276
  737   3HD1  LEU  97          HD12      LEU  97  94.436   4.611  11.369
  738   1HD2  LEU  97          HD21      LEU  97  93.373   3.648   7.821
  739   2HD2  LEU  97          HD23      LEU  97  92.735   3.689   9.466
  740   3HD2  LEU  97          HD22      LEU  97  93.123   5.194   8.632
  741    H    ASN  98           HN       ASN  98  99.443   2.836   8.291
  742    HA   ASN  98           HA       ASN  98 100.208   4.242   5.864
  743   1HB   ASN  98          2HB       ASN  98 101.778   3.443   7.672
  744   2HB   ASN  98          3HB       ASN  98 101.466   1.795   7.128
  745   1HD2  ASN  98          HD22      ASN  98 104.303   2.328   5.051
  746   2HD2  ASN  98          HD21      ASN  98 103.734   1.569   6.459
  747    H    VAL  99           HN       VAL  99  98.207   3.588   4.722
  748    HA   VAL  99           HA       VAL  99  98.679   1.123   3.175
  749    HB   VAL  99           HB       VAL  99  97.327   0.244   4.960
  750   1HG1  VAL  99          HG13      VAL  99  96.546   2.463   5.794
  751   2HG1  VAL  99          HG12      VAL  99  95.417   2.540   4.441
  752   3HG1  VAL  99          HG11      VAL  99  95.239   1.286   5.667
  753   1HG2  VAL  99          HG23      VAL  99  96.648  -0.071   2.423
  754   2HG2  VAL  99          HG22      VAL  99  95.594  -0.677   3.703
  755   3HG2  VAL  99          HG21      VAL  99  95.224   0.852   2.907
  756    H    THR 100           HN       THR 100  97.447   1.100   1.216
  757    HA   THR 100           HA       THR 100  96.095   3.681   0.527
  758    HB   THR 100           HB       THR 100  97.125   3.558  -1.706
  759    HG1  THR 100           HG1      THR 100  97.368   1.297  -1.764
  760   1HG2  THR 100          HG23      THR 100  98.748   3.716   0.771
  761   2HG2  THR 100          HG22      THR 100  99.654   3.543  -0.734
  762   3HG2  THR 100          HG21      THR 100  98.548   4.899  -0.521
  763    H    LEU 101           HN       LEU 101  94.127   3.362  -0.519
  764    HA   LEU 101           HA       LEU 101  93.145   0.627  -0.672
  765   1HB   LEU 101          2HB       LEU 101  91.932   3.162  -1.824
  766   2HB   LEU 101          3HB       LEU 101  91.090   1.638  -1.542
  767    HG   LEU 101           HG       LEU 101  92.337   3.417   0.578
  768   1HD1  LEU 101          HD11      LEU 101  89.954   3.782  -0.650
  769   2HD1  LEU 101          HD13      LEU 101  89.469   2.641   0.604
  770   3HD1  LEU 101          HD12      LEU 101  90.224   4.170   1.047
  771   1HD2  LEU 101          HD21      LEU 101  91.435   0.603   0.585
  772   2HD2  LEU 101          HD23      LEU 101  92.568   1.420   1.653
  773   3HD2  LEU 101          HD22      LEU 101  90.833   1.582   1.916
  774    H    ALA 102           HN       ALA 102  95.085   0.054  -2.043
  775    HA   ALA 102           HA       ALA 102  94.575   0.632  -4.928
  776   1HB   ALA 102           HB2      ALA 102  96.808   1.231  -3.573
  777   2HB   ALA 102           HB1      ALA 102  97.195  -0.433  -4.010
  778   3HB   ALA 102           HB3      ALA 102  96.841   0.749  -5.269
  779    H    TYR 103           HN       TYR 103  94.424  -1.909  -2.630
  780    HA   TYR 103           HA       TYR 103  94.782  -3.882  -4.858
  781   1HB   TYR 103          2HB       TYR 103  95.283  -4.246  -1.890
  782   2HB   TYR 103          3HB       TYR 103  95.366  -5.540  -3.086
  783    HD1  TYR 103           HD1      TYR 103  97.172  -5.609  -4.758
  784    HD2  TYR 103           HD2      TYR 103  96.984  -2.497  -1.798
  785    HE1  TYR 103           HE1      TYR 103  99.519  -4.978  -5.267
  786    HE2  TYR 103           HE2      TYR 103  99.328  -1.870  -2.306
  787    HH   TYR 103           HH       TYR 103 100.916  -2.733  -5.011
  788    HA   PRO 104           HA       PRO 104  90.320  -4.238  -3.874
  789   1HB   PRO 104          2HB       PRO 104  90.474  -6.020  -6.241
  790   2HB   PRO 104          3HB       PRO 104  89.387  -4.667  -5.918
  791   1HG   PRO 104          2HG       PRO 104  91.365  -4.484  -7.700
  792   2HG   PRO 104          3HG       PRO 104  90.872  -3.105  -6.706
  793   1HD   PRO 104          2HD       PRO 104  93.280  -4.865  -6.420
  794   2HD   PRO 104          3HD       PRO 104  93.106  -3.128  -6.090
  795    H    VAL 105           HN       VAL 105  89.274  -6.001  -2.847
  796    HA   VAL 105           HA       VAL 105  90.959  -8.154  -1.916
  797    HB   VAL 105           HB       VAL 105  88.822  -7.121  -0.836
  798   1HG1  VAL 105          HG12      VAL 105  87.415  -7.651  -2.864
  799   2HG1  VAL 105          HG11      VAL 105  87.587  -9.360  -2.470
  800   3HG1  VAL 105          HG13      VAL 105  86.750  -8.280  -1.357
  801   1HG2  VAL 105          HG22      VAL 105  89.990  -9.801  -0.738
  802   2HG2  VAL 105          HG21      VAL 105  89.494  -8.741   0.584
  803   3HG2  VAL 105          HG23      VAL 105  88.309  -9.781  -0.208
  804    H    TYR 106           HN       TYR 106  88.591  -7.814  -4.512
  805    HA   TYR 106           HA       TYR 106  89.088 -10.641  -5.302
  806   1HB   TYR 106          2HB       TYR 106  86.858  -8.738  -6.006
  807   2HB   TYR 106          3HB       TYR 106  87.096 -10.279  -6.825
  808    HD1  TYR 106           HD1      TYR 106  87.490 -12.338  -5.175
  809    HD2  TYR 106           HD2      TYR 106  85.459  -8.695  -4.143
  810    HE1  TYR 106           HE1      TYR 106  86.335 -13.507  -3.321
  811    HE2  TYR 106           HE2      TYR 106  84.307  -9.871  -2.285
  812    HH   TYR 106           HH       TYR 106  85.230 -12.497  -0.924
  813    H    ALA 107           HN       ALA 107  91.172  -8.866  -5.844
  814    HA   ALA 107           HA       ALA 107  90.861  -8.155  -8.714
  815   1HB   ALA 107           HB3      ALA 107  92.362  -7.079  -6.519
  816   2HB   ALA 107           HB2      ALA 107  93.492  -7.593  -7.771
  817   3HB   ALA 107           HB1      ALA 107  92.208  -6.447  -8.158
  818    H    GLN 108           HN       GLN 108  93.580  -9.549  -6.850
  819    HA   GLN 108           HA       GLN 108  94.669 -10.969  -9.065
  820   1HB   GLN 108          2HB       GLN 108  94.898 -11.449  -6.081
  821   2HB   GLN 108          3HB       GLN 108  95.825 -12.350  -7.278
  822   1HG   GLN 108          2HG       GLN 108  96.703 -10.159  -8.153
  823   2HG   GLN 108          3HG       GLN 108  95.892  -9.356  -6.804
  824   1HE2  GLN 108          HE22      GLN 108  98.739 -12.051  -5.583
  825   2HE2  GLN 108          HE21      GLN 108  97.555 -12.527  -6.702
  826    H    GLN 109           HN       GLN 109  92.369 -11.966  -6.545
  827    HA   GLN 109           HA       GLN 109  92.080 -14.604  -7.864
  828   1HB   GLN 109          2HB       GLN 109  90.930 -13.486  -5.289
  829   2HB   GLN 109          3HB       GLN 109  90.596 -15.106  -5.903
  830   1HG   GLN 109          2HG       GLN 109  92.401 -15.375  -4.364
  831   2HG   GLN 109          3HG       GLN 109  93.134 -15.447  -5.968
  832   1HE2  GLN 109          HE22      GLN 109  95.403 -13.048  -4.634
  833   2HE2  GLN 109          HE21      GLN 109  95.200 -14.681  -5.051
  834    H    ARG 110           HN       ARG 110  90.325 -15.111  -9.108
  835    HA   ARG 110           HA       ARG 110  88.125 -13.089  -9.253
  836   1HB   ARG 110          2HB       ARG 110  89.213 -14.907 -11.430
  837   2HB   ARG 110          3HB       ARG 110  87.812 -13.854 -11.610
  838   1HG   ARG 110          2HG       ARG 110  89.356 -11.929 -10.903
  839   2HG   ARG 110          3HG       ARG 110  90.694 -13.049 -11.168
  840   1HD   ARG 110          2HD       ARG 110  88.604 -12.339 -13.245
  841   2HD   ARG 110          3HD       ARG 110  90.222 -11.649 -13.174
  842    HE   ARG 110           HE       ARG 110  90.606 -14.421 -13.215
  843   1HH1  ARG 110          HH21      ARG 110  89.132 -11.987 -15.162
  844   2HH1  ARG 110          HH22      ARG 110  89.291 -12.883 -16.635
  845   1HH2  ARG 110          HH11      ARG 110  90.820 -15.603 -15.124
  846   2HH2  ARG 110          HH12      ARG 110  90.245 -14.930 -16.615
  847    H    ARG 111           HN       ARG 111  86.011 -13.897  -9.216
  848    HA   ARG 111           HA       ARG 111  85.288 -16.051  -7.704
  849   1HB   ARG 111          2HB       ARG 111  83.912 -15.032 -10.201
  850   2HB   ARG 111          3HB       ARG 111  83.167 -16.150  -9.059
  851   1HG   ARG 111          2HG       ARG 111  83.469 -14.516  -7.244
  852   2HG   ARG 111          3HG       ARG 111  84.270 -13.413  -8.352
  853   1HD   ARG 111          2HD       ARG 111  82.297 -12.607  -9.055
  854   2HD   ARG 111          3HD       ARG 111  81.735 -14.225  -9.470
  855    HE   ARG 111           HE       ARG 111  80.826 -12.693  -7.252
  856   1HH1  ARG 111          HH21      ARG 111  82.082 -15.817  -7.941
  857   2HH1  ARG 111          HH22      ARG 111  81.466 -16.536  -6.496
  858   1HH2  ARG 111          HH11      ARG 111  80.007 -13.607  -5.359
  859   2HH2  ARG 111          HH12      ARG 111  80.288 -15.285  -5.033
   
  No H/Q in entry =         859
  Start of MODEL   16
    1   1H    GLU   1           HT1      GLU   1  94.935  -1.157 -20.940
    2   2H    GLU   1           HT3      GLU   1  96.621  -1.274 -21.077
    3   3H    GLU   1           HT2      GLU   1  95.645  -2.601 -21.486
    4    HA   GLU   1           HA       GLU   1  95.858  -3.365 -19.433
    5   1HB   GLU   1          2HB       GLU   1  97.100  -0.658 -18.828
    6   2HB   GLU   1          3HB       GLU   1  97.152  -2.060 -17.756
    7   1HG   GLU   1          2HG       GLU   1  98.237  -2.021 -20.588
    8   2HG   GLU   1          3HG       GLU   1  99.222  -1.823 -19.137
    9    H    ASP   2           HN       ASP   2  93.648  -3.514 -18.982
   10    HA   ASP   2           HA       ASP   2  92.052  -1.237 -18.215
   11   1HB   ASP   2          2HB       ASP   2  91.579  -4.210 -17.883
   12   2HB   ASP   2          3HB       ASP   2  90.369  -2.963 -17.559
   13    H    LEU   3           HN       LEU   3  91.398  -0.574 -16.187
   14    HA   LEU   3           HA       LEU   3  93.086  -1.517 -13.933
   15   1HB   LEU   3          2HB       LEU   3  91.318   0.927 -14.263
   16   2HB   LEU   3          3HB       LEU   3  92.248   0.568 -12.813
   17    HG   LEU   3           HG       LEU   3  93.497   0.833 -15.558
   18   1HD1  LEU   3          HD11      LEU   3  92.622   2.865 -13.597
   19   2HD1  LEU   3          HD13      LEU   3  94.287   3.041 -14.151
   20   3HD1  LEU   3          HD12      LEU   3  92.969   3.038 -15.320
   21   1HD2  LEU   3          HD23      LEU   3  94.549   0.689 -12.721
   22   2HD2  LEU   3          HD22      LEU   3  94.932  -0.382 -14.067
   23   3HD2  LEU   3          HD21      LEU   3  95.534   1.273 -14.060
   24    HA   PRO   4           HA       PRO   4  89.611  -3.809 -12.369
   25   1HB   PRO   4          2HB       PRO   4  90.401  -3.950  -9.723
   26   2HB   PRO   4          3HB       PRO   4  90.999  -5.011 -11.013
   27   1HG   PRO   4          2HG       PRO   4  92.274  -2.642  -9.767
   28   2HG   PRO   4          3HG       PRO   4  93.004  -4.138 -10.372
   29   1HD   PRO   4          2HD       PRO   4  93.095  -1.776 -11.753
   30   2HD   PRO   4          3HD       PRO   4  93.122  -3.367 -12.547
   31    H    HIS   5           HN       HIS   5  90.252  -0.594 -11.600
   32    HA   HIS   5           HA       HIS   5  88.230  -0.303  -9.511
   33   1HB   HIS   5          2HB       HIS   5  89.632   1.794 -11.199
   34   2HB   HIS   5          3HB       HIS   5  88.627   2.123  -9.785
   35    HD1  HIS   5           HD1      HIS   5  89.483   0.541  -7.584
   36    HD2  HIS   5           HD2      HIS   5  92.289   1.625 -10.467
   37    HE1  HIS   5           HE1      HIS   5  91.758   0.224  -6.524
   38    H    HIS   6           HN       HIS   6  88.189  -0.496 -12.947
   39    HA   HIS   6           HA       HIS   6  85.951   1.183 -13.525
   40   1HB   HIS   6          2HB       HIS   6  86.906  -1.381 -14.829
   41   2HB   HIS   6          3HB       HIS   6  85.612  -0.376 -15.484
   42    HD1  HIS   6           HD1      HIS   6  86.710   0.723 -17.462
   43    HD2  HIS   6           HD2      HIS   6  89.052   0.972 -14.027
   44    HE1  HIS   6           HE1      HIS   6  88.663   2.228 -18.035
   45    H    ASP   7           HN       ASP   7  86.091  -2.293 -12.705
   46    HA   ASP   7           HA       ASP   7  83.156  -2.256 -12.295
   47   1HB   ASP   7          2HB       ASP   7  85.163  -4.521 -12.461
   48   2HB   ASP   7          3HB       ASP   7  83.459  -4.749 -12.065
   49    H    GLU   8           HN       GLU   8  82.350  -2.219 -10.226
   50    HA   GLU   8           HA       GLU   8  84.186  -1.956  -8.014
   51   1HB   GLU   8          2HB       GLU   8  82.261  -1.573  -6.656
   52   2HB   GLU   8          3HB       GLU   8  81.947  -0.804  -8.204
   53   1HG   GLU   8          2HG       GLU   8  81.032  -3.623  -7.625
   54   2HG   GLU   8          3HG       GLU   8  80.054  -2.215  -7.222
   55    H    LYS   9           HN       LYS   9  83.178  -4.611  -9.639
   56    HA   LYS   9           HA       LYS   9  82.527  -6.507  -7.628
   57   1HB   LYS   9          2HB       LYS   9  83.102  -8.160  -9.271
   58   2HB   LYS   9          3HB       LYS   9  82.521  -6.768 -10.201
   59   1HG   LYS   9          2HG       LYS   9  84.985  -5.983 -10.194
   60   2HG   LYS   9          3HG       LYS   9  85.370  -7.631  -9.713
   61   1HD   LYS   9          2HD       LYS   9  84.300  -8.501 -11.733
   62   2HD   LYS   9          3HD       LYS   9  83.841  -6.864 -12.213
   63   1HE   LYS   9          2HE       LYS   9  86.363  -6.306 -12.002
   64   2HE   LYS   9          3HE       LYS   9  86.608  -8.053 -12.026
   65   1HZ   LYS   9           HZ1      LYS   9  84.924  -7.711 -14.081
   66   2HZ   LYS   9           HZ3      LYS   9  85.814  -6.269 -14.162
   67   3HZ   LYS   9           HZ2      LYS   9  86.617  -7.767 -14.235
   68    H    THR  10           HN       THR  10  85.629  -5.286  -8.793
   69    HA   THR  10           HA       THR  10  87.274  -7.189  -7.433
   70    HB   THR  10           HB       THR  10  89.091  -5.586  -7.884
   71    HG1  THR  10           HG1      THR  10  87.720  -3.805  -9.283
   72   1HG2  THR  10          HG21      THR  10  87.524  -6.958  -9.696
   73   2HG2  THR  10          HG23      THR  10  87.576  -5.333 -10.380
   74   3HG2  THR  10          HG22      THR  10  89.079  -6.202 -10.058
   75    H    TRP  11           HN       TRP  11  85.763  -4.200  -6.296
   76    HA   TRP  11           HA       TRP  11  87.043  -4.779  -3.655
   77   1HB   TRP  11          2HB       TRP  11  86.563  -2.120  -3.448
   78   2HB   TRP  11          3HB       TRP  11  88.100  -2.797  -3.986
   79    HD1  TRP  11           HD1      TRP  11  88.491  -2.941  -6.651
   80    HE1  TRP  11           HE1      TRP  11  87.572  -1.521  -8.572
   81    HE3  TRP  11           HE3      TRP  11  84.629  -0.673  -4.238
   82    HZ2  TRP  11           HZ2      TRP  11  85.475   0.402  -9.006
   83    HZ3  TRP  11           HZ3      TRP  11  83.189   0.957  -5.423
   84    HH2  TRP  11           HH2      TRP  11  83.607   1.494  -7.804
   85    H    ASN  12           HN       ASN  12  84.064  -4.240  -5.326
   86    HA   ASN  12           HA       ASN  12  82.701  -3.678  -2.732
   87   1HB   ASN  12          2HB       ASN  12  82.155  -2.182  -4.595
   88   2HB   ASN  12          3HB       ASN  12  81.597  -3.558  -5.542
   89   1HD2  ASN  12          HD22      ASN  12  78.411  -2.677  -4.191
   90   2HD2  ASN  12          HD21      ASN  12  79.399  -2.584  -5.569
   91    H    VAL  13           HN       VAL  13  81.904  -5.334  -1.652
   92    HA   VAL  13           HA       VAL  13  80.615  -7.570  -3.138
   93    HB   VAL  13           HB       VAL  13  82.947  -8.180  -2.326
   94   1HG1  VAL  13          HG11      VAL  13  82.170  -6.868  -0.049
   95   2HG1  VAL  13          HG13      VAL  13  81.898  -8.550   0.408
   96   3HG1  VAL  13          HG12      VAL  13  83.499  -8.025  -0.120
   97   1HG2  VAL  13          HG21      VAL  13  80.391  -9.567  -1.625
   98   2HG2  VAL  13          HG23      VAL  13  81.661 -10.069  -2.744
   99   3HG2  VAL  13          HG22      VAL  13  81.893 -10.252  -1.002
  100    H    GLY  14           HN       GLY  14  79.492  -5.285  -1.916
  101   1HA   GLY  14          2HA       GLY  14  78.606  -5.143   0.615
  102   2HA   GLY  14          3HA       GLY  14  77.457  -5.006  -0.705
  103    H    SER  15           HN       SER  15  77.930  -7.915  -1.450
  104    HA   SER  15           HA       SER  15  75.775  -9.017   0.056
  105   1HB   SER  15          2HB       SER  15  76.347 -11.152  -0.980
  106   2HB   SER  15          3HB       SER  15  76.475  -9.865  -2.173
  107    HG   SER  15           HG       SER  15  78.675 -10.736  -0.620
  108    H    SER  16           HN       SER  16  78.896  -8.394   1.101
  109    HA   SER  16           HA       SER  16  79.024 -10.747   2.893
  110   1HB   SER  16          2HB       SER  16  80.925  -8.442   2.412
  111   2HB   SER  16          3HB       SER  16  81.199  -9.697   3.621
  112    HG   SER  16           HG       SER  16  82.100  -9.974   1.385
  113    H    ASN  17           HN       ASN  17  79.418 -10.401   5.212
  114    HA   ASN  17           HA       ASN  17  77.907  -8.040   6.248
  115   1HB   ASN  17          2HB       ASN  17  78.194 -10.849   7.364
  116   2HB   ASN  17          3HB       ASN  17  77.416  -9.518   8.225
  117   1HD2  ASN  17          HD22      ASN  17  74.824 -11.447   6.264
  118   2HD2  ASN  17          HD21      ASN  17  75.980 -11.904   7.427
  119    H    ARG  18           HN       ARG  18  78.674  -7.346   8.487
  120    HA   ARG  18           HA       ARG  18  81.452  -6.742   8.456
  121   1HB   ARG  18          2HB       ARG  18  79.558  -6.831  10.827
  122   2HB   ARG  18          3HB       ARG  18  81.137  -6.061  10.832
  123   1HG   ARG  18          2HG       ARG  18  78.583  -5.120   9.667
  124   2HG   ARG  18          3HG       ARG  18  79.941  -4.195  10.293
  125   1HD   ARG  18          2HD       ARG  18  79.850  -5.564   7.585
  126   2HD   ARG  18          3HD       ARG  18  79.665  -3.836   7.874
  127    HE   ARG  18           HE       ARG  18  82.078  -4.418   9.074
  128   1HH1  ARG  18          HH21      ARG  18  80.642  -4.903   5.979
  129   2HH1  ARG  18          HH22      ARG  18  82.150  -4.877   5.133
  130   1HH2  ARG  18          HH11      ARG  18  84.046  -4.384   7.993
  131   2HH2  ARG  18          HH12      ARG  18  84.082  -4.583   6.271
  132    H    ASN  19           HN       ASN  19  79.724  -9.356  10.191
  133    HA   ASN  19           HA       ASN  19  82.013 -10.329  11.604
  134   1HB   ASN  19          2HB       ASN  19  79.594 -11.003  11.982
  135   2HB   ASN  19          3HB       ASN  19  79.726 -12.010  10.542
  136   1HD2  ASN  19          HD22      ASN  19  81.193 -13.376  14.032
  137   2HD2  ASN  19          HD21      ASN  19  80.269 -11.956  13.924
  138    H    LYS  20           HN       LYS  20  80.664 -11.156   8.422
  139    HA   LYS  20           HA       LYS  20  82.626 -13.151   7.780
  140   1HB   LYS  20          2HB       LYS  20  80.450 -12.854   6.572
  141   2HB   LYS  20          3HB       LYS  20  81.093 -11.369   5.868
  142   1HG   LYS  20          2HG       LYS  20  82.950 -12.630   4.869
  143   2HG   LYS  20          3HG       LYS  20  82.329 -14.120   5.581
  144   1HD   LYS  20          2HD       LYS  20  80.186 -13.744   4.322
  145   2HD   LYS  20          3HD       LYS  20  80.964 -12.387   3.509
  146   1HE   LYS  20          2HE       LYS  20  82.727 -13.902   2.673
  147   2HE   LYS  20          3HE       LYS  20  81.934 -15.261   3.473
  148   1HZ   LYS  20           HZ1      LYS  20  80.276 -13.637   1.724
  149   2HZ   LYS  20           HZ3      LYS  20  81.459 -14.580   0.959
  150   3HZ   LYS  20           HZ2      LYS  20  80.295 -15.322   1.952
  151    H    ALA  21           HN       ALA  21  82.561  -9.651   7.569
  152    HA   ALA  21           HA       ALA  21  84.726  -9.292   5.755
  153   1HB   ALA  21           HB1      ALA  21  83.139  -7.501   6.599
  154   2HB   ALA  21           HB3      ALA  21  84.073  -7.488   8.096
  155   3HB   ALA  21           HB2      ALA  21  84.839  -7.039   6.573
  156    H    GLU  22           HN       GLU  22  84.669  -9.737   9.287
  157    HA   GLU  22           HA       GLU  22  87.462  -9.325   9.721
  158   1HB   GLU  22          2HB       GLU  22  85.421 -11.035  11.167
  159   2HB   GLU  22          3HB       GLU  22  87.075 -10.830  11.740
  160   1HG   GLU  22          2HG       GLU  22  85.145  -8.547  11.207
  161   2HG   GLU  22          3HG       GLU  22  85.490  -9.214  12.806
  162    H    ASN  23           HN       ASN  23  85.593 -12.235   8.881
  163    HA   ASN  23           HA       ASN  23  87.810 -14.041   8.825
  164   1HB   ASN  23          2HB       ASN  23  85.120 -14.074   7.435
  165   2HB   ASN  23          3HB       ASN  23  86.280 -15.391   7.294
  166   1HD2  ASN  23          HD22      ASN  23  84.047 -16.240  10.148
  167   2HD2  ASN  23          HD21      ASN  23  83.859 -16.039   8.473
  168    H    LEU  24           HN       LEU  24  86.250 -12.016   6.326
  169    HA   LEU  24           HA       LEU  24  88.049 -12.843   4.201
  170   1HB   LEU  24          2HB       LEU  24  86.247 -10.427   4.525
  171   2HB   LEU  24          3HB       LEU  24  87.219 -10.708   3.084
  172    HG   LEU  24           HG       LEU  24  85.177 -12.665   4.184
  173   1HD1  LEU  24          HD11      LEU  24  85.038 -10.759   1.825
  174   2HD1  LEU  24          HD13      LEU  24  83.826 -11.978   2.221
  175   3HD1  LEU  24          HD12      LEU  24  84.103 -10.623   3.316
  176   1HD2  LEU  24          HD23      LEU  24  87.256 -12.751   2.106
  177   2HD2  LEU  24          HD22      LEU  24  86.381 -14.079   2.870
  178   3HD2  LEU  24          HD21      LEU  24  85.659 -13.211   1.514
  179    H    LEU  25           HN       LEU  25  88.015 -10.249   6.596
  180    HA   LEU  25           HA       LEU  25  90.373  -8.903   5.510
  181   1HB   LEU  25          2HB       LEU  25  88.954  -8.742   8.188
  182   2HB   LEU  25          3HB       LEU  25  90.373  -7.780   7.797
  183    HG   LEU  25           HG       LEU  25  87.940  -7.751   6.015
  184   1HD1  LEU  25          HD11      LEU  25  88.286  -6.628   8.721
  185   2HD1  LEU  25          HD13      LEU  25  87.794  -5.446   7.511
  186   3HD1  LEU  25          HD12      LEU  25  86.809  -6.881   7.790
  187   1HD2  LEU  25          HD23      LEU  25  90.444  -6.714   5.700
  188   2HD2  LEU  25          HD22      LEU  25  88.998  -5.988   4.998
  189   3HD2  LEU  25          HD21      LEU  25  89.645  -5.370   6.520
  190    H    ARG  26           HN       ARG  26  89.763 -11.703   7.283
  191    HA   ARG  26           HA       ARG  26  92.239 -11.712   8.813
  192   1HB   ARG  26          2HB       ARG  26  90.949 -13.182   9.953
  193   2HB   ARG  26          3HB       ARG  26  89.805 -13.295   8.618
  194   1HG   ARG  26          2HG       ARG  26  91.153 -14.972   7.525
  195   2HG   ARG  26          3HG       ARG  26  92.444 -14.783   8.713
  196   1HD   ARG  26          2HD       ARG  26  90.787 -15.469  10.496
  197   2HD   ARG  26          3HD       ARG  26  89.648 -15.846   9.204
  198    HE   ARG  26           HE       ARG  26  91.879 -17.299   8.500
  199   1HH1  ARG  26          HH21      ARG  26  90.027 -16.895  11.385
  200   2HH1  ARG  26          HH22      ARG  26  90.267 -18.527  11.926
  201   1HH2  ARG  26          HH11      ARG  26  92.197 -19.438   9.195
  202   2HH2  ARG  26          HH12      ARG  26  91.489 -19.961  10.687
  203    H    GLY  27           HN       GLY  27  94.175 -12.298   8.003
  204   1HA   GLY  27          2HA       GLY  27  95.707 -13.553   6.689
  205   2HA   GLY  27          3HA       GLY  27  94.343 -14.253   5.815
  206    H    LYS  28           HN       LYS  28  94.008 -10.896   6.088
  207    HA   LYS  28           HA       LYS  28  94.857 -10.602   3.257
  208   1HB   LYS  28          2HB       LYS  28  93.062  -8.930   5.028
  209   2HB   LYS  28          3HB       LYS  28  93.587  -8.409   3.424
  210   1HG   LYS  28          2HG       LYS  28  92.250 -11.083   3.862
  211   2HG   LYS  28          3HG       LYS  28  91.319  -9.616   3.572
  212   1HD   LYS  28          2HD       LYS  28  91.638  -9.919   1.364
  213   2HD   LYS  28          3HD       LYS  28  93.357  -9.618   1.620
  214   1HE   LYS  28          2HE       LYS  28  93.156 -11.764   0.536
  215   2HE   LYS  28          3HE       LYS  28  93.608 -12.061   2.213
  216   1HZ   LYS  28           HZ3      LYS  28  90.770 -11.898   1.799
  217   2HZ   LYS  28           HZ2      LYS  28  91.497 -13.173   0.946
  218   3HZ   LYS  28           HZ1      LYS  28  91.676 -13.064   2.631
  219    H    ARG  29           HN       ARG  29  96.668  -9.541   2.793
  220    HA   ARG  29           HA       ARG  29  98.274  -8.337   4.907
  221   1HB   ARG  29          2HB       ARG  29  98.676  -8.482   1.904
  222   2HB   ARG  29          3HB       ARG  29  99.867  -7.844   3.039
  223   1HG   ARG  29          2HG       ARG  29 100.559  -9.915   3.581
  224   2HG   ARG  29          3HG       ARG  29  98.908 -10.435   3.917
  225   1HD   ARG  29          2HD       ARG  29  98.609 -10.613   1.374
  226   2HD   ARG  29          3HD       ARG  29 100.359 -10.442   1.261
  227    HE   ARG  29           HE       ARG  29  99.964 -12.491   3.109
  228   1HH1  ARG  29          HH21      ARG  29  99.012 -11.761  -0.121
  229   2HH1  ARG  29          HH22      ARG  29  98.957 -13.419  -0.621
  230   1HH2  ARG  29          HH11      ARG  29  99.896 -14.659   2.480
  231   2HH2  ARG  29          HH12      ARG  29  99.458 -15.062   0.853
  232    H    ASP  30           HN       ASP  30  99.088  -6.109   4.744
  233    HA   ASP  30           HA       ASP  30  97.065  -4.158   4.648
  234   1HB   ASP  30          2HB       ASP  30  99.303  -3.892   5.726
  235   2HB   ASP  30          3HB       ASP  30 100.022  -3.738   4.128
  236    H    GLY  31           HN       GLY  31  96.290  -2.780   3.073
  237   1HA   GLY  31          2HA       GLY  31  96.571  -1.643   0.894
  238   2HA   GLY  31          3HA       GLY  31  97.419  -3.076   0.322
  239    H    THR  32           HN       THR  32  95.447  -4.875   1.655
  240    HA   THR  32           HA       THR  32  93.502  -4.895  -0.531
  241    HB   THR  32           HB       THR  32  93.766  -6.711   1.870
  242    HG1  THR  32           HG1      THR  32  95.582  -6.934   0.671
  243   1HG2  THR  32          HG23      THR  32  91.843  -6.506  -0.305
  244   2HG2  THR  32          HG22      THR  32  92.647  -8.080  -0.294
  245   3HG2  THR  32          HG21      THR  32  91.790  -7.517   1.141
  246    H    PHE  33           HN       PHE  33  91.554  -3.798  -0.388
  247    HA   PHE  33           HA       PHE  33  90.357  -3.631   2.321
  248   1HB   PHE  33          2HB       PHE  33  90.075  -1.373   2.288
  249   2HB   PHE  33          3HB       PHE  33  91.561  -1.483   1.351
  250    HD1  PHE  33           HD1      PHE  33  91.054  -1.961  -1.305
  251    HD2  PHE  33           HD2      PHE  33  88.447  -0.005   1.482
  252    HE1  PHE  33           HE1      PHE  33  89.922  -0.764  -3.168
  253    HE2  PHE  33           HE2      PHE  33  87.318   1.161  -0.400
  254    HZ   PHE  33           HZ       PHE  33  88.058   0.775  -2.706
  255    H    LEU  34           HN       LEU  34  88.076  -3.320   2.373
  256    HA   LEU  34           HA       LEU  34  86.685  -4.460  -0.012
  257   1HB   LEU  34          2HB       LEU  34  85.930  -4.467   2.926
  258   2HB   LEU  34          3HB       LEU  34  84.954  -5.161   1.643
  259    HG   LEU  34           HG       LEU  34  86.357  -6.808   2.956
  260   1HD1  LEU  34          HD11      LEU  34  85.456  -7.335   0.745
  261   2HD1  LEU  34          HD13      LEU  34  86.864  -6.596  -0.015
  262   3HD1  LEU  34          HD12      LEU  34  87.054  -8.056   0.953
  263   1HD2  LEU  34          HD21      LEU  34  88.393  -5.161   2.887
  264   2HD2  LEU  34          HD23      LEU  34  88.676  -6.894   2.756
  265   3HD2  LEU  34          HD22      LEU  34  88.693  -5.894   1.311
  266    H    VAL  35           HN       VAL  35  84.477  -3.733  -0.395
  267    HA   VAL  35           HA       VAL  35  83.789  -1.066   0.737
  268    HB   VAL  35           HB       VAL  35  83.804  -1.871  -2.187
  269   1HG1  VAL  35          HG13      VAL  35  82.184   0.197  -0.720
  270   2HG1  VAL  35          HG12      VAL  35  82.721   0.516  -2.373
  271   3HG1  VAL  35          HG11      VAL  35  81.694  -0.879  -2.030
  272   1HG2  VAL  35          HG21      VAL  35  85.542  -0.358  -0.528
  273   2HG2  VAL  35          HG23      VAL  35  85.601  -0.503  -2.285
  274   3HG2  VAL  35          HG22      VAL  35  84.687   0.809  -1.542
  275    H    ARG  36           HN       ARG  36  81.898  -1.474   1.851
  276    HA   ARG  36           HA       ARG  36  79.837  -3.141   0.468
  277   1HB   ARG  36          2HB       ARG  36  80.763  -3.399   3.341
  278   2HB   ARG  36          3HB       ARG  36  79.312  -4.172   2.698
  279   1HG   ARG  36          2HG       ARG  36  80.515  -5.646   1.390
  280   2HG   ARG  36          3HG       ARG  36  81.870  -4.542   1.214
  281   1HD   ARG  36          2HD       ARG  36  82.551  -4.962   3.521
  282   2HD   ARG  36          3HD       ARG  36  81.154  -6.014   3.765
  283    HE   ARG  36           HE       ARG  36  82.450  -7.127   1.586
  284   1HH1  ARG  36          HH21      ARG  36  83.339  -6.156   4.774
  285   2HH1  ARG  36          HH22      ARG  36  84.555  -7.376   4.946
  286   1HH2  ARG  36          HH11      ARG  36  84.026  -8.724   1.798
  287   2HH2  ARG  36          HH12      ARG  36  84.943  -8.831   3.263
  288    H    GLU  37           HN       GLU  37  77.661  -2.911   1.745
  289    HA   GLU  37           HA       GLU  37  77.242  -0.032   2.095
  290   1HB   GLU  37          2HB       GLU  37  74.836  -0.776   2.396
  291   2HB   GLU  37          3HB       GLU  37  75.544  -1.235   0.848
  292   1HG   GLU  37          2HG       GLU  37  75.837  -3.481   1.518
  293   2HG   GLU  37          3HG       GLU  37  75.668  -3.083   3.229
  294    H    SER  38           HN       SER  38  75.762   0.534   4.062
  295    HA   SER  38           HA       SER  38  77.114  -0.460   6.471
  296   1HB   SER  38          2HB       SER  38  74.795   1.463   6.080
  297   2HB   SER  38          3HB       SER  38  75.559   1.122   7.633
  298    HG   SER  38           HG       SER  38  77.210   2.309   7.065
  299    H    SER  39           HN       SER  39  75.370  -1.955   4.530
  300    HA   SER  39           HA       SER  39  73.980  -3.772   4.577
  301   1HB   SER  39          2HB       SER  39  73.688  -4.974   6.622
  302   2HB   SER  39          3HB       SER  39  75.279  -4.227   6.747
  303    HG   SER  39           HG       SER  39  73.579  -4.026   8.540
  304    H    LYS  40           HN       LYS  40  72.317  -3.153   7.504
  305    HA   LYS  40           HA       LYS  40  69.834  -2.663   6.207
  306   1HB   LYS  40          2HB       LYS  40  70.093  -3.506   8.560
  307   2HB   LYS  40          3HB       LYS  40  70.563  -1.879   9.044
  308   1HG   LYS  40          2HG       LYS  40  68.397  -1.012   8.188
  309   2HG   LYS  40          3HG       LYS  40  67.916  -2.665   7.790
  310   1HD   LYS  40          2HD       LYS  40  68.075  -3.319  10.141
  311   2HD   LYS  40          3HD       LYS  40  68.671  -1.712  10.569
  312   1HE   LYS  40          2HE       LYS  40  65.991  -2.154   9.236
  313   2HE   LYS  40          3HE       LYS  40  66.188  -2.097  10.987
  314   1HZ   LYS  40           HZ1      LYS  40  67.553   0.078   9.928
  315   2HZ   LYS  40           HZ3      LYS  40  66.041   0.038   9.164
  316   3HZ   LYS  40           HZ2      LYS  40  66.135   0.093  10.860
  317    H    GLN  41           HN       GLN  41  72.189  -0.371   7.605
  318    HA   GLN  41           HA       GLN  41  70.483   1.926   7.018
  319   1HB   GLN  41          2HB       GLN  41  73.425   1.791   7.769
  320   2HB   GLN  41          3HB       GLN  41  72.462   3.266   7.691
  321   1HG   GLN  41          2HG       GLN  41  70.896   2.254   9.380
  322   2HG   GLN  41          3HG       GLN  41  72.026   0.909   9.545
  323   1HE2  GLN  41          HE22      GLN  41  74.605   3.299  10.837
  324   2HE2  GLN  41          HE21      GLN  41  74.510   2.258   9.501
  325    H    GLY  42           HN       GLY  42  70.883   3.495   5.352
  326   1HA   GLY  42          2HA       GLY  42  71.848   2.333   2.860
  327   2HA   GLY  42          3HA       GLY  42  71.224   3.969   3.063
  328    H    CYS  43           HN       CYS  43  73.563   3.456   5.389
  329    HA   CYS  43           HA       CYS  43  75.429   5.195   3.970
  330   1HB   CYS  43          2HB       CYS  43  75.552   3.878   6.695
  331   2HB   CYS  43          3HB       CYS  43  76.788   4.977   6.078
  332    HG   CYS  43           HG       CYS  43  74.803   6.793   5.868
  333    H    TYR  44           HN       TYR  44  77.669   4.652   3.594
  334    HA   TYR  44           HA       TYR  44  78.081   1.731   3.090
  335   1HB   TYR  44          2HB       TYR  44  79.020   4.153   1.531
  336   2HB   TYR  44          3HB       TYR  44  79.522   2.497   1.184
  337    HD1  TYR  44           HD2      TYR  44  76.654   4.841   1.254
  338    HD2  TYR  44           HD1      TYR  44  78.033   0.933   0.140
  339    HE1  TYR  44           HE2      TYR  44  74.580   4.488  -0.067
  340    HE2  TYR  44           HE1      TYR  44  75.960   0.575  -1.172
  341    HH   TYR  44           HH       TYR  44  73.859   3.072  -2.004
  342    H    ALA  45           HN       ALA  45  80.206   0.906   3.475
  343    HA   ALA  45           HA       ALA  45  82.199   2.762   4.640
  344   1HB   ALA  45           HB2      ALA  45  81.132   0.325   6.107
  345   2HB   ALA  45           HB1      ALA  45  82.515   1.294   6.620
  346   3HB   ALA  45           HB3      ALA  45  80.901   2.006   6.589
  347    H    CYS  46           HN       CYS  46  84.292   2.072   4.123
  348    HA   CYS  46           HA       CYS  46  84.445  -0.520   2.667
  349   1HB   CYS  46          2HB       CYS  46  86.418   1.780   2.524
  350   2HB   CYS  46          3HB       CYS  46  86.333   0.382   1.447
  351    HG   CYS  46           HG       CYS  46  83.879   1.336   0.755
  352    H    SER  47           HN       SER  47  85.669  -2.111   3.489
  353    HA   SER  47           HA       SER  47  87.016  -1.595   6.065
  354   1HB   SER  47          2HB       SER  47  86.739  -3.823   6.512
  355   2HB   SER  47          3HB       SER  47  85.491  -3.665   5.282
  356    HG   SER  47           HG       SER  47  86.622  -5.164   4.323
  357    H    VAL  48           HN       VAL  48  89.224  -1.511   6.320
  358    HA   VAL  48           HA       VAL  48  90.885  -2.448   4.030
  359    HB   VAL  48           HB       VAL  48  90.793  -0.059   3.805
  360   1HG1  VAL  48          HG12      VAL  48  90.099   0.221   6.269
  361   2HG1  VAL  48          HG11      VAL  48  91.827   0.223   6.618
  362   3HG1  VAL  48          HG13      VAL  48  91.138   1.466   5.576
  363   1HG2  VAL  48          HG23      VAL  48  93.012  -1.254   3.588
  364   2HG2  VAL  48          HG22      VAL  48  93.134   0.470   3.956
  365   3HG2  VAL  48          HG21      VAL  48  93.371  -0.723   5.234
  366    H    VAL  49           HN       VAL  49  93.074  -2.967   4.591
  367    HA   VAL  49           HA       VAL  49  93.417  -3.599   7.498
  368    HB   VAL  49           HB       VAL  49  94.513  -5.121   5.117
  369   1HG1  VAL  49          HG12      VAL  49  95.227  -5.049   7.922
  370   2HG1  VAL  49          HG11      VAL  49  94.616  -6.645   7.494
  371   3HG1  VAL  49          HG13      VAL  49  95.982  -5.960   6.614
  372   1HG2  VAL  49          HG23      VAL  49  91.933  -5.161   6.141
  373   2HG2  VAL  49          HG22      VAL  49  92.687  -6.461   5.211
  374   3HG2  VAL  49          HG21      VAL  49  92.717  -6.505   6.974
  375    H    VAL  50           HN       VAL  50  95.504  -3.193   8.393
  376    HA   VAL  50           HA       VAL  50  97.320  -1.656   6.582
  377    HB   VAL  50           HB       VAL  50  96.535  -1.172   9.450
  378   1HG1  VAL  50          HG13      VAL  50  99.052  -0.314   8.005
  379   2HG1  VAL  50          HG12      VAL  50  98.423   0.556   9.407
  380   3HG1  VAL  50          HG11      VAL  50  98.923  -1.126   9.566
  381   1HG2  VAL  50          HG21      VAL  50  95.442  -0.087   7.350
  382   2HG2  VAL  50          HG23      VAL  50  95.946   0.984   8.660
  383   3HG2  VAL  50          HG22      VAL  50  96.949   0.821   7.217
  384    H    ASP  51           HN       ASP  51  99.610  -1.719   7.223
  385    HA   ASP  51           HA       ASP  51 100.583  -4.350   7.545
  386   1HB   ASP  51          2HB       ASP  51 102.774  -3.356   7.714
  387   2HB   ASP  51          3HB       ASP  51 101.838  -2.356   6.600
  388    H    GLY  52           HN       GLY  52  98.936  -2.770   9.844
  389   1HA   GLY  52          2HA       GLY  52 100.299  -4.309  11.967
  390   2HA   GLY  52          3HA       GLY  52 100.194  -2.572  12.215
  391    H    GLU  53           HN       GLU  53  97.382  -2.780  10.780
  392    HA   GLU  53           HA       GLU  53  95.869  -4.250  12.841
  393   1HB   GLU  53          2HB       GLU  53  96.319  -2.202  14.044
  394   2HB   GLU  53          3HB       GLU  53  95.833  -1.228  12.656
  395   1HG   GLU  53          2HG       GLU  53  93.554  -1.888  12.864
  396   2HG   GLU  53          3HG       GLU  53  93.952  -3.165  14.014
  397    H    VAL  54           HN       VAL  54  93.436  -3.940  12.498
  398    HA   VAL  54           HA       VAL  54  92.869  -3.487   9.593
  399    HB   VAL  54           HB       VAL  54  91.546  -5.439  11.501
  400   1HG1  VAL  54          HG13      VAL  54  90.946  -4.603   8.659
  401   2HG1  VAL  54          HG12      VAL  54  90.423  -6.166   9.298
  402   3HG1  VAL  54          HG11      VAL  54  89.842  -4.670  10.034
  403   1HG2  VAL  54          HG22      VAL  54  93.419  -5.754   9.142
  404   2HG2  VAL  54          HG21      VAL  54  93.661  -6.317  10.795
  405   3HG2  VAL  54          HG23      VAL  54  92.448  -7.087   9.772
  406    H    LYS  55           HN       LYS  55  91.371  -1.871   9.197
  407    HA   LYS  55           HA       LYS  55  89.635  -1.066  11.516
  408   1HB   LYS  55          2HB       LYS  55  90.340   0.895   9.364
  409   2HB   LYS  55          3HB       LYS  55  89.946   1.189  11.058
  410   1HG   LYS  55          2HG       LYS  55  92.239   1.550  11.046
  411   2HG   LYS  55          3HG       LYS  55  92.149  -0.151  11.504
  412   1HD   LYS  55          2HD       LYS  55  92.094  -0.332   8.771
  413   2HD   LYS  55          3HD       LYS  55  93.132   1.078   9.002
  414   1HE   LYS  55          2HE       LYS  55  94.756  -0.131  10.123
  415   2HE   LYS  55          3HE       LYS  55  93.621  -1.368  10.656
  416   1HZ   LYS  55           HZ1      LYS  55  93.593  -1.371   7.882
  417   2HZ   LYS  55           HZ3      LYS  55  95.218  -1.355   8.356
  418   3HZ   LYS  55           HZ2      LYS  55  94.187  -2.577   8.921
  419    H    HIS  56           HN       HIS  56  87.800   0.438  10.554
  420    HA   HIS  56           HA       HIS  56  86.662  -0.861   8.119
  421   1HB   HIS  56          2HB       HIS  56  85.349  -0.250  10.773
  422   2HB   HIS  56          3HB       HIS  56  84.399  -0.423   9.298
  423    HD1  HIS  56           HD1      HIS  56  85.577  -2.373  12.037
  424    HD2  HIS  56           HD2      HIS  56  85.185  -3.068   7.952
  425    HE1  HIS  56           HE1      HIS  56  85.537  -4.891  11.740
  426    H    CYS  57           HN       CYS  57  87.543   1.067   7.001
  427    HA   CYS  57           HA       CYS  57  86.966   3.738   7.736
  428   1HB   CYS  57          2HB       CYS  57  87.222   2.553   4.955
  429   2HB   CYS  57          3HB       CYS  57  87.271   4.275   5.327
  430    HG   CYS  57           HG       CYS  57  89.473   3.870   6.691
  431    H    VAL  58           HN       VAL  58  85.168   4.970   7.597
  432    HA   VAL  58           HA       VAL  58  82.705   3.614   6.637
  433    HB   VAL  58           HB       VAL  58  82.932   4.456   9.017
  434   1HG1  VAL  58          HG12      VAL  58  84.086   6.612   8.138
  435   2HG1  VAL  58          HG11      VAL  58  82.445   7.184   7.843
  436   3HG1  VAL  58          HG13      VAL  58  82.948   6.759   9.476
  437   1HG2  VAL  58          HG22      VAL  58  80.746   5.276   7.121
  438   2HG2  VAL  58          HG21      VAL  58  80.725   4.031   8.371
  439   3HG2  VAL  58          HG23      VAL  58  80.647   5.734   8.823
  440    H    ILE  59           HN       ILE  59  81.578   4.428   4.928
  441    HA   ILE  59           HA       ILE  59  82.586   6.951   3.701
  442    HB   ILE  59           HB       ILE  59  80.876   4.769   2.462
  443   1HG1  ILE  59          HG12      ILE  59  83.038   3.807   2.905
  444   2HG1  ILE  59          HG11      ILE  59  83.020   4.251   1.199
  445   1HG2  ILE  59          HG22      ILE  59  80.750   7.118   1.506
  446   2HG2  ILE  59          HG21      ILE  59  82.462   6.956   1.106
  447   3HG2  ILE  59          HG23      ILE  59  81.277   5.872   0.377
  448   1HD1  ILE  59          HD13      ILE  59  84.114   6.443   1.876
  449   2HD1  ILE  59          HD12      ILE  59  84.349   5.738   3.477
  450   3HD1  ILE  59          HD11      ILE  59  85.116   5.005   2.069
  451    H    ASN  60           HN       ASN  60  81.296   8.714   3.968
  452    HA   ASN  60           HA       ASN  60  78.464   8.225   4.777
  453   1HB   ASN  60          2HB       ASN  60  80.288  10.600   5.236
  454   2HB   ASN  60          3HB       ASN  60  78.586  10.553   5.703
  455   1HD2  ASN  60          HD22      ASN  60  79.739   7.487   7.785
  456   2HD2  ASN  60          HD21      ASN  60  79.016   7.505   6.249
  457    H    LYS  61           HN       LYS  61  76.926   8.675   3.327
  458    HA   LYS  61           HA       LYS  61  77.562  10.534   1.079
  459   1HB   LYS  61          2HB       LYS  61  75.487   8.333   1.311
  460   2HB   LYS  61          3HB       LYS  61  75.654   9.409  -0.078
  461   1HG   LYS  61          2HG       LYS  61  77.985   8.618  -0.390
  462   2HG   LYS  61          3HG       LYS  61  77.774   7.509   0.968
  463   1HD   LYS  61          2HD       LYS  61  77.395   6.267  -1.074
  464   2HD   LYS  61          3HD       LYS  61  75.841   6.473  -0.261
  465   1HE   LYS  61          2HE       LYS  61  75.099   8.074  -1.800
  466   2HE   LYS  61          3HE       LYS  61  76.738   8.483  -2.310
  467   1HZ   LYS  61           HZ1      LYS  61  75.951   5.731  -2.742
  468   2HZ   LYS  61           HZ3      LYS  61  75.113   6.872  -3.675
  469   3HZ   LYS  61           HZ2      LYS  61  76.808   6.791  -3.756
  470    H    THR  62           HN       THR  62  76.462  12.462   1.043
  471    HA   THR  62           HA       THR  62  73.914  12.626   2.595
  472    HB   THR  62           HB       THR  62  76.057  13.717   3.645
  473    HG1  THR  62           HG1      THR  62  73.707  15.248   3.272
  474   1HG2  THR  62          HG22      THR  62  76.356  14.880   1.290
  475   2HG2  THR  62          HG21      THR  62  75.288  16.080   2.013
  476   3HG2  THR  62          HG23      THR  62  76.828  15.690   2.781
  477    H    ALA  63           HN       ALA  63  72.991  15.056   1.920
  478    HA   ALA  63           HA       ALA  63  71.957  14.873  -0.636
  479   1HB   ALA  63           HB3      ALA  63  72.513  17.135   1.202
  480   2HB   ALA  63           HB2      ALA  63  72.286  17.576  -0.488
  481   3HB   ALA  63           HB1      ALA  63  71.019  16.702   0.372
  482    H    THR  64           HN       THR  64  75.158  15.756   0.341
  483    HA   THR  64           HA       THR  64  76.164  15.473  -2.393
  484    HB   THR  64           HB       THR  64  76.495  18.136  -0.967
  485    HG1  THR  64           HG1      THR  64  74.406  17.632  -2.002
  486   1HG2  THR  64          HG23      THR  64  78.064  16.837  -2.936
  487   2HG2  THR  64          HG22      THR  64  77.175  18.116  -3.763
  488   3HG2  THR  64          HG21      THR  64  78.200  18.507  -2.380
  489    H    GLY  65           HN       GLY  65  77.029  13.725  -0.866
  490   1HA   GLY  65          2HA       GLY  65  79.690  14.538   0.062
  491   2HA   GLY  65          3HA       GLY  65  78.601  14.042   1.356
  492    H    TYR  66           HN       TYR  66  80.656  12.488   1.296
  493    HA   TYR  66           HA       TYR  66  79.676   9.883   0.515
  494   1HB   TYR  66          2HB       TYR  66  82.125  10.946  -0.939
  495   2HB   TYR  66          3HB       TYR  66  81.470   9.317  -1.071
  496    HD1  TYR  66           HD1      TYR  66  79.250   8.933  -2.158
  497    HD2  TYR  66           HD2      TYR  66  81.120  12.803  -2.097
  498    HE1  TYR  66           HE1      TYR  66  77.708   9.714  -3.942
  499    HE2  TYR  66           HE2      TYR  66  79.582  13.576  -3.879
  500    HH   TYR  66           HH       TYR  66  77.379  13.005  -4.768
  501    H    GLY  67           HN       GLY  67  81.548  12.009   2.255
  502   1HA   GLY  67          2HA       GLY  67  82.404  10.281   4.257
  503   2HA   GLY  67          3HA       GLY  67  83.723  10.276   3.086
  504    H    PHE  68           HN       PHE  68  85.300  11.623   3.896
  505    HA   PHE  68           HA       PHE  68  84.431  14.125   5.240
  506   1HB   PHE  68          2HB       PHE  68  86.837  14.344   5.878
  507   2HB   PHE  68          3HB       PHE  68  86.094  12.860   6.468
  508    HD1  PHE  68           HD2      PHE  68  86.651  10.695   5.498
  509    HD2  PHE  68           HD1      PHE  68  88.517  14.300   4.093
  510    HE1  PHE  68           HE2      PHE  68  88.385   9.350   4.364
  511    HE2  PHE  68           HE1      PHE  68  90.263  12.951   2.954
  512    HZ   PHE  68           HZ       PHE  68  90.210  10.471   3.098
  513    H    ALA  69           HN       ALA  69  84.092  15.767   3.870
  514    HA   ALA  69           HA       ALA  69  85.981  16.105   1.572
  515   1HB   ALA  69           HB2      ALA  69  83.064  16.884   1.875
  516   2HB   ALA  69           HB1      ALA  69  84.084  17.396   0.531
  517   3HB   ALA  69           HB3      ALA  69  83.737  15.683   0.771
  518    H    GLU  70           HN       GLU  70  87.198  17.894   1.649
  519    HA   GLU  70           HA       GLU  70  86.307  20.175   3.372
  520   1HB   GLU  70          2HB       GLU  70  89.065  18.966   3.026
  521   2HB   GLU  70          3HB       GLU  70  88.793  20.535   3.781
  522   1HG   GLU  70          2HG       GLU  70  87.304  19.466   5.445
  523   2HG   GLU  70          3HG       GLU  70  87.608  17.901   4.697
  524    HA   PRO  71           HA       PRO  71  86.595  23.021   0.026
  525   1HB   PRO  71          2HB       PRO  71  89.054  24.156   1.276
  526   2HB   PRO  71          3HB       PRO  71  87.575  24.979   0.749
  527   1HG   PRO  71          2HG       PRO  71  88.215  24.298   3.365
  528   2HG   PRO  71          3HG       PRO  71  86.619  24.764   2.772
  529   1HD   PRO  71          2HD       PRO  71  87.406  22.203   3.777
  530   2HD   PRO  71          3HD       PRO  71  85.842  22.641   3.059
  531    H    TYR  72           HN       TYR  72  89.523  21.402   1.155
  532    HA   TYR  72           HA       TYR  72  90.693  21.532  -1.569
  533   1HB   TYR  72          2HB       TYR  72  92.225  21.942   0.321
  534   2HB   TYR  72          3HB       TYR  72  91.808  20.372   1.008
  535    HD1  TYR  72           HD1      TYR  72  93.007  21.877  -2.218
  536    HD2  TYR  72           HD2      TYR  72  93.139  18.521   0.469
  537    HE1  TYR  72           HE1      TYR  72  94.701  20.787  -3.659
  538    HE2  TYR  72           HE2      TYR  72  94.840  17.436  -0.974
  539    HH   TYR  72           HH       TYR  72  96.155  19.095  -3.829
  540    H    ASN  73           HN       ASN  73  89.264  19.327   0.752
  541    HA   ASN  73           HA       ASN  73  89.594  17.051  -1.139
  542   1HB   ASN  73          2HB       ASN  73  88.723  17.159   1.767
  543   2HB   ASN  73          3HB       ASN  73  88.826  15.678   0.812
  544   1HD2  ASN  73          HD22      ASN  73  92.546  16.661   0.439
  545   2HD2  ASN  73          HD21      ASN  73  91.261  16.871  -0.652
  546    H    LEU  74           HN       LEU  74  87.861  16.418  -2.347
  547    HA   LEU  74           HA       LEU  74  85.101  16.867  -1.388
  548   1HB   LEU  74          2HB       LEU  74  86.152  18.036  -3.983
  549   2HB   LEU  74          3HB       LEU  74  84.448  17.937  -3.551
  550    HG   LEU  74           HG       LEU  74  86.516  19.385  -1.879
  551   1HD1  LEU  74          HD11      LEU  74  85.009  20.167  -4.294
  552   2HD1  LEU  74          HD13      LEU  74  84.874  21.298  -2.948
  553   3HD1  LEU  74          HD12      LEU  74  86.461  20.880  -3.594
  554   1HD2  LEU  74          HD22      LEU  74  83.751  18.613  -1.502
  555   2HD2  LEU  74          HD21      LEU  74  84.833  19.432  -0.373
  556   3HD2  LEU  74          HD23      LEU  74  83.888  20.373  -1.528
  557    H    TYR  75           HN       TYR  75  84.753  14.588  -1.478
  558    HA   TYR  75           HA       TYR  75  85.582  12.928  -3.663
  559   1HB   TYR  75          2HB       TYR  75  83.267  12.622  -1.731
  560   2HB   TYR  75          3HB       TYR  75  83.838  11.349  -2.816
  561    HD1  TYR  75           HD1      TYR  75  86.450  10.902  -2.716
  562    HD2  TYR  75           HD2      TYR  75  84.149  12.717   0.425
  563    HE1  TYR  75           HE1      TYR  75  88.197  10.274  -1.070
  564    HE2  TYR  75           HE2      TYR  75  85.899  12.096   2.069
  565    HH   TYR  75           HH       TYR  75  88.512  11.612   1.875
  566    H    SER  76           HN       SER  76  84.771  12.808  -5.713
  567    HA   SER  76           HA       SER  76  82.373  14.406  -6.358
  568   1HB   SER  76          2HB       SER  76  83.013  14.107  -8.660
  569   2HB   SER  76          3HB       SER  76  84.483  14.447  -7.755
  570    HG   SER  76           HG       SER  76  83.721  11.784  -7.952
  571    H    SER  77           HN       SER  77  83.479  11.036  -6.885
  572    HA   SER  77           HA       SER  77  80.656  10.151  -6.608
  573   1HB   SER  77          2HB       SER  77  82.490   9.409  -8.907
  574   2HB   SER  77          3HB       SER  77  80.931   8.658  -8.585
  575    HG   SER  77           HG       SER  77  80.279  11.072  -8.574
  576    H    LEU  78           HN       LEU  78  80.625   7.654  -6.397
  577    HA   LEU  78           HA       LEU  78  82.458   6.875  -4.335
  578   1HB   LEU  78          2HB       LEU  78  80.585   5.237  -6.064
  579   2HB   LEU  78          3HB       LEU  78  81.516   4.562  -4.725
  580    HG   LEU  78           HG       LEU  78  79.625   6.917  -4.446
  581   1HD1  LEU  78          HD11      LEU  78  79.221   3.986  -3.776
  582   2HD1  LEU  78          HD13      LEU  78  78.130   5.290  -3.304
  583   3HD1  LEU  78          HD12      LEU  78  78.355   4.903  -5.011
  584   1HD2  LEU  78          HD23      LEU  78  81.565   5.547  -2.709
  585   2HD2  LEU  78          HD22      LEU  78  80.830   7.140  -2.535
  586   3HD2  LEU  78          HD21      LEU  78  79.963   5.706  -1.987
  587    H    LYS  79           HN       LYS  79  82.416   6.265  -7.839
  588    HA   LYS  79           HA       LYS  79  84.529   4.356  -7.930
  589   1HB   LYS  79          2HB       LYS  79  83.721   6.526  -9.892
  590   2HB   LYS  79          3HB       LYS  79  84.912   5.274 -10.259
  591   1HG   LYS  79          2HG       LYS  79  83.227   3.532  -9.835
  592   2HG   LYS  79          3HG       LYS  79  82.041   4.770  -9.429
  593   1HD   LYS  79          2HD       LYS  79  82.130   5.671 -11.690
  594   2HD   LYS  79          3HD       LYS  79  83.431   4.554 -12.117
  595   1HE   LYS  79          2HE       LYS  79  81.869   2.652 -11.571
  596   2HE   LYS  79          3HE       LYS  79  80.576   3.836 -11.393
  597   1HZ   LYS  79           HZ2      LYS  79  82.180   3.934 -13.836
  598   2HZ   LYS  79           HZ1      LYS  79  81.073   2.650 -13.678
  599   3HZ   LYS  79           HZ3      LYS  79  80.526   4.256 -13.609
  600    H    GLU  80           HN       GLU  80  84.556   7.889  -7.850
  601    HA   GLU  80           HA       GLU  80  87.408   8.195  -8.121
  602   1HB   GLU  80          2HB       GLU  80  85.668   9.996  -8.472
  603   2HB   GLU  80          3HB       GLU  80  85.477  10.065  -6.722
  604   1HG   GLU  80          2HG       GLU  80  87.909  10.555  -6.503
  605   2HG   GLU  80          3HG       GLU  80  88.037  10.571  -8.264
  606    H    LEU  81           HN       LEU  81  85.244   7.672  -5.392
  607    HA   LEU  81           HA       LEU  81  86.924   8.361  -3.240
  608   1HB   LEU  81          2HB       LEU  81  84.575   7.632  -2.971
  609   2HB   LEU  81          3HB       LEU  81  85.036   5.999  -3.442
  610    HG   LEU  81           HG       LEU  81  86.747   6.161  -1.485
  611   1HD1  LEU  81          HD11      LEU  81  85.875   8.735  -1.350
  612   2HD1  LEU  81          HD13      LEU  81  84.825   7.974  -0.155
  613   3HD1  LEU  81          HD12      LEU  81  86.576   7.867   0.012
  614   1HD2  LEU  81          HD23      LEU  81  84.229   5.082  -1.685
  615   2HD2  LEU  81          HD22      LEU  81  85.281   4.889  -0.286
  616   3HD2  LEU  81          HD21      LEU  81  84.043   6.144  -0.292
  617    H    VAL  82           HN       VAL  82  86.683   5.230  -4.941
  618    HA   VAL  82           HA       VAL  82  88.778   3.986  -3.424
  619    HB   VAL  82           HB       VAL  82  87.919   3.358  -6.260
  620   1HG1  VAL  82          HG11      VAL  82  89.734   2.138  -4.297
  621   2HG1  VAL  82          HG13      VAL  82  88.543   1.011  -4.954
  622   3HG1  VAL  82          HG12      VAL  82  89.624   1.884  -6.039
  623   1HG2  VAL  82          HG23      VAL  82  86.761   2.614  -3.573
  624   2HG2  VAL  82          HG22      VAL  82  85.931   3.327  -4.953
  625   3HG2  VAL  82          HG21      VAL  82  86.464   1.647  -5.017
  626    H    LEU  83           HN       LEU  83  88.728   5.692  -6.535
  627    HA   LEU  83           HA       LEU  83  91.516   5.330  -7.115
  628   1HB   LEU  83          2HB       LEU  83  89.571   7.493  -7.976
  629   2HB   LEU  83          3HB       LEU  83  91.166   7.240  -8.685
  630    HG   LEU  83           HG       LEU  83  89.011   5.111  -8.583
  631   1HD1  LEU  83          HD13      LEU  83  88.418   7.131  -9.988
  632   2HD1  LEU  83          HD12      LEU  83  89.855   6.794 -10.955
  633   3HD1  LEU  83          HD11      LEU  83  88.543   5.623 -10.892
  634   1HD2  LEU  83          HD22      LEU  83  91.796   5.319  -9.656
  635   2HD2  LEU  83          HD21      LEU  83  90.977   3.942  -8.916
  636   3HD2  LEU  83          HD23      LEU  83  90.622   4.387 -10.587
  637    H    HIS  84           HN       HIS  84  89.727   7.973  -5.533
  638    HA   HIS  84           HA       HIS  84  91.914   9.748  -5.191
  639   1HB   HIS  84          2HB       HIS  84  89.503  10.304  -4.818
  640   2HB   HIS  84          3HB       HIS  84  89.562   9.377  -3.317
  641    HD1  HIS  84           HD1      HIS  84  91.142  12.420  -4.943
  642    HD2  HIS  84           HD2      HIS  84  90.675  10.740  -1.158
  643    HE1  HIS  84           HE1      HIS  84  91.991  14.136  -3.290
  644    H    TYR  85           HN       TYR  85  90.717   7.184  -3.005
  645    HA   TYR  85           HA       TYR  85  92.745   7.749  -1.008
  646   1HB   TYR  85          2HB       TYR  85  90.458   5.980  -1.299
  647   2HB   TYR  85          3HB       TYR  85  91.830   5.134  -0.598
  648    HD1  TYR  85           HD2      TYR  85  93.204   7.131   1.009
  649    HD2  TYR  85           HD1      TYR  85  88.984   6.554   0.413
  650    HE1  TYR  85           HE2      TYR  85  92.747   8.210   3.190
  651    HE2  TYR  85           HE1      TYR  85  88.533   7.625   2.601
  652    HH   TYR  85           HH       TYR  85  90.990   8.220   4.888
  653    H    GLN  86           HN       GLN  86  92.637   5.851  -3.880
  654    HA   GLN  86           HA       GLN  86  94.726   3.984  -3.196
  655   1HB   GLN  86          2HB       GLN  86  93.662   3.276  -5.120
  656   2HB   GLN  86          3HB       GLN  86  93.337   4.919  -5.668
  657   1HG   GLN  86          2HG       GLN  86  94.984   3.752  -7.124
  658   2HG   GLN  86          3HG       GLN  86  95.673   5.184  -6.365
  659   1HE2  GLN  86          HE22      GLN  86  97.907   2.126  -5.937
  660   2HE2  GLN  86          HE21      GLN  86  97.118   2.759  -7.303
  661    H    HIS  87           HN       HIS  87  94.634   7.176  -4.715
  662    HA   HIS  87           HA       HIS  87  97.499   7.312  -5.150
  663   1HB   HIS  87          2HB       HIS  87  95.825   8.610  -6.474
  664   2HB   HIS  87          3HB       HIS  87  95.483   9.571  -5.035
  665    HD1  HIS  87           HD1      HIS  87  96.424  11.554  -6.686
  666    HD2  HIS  87           HD2      HIS  87  99.230   8.822  -5.251
  667    HE1  HIS  87           HE1      HIS  87  98.701  12.619  -7.023
  668    H    THR  88           HN       THR  88  95.285   8.521  -2.635
  669    HA   THR  88           HA       THR  88  97.628   9.612  -1.165
  670    HB   THR  88           HB       THR  88  94.690   9.814  -0.462
  671    HG1  THR  88           HG1      THR  88  95.482  12.101  -1.251
  672   1HG2  THR  88          HG21      THR  88  97.146  11.333   0.455
  673   2HG2  THR  88          HG23      THR  88  95.489  11.703   0.928
  674   3HG2  THR  88          HG22      THR  88  96.223  10.179   1.419
  675    H    SER  89           HN       SER  89  98.317   8.824   0.752
  676    HA   SER  89           HA       SER  89  97.482   6.102   1.459
  677   1HB   SER  89          2HB       SER  89  99.431   6.094   2.843
  678   2HB   SER  89          3HB       SER  89  99.872   6.979   1.382
  679    HG   SER  89           HG       SER  89  99.084   8.877   2.710
  680    H    LEU  90           HN       LEU  90  96.451   5.520   3.390
  681    HA   LEU  90           HA       LEU  90  94.805   7.552   4.674
  682   1HB   LEU  90          2HB       LEU  90  95.303   4.611   5.198
  683   2HB   LEU  90          3HB       LEU  90  94.252   5.578   6.233
  684    HG   LEU  90           HG       LEU  90  92.985   6.240   4.124
  685   1HD1  LEU  90          HD13      LEU  90  94.827   4.120   3.031
  686   2HD1  LEU  90          HD12      LEU  90  93.288   4.499   2.260
  687   3HD1  LEU  90          HD11      LEU  90  94.534   5.738   2.398
  688   1HD2  LEU  90          HD22      LEU  90  93.110   3.447   5.228
  689   2HD2  LEU  90          HD21      LEU  90  91.837   4.654   5.409
  690   3HD2  LEU  90          HD23      LEU  90  92.030   3.798   3.878
  691    H    VAL  91           HN       VAL  91  97.980   6.302   5.229
  692    HA   VAL  91           HA       VAL  91  98.508   6.301   7.898
  693    HB   VAL  91           HB       VAL  91 100.194   6.426   5.928
  694   1HG1  VAL  91          HG13      VAL  91  99.408   8.737   5.261
  695   2HG1  VAL  91          HG12      VAL  91 100.159   9.344   6.737
  696   3HG1  VAL  91          HG11      VAL  91 101.152   8.594   5.486
  697   1HG2  VAL  91          HG22      VAL  91 100.742   7.846   8.553
  698   2HG2  VAL  91          HG21      VAL  91 100.836   6.104   8.287
  699   3HG2  VAL  91          HG23      VAL  91 101.975   7.185   7.480
  700    H    GLN  92           HN       GLN  92  97.896   9.290   6.049
  701    HA   GLN  92           HA       GLN  92  98.316  11.191   8.040
  702   1HB   GLN  92          2HB       GLN  92  97.564  11.652   5.678
  703   2HB   GLN  92          3HB       GLN  92  95.930  11.193   6.166
  704   1HG   GLN  92          2HG       GLN  92  96.222  13.641   6.279
  705   2HG   GLN  92          3HG       GLN  92  95.948  12.965   7.890
  706   1HE2  GLN  92          HE22      GLN  92  99.912  13.678   7.158
  707   2HE2  GLN  92          HE21      GLN  92  99.006  12.745   6.068
  708    H    HIS  93           HN       HIS  93  95.360   9.250   7.545
  709    HA   HIS  93           HA       HIS  93  93.923  10.379   9.745
  710   1HB   HIS  93          2HB       HIS  93  92.911   8.929   7.968
  711   2HB   HIS  93          3HB       HIS  93  93.740   7.544   8.683
  712    HD1  HIS  93           HD1      HIS  93  91.381  10.323   9.823
  713    HD2  HIS  93           HD2      HIS  93  92.251   6.334  10.667
  714    HE1  HIS  93           HE1      HIS  93  89.709   9.582  11.574
  715    H    ASN  94           HN       ASN  94  94.171  10.037  11.926
  716    HA   ASN  94           HA       ASN  94  95.156   9.259  13.907
  717   1HB   ASN  94          2HB       ASN  94  95.052   6.676  12.323
  718   2HB   ASN  94          3HB       ASN  94  95.376   6.775  14.051
  719   1HD2  ASN  94          HD22      ASN  94  91.658   6.288  13.359
  720   2HD2  ASN  94          HD21      ASN  94  93.023   5.479  12.758
  721    H    ASP  95           HN       ASP  95  96.829   9.449  11.057
  722    HA   ASP  95           HA       ASP  95  99.123   9.469  10.533
  723   1HB   ASP  95          2HB       ASP  95  99.287   9.692  13.552
  724   2HB   ASP  95          3HB       ASP  95 100.656   9.914  12.463
  725    H    SER  96           HN       SER  96  97.731   6.814  11.223
  726    HA   SER  96           HA       SER  96 100.263   5.279  11.437
  727   1HB   SER  96          2HB       SER  96  97.856   4.890  13.227
  728   2HB   SER  96          3HB       SER  96  99.123   3.684  13.038
  729    HG   SER  96           HG       SER  96  99.723   4.921  14.754
  730    H    LEU  97           HN       LEU  97  97.770   5.860   9.547
  731    HA   LEU  97           HA       LEU  97  97.145   3.000   9.000
  732   1HB   LEU  97          2HB       LEU  97  95.862   5.599   8.168
  733   2HB   LEU  97          3HB       LEU  97  95.529   4.105   7.295
  734    HG   LEU  97           HG       LEU  97  95.057   3.094   9.643
  735   1HD1  LEU  97          HD11      LEU  97  95.983   5.195  10.771
  736   2HD1  LEU  97          HD13      LEU  97  94.494   5.992  10.276
  737   3HD1  LEU  97          HD12      LEU  97  94.436   4.611  11.369
  738   1HD2  LEU  97          HD21      LEU  97  93.373   3.648   7.821
  739   2HD2  LEU  97          HD23      LEU  97  92.735   3.689   9.466
  740   3HD2  LEU  97          HD22      LEU  97  93.123   5.194   8.632
  741    H    ASN  98           HN       ASN  98  99.443   2.836   8.291
  742    HA   ASN  98           HA       ASN  98 100.208   4.242   5.864
  743   1HB   ASN  98          2HB       ASN  98 101.778   3.443   7.672
  744   2HB   ASN  98          3HB       ASN  98 101.466   1.795   7.128
  745   1HD2  ASN  98          HD22      ASN  98 104.303   2.328   5.051
  746   2HD2  ASN  98          HD21      ASN  98 103.734   1.569   6.459
  747    H    VAL  99           HN       VAL  99  98.207   3.588   4.722
  748    HA   VAL  99           HA       VAL  99  98.679   1.123   3.175
  749    HB   VAL  99           HB       VAL  99  97.327   0.244   4.960
  750   1HG1  VAL  99          HG13      VAL  99  96.546   2.463   5.794
  751   2HG1  VAL  99          HG12      VAL  99  95.417   2.540   4.441
  752   3HG1  VAL  99          HG11      VAL  99  95.239   1.286   5.667
  753   1HG2  VAL  99          HG23      VAL  99  96.648  -0.071   2.423
  754   2HG2  VAL  99          HG22      VAL  99  95.594  -0.677   3.703
  755   3HG2  VAL  99          HG21      VAL  99  95.224   0.852   2.907
  756    H    THR 100           HN       THR 100  97.447   1.100   1.216
  757    HA   THR 100           HA       THR 100  96.095   3.681   0.527
  758    HB   THR 100           HB       THR 100  97.125   3.558  -1.706
  759    HG1  THR 100           HG1      THR 100  97.368   1.297  -1.764
  760   1HG2  THR 100          HG23      THR 100  98.748   3.716   0.771
  761   2HG2  THR 100          HG22      THR 100  99.654   3.543  -0.734
  762   3HG2  THR 100          HG21      THR 100  98.548   4.899  -0.521
  763    H    LEU 101           HN       LEU 101  94.127   3.362  -0.519
  764    HA   LEU 101           HA       LEU 101  93.145   0.627  -0.672
  765   1HB   LEU 101          2HB       LEU 101  91.932   3.162  -1.824
  766   2HB   LEU 101          3HB       LEU 101  91.090   1.638  -1.542
  767    HG   LEU 101           HG       LEU 101  92.337   3.417   0.578
  768   1HD1  LEU 101          HD11      LEU 101  89.954   3.782  -0.650
  769   2HD1  LEU 101          HD13      LEU 101  89.469   2.641   0.604
  770   3HD1  LEU 101          HD12      LEU 101  90.224   4.170   1.047
  771   1HD2  LEU 101          HD21      LEU 101  91.435   0.603   0.585
  772   2HD2  LEU 101          HD23      LEU 101  92.568   1.420   1.653
  773   3HD2  LEU 101          HD22      LEU 101  90.833   1.582   1.916
  774    H    ALA 102           HN       ALA 102  95.085   0.054  -2.043
  775    HA   ALA 102           HA       ALA 102  94.575   0.632  -4.928
  776   1HB   ALA 102           HB2      ALA 102  96.808   1.231  -3.573
  777   2HB   ALA 102           HB1      ALA 102  97.195  -0.433  -4.010
  778   3HB   ALA 102           HB3      ALA 102  96.841   0.749  -5.269
  779    H    TYR 103           HN       TYR 103  94.424  -1.909  -2.630
  780    HA   TYR 103           HA       TYR 103  94.782  -3.882  -4.858
  781   1HB   TYR 103          2HB       TYR 103  95.283  -4.246  -1.890
  782   2HB   TYR 103          3HB       TYR 103  95.366  -5.540  -3.086
  783    HD1  TYR 103           HD1      TYR 103  97.172  -5.609  -4.758
  784    HD2  TYR 103           HD2      TYR 103  96.984  -2.497  -1.798
  785    HE1  TYR 103           HE1      TYR 103  99.519  -4.978  -5.267
  786    HE2  TYR 103           HE2      TYR 103  99.328  -1.870  -2.306
  787    HH   TYR 103           HH       TYR 103 100.916  -2.733  -5.011
  788    HA   PRO 104           HA       PRO 104  90.320  -4.238  -3.874
  789   1HB   PRO 104          2HB       PRO 104  90.474  -6.020  -6.241
  790   2HB   PRO 104          3HB       PRO 104  89.387  -4.667  -5.918
  791   1HG   PRO 104          2HG       PRO 104  91.365  -4.484  -7.700
  792   2HG   PRO 104          3HG       PRO 104  90.872  -3.105  -6.706
  793   1HD   PRO 104          2HD       PRO 104  93.280  -4.865  -6.420
  794   2HD   PRO 104          3HD       PRO 104  93.106  -3.128  -6.090
  795    H    VAL 105           HN       VAL 105  89.274  -6.001  -2.847
  796    HA   VAL 105           HA       VAL 105  90.959  -8.154  -1.916
  797    HB   VAL 105           HB       VAL 105  88.822  -7.121  -0.836
  798   1HG1  VAL 105          HG12      VAL 105  87.415  -7.651  -2.864
  799   2HG1  VAL 105          HG11      VAL 105  87.587  -9.360  -2.470
  800   3HG1  VAL 105          HG13      VAL 105  86.750  -8.280  -1.357
  801   1HG2  VAL 105          HG22      VAL 105  89.990  -9.801  -0.738
  802   2HG2  VAL 105          HG21      VAL 105  89.494  -8.741   0.584
  803   3HG2  VAL 105          HG23      VAL 105  88.309  -9.781  -0.208
  804    H    TYR 106           HN       TYR 106  88.591  -7.814  -4.512
  805    HA   TYR 106           HA       TYR 106  89.088 -10.641  -5.302
  806   1HB   TYR 106          2HB       TYR 106  86.858  -8.738  -6.006
  807   2HB   TYR 106          3HB       TYR 106  87.096 -10.279  -6.825
  808    HD1  TYR 106           HD1      TYR 106  87.490 -12.338  -5.175
  809    HD2  TYR 106           HD2      TYR 106  85.459  -8.695  -4.143
  810    HE1  TYR 106           HE1      TYR 106  86.335 -13.507  -3.321
  811    HE2  TYR 106           HE2      TYR 106  84.307  -9.871  -2.285
  812    HH   TYR 106           HH       TYR 106  85.230 -12.497  -0.924
  813    H    ALA 107           HN       ALA 107  91.172  -8.866  -5.844
  814    HA   ALA 107           HA       ALA 107  90.861  -8.155  -8.714
  815   1HB   ALA 107           HB3      ALA 107  92.362  -7.079  -6.519
  816   2HB   ALA 107           HB2      ALA 107  93.492  -7.593  -7.771
  817   3HB   ALA 107           HB1      ALA 107  92.208  -6.447  -8.158
  818    H    GLN 108           HN       GLN 108  93.580  -9.549  -6.850
  819    HA   GLN 108           HA       GLN 108  94.669 -10.969  -9.065
  820   1HB   GLN 108          2HB       GLN 108  94.898 -11.449  -6.081
  821   2HB   GLN 108          3HB       GLN 108  95.825 -12.350  -7.278
  822   1HG   GLN 108          2HG       GLN 108  96.703 -10.159  -8.153
  823   2HG   GLN 108          3HG       GLN 108  95.892  -9.356  -6.804
  824   1HE2  GLN 108          HE22      GLN 108  98.739 -12.051  -5.583
  825   2HE2  GLN 108          HE21      GLN 108  97.555 -12.527  -6.702
  826    H    GLN 109           HN       GLN 109  92.369 -11.966  -6.545
  827    HA   GLN 109           HA       GLN 109  92.080 -14.604  -7.864
  828   1HB   GLN 109          2HB       GLN 109  90.930 -13.486  -5.289
  829   2HB   GLN 109          3HB       GLN 109  90.596 -15.106  -5.903
  830   1HG   GLN 109          2HG       GLN 109  92.401 -15.375  -4.364
  831   2HG   GLN 109          3HG       GLN 109  93.134 -15.447  -5.968
  832   1HE2  GLN 109          HE22      GLN 109  95.403 -13.048  -4.634
  833   2HE2  GLN 109          HE21      GLN 109  95.200 -14.681  -5.051
  834    H    ARG 110           HN       ARG 110  90.325 -15.111  -9.108
  835    HA   ARG 110           HA       ARG 110  88.125 -13.089  -9.253
  836   1HB   ARG 110          2HB       ARG 110  89.213 -14.907 -11.430
  837   2HB   ARG 110          3HB       ARG 110  87.812 -13.854 -11.610
  838   1HG   ARG 110          2HG       ARG 110  89.356 -11.929 -10.903
  839   2HG   ARG 110          3HG       ARG 110  90.694 -13.049 -11.168
  840   1HD   ARG 110          2HD       ARG 110  88.604 -12.339 -13.245
  841   2HD   ARG 110          3HD       ARG 110  90.222 -11.649 -13.174
  842    HE   ARG 110           HE       ARG 110  90.606 -14.421 -13.215
  843   1HH1  ARG 110          HH21      ARG 110  89.132 -11.987 -15.162
  844   2HH1  ARG 110          HH22      ARG 110  89.291 -12.883 -16.635
  845   1HH2  ARG 110          HH11      ARG 110  90.820 -15.603 -15.124
  846   2HH2  ARG 110          HH12      ARG 110  90.245 -14.930 -16.615
  847    H    ARG 111           HN       ARG 111  86.011 -13.897  -9.216
  848    HA   ARG 111           HA       ARG 111  85.288 -16.051  -7.704
  849   1HB   ARG 111          2HB       ARG 111  83.912 -15.032 -10.201
  850   2HB   ARG 111          3HB       ARG 111  83.167 -16.150  -9.059
  851   1HG   ARG 111          2HG       ARG 111  83.469 -14.516  -7.244
  852   2HG   ARG 111          3HG       ARG 111  84.270 -13.413  -8.352
  853   1HD   ARG 111          2HD       ARG 111  82.297 -12.607  -9.055
  854   2HD   ARG 111          3HD       ARG 111  81.735 -14.225  -9.470
  855    HE   ARG 111           HE       ARG 111  80.826 -12.693  -7.252
  856   1HH1  ARG 111          HH21      ARG 111  82.082 -15.817  -7.941
  857   2HH1  ARG 111          HH22      ARG 111  81.466 -16.536  -6.496
  858   1HH2  ARG 111          HH11      ARG 111  80.007 -13.607  -5.359
  859   2HH2  ARG 111          HH12      ARG 111  80.288 -15.285  -5.033
   
  No H/Q in entry =         859
  Start of MODEL   17
    1   1H    GLU   1           HT1      GLU   1  92.852  -1.059 -19.042
    2   2H    GLU   1           HT3      GLU   1  91.586  -0.966 -20.168
    3   3H    GLU   1           HT2      GLU   1  91.467  -0.142 -18.687
    4    HA   GLU   1           HA       GLU   1  90.317  -1.894 -17.973
    5   1HB   GLU   1          2HB       GLU   1  90.124  -2.655 -20.351
    6   2HB   GLU   1          3HB       GLU   1  91.628  -3.553 -20.147
    7   1HG   GLU   1          2HG       GLU   1  90.665  -5.004 -18.528
    8   2HG   GLU   1          3HG       GLU   1  89.263  -3.956 -18.309
    9    H    ASP   2           HN       ASP   2  93.527  -1.443 -17.853
   10    HA   ASP   2           HA       ASP   2  94.142  -3.973 -16.434
   11   1HB   ASP   2          2HB       ASP   2  95.770  -3.000 -18.115
   12   2HB   ASP   2          3HB       ASP   2  96.014  -1.662 -16.991
   13    H    LEU   3           HN       LEU   3  92.440  -1.604 -15.486
   14    HA   LEU   3           HA       LEU   3  93.934  -1.113 -12.935
   15   1HB   LEU   3          2HB       LEU   3  93.348   0.906 -14.347
   16   2HB   LEU   3          3HB       LEU   3  91.657   0.522 -14.051
   17    HG   LEU   3           HG       LEU   3  92.145   0.607 -11.585
   18   1HD1  LEU   3          HD12      LEU   3  94.805   1.404 -12.716
   19   2HD1  LEU   3          HD11      LEU   3  94.269   2.133 -11.202
   20   3HD1  LEU   3          HD13      LEU   3  94.448   0.383 -11.326
   21   1HD2  LEU   3          HD21      LEU   3  91.106   2.489 -12.851
   22   2HD2  LEU   3          HD23      LEU   3  92.097   3.057 -11.510
   23   3HD2  LEU   3          HD22      LEU   3  92.717   3.140 -13.158
   24    HA   PRO   4           HA       PRO   4  90.720  -3.903 -11.358
   25   1HB   PRO   4          2HB       PRO   4  91.687  -2.934  -8.738
   26   2HB   PRO   4          3HB       PRO   4  91.577  -4.592  -9.356
   27   1HG   PRO   4          2HG       PRO   4  93.911  -3.251  -9.068
   28   2HG   PRO   4          3HG       PRO   4  93.652  -4.528 -10.266
   29   1HD   PRO   4          2HD       PRO   4  93.877  -1.602 -10.663
   30   2HD   PRO   4          3HD       PRO   4  94.193  -2.929 -11.803
   31    H    HIS   5           HN       HIS   5  90.976  -0.536 -11.131
   32    HA   HIS   5           HA       HIS   5  88.661  -0.215  -9.335
   33   1HB   HIS   5          2HB       HIS   5  90.285   1.829 -10.874
   34   2HB   HIS   5          3HB       HIS   5  89.029   2.206  -9.693
   35    HD1  HIS   5           HD1      HIS   5  89.539   0.544  -7.345
   36    HD2  HIS   5           HD2      HIS   5  92.726   2.017  -9.595
   37    HE1  HIS   5           HE1      HIS   5  91.576   0.471  -5.839
   38    H    HIS   6           HN       HIS   6  89.145  -0.685 -12.698
   39    HA   HIS   6           HA       HIS   6  87.036   0.928 -13.758
   40   1HB   HIS   6          2HB       HIS   6  88.209  -1.711 -14.660
   41   2HB   HIS   6          3HB       HIS   6  86.930  -0.899 -15.559
   42    HD1  HIS   6           HD1      HIS   6  87.584   1.805 -16.047
   43    HD2  HIS   6           HD2      HIS   6  90.702  -0.910 -15.503
   44    HE1  HIS   6           HE1      HIS   6  89.653   2.876 -17.052
   45    H    ASP   7           HN       ASP   7  87.027  -2.331 -12.340
   46    HA   ASP   7           HA       ASP   7  84.052  -2.298 -12.442
   47   1HB   ASP   7          2HB       ASP   7  86.010  -4.587 -12.134
   48   2HB   ASP   7          3HB       ASP   7  84.258  -4.767 -12.036
   49    H    GLU   8           HN       GLU   8  82.968  -2.105 -10.504
   50    HA   GLU   8           HA       GLU   8  84.513  -1.703  -8.099
   51   1HB   GLU   8          2HB       GLU   8  82.507  -1.074  -7.045
   52   2HB   GLU   8          3HB       GLU   8  82.319  -0.547  -8.712
   53   1HG   GLU   8          2HG       GLU   8  81.276  -3.196  -7.686
   54   2HG   GLU   8          3HG       GLU   8  80.312  -1.728  -7.756
   55    H    LYS   9           HN       LYS   9  83.485  -4.476  -9.608
   56    HA   LYS   9           HA       LYS   9  82.676  -6.148  -7.449
   57   1HB   LYS   9          2HB       LYS   9  83.226  -7.980  -8.899
   58   2HB   LYS   9          3HB       LYS   9  82.671  -6.674  -9.954
   59   1HG   LYS   9          2HG       LYS   9  85.108  -5.957 -10.138
   60   2HG   LYS   9          3HG       LYS   9  85.528  -7.483  -9.364
   61   1HD   LYS   9          2HD       LYS   9  84.714  -8.761 -11.168
   62   2HD   LYS   9          3HD       LYS   9  83.769  -7.416 -11.810
   63   1HE   LYS   9          2HE       LYS   9  85.535  -6.561 -12.934
   64   2HE   LYS   9          3HE       LYS   9  86.640  -6.822 -11.583
   65   1HZ   LYS   9           HZ3      LYS   9  85.647  -9.075 -13.220
   66   2HZ   LYS   9           HZ2      LYS   9  86.997  -8.166 -13.710
   67   3HZ   LYS   9           HZ1      LYS   9  87.025  -9.008 -12.235
   68    H    THR  10           HN       THR  10  85.892  -5.216  -8.609
   69    HA   THR  10           HA       THR  10  87.398  -7.085  -7.077
   70    HB   THR  10           HB       THR  10  89.267  -5.437  -7.374
   71    HG1  THR  10           HG1      THR  10  87.105  -3.858  -7.894
   72   1HG2  THR  10          HG23      THR  10  87.909  -6.996  -9.246
   73   2HG2  THR  10          HG22      THR  10  88.124  -5.445 -10.055
   74   3HG2  THR  10          HG21      THR  10  89.526  -6.315  -9.435
   75    H    TRP  11           HN       TRP  11  85.970  -3.994  -6.168
   76    HA   TRP  11           HA       TRP  11  86.997  -4.490  -3.409
   77   1HB   TRP  11          2HB       TRP  11  86.388  -1.835  -3.394
   78   2HB   TRP  11          3HB       TRP  11  87.997  -2.479  -3.692
   79    HD1  TRP  11           HD1      TRP  11  88.563  -2.952  -6.359
   80    HE1  TRP  11           HE1      TRP  11  87.918  -1.583  -8.433
   81    HE3  TRP  11           HE3      TRP  11  84.746  -0.218  -4.396
   82    HZ2  TRP  11           HZ2      TRP  11  86.034   0.470  -9.146
   83    HZ3  TRP  11           HZ3      TRP  11  83.541   1.443  -5.788
   84    HH2  TRP  11           HH2      TRP  11  84.178   1.786  -8.157
   85    H    ASN  12           HN       ASN  12  84.226  -4.191  -5.364
   86    HA   ASN  12           HA       ASN  12  82.481  -3.273  -3.174
   87   1HB   ASN  12          2HB       ASN  12  82.138  -2.630  -5.572
   88   2HB   ASN  12          3HB       ASN  12  81.718  -4.309  -5.904
   89   1HD2  ASN  12          HD22      ASN  12  78.400  -3.147  -5.272
   90   2HD2  ASN  12          HD21      ASN  12  79.516  -3.499  -6.502
   91    H    VAL  13           HN       VAL  13  81.809  -4.702  -1.661
   92    HA   VAL  13           HA       VAL  13  80.888  -7.372  -2.568
   93    HB   VAL  13           HB       VAL  13  83.249  -7.515  -1.670
   94   1HG1  VAL  13          HG13      VAL  13  82.980  -5.816   0.113
   95   2HG1  VAL  13          HG12      VAL  13  81.863  -6.890   0.952
   96   3HG1  VAL  13          HG11      VAL  13  83.550  -7.353   0.756
   97   1HG2  VAL  13          HG23      VAL  13  80.978  -8.990  -0.321
   98   2HG2  VAL  13          HG22      VAL  13  81.909  -9.509  -1.717
   99   3HG2  VAL  13          HG21      VAL  13  82.665  -9.453  -0.125
  100    H    GLY  14           HN       GLY  14  79.549  -4.899  -1.794
  101   1HA   GLY  14          2HA       GLY  14  78.569  -4.659   0.765
  102   2HA   GLY  14          3HA       GLY  14  77.539  -4.440  -0.648
  103    H    SER  15           HN       SER  15  78.087  -7.378  -1.359
  104    HA   SER  15           HA       SER  15  75.730  -8.455  -0.096
  105   1HB   SER  15          2HB       SER  15  77.953  -9.784  -1.663
  106   2HB   SER  15          3HB       SER  15  76.504 -10.627  -1.118
  107    HG   SER  15           HG       SER  15  75.270  -9.244  -2.367
  108    H    SER  16           HN       SER  16  79.193  -8.806   0.536
  109    HA   SER  16           HA       SER  16  78.961 -10.940   2.432
  110   1HB   SER  16          2HB       SER  16  81.106 -10.319   1.406
  111   2HB   SER  16          3HB       SER  16  81.053  -8.752   2.210
  112    HG   SER  16           HG       SER  16  82.037  -9.783   3.758
  113    H    ASN  17           HN       ASN  17  78.866 -10.880   4.707
  114    HA   ASN  17           HA       ASN  17  77.525  -8.505   5.816
  115   1HB   ASN  17          2HB       ASN  17  78.203 -11.193   7.052
  116   2HB   ASN  17          3HB       ASN  17  77.272  -9.925   7.850
  117   1HD2  ASN  17          HD22      ASN  17  75.331 -12.442   5.460
  118   2HD2  ASN  17          HD21      ASN  17  76.866 -12.742   6.117
  119    H    ARG  18           HN       ARG  18  78.325  -7.630   7.949
  120    HA   ARG  18           HA       ARG  18  81.030  -6.785   7.738
  121   1HB   ARG  18          2HB       ARG  18  79.123  -6.825  10.093
  122   2HB   ARG  18          3HB       ARG  18  80.715  -6.065  10.152
  123   1HG   ARG  18          2HG       ARG  18  80.111  -4.600   8.272
  124   2HG   ARG  18          3HG       ARG  18  78.528  -5.374   8.162
  125   1HD   ARG  18          2HD       ARG  18  78.321  -3.294   9.428
  126   2HD   ARG  18          3HD       ARG  18  78.052  -4.664  10.505
  127    HE   ARG  18           HE       ARG  18  80.768  -4.149  10.737
  128   1HH1  ARG  18          HH21      ARG  18  77.847  -2.332  11.028
  129   2HH1  ARG  18          HH22      ARG  18  78.478  -1.264  12.235
  130   1HH2  ARG  18          HH11      ARG  18  81.607  -2.769  12.302
  131   2HH2  ARG  18          HH12      ARG  18  80.617  -1.506  12.953
  132    H    ASN  19           HN       ASN  19  79.578  -9.424   9.660
  133    HA   ASN  19           HA       ASN  19  81.933 -10.128  11.100
  134   1HB   ASN  19          2HB       ASN  19  79.498 -11.683  10.239
  135   2HB   ASN  19          3HB       ASN  19  80.822 -12.471  11.100
  136   1HD2  ASN  19          HD22      ASN  19  80.261 -10.598  14.140
  137   2HD2  ASN  19          HD21      ASN  19  81.500 -11.307  13.220
  138    H    LYS  20           HN       LYS  20  80.747 -11.203   7.912
  139    HA   LYS  20           HA       LYS  20  82.907 -13.038   7.429
  140   1HB   LYS  20          2HB       LYS  20  80.804 -13.014   6.087
  141   2HB   LYS  20          3HB       LYS  20  81.294 -11.469   5.388
  142   1HG   LYS  20          2HG       LYS  20  83.298 -12.483   4.448
  143   2HG   LYS  20          3HG       LYS  20  82.925 -14.020   5.227
  144   1HD   LYS  20          2HD       LYS  20  80.710 -13.952   3.933
  145   2HD   LYS  20          3HD       LYS  20  81.436 -12.658   2.979
  146   1HE   LYS  20          2HE       LYS  20  82.201 -15.552   3.136
  147   2HE   LYS  20          3HE       LYS  20  82.051 -14.510   1.720
  148   1HZ   LYS  20           HZ2      LYS  20  84.014 -13.274   2.558
  149   2HZ   LYS  20           HZ1      LYS  20  84.201 -14.457   3.763
  150   3HZ   LYS  20           HZ3      LYS  20  84.352 -14.885   2.131
  151    H    ALA  21           HN       ALA  21  82.546  -9.578   7.152
  152    HA   ALA  21           HA       ALA  21  84.731  -9.000   5.435
  153   1HB   ALA  21           HB1      ALA  21  82.901  -7.494   6.844
  154   2HB   ALA  21           HB3      ALA  21  84.402  -7.134   7.696
  155   3HB   ALA  21           HB2      ALA  21  84.277  -6.831   5.965
  156    H    GLU  22           HN       GLU  22  84.624  -9.538   8.959
  157    HA   GLU  22           HA       GLU  22  87.380  -8.976   9.460
  158   1HB   GLU  22          2HB       GLU  22  85.433 -10.843  10.851
  159   2HB   GLU  22          3HB       GLU  22  87.056 -10.500  11.453
  160   1HG   GLU  22          2HG       GLU  22  86.543  -8.126  11.631
  161   2HG   GLU  22          3HG       GLU  22  84.955  -8.383  10.903
  162    H    ASN  23           HN       ASN  23  85.700 -12.000   8.603
  163    HA   ASN  23           HA       ASN  23  87.989 -13.685   8.617
  164   1HB   ASN  23          2HB       ASN  23  85.454 -13.802   6.951
  165   2HB   ASN  23          3HB       ASN  23  86.660 -15.088   6.995
  166   1HD2  ASN  23          HD22      ASN  23  85.671 -14.854  10.813
  167   2HD2  ASN  23          HD21      ASN  23  86.847 -13.904  10.041
  168    H    LEU  24           HN       LEU  24  86.462 -11.751   6.053
  169    HA   LEU  24           HA       LEU  24  88.352 -12.381   4.000
  170   1HB   LEU  24          2HB       LEU  24  86.553  -9.985   4.449
  171   2HB   LEU  24          3HB       LEU  24  87.559 -10.168   3.012
  172    HG   LEU  24           HG       LEU  24  85.539 -12.236   3.926
  173   1HD1  LEU  24          HD13      LEU  24  85.231  -9.724   2.431
  174   2HD1  LEU  24          HD12      LEU  24  84.613 -11.132   1.566
  175   3HD1  LEU  24          HD11      LEU  24  84.000 -10.746   3.173
  176   1HD2  LEU  24          HD21      LEU  24  87.562 -12.032   1.790
  177   2HD2  LEU  24          HD23      LEU  24  86.779 -13.464   2.460
  178   3HD2  LEU  24          HD22      LEU  24  85.965 -12.511   1.220
  179    H    LEU  25           HN       LEU  25  88.248  -9.834   6.484
  180    HA   LEU  25           HA       LEU  25  90.672  -8.536   5.531
  181   1HB   LEU  25          2HB       LEU  25  89.171  -8.428   8.157
  182   2HB   LEU  25          3HB       LEU  25  90.632  -7.493   7.860
  183    HG   LEU  25           HG       LEU  25  88.578  -7.309   5.735
  184   1HD1  LEU  25          HD13      LEU  25  87.455  -7.218   8.166
  185   2HD1  LEU  25          HD12      LEU  25  88.088  -5.575   8.121
  186   3HD1  LEU  25          HD11      LEU  25  86.966  -6.127   6.880
  187   1HD2  LEU  25          HD22      LEU  25  90.388  -5.384   7.230
  188   2HD2  LEU  25          HD21      LEU  25  90.575  -5.971   5.576
  189   3HD2  LEU  25          HD23      LEU  25  89.257  -4.871   5.977
  190    H    ARG  26           HN       ARG  26  89.891 -11.117   7.761
  191    HA   ARG  26           HA       ARG  26  92.459 -11.325   9.024
  192   1HB   ARG  26          2HB       ARG  26  89.990 -12.965   8.763
  193   2HB   ARG  26          3HB       ARG  26  91.464 -13.820   9.223
  194   1HG   ARG  26          2HG       ARG  26  89.876 -12.751  11.049
  195   2HG   ARG  26          3HG       ARG  26  91.621 -12.722  11.250
  196   1HD   ARG  26          2HD       ARG  26  90.409 -10.438   9.786
  197   2HD   ARG  26          3HD       ARG  26  90.071 -10.526  11.503
  198    HE   ARG  26           HE       ARG  26  92.517  -9.659  10.299
  199   1HH1  ARG  26          HH21      ARG  26  91.395 -11.742  12.814
  200   2HH1  ARG  26          HH22      ARG  26  92.906 -11.732  13.659
  201   1HH2  ARG  26          HH11      ARG  26  94.474  -9.640  11.384
  202   2HH2  ARG  26          HH12      ARG  26  94.646 -10.543  12.853
  203    H    GLY  27           HN       GLY  27  94.310 -12.287   8.287
  204   1HA   GLY  27          2HA       GLY  27  95.661 -13.739   6.986
  205   2HA   GLY  27          3HA       GLY  27  94.205 -14.317   6.176
  206    H    LYS  28           HN       LYS  28  94.297 -10.933   6.245
  207    HA   LYS  28           HA       LYS  28  95.266 -10.911   3.423
  208   1HB   LYS  28          2HB       LYS  28  93.368  -9.059   4.892
  209   2HB   LYS  28          3HB       LYS  28  94.009  -8.717   3.286
  210   1HG   LYS  28          2HG       LYS  28  92.402 -11.177   4.042
  211   2HG   LYS  28          3HG       LYS  28  91.790  -9.780   3.154
  212   1HD   LYS  28          2HD       LYS  28  93.873 -10.303   1.587
  213   2HD   LYS  28          3HD       LYS  28  93.662 -11.925   2.247
  214   1HE   LYS  28          2HE       LYS  28  91.305 -11.920   1.548
  215   2HE   LYS  28          3HE       LYS  28  91.489 -10.287   0.912
  216   1HZ   LYS  28           HZ1      LYS  28  93.379 -11.298  -0.455
  217   2HZ   LYS  28           HZ3      LYS  28  92.677 -12.796  -0.084
  218   3HZ   LYS  28           HZ2      LYS  28  91.782 -11.628  -0.934
  219    H    ARG  29           HN       ARG  29  97.035  -9.692   2.953
  220    HA   ARG  29           HA       ARG  29  98.534  -8.493   5.133
  221   1HB   ARG  29          2HB       ARG  29 100.206  -7.969   3.442
  222   2HB   ARG  29          3HB       ARG  29  99.629  -9.614   3.184
  223   1HG   ARG  29          2HG       ARG  29  98.014  -8.705   1.486
  224   2HG   ARG  29          3HG       ARG  29  98.792  -7.132   1.663
  225   1HD   ARG  29          2HD       ARG  29  99.782  -8.297  -0.241
  226   2HD   ARG  29          3HD       ARG  29 100.972  -8.195   1.061
  227    HE   ARG  29           HE       ARG  29  99.774 -10.628   1.521
  228   1HH1  ARG  29          HH21      ARG  29 101.162  -9.041  -1.203
  229   2HH1  ARG  29          HH22      ARG  29 101.739 -10.504  -1.928
  230   1HH2  ARG  29          HH11      ARG  29 100.518 -12.544   0.592
  231   2HH2  ARG  29          HH12      ARG  29 101.372 -12.495  -0.915
  232    H    ASP  30           HN       ASP  30  99.393  -6.201   4.846
  233    HA   ASP  30           HA       ASP  30  97.263  -4.334   4.948
  234   1HB   ASP  30          2HB       ASP  30  99.571  -4.064   5.927
  235   2HB   ASP  30          3HB       ASP  30 100.157  -3.721   4.299
  236    H    GLY  31           HN       GLY  31  96.375  -2.947   3.431
  237   1HA   GLY  31          2HA       GLY  31  96.531  -1.746   1.265
  238   2HA   GLY  31          3HA       GLY  31  97.448  -3.121   0.639
  239    H    THR  32           HN       THR  32  95.580  -5.023   2.033
  240    HA   THR  32           HA       THR  32  93.745  -5.441  -0.136
  241    HB   THR  32           HB       THR  32  93.581  -6.455   2.725
  242    HG1  THR  32           HG1      THR  32  95.353  -6.910   0.827
  243   1HG2  THR  32          HG21      THR  32  91.660  -6.609   0.789
  244   2HG2  THR  32          HG23      THR  32  92.575  -8.087   0.488
  245   3HG2  THR  32          HG22      THR  32  91.869  -7.795   2.078
  246    H    PHE  33           HN       PHE  33  91.932  -4.233  -0.538
  247    HA   PHE  33           HA       PHE  33  90.505  -3.077   1.807
  248   1HB   PHE  33          2HB       PHE  33  91.329  -1.053   1.226
  249   2HB   PHE  33          3HB       PHE  33  91.980  -1.681  -0.277
  250    HD1  PHE  33           HD1      PHE  33  90.704  -1.649  -2.326
  251    HD2  PHE  33           HD2      PHE  33  89.061  -0.081   1.318
  252    HE1  PHE  33           HE1      PHE  33  88.900  -0.529  -3.593
  253    HE2  PHE  33           HE2      PHE  33  87.258   1.024   0.004
  254    HZ   PHE  33           HZ       PHE  33  87.194   0.773  -2.437
  255    H    LEU  34           HN       LEU  34  88.277  -2.881   1.574
  256    HA   LEU  34           HA       LEU  34  87.077  -3.522  -1.064
  257   1HB   LEU  34          2HB       LEU  34  85.495  -5.117   0.024
  258   2HB   LEU  34          3HB       LEU  34  87.157  -5.679   0.033
  259    HG   LEU  34           HG       LEU  34  86.249  -4.070   2.366
  260   1HD1  LEU  34          HD11      LEU  34  85.436  -6.936   1.800
  261   2HD1  LEU  34          HD13      LEU  34  85.422  -6.228   3.414
  262   3HD1  LEU  34          HD12      LEU  34  84.376  -5.573   2.157
  263   1HD2  LEU  34          HD21      LEU  34  88.566  -5.288   1.733
  264   2HD2  LEU  34          HD23      LEU  34  88.019  -5.126   3.401
  265   3HD2  LEU  34          HD22      LEU  34  87.758  -6.637   2.530
  266    H    VAL  35           HN       VAL  35  84.810  -2.923  -1.175
  267    HA   VAL  35           HA       VAL  35  84.135  -0.744   0.738
  268    HB   VAL  35           HB       VAL  35  83.154  -1.311  -2.090
  269   1HG1  VAL  35          HG12      VAL  35  82.008   0.270   0.044
  270   2HG1  VAL  35          HG11      VAL  35  82.514   1.321  -1.280
  271   3HG1  VAL  35          HG13      VAL  35  81.388  -0.006  -1.584
  272   1HG2  VAL  35          HG22      VAL  35  85.054   0.707  -0.873
  273   2HG2  VAL  35          HG21      VAL  35  85.371  -0.429  -2.173
  274   3HG2  VAL  35          HG23      VAL  35  84.315   0.952  -2.452
  275    H    ARG  36           HN       ARG  36  82.174  -0.911   1.925
  276    HA   ARG  36           HA       ARG  36  80.351  -3.180   1.298
  277   1HB   ARG  36          2HB       ARG  36  82.140  -4.051   2.810
  278   2HB   ARG  36          3HB       ARG  36  81.735  -2.804   3.987
  279   1HG   ARG  36          2HG       ARG  36  80.541  -4.672   4.780
  280   2HG   ARG  36          3HG       ARG  36  79.327  -3.808   3.857
  281   1HD   ARG  36          2HD       ARG  36  79.014  -5.666   2.648
  282   2HD   ARG  36          3HD       ARG  36  80.615  -5.418   1.968
  283    HE   ARG  36           HE       ARG  36  79.968  -7.647   3.453
  284   1HH1  ARG  36          HH21      ARG  36  82.070  -4.966   4.102
  285   2HH1  ARG  36          HH22      ARG  36  83.197  -5.921   4.993
  286   1HH2  ARG  36          HH11      ARG  36  81.433  -8.865   4.615
  287   2HH2  ARG  36          HH12      ARG  36  82.842  -8.114   5.285
  288    H    GLU  37           HN       GLU  37  78.307  -2.988   2.710
  289    HA   GLU  37           HA       GLU  37  77.661  -0.129   2.980
  290   1HB   GLU  37          2HB       GLU  37  75.958  -2.604   3.433
  291   2HB   GLU  37          3HB       GLU  37  75.366  -0.944   3.347
  292   1HG   GLU  37          2HG       GLU  37  76.879  -2.286   1.095
  293   2HG   GLU  37          3HG       GLU  37  75.120  -2.262   1.200
  294    H    SER  38           HN       SER  38  76.374   0.443   5.079
  295    HA   SER  38           HA       SER  38  78.028  -0.365   7.366
  296   1HB   SER  38          2HB       SER  38  76.570   1.137   8.653
  297   2HB   SER  38          3HB       SER  38  77.095   1.937   7.176
  298    HG   SER  38           HG       SER  38  74.705   1.834   7.881
  299    H    SER  39           HN       SER  39  76.101  -1.950   5.613
  300    HA   SER  39           HA       SER  39  75.187  -4.079   6.025
  301   1HB   SER  39          2HB       SER  39  76.130  -3.688   8.469
  302   2HB   SER  39          3HB       SER  39  74.452  -3.297   8.839
  303    HG   SER  39           HG       SER  39  75.303  -5.620   8.912
  304    H    LYS  40           HN       LYS  40  72.892  -3.689   8.268
  305    HA   LYS  40           HA       LYS  40  70.908  -2.829   6.253
  306   1HB   LYS  40          2HB       LYS  40  70.650  -4.019   9.031
  307   2HB   LYS  40          3HB       LYS  40  69.263  -3.518   8.063
  308   1HG   LYS  40          2HG       LYS  40  70.082  -5.039   6.228
  309   2HG   LYS  40          3HG       LYS  40  71.312  -5.636   7.343
  310   1HD   LYS  40          2HD       LYS  40  69.621  -6.438   8.882
  311   2HD   LYS  40          3HD       LYS  40  68.338  -5.691   7.930
  312   1HE   LYS  40          2HE       LYS  40  69.134  -7.164   5.986
  313   2HE   LYS  40          3HE       LYS  40  70.069  -8.056   7.187
  314   1HZ   LYS  40           HZ2      LYS  40  67.987  -8.369   8.444
  315   2HZ   LYS  40           HZ1      LYS  40  67.130  -7.644   7.171
  316   3HZ   LYS  40           HZ3      LYS  40  67.950  -9.105   6.913
  317    H    GLN  41           HN       GLN  41  72.844  -1.231   8.374
  318    HA   GLN  41           HA       GLN  41  70.982   0.531   9.703
  319   1HB   GLN  41          2HB       GLN  41  73.916   0.857   9.024
  320   2HB   GLN  41          3HB       GLN  41  73.005   1.973  10.042
  321   1HG   GLN  41          2HG       GLN  41  73.382  -0.990  10.572
  322   2HG   GLN  41          3HG       GLN  41  74.209   0.318  11.420
  323   1HE2  GLN  41          HE22      GLN  41  70.571  -0.777  12.675
  324   2HE2  GLN  41          HE21      GLN  41  71.506  -1.700  11.600
  325    H    GLY  42           HN       GLY  42  72.500   0.575   6.521
  326   1HA   GLY  42          2HA       GLY  42  71.395   1.812   4.712
  327   2HA   GLY  42          3HA       GLY  42  70.873   2.998   5.905
  328    H    CYS  43           HN       CYS  43  73.811   2.573   6.997
  329    HA   CYS  43           HA       CYS  43  74.907   4.809   5.403
  330   1HB   CYS  43          2HB       CYS  43  75.807   3.479   7.968
  331   2HB   CYS  43          3HB       CYS  43  76.724   4.753   7.165
  332    HG   CYS  43           HG       CYS  43  74.572   6.309   7.468
  333    H    TYR  44           HN       TYR  44  77.179   4.674   4.615
  334    HA   TYR  44           HA       TYR  44  77.717   1.935   3.575
  335   1HB   TYR  44          2HB       TYR  44  78.619   4.662   2.614
  336   2HB   TYR  44          3HB       TYR  44  79.046   3.134   1.839
  337    HD1  TYR  44           HD1      TYR  44  77.329   1.782   0.707
  338    HD2  TYR  44           HD2      TYR  44  76.386   5.572   2.490
  339    HE1  TYR  44           HE1      TYR  44  75.171   1.819  -0.516
  340    HE2  TYR  44           HE2      TYR  44  74.229   5.612   1.269
  341    HH   TYR  44           HH       TYR  44  73.512   3.410  -1.269
  342    H    ALA  45           HN       ALA  45  80.003   1.186   3.504
  343    HA   ALA  45           HA       ALA  45  82.017   2.684   4.981
  344   1HB   ALA  45           HB2      ALA  45  80.834   0.187   6.231
  345   2HB   ALA  45           HB1      ALA  45  82.290   1.006   6.796
  346   3HB   ALA  45           HB3      ALA  45  80.729   1.823   6.881
  347    H    CYS  46           HN       CYS  46  84.094   1.855   4.561
  348    HA   CYS  46           HA       CYS  46  84.146  -0.597   2.857
  349   1HB   CYS  46          2HB       CYS  46  86.101   1.737   2.812
  350   2HB   CYS  46          3HB       CYS  46  86.119   0.347   1.718
  351    HG   CYS  46           HG       CYS  46  83.808   1.174   0.758
  352    H    SER  47           HN       SER  47  85.709  -2.157   3.387
  353    HA   SER  47           HA       SER  47  87.051  -1.657   6.004
  354   1HB   SER  47          2HB       SER  47  86.890  -4.046   6.414
  355   2HB   SER  47          3HB       SER  47  85.299  -3.403   6.027
  356    HG   SER  47           HG       SER  47  85.317  -4.893   4.542
  357    H    VAL  48           HN       VAL  48  89.200  -2.221   6.283
  358    HA   VAL  48           HA       VAL  48  90.655  -3.504   4.057
  359    HB   VAL  48           HB       VAL  48  90.858  -1.324   3.250
  360   1HG1  VAL  48          HG11      VAL  48  90.532  -0.634   6.080
  361   2HG1  VAL  48          HG13      VAL  48  91.680   0.399   5.230
  362   3HG1  VAL  48          HG12      VAL  48  90.022   0.254   4.645
  363   1HG2  VAL  48          HG21      VAL  48  93.094  -2.510   3.878
  364   2HG2  VAL  48          HG23      VAL  48  93.144  -0.802   3.451
  365   3HG2  VAL  48          HG22      VAL  48  93.195  -1.290   5.144
  366    H    VAL  49           HN       VAL  49  92.864  -4.041   4.675
  367    HA   VAL  49           HA       VAL  49  93.171  -4.375   7.624
  368    HB   VAL  49           HB       VAL  49  94.560  -5.667   5.265
  369   1HG1  VAL  49          HG12      VAL  49  95.312  -5.448   8.117
  370   2HG1  VAL  49          HG11      VAL  49  95.393  -7.075   7.439
  371   3HG1  VAL  49          HG13      VAL  49  96.323  -5.767   6.707
  372   1HG2  VAL  49          HG21      VAL  49  92.416  -6.439   7.171
  373   2HG2  VAL  49          HG23      VAL  49  92.644  -6.918   5.489
  374   3HG2  VAL  49          HG22      VAL  49  93.591  -7.687   6.764
  375    H    VAL  50           HN       VAL  50  95.009  -3.457   8.691
  376    HA   VAL  50           HA       VAL  50  97.071  -2.211   7.007
  377    HB   VAL  50           HB       VAL  50  95.272  -0.520   7.070
  378   1HG1  VAL  50          HG11      VAL  50  95.353  -1.185   9.909
  379   2HG1  VAL  50          HG13      VAL  50  95.298   0.543   9.559
  380   3HG1  VAL  50          HG12      VAL  50  94.056  -0.533   8.912
  381   1HG2  VAL  50          HG22      VAL  50  97.746   0.061   7.058
  382   2HG2  VAL  50          HG21      VAL  50  96.693   1.323   7.695
  383   3HG2  VAL  50          HG23      VAL  50  97.613   0.302   8.800
  384    H    ASP  51           HN       ASP  51  98.923  -1.608   8.119
  385    HA   ASP  51           HA       ASP  51 100.581  -2.135   9.718
  386   1HB   ASP  51          2HB       ASP  51  99.660   0.099  10.263
  387   2HB   ASP  51          3HB       ASP  51  98.517  -0.658  11.371
  388    H    GLY  52           HN       GLY  52  98.657  -4.379   9.530
  389   1HA   GLY  52          2HA       GLY  52  98.575  -6.405  10.766
  390   2HA   GLY  52          3HA       GLY  52  99.370  -5.571  12.096
  391    H    GLU  53           HN       GLU  53  96.765  -3.708  11.174
  392    HA   GLU  53           HA       GLU  53  94.978  -5.107  13.118
  393   1HB   GLU  53          2HB       GLU  53  95.630  -2.163  12.920
  394   2HB   GLU  53          3HB       GLU  53  94.229  -2.770  13.802
  395   1HG   GLU  53          2HG       GLU  53  95.670  -4.115  15.243
  396   2HG   GLU  53          3HG       GLU  53  97.092  -3.624  14.321
  397    H    VAL  54           HN       VAL  54  92.906  -5.340  12.472
  398    HA   VAL  54           HA       VAL  54  92.183  -4.530   9.754
  399    HB   VAL  54           HB       VAL  54  90.699  -6.045  11.919
  400   1HG1  VAL  54          HG13      VAL  54  89.785  -4.860   9.388
  401   2HG1  VAL  54          HG12      VAL  54  89.440  -6.585   9.527
  402   3HG1  VAL  54          HG11      VAL  54  88.844  -5.462  10.750
  403   1HG2  VAL  54          HG22      VAL  54  92.111  -6.830   9.353
  404   2HG2  VAL  54          HG21      VAL  54  92.525  -7.320  10.997
  405   3HG2  VAL  54          HG23      VAL  54  91.046  -7.919  10.244
  406    H    LYS  55           HN       LYS  55  91.033  -2.739   9.242
  407    HA   LYS  55           HA       LYS  55  89.499  -1.389  11.427
  408   1HB   LYS  55          2HB       LYS  55  91.449  -0.175   9.467
  409   2HB   LYS  55          3HB       LYS  55  90.205   0.795  10.258
  410   1HG   LYS  55          2HG       LYS  55  91.485   0.933  12.093
  411   2HG   LYS  55          3HG       LYS  55  91.450  -0.819  12.251
  412   1HD   LYS  55          2HD       LYS  55  93.373  -1.054  10.848
  413   2HD   LYS  55          3HD       LYS  55  93.337   0.671  10.452
  414   1HE   LYS  55          2HE       LYS  55  93.587   1.091  12.962
  415   2HE   LYS  55          3HE       LYS  55  94.016  -0.614  13.093
  416   1HZ   LYS  55           HZ2      LYS  55  95.363   1.154  11.151
  417   2HZ   LYS  55           HZ1      LYS  55  95.885   1.067  12.766
  418   3HZ   LYS  55           HZ3      LYS  55  95.898  -0.324  11.797
  419    H    HIS  56           HN       HIS  56  87.601  -0.310  10.760
  420    HA   HIS  56           HA       HIS  56  86.709  -1.054   8.017
  421   1HB   HIS  56          2HB       HIS  56  85.135  -0.425  10.523
  422   2HB   HIS  56          3HB       HIS  56  84.399  -0.670   8.940
  423    HD1  HIS  56           HD1      HIS  56  86.205  -3.049   7.995
  424    HD2  HIS  56           HD2      HIS  56  84.341  -2.831  11.716
  425    HE1  HIS  56           HE1      HIS  56  85.969  -5.434   8.820
  426    H    CYS  57           HN       CYS  57  87.104   0.686   6.675
  427    HA   CYS  57           HA       CYS  57  87.062   3.432   7.609
  428   1HB   CYS  57          2HB       CYS  57  88.348   2.744   5.601
  429   2HB   CYS  57          3HB       CYS  57  86.843   2.343   4.778
  430    HG   CYS  57           HG       CYS  57  87.648   5.256   5.598
  431    H    VAL  58           HN       VAL  58  85.297   4.657   7.940
  432    HA   VAL  58           HA       VAL  58  82.678   3.535   7.192
  433    HB   VAL  58           HB       VAL  58  83.641   5.654   9.084
  434   1HG1  VAL  58          HG11      VAL  58  80.980   5.460   7.759
  435   2HG1  VAL  58          HG13      VAL  58  80.981   5.762   9.497
  436   3HG1  VAL  58          HG12      VAL  58  81.808   6.876   8.408
  437   1HG2  VAL  58          HG21      VAL  58  81.884   3.192   9.305
  438   2HG2  VAL  58          HG23      VAL  58  83.540   3.354   9.884
  439   3HG2  VAL  58          HG22      VAL  58  82.244   4.275  10.649
  440    H    ILE  59           HN       ILE  59  81.413   4.324   5.612
  441    HA   ILE  59           HA       ILE  59  82.282   6.822   4.240
  442    HB   ILE  59           HB       ILE  59  80.648   4.474   3.241
  443   1HG1  ILE  59          HG12      ILE  59  83.012   3.944   3.439
  444   2HG1  ILE  59          HG11      ILE  59  82.606   4.148   1.735
  445   1HG2  ILE  59          HG23      ILE  59  81.509   7.018   1.856
  446   2HG2  ILE  59          HG22      ILE  59  80.859   5.607   1.019
  447   3HG2  ILE  59          HG21      ILE  59  79.854   6.490   2.169
  448   1HD1  ILE  59          HD11      ILE  59  83.274   6.670   2.239
  449   2HD1  ILE  59          HD13      ILE  59  84.219   5.914   3.523
  450   3HD1  ILE  59          HD12      ILE  59  84.499   5.463   1.839
  451    H    ASN  60           HN       ASN  60  80.818   8.570   4.233
  452    HA   ASN  60           HA       ASN  60  78.090   7.945   5.317
  453   1HB   ASN  60          2HB       ASN  60  79.797  10.403   5.786
  454   2HB   ASN  60          3HB       ASN  60  78.122  10.232   6.314
  455   1HD2  ASN  60          HD22      ASN  60  79.141   7.406   8.537
  456   2HD2  ASN  60          HD21      ASN  60  78.076   7.575   7.226
  457    H    LYS  61           HN       LYS  61  76.437   8.472   4.019
  458    HA   LYS  61           HA       LYS  61  76.976  10.294   1.719
  459   1HB   LYS  61          2HB       LYS  61  76.186   7.978   1.187
  460   2HB   LYS  61          3HB       LYS  61  74.704   8.318   2.079
  461   1HG   LYS  61          2HG       LYS  61  74.165  10.156   0.558
  462   2HG   LYS  61          3HG       LYS  61  75.688   9.922  -0.300
  463   1HD   LYS  61          2HD       LYS  61  74.518   8.554  -1.670
  464   2HD   LYS  61          3HD       LYS  61  74.573   7.387  -0.349
  465   1HE   LYS  61          2HE       LYS  61  72.439   8.183   0.507
  466   2HE   LYS  61          3HE       LYS  61  72.394   9.469  -0.698
  467   1HZ   LYS  61           HZ3      LYS  61  72.630   7.497  -2.343
  468   2HZ   LYS  61           HZ2      LYS  61  72.025   6.573  -1.052
  469   3HZ   LYS  61           HZ1      LYS  61  71.111   7.861  -1.682
  470    H    THR  62           HN       THR  62  76.061  12.267   1.786
  471    HA   THR  62           HA       THR  62  73.655  12.652   3.520
  472    HB   THR  62           HB       THR  62  76.005  14.542   3.169
  473    HG1  THR  62           HG1      THR  62  76.215  14.111   5.436
  474   1HG2  THR  62          HG22      THR  62  73.291  14.816   4.411
  475   2HG2  THR  62          HG21      THR  62  74.654  15.666   5.139
  476   3HG2  THR  62          HG23      THR  62  74.209  15.988   3.465
  477    H    ALA  63           HN       ALA  63  72.617  14.903   2.852
  478    HA   ALA  63           HA       ALA  63  71.460  14.809   0.383
  479   1HB   ALA  63           HB3      ALA  63  72.407  17.199   1.959
  480   2HB   ALA  63           HB2      ALA  63  71.594  17.411   0.408
  481   3HB   ALA  63           HB1      ALA  63  70.761  16.609   1.739
  482    H    THR  64           HN       THR  64  74.771  15.760   1.067
  483    HA   THR  64           HA       THR  64  75.398  15.506  -1.802
  484    HB   THR  64           HB       THR  64  75.951  18.063  -0.264
  485    HG1  THR  64           HG1      THR  64  74.231  17.449  -2.429
  486   1HG2  THR  64          HG23      THR  64  76.979  16.909  -2.785
  487   2HG2  THR  64          HG22      THR  64  76.472  18.596  -2.874
  488   3HG2  THR  64          HG21      THR  64  77.707  18.105  -1.714
  489    H    GLY  65           HN       GLY  65  76.277  13.683  -0.098
  490   1HA   GLY  65          2HA       GLY  65  79.164  14.281   0.138
  491   2HA   GLY  65          3HA       GLY  65  78.336  13.842   1.631
  492    H    TYR  66           HN       TYR  66  80.001  12.024   1.443
  493    HA   TYR  66           HA       TYR  66  78.671   9.624   0.531
  494   1HB   TYR  66          2HB       TYR  66  79.584  10.298  -1.628
  495   2HB   TYR  66          3HB       TYR  66  81.180  10.503  -0.906
  496    HD1  TYR  66           HD2      TYR  66  78.523   7.978  -1.613
  497    HD2  TYR  66           HD1      TYR  66  82.635   8.664  -0.603
  498    HE1  TYR  66           HE2      TYR  66  79.021   5.573  -1.991
  499    HE2  TYR  66           HE1      TYR  66  83.139   6.267  -0.988
  500    HH   TYR  66           HH       TYR  66  81.686   4.052  -0.887
  501    H    GLY  67           HN       GLY  67  81.988  10.732   1.077
  502   1HA   GLY  67          2HA       GLY  67  82.205   8.718   3.257
  503   2HA   GLY  67          3HA       GLY  67  83.565   9.144   2.218
  504    H    PHE  68           HN       PHE  68  84.592   9.663   4.404
  505    HA   PHE  68           HA       PHE  68  83.598  11.886   5.939
  506   1HB   PHE  68          2HB       PHE  68  85.922  11.950   6.889
  507   2HB   PHE  68          3HB       PHE  68  85.168  10.361   6.968
  508    HD1  PHE  68           HD2      PHE  68  85.759   8.615   5.250
  509    HD2  PHE  68           HD1      PHE  68  87.917  12.308   5.613
  510    HE1  PHE  68           HE2      PHE  68  87.643   7.639   3.974
  511    HE2  PHE  68           HE1      PHE  68  89.802  11.333   4.337
  512    HZ   PHE  68           HZ       PHE  68  89.664   8.995   3.516
  513    H    ALA  69           HN       ALA  69  84.185  14.073   5.855
  514    HA   ALA  69           HA       ALA  69  84.977  15.027   3.203
  515   1HB   ALA  69           HB1      ALA  69  83.224  16.110   4.678
  516   2HB   ALA  69           HB3      ALA  69  84.537  16.659   5.717
  517   3HB   ALA  69           HB2      ALA  69  84.445  17.216   4.046
  518    H    GLU  70           HN       GLU  70  86.873  16.116   2.702
  519    HA   GLU  70           HA       GLU  70  89.008  16.235   4.787
  520   1HB   GLU  70          2HB       GLU  70  89.136  15.073   1.998
  521   2HB   GLU  70          3HB       GLU  70  90.586  15.538   2.875
  522   1HG   GLU  70          2HG       GLU  70  88.497  13.600   3.907
  523   2HG   GLU  70          3HG       GLU  70  90.030  13.132   3.167
  524    HA   PRO  71           HA       PRO  71  89.972  20.394   3.689
  525   1HB   PRO  71          2HB       PRO  71  92.430  19.417   2.300
  526   2HB   PRO  71          3HB       PRO  71  92.256  20.692   3.517
  527   1HG   PRO  71          2HG       PRO  71  93.152  18.125   4.006
  528   2HG   PRO  71          3HG       PRO  71  92.540  19.253   5.223
  529   1HD   PRO  71          2HD       PRO  71  91.349  16.785   4.368
  530   2HD   PRO  71          3HD       PRO  71  90.714  17.936   5.555
  531    H    TYR  72           HN       TYR  72  90.078  17.835   1.324
  532    HA   TYR  72           HA       TYR  72  89.338  19.774  -0.822
  533   1HB   TYR  72          2HB       TYR  72  90.617  17.027  -1.026
  534   2HB   TYR  72          3HB       TYR  72  90.082  17.983  -2.407
  535    HD1  TYR  72           HD2      TYR  72  91.181  20.135  -2.958
  536    HD2  TYR  72           HD1      TYR  72  92.635  17.597   0.188
  537    HE1  TYR  72           HE2      TYR  72  93.323  21.380  -2.943
  538    HE2  TYR  72           HE1      TYR  72  94.779  18.844   0.202
  539    HH   TYR  72           HH       TYR  72  96.062  20.297  -1.029
  540    H    ASN  73           HN       ASN  73  87.211  19.642  -1.330
  541    HA   ASN  73           HA       ASN  73  85.286  18.036  -0.174
  542   1HB   ASN  73          2HB       ASN  73  83.824  18.562  -2.002
  543   2HB   ASN  73          3HB       ASN  73  84.901  19.946  -1.812
  544   1HD2  ASN  73          HD22      ASN  73  84.806  18.884  -5.442
  545   2HD2  ASN  73          HD21      ASN  73  83.592  19.289  -4.326
  546    H    LEU  74           HN       LEU  74  84.132  16.085  -0.947
  547    HA   LEU  74           HA       LEU  74  85.915  14.003  -1.714
  548   1HB   LEU  74          2HB       LEU  74  82.883  14.081  -1.576
  549   2HB   LEU  74          3HB       LEU  74  83.845  12.617  -1.794
  550    HG   LEU  74           HG       LEU  74  84.148  14.503   0.560
  551   1HD1  LEU  74          HD13      LEU  74  82.224  12.355   0.016
  552   2HD1  LEU  74          HD12      LEU  74  83.135  12.111   1.506
  553   3HD1  LEU  74          HD11      LEU  74  82.200  13.589   1.274
  554   1HD2  LEU  74          HD22      LEU  74  85.433  11.965  -0.341
  555   2HD2  LEU  74          HD21      LEU  74  86.137  13.332   0.524
  556   3HD2  LEU  74          HD23      LEU  74  85.145  12.157   1.388
  557    H    TYR  75           HN       TYR  75  85.164  12.561  -3.532
  558    HA   TYR  75           HA       TYR  75  85.331  14.091  -6.016
  559   1HB   TYR  75          2HB       TYR  75  85.309  11.124  -5.467
  560   2HB   TYR  75          3HB       TYR  75  85.533  11.832  -7.068
  561    HD1  TYR  75           HD1      TYR  75  87.497  13.226  -7.566
  562    HD2  TYR  75           HD2      TYR  75  87.054  11.251  -3.777
  563    HE1  TYR  75           HE1      TYR  75  89.894  13.618  -7.082
  564    HE2  TYR  75           HE2      TYR  75  89.458  11.647  -3.294
  565    HH   TYR  75           HH       TYR  75  91.380  13.771  -5.166
  566    H    SER  76           HN       SER  76  83.864  13.920  -7.783
  567    HA   SER  76           HA       SER  76  81.080  13.896  -6.977
  568   1HB   SER  76          2HB       SER  76  80.600  14.531  -9.251
  569   2HB   SER  76          3HB       SER  76  82.049  15.394  -8.748
  570    HG   SER  76           HG       SER  76  83.244  13.668  -9.765
  571    H    SER  77           HN       SER  77  83.189  11.457  -8.367
  572    HA   SER  77           HA       SER  77  80.743   9.768  -8.763
  573   1HB   SER  77          2HB       SER  77  81.861   8.614 -10.554
  574   2HB   SER  77          3HB       SER  77  82.040  10.339 -10.858
  575    HG   SER  77           HG       SER  77  83.923   8.531  -9.754
  576    H    LEU  78           HN       LEU  78  80.806   7.653  -7.987
  577    HA   LEU  78           HA       LEU  78  82.331   7.138  -5.641
  578   1HB   LEU  78          2HB       LEU  78  80.963   5.183  -7.519
  579   2HB   LEU  78          3HB       LEU  78  81.491   4.814  -5.878
  580    HG   LEU  78           HG       LEU  78  79.449   6.916  -6.647
  581   1HD1  LEU  78          HD11      LEU  78  79.244   4.146  -5.455
  582   2HD1  LEU  78          HD13      LEU  78  77.956   5.339  -5.287
  583   3HD1  LEU  78          HD12      LEU  78  78.434   4.779  -6.889
  584   1HD2  LEU  78          HD21      LEU  78  80.880   6.230  -4.122
  585   2HD2  LEU  78          HD23      LEU  78  80.276   7.788  -4.684
  586   3HD2  LEU  78          HD22      LEU  78  79.161   6.609  -3.997
  587    H    LYS  79           HN       LYS  79  82.747   6.027  -8.998
  588    HA   LYS  79           HA       LYS  79  85.000   4.345  -8.542
  589   1HB   LYS  79          2HB       LYS  79  84.104   5.921 -10.969
  590   2HB   LYS  79          3HB       LYS  79  85.483   4.819 -10.999
  591   1HG   LYS  79          2HG       LYS  79  84.054   2.958 -10.306
  592   2HG   LYS  79          3HG       LYS  79  82.669   4.041 -10.179
  593   1HD   LYS  79          2HD       LYS  79  82.905   4.566 -12.608
  594   2HD   LYS  79          3HD       LYS  79  84.200   3.373 -12.710
  595   1HE   LYS  79          2HE       LYS  79  82.130   2.314 -13.411
  596   2HE   LYS  79          3HE       LYS  79  82.597   1.647 -11.845
  597   1HZ   LYS  79           HZ3      LYS  79  80.792   3.970 -12.016
  598   2HZ   LYS  79           HZ2      LYS  79  80.185   2.392 -12.186
  599   3HZ   LYS  79           HZ1      LYS  79  80.973   2.855 -10.754
  600    H    GLU  80           HN       GLU  80  84.815   7.822  -9.342
  601    HA   GLU  80           HA       GLU  80  87.646   8.208  -9.530
  602   1HB   GLU  80          2HB       GLU  80  85.933   9.868 -10.311
  603   2HB   GLU  80          3HB       GLU  80  85.571  10.237  -8.621
  604   1HG   GLU  80          2HG       GLU  80  87.882  10.929  -8.239
  605   2HG   GLU  80          3HG       GLU  80  88.312  10.473  -9.889
  606    H    LEU  81           HN       LEU  81  85.405   8.391  -6.766
  607    HA   LEU  81           HA       LEU  81  87.296   9.395  -4.888
  608   1HB   LEU  81          2HB       LEU  81  84.862   9.273  -4.440
  609   2HB   LEU  81          3HB       LEU  81  84.974   7.518  -4.357
  610    HG   LEU  81           HG       LEU  81  86.744   9.255  -2.644
  611   1HD1  LEU  81          HD13      LEU  81  83.833   8.775  -2.398
  612   2HD1  LEU  81          HD12      LEU  81  84.782   8.523  -0.931
  613   3HD1  LEU  81          HD11      LEU  81  84.819  10.087  -1.747
  614   1HD2  LEU  81          HD23      LEU  81  85.944   6.391  -2.815
  615   2HD2  LEU  81          HD22      LEU  81  87.474   7.104  -2.308
  616   3HD2  LEU  81          HD21      LEU  81  86.112   7.058  -1.193
  617    H    VAL  82           HN       VAL  82  86.467   6.034  -5.754
  618    HA   VAL  82           HA       VAL  82  88.263   4.817  -3.884
  619    HB   VAL  82           HB       VAL  82  87.250   3.816  -6.564
  620   1HG1  VAL  82          HG12      VAL  82  89.067   2.656  -4.517
  621   2HG1  VAL  82          HG11      VAL  82  87.781   1.595  -5.092
  622   3HG1  VAL  82          HG13      VAL  82  88.926   2.293  -6.237
  623   1HG2  VAL  82          HG23      VAL  82  86.210   3.848  -3.771
  624   2HG2  VAL  82          HG22      VAL  82  85.330   3.906  -5.298
  625   3HG2  VAL  82          HG21      VAL  82  85.954   2.368  -4.695
  626    H    LEU  83           HN       LEU  83  88.658   5.948  -7.215
  627    HA   LEU  83           HA       LEU  83  91.278   4.910  -7.656
  628   1HB   LEU  83          2HB       LEU  83  89.861   5.755  -9.475
  629   2HB   LEU  83          3HB       LEU  83  89.969   7.387  -8.813
  630    HG   LEU  83           HG       LEU  83  92.437   7.295  -9.076
  631   1HD1  LEU  83          HD13      LEU  83  91.775   4.521  -9.755
  632   2HD1  LEU  83          HD12      LEU  83  92.841   5.280 -10.936
  633   3HD1  LEU  83          HD11      LEU  83  93.313   5.213  -9.239
  634   1HD2  LEU  83          HD22      LEU  83  90.547   7.827 -10.977
  635   2HD2  LEU  83          HD21      LEU  83  92.275   8.092 -11.201
  636   3HD2  LEU  83          HD23      LEU  83  91.523   6.612 -11.802
  637    H    HIS  84           HN       HIS  84  90.264   8.141  -6.480
  638    HA   HIS  84           HA       HIS  84  92.955   9.121  -6.242
  639   1HB   HIS  84          2HB       HIS  84  90.312   9.953  -5.075
  640   2HB   HIS  84          3HB       HIS  84  91.808  10.759  -4.598
  641    HD1  HIS  84           HD1      HIS  84  89.507  10.262  -7.513
  642    HD2  HIS  84           HD2      HIS  84  93.049  12.285  -6.657
  643    HE1  HIS  84           HE1      HIS  84  89.925  11.844  -9.454
  644    H    TYR  85           HN       TYR  85  90.770   7.568  -3.931
  645    HA   TYR  85           HA       TYR  85  92.400   7.915  -1.631
  646   1HB   TYR  85          2HB       TYR  85  90.284   5.927  -2.420
  647   2HB   TYR  85          3HB       TYR  85  91.151   5.749  -0.894
  648    HD1  TYR  85           HD2      TYR  85  89.853   8.731  -2.799
  649    HD2  TYR  85           HD1      TYR  85  89.845   6.499   0.873
  650    HE1  TYR  85           HE2      TYR  85  88.384  10.440  -1.759
  651    HE2  TYR  85           HE1      TYR  85  88.378   8.208   1.910
  652    HH   TYR  85           HH       TYR  85  88.023  10.989   1.226
  653    H    GLN  86           HN       GLN  86  92.629   5.595  -4.288
  654    HA   GLN  86           HA       GLN  86  94.367   3.759  -2.897
  655   1HB   GLN  86          2HB       GLN  86  94.820   2.775  -5.041
  656   2HB   GLN  86          3HB       GLN  86  93.124   3.259  -5.051
  657   1HG   GLN  86          2HG       GLN  86  93.519   4.505  -6.881
  658   2HG   GLN  86          3HG       GLN  86  94.629   5.502  -5.942
  659   1HE2  GLN  86          HE22      GLN  86  97.329   3.012  -6.947
  660   2HE2  GLN  86          HE21      GLN  86  96.557   3.293  -5.462
  661    H    HIS  87           HN       HIS  87  94.882   6.924  -4.075
  662    HA   HIS  87           HA       HIS  87  97.829   6.482  -4.250
  663   1HB   HIS  87          2HB       HIS  87  96.621   7.718  -6.102
  664   2HB   HIS  87          3HB       HIS  87  96.277   8.996  -4.938
  665    HD1  HIS  87           HD1      HIS  87  98.220  10.528  -4.227
  666    HD2  HIS  87           HD2      HIS  87  99.400   7.480  -6.821
  667    HE1  HIS  87           HE1      HIS  87 100.572  11.100  -4.984
  668    H    THR  88           HN       THR  88  95.346   8.182  -2.394
  669    HA   THR  88           HA       THR  88  97.378   9.638  -0.825
  670    HB   THR  88           HB       THR  88  94.371   9.465  -0.490
  671    HG1  THR  88           HG1      THR  88  94.465  11.517  -1.472
  672   1HG2  THR  88          HG23      THR  88  96.511  11.144   0.826
  673   2HG2  THR  88          HG22      THR  88  94.811  11.614   0.820
  674   3HG2  THR  88          HG21      THR  88  95.307  10.115   1.606
  675    H    SER  89           HN       SER  89  97.988   9.196   1.240
  676    HA   SER  89           HA       SER  89  97.417   6.481   2.242
  677   1HB   SER  89          2HB       SER  89  99.324   8.683   3.015
  678   2HB   SER  89          3HB       SER  89  99.134   7.234   4.002
  679    HG   SER  89           HG       SER  89  99.902   7.402   1.271
  680    H    LEU  90           HN       LEU  90  95.849   6.142   3.727
  681    HA   LEU  90           HA       LEU  90  94.219   8.234   4.751
  682   1HB   LEU  90          2HB       LEU  90  94.595   5.371   5.645
  683   2HB   LEU  90          3HB       LEU  90  93.361   6.438   6.318
  684    HG   LEU  90           HG       LEU  90  93.606   6.115   3.338
  685   1HD1  LEU  90          HD12      LEU  90  92.250   4.232   5.283
  686   2HD1  LEU  90          HD11      LEU  90  91.860   4.292   3.563
  687   3HD1  LEU  90          HD13      LEU  90  93.480   3.828   4.084
  688   1HD2  LEU  90          HD21      LEU  90  92.051   7.725   4.846
  689   2HD2  LEU  90          HD23      LEU  90  91.526   7.071   3.295
  690   3HD2  LEU  90          HD22      LEU  90  91.022   6.294   4.795
  691    H    VAL  91           HN       VAL  91  96.994   6.558   6.320
  692    HA   VAL  91           HA       VAL  91  97.903   6.958   8.527
  693    HB   VAL  91           HB       VAL  91  97.960   9.484   6.856
  694   1HG1  VAL  91          HG12      VAL  91  98.594   9.208   9.740
  695   2HG1  VAL  91          HG11      VAL  91  99.771  10.072   8.755
  696   3HG1  VAL  91          HG13      VAL  91  98.101  10.633   8.828
  697   1HG2  VAL  91          HG22      VAL  91  99.906   7.362   7.740
  698   2HG2  VAL  91          HG21      VAL  91  99.516   7.883   6.101
  699   3HG2  VAL  91          HG23      VAL  91 100.480   8.919   7.152
  700    H    GLN  92           HN       GLN  92  96.343  10.141   8.102
  701    HA   GLN  92           HA       GLN  92  94.885  11.347   9.466
  702   1HB   GLN  92          2HB       GLN  92  93.779   8.566   9.500
  703   2HB   GLN  92          3HB       GLN  92  93.060   9.782  10.553
  704   1HG   GLN  92          2HG       GLN  92  92.546  11.214   8.693
  705   2HG   GLN  92          3HG       GLN  92  93.498  10.222   7.588
  706   1HE2  GLN  92          HE22      GLN  92  89.654   9.327   8.042
  707   2HE2  GLN  92          HE21      GLN  92  90.343  10.827   8.436
  708    H    HIS  93           HN       HIS  93  93.597  10.589  11.902
  709    HA   HIS  93           HA       HIS  93  95.526  11.330  13.813
  710   1HB   HIS  93          2HB       HIS  93  92.929   9.800  14.147
  711   2HB   HIS  93          3HB       HIS  93  93.882  10.402  15.503
  712    HD1  HIS  93           HD1      HIS  93  93.816  12.924  15.986
  713    HD2  HIS  93           HD2      HIS  93  91.779  11.882  12.502
  714    HE1  HIS  93           HE1      HIS  93  92.559  14.993  15.246
  715    H    ASN  94           HN       ASN  94  94.394   8.063  12.934
  716    HA   ASN  94           HA       ASN  94  96.332   6.833  14.765
  717   1HB   ASN  94          2HB       ASN  94  94.487   5.694  12.645
  718   2HB   ASN  94          3HB       ASN  94  95.572   4.700  13.617
  719   1HD2  ASN  94          HD22      ASN  94  93.716   5.377  16.676
  720   2HD2  ASN  94          HD21      ASN  94  95.314   5.209  16.129
  721    H    ASP  95           HN       ASP  95  98.313   7.658  14.004
  722    HA   ASP  95           HA       ASP  95  99.230   8.029  11.447
  723   1HB   ASP  95          2HB       ASP  95 100.513   8.381  13.610
  724   2HB   ASP  95          3HB       ASP  95 100.926   6.667  13.547
  725    H    SER  96           HN       SER  96  98.120   5.045  12.627
  726    HA   SER  96           HA       SER  96  99.874   3.517  10.840
  727   1HB   SER  96          2HB       SER  96  98.768   1.503  11.744
  728   2HB   SER  96          3HB       SER  96  99.305   2.557  13.052
  729    HG   SER  96           HG       SER  96  97.253   3.171  13.417
  730    H    LEU  97           HN       LEU  97  97.134   5.282  10.224
  731    HA   LEU  97           HA       LEU  97  95.956   3.256   8.424
  732   1HB   LEU  97          2HB       LEU  97  95.364   6.229   8.595
  733   2HB   LEU  97          3HB       LEU  97  94.406   5.020   7.753
  734    HG   LEU  97           HG       LEU  97  94.960   4.948  10.717
  735   1HD1  LEU  97          HD12      LEU  97  93.061   6.512   9.166
  736   2HD1  LEU  97          HD11      LEU  97  92.227   5.402  10.254
  737   3HD1  LEU  97          HD13      LEU  97  93.387   6.563  10.898
  738   1HD2  LEU  97          HD21      LEU  97  93.426   3.270   8.770
  739   2HD2  LEU  97          HD23      LEU  97  94.404   2.770  10.149
  740   3HD2  LEU  97          HD22      LEU  97  92.794   3.440  10.408
  741    H    ASN  98           HN       ASN  98  98.764   4.024   8.202
  742    HA   ASN  98           HA       ASN  98  99.054   5.763   5.896
  743   1HB   ASN  98          2HB       ASN  98 101.405   5.160   5.994
  744   2HB   ASN  98          3HB       ASN  98 100.839   5.406   7.644
  745   1HD2  ASN  98          HD22      ASN  98 101.605   2.123   8.635
  746   2HD2  ASN  98          HD21      ASN  98 101.178   3.700   9.093
  747    H    VAL  99           HN       VAL  99  97.189   4.063   5.112
  748    HA   VAL  99           HA       VAL  99  98.639   2.323   3.178
  749    HB   VAL  99           HB       VAL  99  97.692   0.875   4.910
  750   1HG1  VAL  99          HG13      VAL  99  95.110   2.302   4.216
  751   2HG1  VAL  99          HG12      VAL  99  95.186   0.823   5.175
  752   3HG1  VAL  99          HG11      VAL  99  95.935   2.302   5.775
  753   1HG2  VAL  99          HG22      VAL  99  97.642   0.165   2.512
  754   2HG2  VAL  99          HG21      VAL  99  96.358  -0.568   3.473
  755   3HG2  VAL  99          HG23      VAL  99  95.996   0.787   2.403
  756    H    THR 100           HN       THR 100  97.588   2.141   1.164
  757    HA   THR 100           HA       THR 100  95.498   4.232   0.718
  758    HB   THR 100           HB       THR 100  96.396   4.481  -1.533
  759    HG1  THR 100           HG1      THR 100  96.973   2.374  -1.977
  760   1HG2  THR 100          HG22      THR 100  98.331   4.517   0.758
  761   2HG2  THR 100          HG21      THR 100  98.915   4.885  -0.865
  762   3HG2  THR 100          HG23      THR 100  97.642   5.869  -0.140
  763    H    LEU 101           HN       LEU 101  93.748   3.634  -0.715
  764    HA   LEU 101           HA       LEU 101  93.012   0.832  -0.552
  765   1HB   LEU 101          2HB       LEU 101  91.771   2.984  -2.302
  766   2HB   LEU 101          3HB       LEU 101  91.000   1.504  -1.724
  767    HG   LEU 101           HG       LEU 101  91.926   3.842  -0.032
  768   1HD1  LEU 101          HD12      LEU 101  89.700   3.888  -1.365
  769   2HD1  LEU 101          HD11      LEU 101  89.151   2.678  -0.206
  770   3HD1  LEU 101          HD13      LEU 101  89.644   4.278   0.353
  771   1HD2  LEU 101          HD21      LEU 101  91.176   1.031   0.624
  772   2HD2  LEU 101          HD23      LEU 101  92.327   2.096   1.429
  773   3HD2  LEU 101          HD22      LEU 101  90.597   2.298   1.701
  774    H    ALA 102           HN       ALA 102  95.221   0.290  -1.661
  775    HA   ALA 102           HA       ALA 102  95.044   0.594  -4.611
  776   1HB   ALA 102           HB3      ALA 102  97.316  -0.244  -2.802
  777   2HB   ALA 102           HB2      ALA 102  97.420  -0.213  -4.563
  778   3HB   ALA 102           HB1      ALA 102  97.147   1.283  -3.668
  779    H    TYR 103           HN       TYR 103  94.844  -1.950  -2.154
  780    HA   TYR 103           HA       TYR 103  94.811  -3.911  -4.412
  781   1HB   TYR 103          2HB       TYR 103  95.477  -4.362  -1.496
  782   2HB   TYR 103          3HB       TYR 103  95.425  -5.617  -2.735
  783    HD1  TYR 103           HD2      TYR 103  97.206  -2.612  -1.549
  784    HD2  TYR 103           HD1      TYR 103  97.148  -5.777  -4.452
  785    HE1  TYR 103           HE2      TYR 103  99.520  -2.036  -2.218
  786    HE2  TYR 103           HE1      TYR 103  99.468  -5.199  -5.125
  787    HH   TYR 103           HH       TYR 103 101.141  -2.396  -3.709
  788    HA   PRO 104           HA       PRO 104  90.366  -3.991  -3.276
  789   1HB   PRO 104          2HB       PRO 104  90.437  -5.943  -5.517
  790   2HB   PRO 104          3HB       PRO 104  89.390  -4.541  -5.271
  791   1HG   PRO 104          2HG       PRO 104  91.348  -4.531  -7.084
  792   2HG   PRO 104          3HG       PRO 104  90.909  -3.076  -6.174
  793   1HD   PRO 104          2HD       PRO 104  93.277  -4.866  -5.823
  794   2HD   PRO 104          3HD       PRO 104  93.134  -3.113  -5.568
  795    H    VAL 105           HN       VAL 105  89.040  -5.842  -2.488
  796    HA   VAL 105           HA       VAL 105  90.708  -7.941  -1.318
  797    HB   VAL 105           HB       VAL 105  88.807  -6.958  -0.083
  798   1HG1  VAL 105          HG12      VAL 105  87.197  -8.305  -2.270
  799   2HG1  VAL 105          HG11      VAL 105  86.497  -7.660  -0.788
  800   3HG1  VAL 105          HG13      VAL 105  87.274  -6.575  -1.944
  801   1HG2  VAL 105          HG21      VAL 105  89.638  -9.382   0.193
  802   2HG2  VAL 105          HG23      VAL 105  88.062  -8.983   0.873
  803   3HG2  VAL 105          HG22      VAL 105  88.169  -9.850  -0.661
  804    H    TYR 106           HN       TYR 106  88.561  -7.536  -4.043
  805    HA   TYR 106           HA       TYR 106  88.960 -10.413  -4.740
  806   1HB   TYR 106          2HB       TYR 106  86.775  -8.477  -5.530
  807   2HB   TYR 106          3HB       TYR 106  87.015 -10.028  -6.332
  808    HD1  TYR 106           HD1      TYR 106  87.301 -12.087  -4.655
  809    HD2  TYR 106           HD2      TYR 106  85.311  -8.397  -3.727
  810    HE1  TYR 106           HE1      TYR 106  86.058 -13.215  -2.832
  811    HE2  TYR 106           HE2      TYR 106  84.072  -9.527  -1.904
  812    HH   TYR 106           HH       TYR 106  84.000 -12.925  -1.564
  813    H    ALA 107           HN       ALA 107  90.863  -8.178  -5.171
  814    HA   ALA 107           HA       ALA 107  90.821  -7.255  -7.859
  815   1HB   ALA 107           HB2      ALA 107  92.543  -6.972  -5.717
  816   2HB   ALA 107           HB1      ALA 107  93.501  -7.929  -6.847
  817   3HB   ALA 107           HB3      ALA 107  92.848  -6.369  -7.346
  818    H    GLN 108           HN       GLN 108  91.528  -8.189  -9.781
  819    HA   GLN 108           HA       GLN 108  92.040  -9.929 -11.265
  820   1HB   GLN 108          2HB       GLN 108  93.665 -10.872  -8.885
  821   2HB   GLN 108          3HB       GLN 108  93.787 -11.535 -10.512
  822   1HG   GLN 108          2HG       GLN 108  94.478  -9.363 -11.386
  823   2HG   GLN 108          3HG       GLN 108  94.277  -8.634  -9.793
  824   1HE2  GLN 108          HE22      GLN 108  97.196 -10.303  -8.432
  825   2HE2  GLN 108          HE21      GLN 108  95.629  -9.827  -7.989
  826    H    GLN 109           HN       GLN 109  89.579 -10.261 -10.325
  827    HA   GLN 109           HA       GLN 109  89.313 -12.894  -9.022
  828   1HB   GLN 109          2HB       GLN 109  87.763 -11.029  -8.464
  829   2HB   GLN 109          3HB       GLN 109  87.186 -11.036 -10.129
  830   1HG   GLN 109          2HG       GLN 109  86.420 -13.359  -9.875
  831   2HG   GLN 109          3HG       GLN 109  87.029 -13.388  -8.218
  832   1HE2  GLN 109          HE22      GLN 109  83.731 -12.403  -7.313
  833   2HE2  GLN 109          HE21      GLN 109  84.863 -13.668  -7.310
  834    H    ARG 110           HN       ARG 110  88.766 -14.768 -10.121
  835    HA   ARG 110           HA       ARG 110  88.550 -14.513 -13.087
  836   1HB   ARG 110          2HB       ARG 110  90.511 -15.792 -12.244
  837   2HB   ARG 110          3HB       ARG 110  89.414 -16.912 -11.438
  838   1HG   ARG 110          2HG       ARG 110  88.365 -17.390 -13.667
  839   2HG   ARG 110          3HG       ARG 110  89.612 -16.393 -14.416
  840   1HD   ARG 110          2HD       ARG 110  90.223 -18.773 -12.647
  841   2HD   ARG 110          3HD       ARG 110  90.133 -18.864 -14.405
  842    HE   ARG 110           HE       ARG 110  91.907 -16.779 -13.900
  843   1HH1  ARG 110          HH21      ARG 110  91.593 -20.112 -13.079
  844   2HH1  ARG 110          HH22      ARG 110  93.298 -20.364 -12.903
  845   1HH2  ARG 110          HH11      ARG 110  94.135 -17.088 -13.677
  846   2HH2  ARG 110          HH12      ARG 110  94.736 -18.651 -13.241
  847    H    ARG 111           HN       ARG 111  86.651 -15.104 -13.998
  848    HA   ARG 111           HA       ARG 111  84.392 -15.758 -14.082
  849   1HB   ARG 111          2HB       ARG 111  85.457 -17.943 -14.358
  850   2HB   ARG 111          3HB       ARG 111  85.612 -18.114 -12.608
  851   1HG   ARG 111          2HG       ARG 111  83.178 -18.055 -12.366
  852   2HG   ARG 111          3HG       ARG 111  82.989 -17.841 -14.106
  853   1HD   ARG 111          2HD       ARG 111  84.458 -20.035 -14.211
  854   2HD   ARG 111          3HD       ARG 111  83.855 -20.276 -12.574
  855    HE   ARG 111           HE       ARG 111  82.395 -20.821 -14.939
  856   1HH1  ARG 111          HH21      ARG 111  82.028 -19.044 -12.006
  857   2HH1  ARG 111          HH22      ARG 111  80.302 -19.002 -12.093
  858   1HH2  ARG 111          HH11      ARG 111  80.145 -20.799 -15.053
  859   2HH2  ARG 111          HH12      ARG 111  79.234 -20.008 -13.811
   
  No H/Q in entry =         859
  Start of MODEL   18
    1   1H    GLU   1           HT1      GLU   1  95.752  -0.486 -18.161
    2   2H    GLU   1           HT3      GLU   1  96.448  -0.869 -19.659
    3   3H    GLU   1           HT2      GLU   1  95.045   0.087 -19.596
    4    HA   GLU   1           HA       GLU   1  94.430  -2.117 -20.261
    5   1HB   GLU   1          2HB       GLU   1  94.883  -4.020 -18.750
    6   2HB   GLU   1          3HB       GLU   1  96.384  -3.279 -19.305
    7   1HG   GLU   1          2HG       GLU   1  96.469  -1.953 -17.194
    8   2HG   GLU   1          3HG       GLU   1  95.024  -2.800 -16.637
    9    H    ASP   2           HN       ASP   2  93.076  -3.704 -18.369
   10    HA   ASP   2           HA       ASP   2  90.989  -1.818 -17.522
   11   1HB   ASP   2          2HB       ASP   2  90.482  -4.073 -18.514
   12   2HB   ASP   2          3HB       ASP   2  91.158  -4.814 -17.064
   13    H    LEU   3           HN       LEU   3  90.938  -0.917 -15.487
   14    HA   LEU   3           HA       LEU   3  92.771  -2.077 -13.464
   15   1HB   LEU   3          2HB       LEU   3  92.741   0.427 -14.099
   16   2HB   LEU   3          3HB       LEU   3  91.235   0.502 -13.184
   17    HG   LEU   3           HG       LEU   3  92.487  -0.551 -11.242
   18   1HD1  LEU   3          HD11      LEU   3  94.620  -0.404 -13.280
   19   2HD1  LEU   3          HD13      LEU   3  95.083   0.239 -11.706
   20   3HD1  LEU   3          HD12      LEU   3  94.513  -1.421 -11.844
   21   1HD2  LEU   3          HD21      LEU   3  93.332   2.142 -12.340
   22   2HD2  LEU   3          HD23      LEU   3  92.026   1.819 -11.201
   23   3HD2  LEU   3          HD22      LEU   3  93.707   1.600 -10.706
   24    HA   PRO   4           HA       PRO   4  89.306  -4.161 -11.514
   25   1HB   PRO   4          2HB       PRO   4  90.893  -3.532  -9.059
   26   2HB   PRO   4          3HB       PRO   4  90.184  -5.074  -9.576
   27   1HG   PRO   4          2HG       PRO   4  92.786  -4.604  -9.804
   28   2HG   PRO   4          3HG       PRO   4  91.900  -5.531 -11.026
   29   1HD   PRO   4          2HD       PRO   4  92.970  -2.763 -11.182
   30   2HD   PRO   4          3HD       PRO   4  92.701  -3.952 -12.476
   31    H    HIS   5           HN       HIS   5  90.434  -0.965 -10.657
   32    HA   HIS   5           HA       HIS   5  88.439  -0.422  -8.662
   33   1HB   HIS   5          2HB       HIS   5  89.974   1.462 -10.475
   34   2HB   HIS   5          3HB       HIS   5  88.961   1.981  -9.128
   35    HD1  HIS   5           HD1      HIS   5  89.829  -0.510  -7.283
   36    HD2  HIS   5           HD2      HIS   5  92.376   2.231  -9.114
   37    HE1  HIS   5           HE1      HIS   5  92.000  -0.566  -5.984
   38    H    HIS   6           HN       HIS   6  88.361  -0.444 -12.155
   39    HA   HIS   6           HA       HIS   6  86.061   1.209 -12.545
   40   1HB   HIS   6          2HB       HIS   6  87.205  -1.068 -14.173
   41   2HB   HIS   6          3HB       HIS   6  85.801  -0.131 -14.692
   42    HD1  HIS   6           HD1      HIS   6  86.400   2.667 -14.233
   43    HD2  HIS   6           HD2      HIS   6  89.448   0.047 -15.339
   44    HE1  HIS   6           HE1      HIS   6  88.258   4.096 -15.188
   45    H    ASP   7           HN       ASP   7  86.336  -2.273 -11.860
   46    HA   ASP   7           HA       ASP   7  83.398  -2.514 -11.959
   47   1HB   ASP   7          2HB       ASP   7  85.591  -4.546 -11.491
   48   2HB   ASP   7          3HB       ASP   7  83.870  -4.936 -11.495
   49    H    GLU   8           HN       GLU   8  82.141  -2.427 -10.149
   50    HA   GLU   8           HA       GLU   8  83.248  -1.794  -7.570
   51   1HB   GLU   8          2HB       GLU   8  80.473  -2.614  -8.443
   52   2HB   GLU   8          3HB       GLU   8  80.867  -2.200  -6.774
   53   1HG   GLU   8          2HG       GLU   8  81.518   0.026  -7.390
   54   2HG   GLU   8          3HG       GLU   8  81.440  -0.363  -9.112
   55    H    LYS   9           HN       LYS   9  82.390  -4.795  -9.096
   56    HA   LYS   9           HA       LYS   9  82.051  -6.438  -6.807
   57   1HB   LYS   9          2HB       LYS   9  82.430  -8.271  -8.291
   58   2HB   LYS   9          3HB       LYS   9  81.644  -7.013  -9.248
   59   1HG   LYS   9          2HG       LYS   9  84.192  -6.272  -9.653
   60   2HG   LYS   9          3HG       LYS   9  84.468  -7.987  -9.356
   61   1HD   LYS   9          2HD       LYS   9  82.980  -8.606 -11.151
   62   2HD   LYS   9          3HD       LYS   9  82.450  -6.937 -11.354
   63   1HE   LYS   9          2HE       LYS   9  84.052  -6.847 -12.966
   64   2HE   LYS   9          3HE       LYS   9  85.172  -6.680 -11.613
   65   1HZ   LYS   9           HZ1      LYS   9  84.912  -9.308 -11.676
   66   2HZ   LYS   9           HZ3      LYS   9  84.640  -8.978 -13.317
   67   3HZ   LYS   9           HZ2      LYS   9  86.088  -8.480 -12.582
   68    H    THR  10           HN       THR  10  84.993  -5.404  -8.466
   69    HA   THR  10           HA       THR  10  86.795  -7.198  -7.210
   70    HB   THR  10           HB       THR  10  88.452  -5.233  -7.656
   71    HG1  THR  10           HG1      THR  10  87.631  -3.575  -8.799
   72   1HG2  THR  10          HG22      THR  10  86.792  -6.668  -9.739
   73   2HG2  THR  10          HG21      THR  10  88.183  -5.678 -10.175
   74   3HG2  THR  10          HG23      THR  10  88.397  -7.095  -9.146
   75    H    TRP  11           HN       TRP  11  85.392  -4.166  -6.068
   76    HA   TRP  11           HA       TRP  11  86.789  -4.639  -3.464
   77   1HB   TRP  11          2HB       TRP  11  86.168  -2.013  -3.326
   78   2HB   TRP  11          3HB       TRP  11  87.704  -2.607  -3.966
   79    HD1  TRP  11           HD1      TRP  11  87.600  -3.166  -6.728
   80    HE1  TRP  11           HE1      TRP  11  86.549  -1.728  -8.581
   81    HE3  TRP  11           HE3      TRP  11  84.441  -0.338  -3.916
   82    HZ2  TRP  11           HZ2      TRP  11  84.618   0.389  -8.827
   83    HZ3  TRP  11           HZ3      TRP  11  83.007   1.386  -4.970
   84    HH2  TRP  11           HH2      TRP  11  83.090   1.752  -7.424
   85    H    ASN  12           HN       ASN  12  83.725  -4.092  -5.059
   86    HA   ASN  12           HA       ASN  12  82.395  -3.491  -2.485
   87   1HB   ASN  12          2HB       ASN  12  81.717  -2.338  -4.621
   88   2HB   ASN  12          3HB       ASN  12  81.115  -3.892  -5.200
   89   1HD2  ASN  12          HD22      ASN  12  78.017  -3.061  -3.717
   90   2HD2  ASN  12          HD21      ASN  12  78.854  -3.430  -5.148
   91    H    VAL  13           HN       VAL  13  81.747  -5.123  -1.198
   92    HA   VAL  13           HA       VAL  13  81.329  -7.802  -2.420
   93    HB   VAL  13           HB       VAL  13  82.840  -7.480  -0.398
   94   1HG1  VAL  13          HG11      VAL  13  80.805  -5.922   0.519
   95   2HG1  VAL  13          HG13      VAL  13  80.454  -7.434   1.355
   96   3HG1  VAL  13          HG12      VAL  13  82.023  -6.653   1.564
   97   1HG2  VAL  13          HG22      VAL  13  81.151  -9.553  -1.074
   98   2HG2  VAL  13          HG21      VAL  13  82.379  -9.631   0.188
   99   3HG2  VAL  13          HG23      VAL  13  80.709  -9.253   0.606
  100    H    GLY  14           HN       GLY  14  79.537  -5.109  -1.574
  101   1HA   GLY  14          2HA       GLY  14  77.198  -4.830  -1.522
  102   2HA   GLY  14          3HA       GLY  14  77.032  -6.559  -1.826
  103    H    SER  15           HN       SER  15  75.525  -7.051  -0.193
  104    HA   SER  15           HA       SER  15  75.999  -6.085   2.540
  105   1HB   SER  15          2HB       SER  15  73.945  -8.018   1.422
  106   2HB   SER  15          3HB       SER  15  74.013  -7.510   3.107
  107    HG   SER  15           HG       SER  15  73.553  -5.933   0.798
  108    H    SER  16           HN       SER  16  77.373  -7.100   3.906
  109    HA   SER  16           HA       SER  16  77.648 -10.060   3.713
  110   1HB   SER  16          2HB       SER  16  79.525  -9.118   2.438
  111   2HB   SER  16          3HB       SER  16  79.947  -8.085   3.800
  112    HG   SER  16           HG       SER  16  79.932 -10.925   3.726
  113    H    ASN  17           HN       ASN  17  78.200 -11.050   5.718
  114    HA   ASN  17           HA       ASN  17  77.533  -9.479   8.075
  115   1HB   ASN  17          2HB       ASN  17  77.009 -11.935   7.800
  116   2HB   ASN  17          3HB       ASN  17  78.731 -12.263   7.980
  117   1HD2  ASN  17          HD22      ASN  17  77.888 -10.329  11.348
  118   2HD2  ASN  17          HD21      ASN  17  78.217  -9.578   9.862
  119    H    ARG  18           HN       ARG  18  78.936  -8.513   9.475
  120    HA   ARG  18           HA       ARG  18  81.604  -7.935   8.690
  121   1HB   ARG  18          2HB       ARG  18  80.091  -7.635  11.279
  122   2HB   ARG  18          3HB       ARG  18  81.799  -7.197  11.172
  123   1HG   ARG  18          2HG       ARG  18  81.398  -5.474   9.646
  124   2HG   ARG  18          3HG       ARG  18  79.899  -6.202   9.074
  125   1HD   ARG  18          2HD       ARG  18  79.645  -4.124  10.539
  126   2HD   ARG  18          3HD       ARG  18  78.701  -5.531  11.011
  127    HE   ARG  18           HE       ARG  18  81.077  -5.754  12.464
  128   1HH1  ARG  18          HH21      ARG  18  78.642  -3.380  11.948
  129   2HH1  ARG  18          HH22      ARG  18  78.759  -2.706  13.539
  130   1HH2  ARG  18          HH11      ARG  18  81.228  -4.910  14.580
  131   2HH2  ARG  18          HH12      ARG  18  80.209  -3.586  15.036
  132    H    ASN  19           HN       ASN  19  80.309 -10.528  10.728
  133    HA   ASN  19           HA       ASN  19  82.800 -11.360  11.851
  134   1HB   ASN  19          2HB       ASN  19  81.748 -13.456  12.319
  135   2HB   ASN  19          3HB       ASN  19  80.460 -12.254  12.426
  136   1HD2  ASN  19          HD22      ASN  19  79.771 -15.241  10.014
  137   2HD2  ASN  19          HD21      ASN  19  80.691 -15.269  11.441
  138    H    LYS  20           HN       LYS  20  81.162 -12.290   8.803
  139    HA   LYS  20           HA       LYS  20  83.229 -14.074   7.913
  140   1HB   LYS  20          2HB       LYS  20  80.923 -13.979   6.935
  141   2HB   LYS  20          3HB       LYS  20  81.341 -12.431   6.197
  142   1HG   LYS  20          2HG       LYS  20  83.164 -13.489   4.945
  143   2HG   LYS  20          3HG       LYS  20  82.825 -15.034   5.728
  144   1HD   LYS  20          2HD       LYS  20  81.042 -15.459   4.396
  145   2HD   LYS  20          3HD       LYS  20  80.470 -13.793   4.479
  146   1HE   LYS  20          2HE       LYS  20  82.145 -13.110   2.826
  147   2HE   LYS  20          3HE       LYS  20  82.781 -14.754   2.766
  148   1HZ   LYS  20           HZ3      LYS  20  80.000 -13.970   2.076
  149   2HZ   LYS  20           HZ2      LYS  20  81.230 -14.298   0.951
  150   3HZ   LYS  20           HZ1      LYS  20  80.652 -15.531   1.967
  151    H    ALA  21           HN       ALA  21  82.678 -10.600   7.468
  152    HA   ALA  21           HA       ALA  21  84.790 -10.095   5.630
  153   1HB   ALA  21           HB1      ALA  21  82.870  -8.561   6.682
  154   2HB   ALA  21           HB3      ALA  21  84.185  -8.092   7.762
  155   3HB   ALA  21           HB2      ALA  21  84.347  -7.860   6.022
  156    H    GLU  22           HN       GLU  22  84.780 -10.372   9.174
  157    HA   GLU  22           HA       GLU  22  87.423  -9.454   9.676
  158   1HB   GLU  22          2HB       GLU  22  85.786 -11.604  11.068
  159   2HB   GLU  22          3HB       GLU  22  87.337 -11.021  11.668
  160   1HG   GLU  22          2HG       GLU  22  86.470  -8.765  11.891
  161   2HG   GLU  22          3HG       GLU  22  84.948  -9.236  11.131
  162    H    ASN  23           HN       ASN  23  86.172 -12.619   8.670
  163    HA   ASN  23           HA       ASN  23  88.638 -14.047   8.722
  164   1HB   ASN  23          2HB       ASN  23  86.173 -14.328   6.987
  165   2HB   ASN  23          3HB       ASN  23  87.538 -15.434   6.883
  166   1HD2  ASN  23          HD22      ASN  23  85.002 -16.716   9.387
  167   2HD2  ASN  23          HD21      ASN  23  84.855 -16.207   7.775
  168    H    LEU  24           HN       LEU  24  87.052 -12.125   6.198
  169    HA   LEU  24           HA       LEU  24  89.085 -12.471   4.204
  170   1HB   LEU  24          2HB       LEU  24  86.986 -10.338   4.654
  171   2HB   LEU  24          3HB       LEU  24  88.013 -10.400   3.218
  172    HG   LEU  24           HG       LEU  24  86.267 -12.690   4.161
  173   1HD1  LEU  24          HD13      LEU  24  85.638 -10.290   2.620
  174   2HD1  LEU  24          HD12      LEU  24  85.295 -11.770   1.723
  175   3HD1  LEU  24          HD11      LEU  24  84.554 -11.502   3.300
  176   1HD2  LEU  24          HD23      LEU  24  88.269 -12.294   2.015
  177   2HD2  LEU  24          HD22      LEU  24  87.729 -13.783   2.794
  178   3HD2  LEU  24          HD21      LEU  24  86.766 -13.064   1.503
  179    H    LEU  25           HN       LEU  25  88.677 -10.238   6.908
  180    HA   LEU  25           HA       LEU  25  91.022  -8.651   6.026
  181   1HB   LEU  25          2HB       LEU  25  89.241  -8.439   8.469
  182   2HB   LEU  25          3HB       LEU  25  90.549  -7.326   8.077
  183    HG   LEU  25           HG       LEU  25  88.500  -7.866   5.970
  184   1HD1  LEU  25          HD13      LEU  25  87.305  -7.454   8.198
  185   2HD1  LEU  25          HD12      LEU  25  88.013  -5.839   8.159
  186   3HD1  LEU  25          HD11      LEU  25  86.906  -6.351   6.884
  187   1HD2  LEU  25          HD23      LEU  25  90.342  -5.636   6.807
  188   2HD2  LEU  25          HD22      LEU  25  90.126  -6.384   5.224
  189   3HD2  LEU  25          HD21      LEU  25  88.916  -5.265   5.838
  190    H    ARG  26           HN       ARG  26  90.511 -11.494   7.659
  191    HA   ARG  26           HA       ARG  26  92.691 -11.114   9.593
  192   1HB   ARG  26          2HB       ARG  26  91.192 -12.455  10.686
  193   2HB   ARG  26          3HB       ARG  26  90.427 -12.963   9.185
  194   1HG   ARG  26          2HG       ARG  26  91.449 -14.882  10.236
  195   2HG   ARG  26          3HG       ARG  26  92.343 -14.490   8.772
  196   1HD   ARG  26          2HD       ARG  26  93.921 -13.138  10.262
  197   2HD   ARG  26          3HD       ARG  26  93.115 -13.883  11.637
  198    HE   ARG  26           HE       ARG  26  93.851 -16.016   9.997
  199   1HH1  ARG  26          HH21      ARG  26  95.344 -13.323  11.525
  200   2HH1  ARG  26          HH22      ARG  26  96.878 -14.104  11.718
  201   1HH2  ARG  26          HH11      ARG  26  95.857 -17.060  10.216
  202   2HH2  ARG  26          HH12      ARG  26  97.171 -16.220  10.967
  203    H    GLY  27           HN       GLY  27  94.750 -11.631   9.072
  204   1HA   GLY  27          2HA       GLY  27  96.564 -12.659   7.990
  205   2HA   GLY  27          3HA       GLY  27  95.439 -13.876   7.384
  206    H    LYS  28           HN       LYS  28  94.801 -10.492   6.800
  207    HA   LYS  28           HA       LYS  28  95.409 -10.974   3.921
  208   1HB   LYS  28          2HB       LYS  28  93.027 -10.324   4.740
  209   2HB   LYS  28          3HB       LYS  28  93.707  -8.719   4.988
  210   1HG   LYS  28          2HG       LYS  28  92.830  -8.604   2.799
  211   2HG   LYS  28          3HG       LYS  28  94.544  -8.919   2.532
  212   1HD   LYS  28          2HD       LYS  28  94.043 -11.344   2.302
  213   2HD   LYS  28          3HD       LYS  28  92.331 -10.997   2.531
  214   1HE   LYS  28          2HE       LYS  28  92.265  -9.672   0.516
  215   2HE   LYS  28          3HE       LYS  28  94.017  -9.785   0.326
  216   1HZ   LYS  28           HZ1      LYS  28  93.100 -12.369   0.576
  217   2HZ   LYS  28           HZ3      LYS  28  92.009 -11.610  -0.477
  218   3HZ   LYS  28           HZ2      LYS  28  93.669 -11.616  -0.837
  219    H    ARG  29           HN       ARG  29  96.813  -9.589   2.864
  220    HA   ARG  29           HA       ARG  29  98.700  -8.107   4.471
  221   1HB   ARG  29          2HB       ARG  29  98.321  -8.205   1.465
  222   2HB   ARG  29          3HB       ARG  29  99.694  -7.455   2.280
  223   1HG   ARG  29          2HG       ARG  29 100.057  -9.725   3.425
  224   2HG   ARG  29          3HG       ARG  29  98.928 -10.379   2.237
  225   1HD   ARG  29          2HD       ARG  29 100.342  -9.583   0.406
  226   2HD   ARG  29          3HD       ARG  29 101.447  -8.835   1.559
  227    HE   ARG  29           HE       ARG  29 101.385 -11.499   2.334
  228   1HH1  ARG  29          HH21      ARG  29 101.914  -9.770  -0.598
  229   2HH1  ARG  29          HH22      ARG  29 103.050 -10.913  -1.231
  230   1HH2  ARG  29          HH11      ARG  29 102.848 -13.031   1.515
  231   2HH2  ARG  29          HH12      ARG  29 103.577 -12.765  -0.035
  232    H    ASP  30           HN       ASP  30  99.085  -5.881   4.523
  233    HA   ASP  30           HA       ASP  30  96.854  -4.130   4.676
  234   1HB   ASP  30          2HB       ASP  30  99.094  -3.818   5.771
  235   2HB   ASP  30          3HB       ASP  30  99.749  -3.371   4.195
  236    H    GLY  31           HN       GLY  31  96.033  -2.604   3.240
  237   1HA   GLY  31          2HA       GLY  31  96.169  -1.291   1.179
  238   2HA   GLY  31          3HA       GLY  31  97.205  -2.547   0.500
  239    H    THR  32           HN       THR  32  95.366  -4.653   1.689
  240    HA   THR  32           HA       THR  32  93.568  -4.733  -0.620
  241    HB   THR  32           HB       THR  32  93.766  -6.624   1.737
  242    HG1  THR  32           HG1      THR  32  95.420  -7.405   0.731
  243   1HG2  THR  32          HG21      THR  32  91.955  -6.408  -0.518
  244   2HG2  THR  32          HG23      THR  32  92.854  -7.923  -0.581
  245   3HG2  THR  32          HG22      THR  32  91.901  -7.521   0.848
  246    H    PHE  33           HN       PHE  33  91.490  -3.895  -0.589
  247    HA   PHE  33           HA       PHE  33  90.153  -3.822   2.060
  248   1HB   PHE  33          2HB       PHE  33  89.821  -1.569   2.116
  249   2HB   PHE  33          3HB       PHE  33  91.314  -1.576   1.186
  250    HD1  PHE  33           HD1      PHE  33  91.028  -1.683  -1.446
  251    HD2  PHE  33           HD2      PHE  33  87.921  -0.570   1.298
  252    HE1  PHE  33           HE1      PHE  33  89.812  -0.516  -3.274
  253    HE2  PHE  33           HE2      PHE  33  86.730   0.595  -0.535
  254    HZ   PHE  33           HZ       PHE  33  87.660   0.616  -2.800
  255    H    LEU  34           HN       LEU  34  87.832  -3.309   1.916
  256    HA   LEU  34           HA       LEU  34  86.613  -4.008  -0.713
  257   1HB   LEU  34          2HB       LEU  34  85.050  -5.562   0.375
  258   2HB   LEU  34          3HB       LEU  34  86.707  -6.091   0.628
  259    HG   LEU  34           HG       LEU  34  85.485  -4.294   2.688
  260   1HD1  LEU  34          HD11      LEU  34  84.578  -7.057   2.044
  261   2HD1  LEU  34          HD13      LEU  34  84.866  -6.699   3.747
  262   3HD1  LEU  34          HD12      LEU  34  83.706  -5.742   2.829
  263   1HD2  LEU  34          HD23      LEU  34  87.480  -6.570   2.626
  264   2HD2  LEU  34          HD22      LEU  34  87.772  -4.881   3.045
  265   3HD2  LEU  34          HD21      LEU  34  86.851  -5.915   4.138
  266    H    VAL  35           HN       VAL  35  84.347  -3.318  -0.871
  267    HA   VAL  35           HA       VAL  35  83.727  -1.096   1.018
  268    HB   VAL  35           HB       VAL  35  82.995  -1.484  -1.900
  269   1HG1  VAL  35          HG11      VAL  35  81.553  -0.087   0.181
  270   2HG1  VAL  35          HG13      VAL  35  82.203   1.074  -0.974
  271   3HG1  VAL  35          HG12      VAL  35  81.157  -0.233  -1.531
  272   1HG2  VAL  35          HG21      VAL  35  84.584   0.586  -0.365
  273   2HG2  VAL  35          HG23      VAL  35  85.213  -0.570  -1.544
  274   3HG2  VAL  35          HG22      VAL  35  84.149   0.737  -2.064
  275    H    ARG  36           HN       ARG  36  81.847  -1.143   2.152
  276    HA   ARG  36           HA       ARG  36  79.800  -3.208   1.431
  277   1HB   ARG  36          2HB       ARG  36  80.904  -2.537   4.169
  278   2HB   ARG  36          3HB       ARG  36  79.419  -3.459   3.918
  279   1HG   ARG  36          2HG       ARG  36  80.704  -5.072   2.536
  280   2HG   ARG  36          3HG       ARG  36  82.176  -4.187   2.928
  281   1HD   ARG  36          2HD       ARG  36  80.345  -5.596   4.877
  282   2HD   ARG  36          3HD       ARG  36  81.988  -6.061   4.453
  283    HE   ARG  36           HE       ARG  36  82.129  -3.406   5.397
  284   1HH1  ARG  36          HH21      ARG  36  81.221  -6.544   6.452
  285   2HH1  ARG  36          HH22      ARG  36  81.502  -6.219   8.130
  286   1HH2  ARG  36          HH11      ARG  36  82.491  -2.929   7.584
  287   2HH2  ARG  36          HH12      ARG  36  82.186  -4.146   8.779
  288    H    GLU  37           HN       GLU  37  77.758  -2.671   2.976
  289    HA   GLU  37           HA       GLU  37  77.260   0.217   2.536
  290   1HB   GLU  37          2HB       GLU  37  74.842  -0.482   2.709
  291   2HB   GLU  37          3HB       GLU  37  75.702  -1.215   1.355
  292   1HG   GLU  37          2HG       GLU  37  75.896  -3.302   2.473
  293   2HG   GLU  37          3HG       GLU  37  75.486  -2.593   4.035
  294    H    SER  38           HN       SER  38  75.582   1.083   4.245
  295    HA   SER  38           HA       SER  38  76.752   0.568   6.891
  296   1HB   SER  38          2HB       SER  38  74.361   2.280   6.104
  297   2HB   SER  38          3HB       SER  38  75.152   2.279   7.680
  298    HG   SER  38           HG       SER  38  76.611   3.550   6.880
  299    H    SER  39           HN       SER  39  75.217  -1.316   5.122
  300    HA   SER  39           HA       SER  39  73.819  -3.119   5.359
  301   1HB   SER  39          2HB       SER  39  75.120  -3.440   7.453
  302   2HB   SER  39          3HB       SER  39  73.984  -2.404   8.310
  303    HG   SER  39           HG       SER  39  73.454  -4.598   8.565
  304    H    LYS  40           HN       LYS  40  71.563  -3.468   5.323
  305    HA   LYS  40           HA       LYS  40  69.296  -2.865   5.308
  306   1HB   LYS  40          2HB       LYS  40  70.138  -1.246   7.735
  307   2HB   LYS  40          3HB       LYS  40  68.481  -1.649   7.293
  308   1HG   LYS  40          2HG       LYS  40  69.094  -4.076   7.428
  309   2HG   LYS  40          3HG       LYS  40  70.681  -3.595   8.036
  310   1HD   LYS  40          2HD       LYS  40  69.704  -2.542   9.971
  311   2HD   LYS  40          3HD       LYS  40  68.076  -2.746   9.324
  312   1HE   LYS  40          2HE       LYS  40  68.116  -4.586  10.691
  313   2HE   LYS  40          3HE       LYS  40  68.863  -5.313   9.269
  314   1HZ   LYS  40           HZ3      LYS  40  71.041  -4.510  10.280
  315   2HZ   LYS  40           HZ2      LYS  40  70.168  -4.306  11.722
  316   3HZ   LYS  40           HZ1      LYS  40  70.287  -5.843  11.012
  317    H    GLN  41           HN       GLN  41  71.217  -1.318   3.754
  318    HA   GLN  41           HA       GLN  41  71.287   0.656   2.495
  319   1HB   GLN  41          2HB       GLN  41  68.916   0.034   2.048
  320   2HB   GLN  41          3HB       GLN  41  68.424   0.953   3.471
  321   1HG   GLN  41          2HG       GLN  41  69.349   3.004   2.480
  322   2HG   GLN  41          3HG       GLN  41  69.883   2.094   1.068
  323   1HE2  GLN  41          HE22      GLN  41  66.539   3.655   0.337
  324   2HE2  GLN  41          HE21      GLN  41  68.054   4.264   0.800
  325    H    GLY  42           HN       GLY  42  71.725   2.890   2.783
  326   1HA   GLY  42          2HA       GLY  42  71.031   4.737   4.621
  327   2HA   GLY  42          3HA       GLY  42  72.068   3.698   5.601
  328    H    CYS  43           HN       CYS  43  74.284   3.177   4.389
  329    HA   CYS  43           HA       CYS  43  75.175   5.331   2.609
  330   1HB   CYS  43          2HB       CYS  43  76.367   5.091   5.389
  331   2HB   CYS  43          3HB       CYS  43  76.971   6.130   4.107
  332    HG   CYS  43           HG       CYS  43  74.739   7.504   4.241
  333    H    TYR  44           HN       TYR  44  77.866   5.033   2.665
  334    HA   TYR  44           HA       TYR  44  78.232   2.098   2.217
  335   1HB   TYR  44          2HB       TYR  44  79.546   4.425   0.779
  336   2HB   TYR  44          3HB       TYR  44  79.831   2.717   0.440
  337    HD1  TYR  44           HD2      TYR  44  77.413   5.488   0.202
  338    HD2  TYR  44           HD1      TYR  44  78.134   1.338  -0.645
  339    HE1  TYR  44           HE2      TYR  44  75.434   5.451  -1.293
  340    HE2  TYR  44           HE1      TYR  44  76.154   1.299  -2.139
  341    HH   TYR  44           HH       TYR  44  74.206   4.235  -2.695
  342    H    ALA  45           HN       ALA  45  80.444   1.297   2.618
  343    HA   ALA  45           HA       ALA  45  82.177   3.033   4.275
  344   1HB   ALA  45           HB1      ALA  45  80.880   0.472   5.226
  345   2HB   ALA  45           HB3      ALA  45  82.318   1.147   5.990
  346   3HB   ALA  45           HB2      ALA  45  80.810   2.064   5.981
  347    H    CYS  46           HN       CYS  46  84.322   2.592   3.855
  348    HA   CYS  46           HA       CYS  46  84.898   0.186   2.203
  349   1HB   CYS  46          2HB       CYS  46  86.982   1.347   1.570
  350   2HB   CYS  46          3HB       CYS  46  85.574   2.348   1.221
  351    HG   CYS  46           HG       CYS  46  87.665   2.897   3.433
  352    H    SER  47           HN       SER  47  85.717  -1.501   3.296
  353    HA   SER  47           HA       SER  47  87.102  -0.997   5.879
  354   1HB   SER  47          2HB       SER  47  86.228  -3.639   4.673
  355   2HB   SER  47          3HB       SER  47  86.743  -3.354   6.333
  356    HG   SER  47           HG       SER  47  84.923  -1.946   6.534
  357    H    VAL  48           HN       VAL  48  89.301  -1.147   5.965
  358    HA   VAL  48           HA       VAL  48  90.672  -2.643   3.772
  359    HB   VAL  48           HB       VAL  48  90.930  -0.235   3.385
  360   1HG1  VAL  48          HG13      VAL  48  91.312  -0.270   6.288
  361   2HG1  VAL  48          HG12      VAL  48  92.521   0.697   5.443
  362   3HG1  VAL  48          HG11      VAL  48  90.805   1.055   5.241
  363   1HG2  VAL  48          HG23      VAL  48  92.895  -1.909   3.148
  364   2HG2  VAL  48          HG22      VAL  48  93.276  -0.186   3.158
  365   3HG2  VAL  48          HG21      VAL  48  93.519  -1.154   4.613
  366    H    VAL  49           HN       VAL  49  92.934  -3.214   4.362
  367    HA   VAL  49           HA       VAL  49  93.112  -3.977   7.250
  368    HB   VAL  49           HB       VAL  49  94.676  -5.206   4.971
  369   1HG1  VAL  49          HG13      VAL  49  95.274  -5.319   7.545
  370   2HG1  VAL  49          HG12      VAL  49  93.985  -6.521   7.574
  371   3HG1  VAL  49          HG11      VAL  49  95.395  -6.765   6.544
  372   1HG2  VAL  49          HG22      VAL  49  91.985  -5.383   5.141
  373   2HG2  VAL  49          HG21      VAL  49  92.992  -6.701   4.549
  374   3HG2  VAL  49          HG23      VAL  49  92.440  -6.697   6.226
  375    H    VAL  50           HN       VAL  50  94.917  -3.255   8.389
  376    HA   VAL  50           HA       VAL  50  96.755  -1.545   6.788
  377    HB   VAL  50           HB       VAL  50  95.761  -1.312   9.634
  378   1HG1  VAL  50          HG11      VAL  50  98.229  -0.319   8.379
  379   2HG1  VAL  50          HG13      VAL  50  97.252   0.946   9.125
  380   3HG1  VAL  50          HG12      VAL  50  97.802  -0.428  10.088
  381   1HG2  VAL  50          HG21      VAL  50  95.498   0.261   7.082
  382   2HG2  VAL  50          HG23      VAL  50  94.213  -0.385   8.098
  383   3HG2  VAL  50          HG22      VAL  50  95.161   0.998   8.647
  384    H    ASP  51           HN       ASP  51  98.959  -1.618   7.229
  385    HA   ASP  51           HA       ASP  51 100.141  -4.092   7.744
  386   1HB   ASP  51          2HB       ASP  51 101.266  -2.045   6.754
  387   2HB   ASP  51          3HB       ASP  51 101.409  -1.420   8.399
  388    H    GLY  52           HN       GLY  52  98.643  -2.002   9.862
  389   1HA   GLY  52          2HA       GLY  52 100.059  -3.125  12.219
  390   2HA   GLY  52          3HA       GLY  52  99.038  -1.689  12.244
  391    H    GLU  53           HN       GLU  53  96.690  -2.520  11.088
  392    HA   GLU  53           HA       GLU  53  95.872  -5.101  12.213
  393   1HB   GLU  53          2HB       GLU  53  94.860  -2.515  13.445
  394   2HB   GLU  53          3HB       GLU  53  94.153  -4.097  13.740
  395   1HG   GLU  53          2HG       GLU  53  96.971  -3.222  14.442
  396   2HG   GLU  53          3HG       GLU  53  95.655  -3.539  15.565
  397    H    VAL  54           HN       VAL  54  93.253  -5.050  12.185
  398    HA   VAL  54           HA       VAL  54  92.531  -4.236   9.416
  399    HB   VAL  54           HB       VAL  54  91.879  -6.475   9.805
  400   1HG1  VAL  54          HG13      VAL  54  90.930  -5.485  12.512
  401   2HG1  VAL  54          HG12      VAL  54  90.578  -7.097  11.890
  402   3HG1  VAL  54          HG11      VAL  54  92.248  -6.613  12.192
  403   1HG2  VAL  54          HG22      VAL  54  90.039  -4.946   8.948
  404   2HG2  VAL  54          HG21      VAL  54  89.464  -6.421   9.725
  405   3HG2  VAL  54          HG23      VAL  54  89.416  -4.891  10.596
  406    H    LYS  55           HN       LYS  55  91.239  -2.456   9.064
  407    HA   LYS  55           HA       LYS  55  89.640  -1.473  11.395
  408   1HB   LYS  55          2HB       LYS  55  91.317   0.135   9.461
  409   2HB   LYS  55          3HB       LYS  55  90.112   0.855  10.530
  410   1HG   LYS  55          2HG       LYS  55  91.920   1.015  11.932
  411   2HG   LYS  55          3HG       LYS  55  91.434  -0.632  12.335
  412   1HD   LYS  55          2HD       LYS  55  93.068  -1.575  10.865
  413   2HD   LYS  55          3HD       LYS  55  93.403  -0.002  10.131
  414   1HE   LYS  55          2HE       LYS  55  94.468   0.812  12.096
  415   2HE   LYS  55          3HE       LYS  55  93.818  -0.493  13.087
  416   1HZ   LYS  55           HZ1      LYS  55  95.146  -1.979  11.463
  417   2HZ   LYS  55           HZ3      LYS  55  96.019  -0.564  11.134
  418   3HZ   LYS  55           HZ2      LYS  55  95.965  -1.179  12.717
  419    H    HIS  56           HN       HIS  56  87.655  -0.495  10.916
  420    HA   HIS  56           HA       HIS  56  86.628  -1.031   8.166
  421   1HB   HIS  56          2HB       HIS  56  85.236  -0.686  10.842
  422   2HB   HIS  56          3HB       HIS  56  84.370  -0.749   9.309
  423    HD1  HIS  56           HD1      HIS  56  85.946  -2.925  11.853
  424    HD2  HIS  56           HD2      HIS  56  84.711  -3.271   7.890
  425    HE1  HIS  56           HE1      HIS  56  85.880  -5.410  11.327
  426    H    CYS  57           HN       CYS  57  87.180   0.923   7.068
  427    HA   CYS  57           HA       CYS  57  86.659   3.495   8.392
  428   1HB   CYS  57          2HB       CYS  57  87.607   2.811   5.598
  429   2HB   CYS  57          3HB       CYS  57  87.401   4.460   6.188
  430    HG   CYS  57           HG       CYS  57  89.177   3.801   8.112
  431    H    VAL  58           HN       VAL  58  84.991   4.940   7.842
  432    HA   VAL  58           HA       VAL  58  82.689   3.634   6.475
  433    HB   VAL  58           HB       VAL  58  82.577   4.416   8.891
  434   1HG1  VAL  58          HG11      VAL  58  83.820   6.564   8.411
  435   2HG1  VAL  58          HG13      VAL  58  82.375   7.144   7.581
  436   3HG1  VAL  58          HG12      VAL  58  82.316   6.782   9.306
  437   1HG2  VAL  58          HG21      VAL  58  80.636   5.501   6.830
  438   2HG2  VAL  58          HG23      VAL  58  80.539   3.950   7.667
  439   3HG2  VAL  58          HG22      VAL  58  80.305   5.451   8.562
  440    H    ILE  59           HN       ILE  59  81.629   4.575   4.776
  441    HA   ILE  59           HA       ILE  59  82.735   7.152   3.758
  442    HB   ILE  59           HB       ILE  59  81.151   5.045   2.249
  443   1HG1  ILE  59          HG12      ILE  59  83.365   4.184   2.877
  444   2HG1  ILE  59          HG11      ILE  59  83.323   4.537   1.152
  445   1HG2  ILE  59          HG22      ILE  59  81.025   7.451   1.471
  446   2HG2  ILE  59          HG21      ILE  59  82.765   7.373   1.197
  447   3HG2  ILE  59          HG23      ILE  59  81.681   6.320   0.287
  448   1HD1  ILE  59          HD13      ILE  59  84.159   6.934   2.090
  449   2HD1  ILE  59          HD12      ILE  59  84.845   5.874   3.321
  450   3HD1  ILE  59          HD11      ILE  59  85.265   5.643   1.624
  451    H    ASN  60           HN       ASN  60  81.327   8.899   3.940
  452    HA   ASN  60           HA       ASN  60  78.479   8.211   4.572
  453   1HB   ASN  60          2HB       ASN  60  80.178  10.554   5.452
  454   2HB   ASN  60          3HB       ASN  60  78.439  10.438   5.739
  455   1HD2  ASN  60          HD22      ASN  60  79.089   7.315   7.734
  456   2HD2  ASN  60          HD21      ASN  60  78.261   7.635   6.288
  457    H    LYS  61           HN       LYS  61  76.996   8.840   3.131
  458    HA   LYS  61           HA       LYS  61  77.775  10.942   1.162
  459   1HB   LYS  61          2HB       LYS  61  77.232   8.677   0.247
  460   2HB   LYS  61          3HB       LYS  61  75.612   8.831   0.928
  461   1HG   LYS  61          2HG       LYS  61  75.233  10.862  -0.422
  462   2HG   LYS  61          3HG       LYS  61  76.850  10.710  -1.106
  463   1HD   LYS  61          2HD       LYS  61  76.263   8.564  -2.119
  464   2HD   LYS  61          3HD       LYS  61  74.669   8.617  -1.364
  465   1HE   LYS  61          2HE       LYS  61  74.111  10.646  -2.616
  466   2HE   LYS  61          3HE       LYS  61  75.721  10.666  -3.337
  467   1HZ   LYS  61           HZ3      LYS  61  74.274   8.179  -3.618
  468   2HZ   LYS  61           HZ2      LYS  61  73.590   9.496  -4.444
  469   3HZ   LYS  61           HZ1      LYS  61  75.195   9.034  -4.756
  470    H    THR  62           HN       THR  62  76.768  12.882   1.426
  471    HA   THR  62           HA       THR  62  73.984  12.889   2.468
  472    HB   THR  62           HB       THR  62  74.500  14.723   4.023
  473    HG1  THR  62           HG1      THR  62  77.212  14.356   3.882
  474   1HG2  THR  62          HG22      THR  62  74.655  12.389   4.810
  475   2HG2  THR  62          HG21      THR  62  76.358  12.356   4.357
  476   3HG2  THR  62          HG23      THR  62  75.809  13.427   5.648
  477    H    ALA  63           HN       ALA  63  72.988  15.125   2.146
  478    HA   ALA  63           HA       ALA  63  72.919  15.950  -0.478
  479   1HB   ALA  63           HB1      ALA  63  71.759  16.854   1.776
  480   2HB   ALA  63           HB3      ALA  63  72.934  18.146   1.545
  481   3HB   ALA  63           HB2      ALA  63  71.753  17.794   0.283
  482    H    THR  64           HN       THR  64  75.523  16.313   1.726
  483    HA   THR  64           HA       THR  64  77.163  17.564  -0.373
  484    HB   THR  64           HB       THR  64  76.826  18.851   2.352
  485    HG1  THR  64           HG1      THR  64  75.451  20.103   1.401
  486   1HG2  THR  64          HG21      THR  64  78.960  18.917   0.464
  487   2HG2  THR  64          HG23      THR  64  78.161  20.486   0.434
  488   3HG2  THR  64          HG22      THR  64  78.795  19.846   1.950
  489    H    GLY  65           HN       GLY  65  77.235  14.949   0.810
  490   1HA   GLY  65          2HA       GLY  65  79.940  15.094   2.019
  491   2HA   GLY  65          3HA       GLY  65  78.691  14.231   2.915
  492    H    TYR  66           HN       TYR  66  80.876  12.867   2.214
  493    HA   TYR  66           HA       TYR  66  79.864  10.686   0.618
  494   1HB   TYR  66          2HB       TYR  66  82.000  12.499  -0.530
  495   2HB   TYR  66          3HB       TYR  66  81.846  10.815  -1.023
  496    HD1  TYR  66           HD1      TYR  66  79.699  10.022  -2.079
  497    HD2  TYR  66           HD2      TYR  66  80.501  14.175  -1.330
  498    HE1  TYR  66           HE1      TYR  66  77.915  10.655  -3.682
  499    HE2  TYR  66           HE2      TYR  66  78.721  14.808  -2.937
  500    HH   TYR  66           HH       TYR  66  76.517  12.468  -4.262
  501    H    GLY  67           HN       GLY  67  82.155  12.299   2.560
  502   1HA   GLY  67          2HA       GLY  67  82.997  10.207   4.153
  503   2HA   GLY  67          3HA       GLY  67  84.107  10.152   2.779
  504    H    PHE  68           HN       PHE  68  85.458  12.031   2.373
  505    HA   PHE  68           HA       PHE  68  85.867  13.659   4.838
  506   1HB   PHE  68          2HB       PHE  68  87.706  13.132   2.485
  507   2HB   PHE  68          3HB       PHE  68  88.107  14.148   3.870
  508    HD1  PHE  68           HD1      PHE  68  87.426  12.902   6.227
  509    HD2  PHE  68           HD2      PHE  68  88.590  10.983   2.565
  510    HE1  PHE  68           HE1      PHE  68  88.135  10.899   7.505
  511    HE2  PHE  68           HE2      PHE  68  89.299   8.976   3.843
  512    HZ   PHE  68           HZ       PHE  68  89.072   8.937   6.314
  513    H    ALA  69           HN       ALA  69  85.708  15.905   4.730
  514    HA   ALA  69           HA       ALA  69  85.082  17.077   2.046
  515   1HB   ALA  69           HB3      ALA  69  83.769  17.734   4.699
  516   2HB   ALA  69           HB2      ALA  69  83.455  18.562   3.173
  517   3HB   ALA  69           HB1      ALA  69  83.021  16.863   3.361
  518    H    GLU  70           HN       GLU  70  87.392  17.049   4.324
  519    HA   GLU  70           HA       GLU  70  87.772  20.006   4.291
  520   1HB   GLU  70          2HB       GLU  70  89.033  17.870   6.028
  521   2HB   GLU  70          3HB       GLU  70  89.426  19.588   6.110
  522   1HG   GLU  70          2HG       GLU  70  87.781  19.494   7.733
  523   2HG   GLU  70          3HG       GLU  70  86.783  19.819   6.317
  524    HA   PRO  71           HA       PRO  71  91.744  18.222   2.359
  525   1HB   PRO  71          2HB       PRO  71  91.732  15.701   1.418
  526   2HB   PRO  71          3HB       PRO  71  91.993  16.047   3.139
  527   1HG   PRO  71          2HG       PRO  71  89.594  14.991   1.768
  528   2HG   PRO  71          3HG       PRO  71  90.186  14.688   3.408
  529   1HD   PRO  71          2HD       PRO  71  88.122  16.495   2.666
  530   2HD   PRO  71          3HD       PRO  71  88.890  16.359   4.264
  531    H    TYR  72           HN       TYR  72  89.176  16.367   0.671
  532    HA   TYR  72           HA       TYR  72  89.779  18.001  -1.761
  533   1HB   TYR  72          2HB       TYR  72  88.912  15.099  -1.562
  534   2HB   TYR  72          3HB       TYR  72  88.973  16.007  -3.071
  535    HD1  TYR  72           HD1      TYR  72  91.015  14.582  -0.317
  536    HD2  TYR  72           HD2      TYR  72  91.080  16.573  -4.127
  537    HE1  TYR  72           HE1      TYR  72  93.442  14.095  -0.536
  538    HE2  TYR  72           HE2      TYR  72  93.498  16.079  -4.344
  539    HH   TYR  72           HH       TYR  72  95.363  15.490  -3.118
  540    H    ASN  73           HN       ASN  73  87.717  18.108   0.575
  541    HA   ASN  73           HA       ASN  73  85.505  18.833   0.804
  542   1HB   ASN  73          2HB       ASN  73  85.739  19.291  -2.189
  543   2HB   ASN  73          3HB       ASN  73  84.478  19.943  -1.144
  544   1HD2  ASN  73          HD22      ASN  73  86.797  22.186   0.550
  545   2HD2  ASN  73          HD21      ASN  73  85.529  21.122   0.924
  546    H    LEU  74           HN       LEU  74  83.953  18.324  -1.995
  547    HA   LEU  74           HA       LEU  74  82.958  15.675  -1.122
  548   1HB   LEU  74          2HB       LEU  74  81.700  17.644  -3.065
  549   2HB   LEU  74          3HB       LEU  74  80.950  16.192  -2.406
  550    HG   LEU  74           HG       LEU  74  80.067  17.874  -1.060
  551   1HD1  LEU  74          HD11      LEU  74  81.173  16.070   0.277
  552   2HD1  LEU  74          HD13      LEU  74  82.585  17.118   0.441
  553   3HD1  LEU  74          HD12      LEU  74  81.041  17.604   1.137
  554   1HD2  LEU  74          HD21      LEU  74  82.509  19.253  -1.786
  555   2HD2  LEU  74          HD23      LEU  74  80.974  19.924  -1.238
  556   3HD2  LEU  74          HD22      LEU  74  82.186  19.424  -0.059
  557    H    TYR  75           HN       TYR  75  84.074  14.144  -2.134
  558    HA   TYR  75           HA       TYR  75  85.539  14.276  -4.514
  559   1HB   TYR  75          2HB       TYR  75  84.019  11.880  -3.435
  560   2HB   TYR  75          3HB       TYR  75  85.297  11.807  -4.650
  561    HD1  TYR  75           HD1      TYR  75  87.648  12.491  -4.039
  562    HD2  TYR  75           HD2      TYR  75  84.507  12.172  -1.126
  563    HE1  TYR  75           HE1      TYR  75  89.337  12.468  -2.220
  564    HE2  TYR  75           HE2      TYR  75  86.191  12.148   0.690
  565    HH   TYR  75           HH       TYR  75  89.685  12.286  -0.041
  566    H    SER  76           HN       SER  76  85.059  13.915  -6.695
  567    HA   SER  76           HA       SER  76  82.544  14.808  -7.654
  568   1HB   SER  76          2HB       SER  76  84.675  13.188  -9.070
  569   2HB   SER  76          3HB       SER  76  83.330  13.990  -9.874
  570    HG   SER  76           HG       SER  76  85.088  15.362  -9.905
  571    H    SER  77           HN       SER  77  83.775  11.449  -7.374
  572    HA   SER  77           HA       SER  77  80.970  10.517  -7.322
  573   1HB   SER  77          2HB       SER  77  81.234   8.961  -9.162
  574   2HB   SER  77          3HB       SER  77  81.639  10.574  -9.744
  575    HG   SER  77           HG       SER  77  83.639   9.959 -10.009
  576    H    LEU  78           HN       LEU  78  80.924   8.092  -6.940
  577    HA   LEU  78           HA       LEU  78  82.617   7.472  -4.700
  578   1HB   LEU  78          2HB       LEU  78  80.198   6.580  -5.642
  579   2HB   LEU  78          3HB       LEU  78  81.254   5.217  -6.018
  580    HG   LEU  78           HG       LEU  78  81.122   6.560  -3.310
  581   1HD1  LEU  78          HD11      LEU  78  79.619   4.245  -4.505
  582   2HD1  LEU  78          HD13      LEU  78  79.985   4.251  -2.779
  583   3HD1  LEU  78          HD12      LEU  78  79.015   5.547  -3.480
  584   1HD2  LEU  78          HD23      LEU  78  82.915   4.662  -4.523
  585   2HD2  LEU  78          HD22      LEU  78  82.956   5.308  -2.881
  586   3HD2  LEU  78          HD21      LEU  78  82.023   3.853  -3.237
  587    H    LYS  79           HN       LYS  79  82.636   6.515  -8.122
  588    HA   LYS  79           HA       LYS  79  84.616   4.473  -7.931
  589   1HB   LYS  79          2HB       LYS  79  83.940   6.418 -10.152
  590   2HB   LYS  79          3HB       LYS  79  85.094   5.097 -10.344
  591   1HG   LYS  79          2HG       LYS  79  83.331   3.476  -9.717
  592   2HG   LYS  79          3HG       LYS  79  82.178   4.803  -9.563
  593   1HD   LYS  79          2HD       LYS  79  82.449   5.373 -11.915
  594   2HD   LYS  79          3HD       LYS  79  83.706   4.149 -12.095
  595   1HE   LYS  79          2HE       LYS  79  81.649   3.209 -12.942
  596   2HE   LYS  79          3HE       LYS  79  82.010   2.415 -11.411
  597   1HZ   LYS  79           HZ2      LYS  79  80.529   4.662 -10.784
  598   2HZ   LYS  79           HZ1      LYS  79  79.752   3.968 -12.125
  599   3HZ   LYS  79           HZ3      LYS  79  80.015   3.044 -10.728
  600    H    GLU  80           HN       GLU  80  84.865   7.990  -8.294
  601    HA   GLU  80           HA       GLU  80  87.740   8.033  -8.492
  602   1HB   GLU  80          2HB       GLU  80  86.218   9.921  -9.166
  603   2HB   GLU  80          3HB       GLU  80  85.917  10.223  -7.455
  604   1HG   GLU  80          2HG       GLU  80  88.233  10.742  -7.056
  605   2HG   GLU  80          3HG       GLU  80  88.694  10.182  -8.665
  606    H    LEU  81           HN       LEU  81  85.439   7.961  -5.839
  607    HA   LEU  81           HA       LEU  81  87.184   8.731  -3.726
  608   1HB   LEU  81          2HB       LEU  81  84.624   8.260  -3.670
  609   2HB   LEU  81          3HB       LEU  81  85.083   6.575  -3.440
  610    HG   LEU  81           HG       LEU  81  84.685   7.727  -1.278
  611   1HD1  LEU  81          HD11      LEU  81  86.620   5.963  -1.827
  612   2HD1  LEU  81          HD13      LEU  81  87.639   7.312  -1.325
  613   3HD1  LEU  81          HD12      LEU  81  86.429   6.661  -0.220
  614   1HD2  LEU  81          HD22      LEU  81  85.716   9.930  -2.380
  615   2HD2  LEU  81          HD21      LEU  81  85.785   9.661  -0.638
  616   3HD2  LEU  81          HD23      LEU  81  87.193   9.317  -1.642
  617    H    VAL  82           HN       VAL  82  86.509   5.520  -5.157
  618    HA   VAL  82           HA       VAL  82  88.333   4.107  -3.448
  619    HB   VAL  82           HB       VAL  82  87.377   3.459  -6.258
  620   1HG1  VAL  82          HG11      VAL  82  88.918   1.875  -4.196
  621   2HG1  VAL  82          HG13      VAL  82  87.983   1.091  -5.469
  622   3HG1  VAL  82          HG12      VAL  82  89.332   2.148  -5.889
  623   1HG2  VAL  82          HG22      VAL  82  86.455   2.526  -3.520
  624   2HG2  VAL  82          HG21      VAL  82  85.580   3.645  -4.565
  625   3HG2  VAL  82          HG23      VAL  82  85.807   1.968  -5.063
  626    H    LEU  83           HN       LEU  83  88.696   5.551  -6.688
  627    HA   LEU  83           HA       LEU  83  91.466   4.832  -7.018
  628   1HB   LEU  83          2HB       LEU  83  89.749   6.995  -8.272
  629   2HB   LEU  83          3HB       LEU  83  91.398   6.637  -8.787
  630    HG   LEU  83           HG       LEU  83  89.503   4.342  -8.588
  631   1HD1  LEU  83          HD13      LEU  83  89.237   6.636 -10.489
  632   2HD1  LEU  83          HD12      LEU  83  89.030   5.007 -11.131
  633   3HD1  LEU  83          HD11      LEU  83  87.991   5.576  -9.825
  634   1HD2  LEU  83          HD22      LEU  83  92.023   4.419  -9.290
  635   2HD2  LEU  83          HD21      LEU  83  90.902   3.431 -10.227
  636   3HD2  LEU  83          HD23      LEU  83  91.393   5.014 -10.826
  637    H    HIS  84           HN       HIS  84  89.846   7.787  -5.845
  638    HA   HIS  84           HA       HIS  84  92.188   9.366  -5.530
  639   1HB   HIS  84          2HB       HIS  84  89.910  10.297  -5.405
  640   2HB   HIS  84          3HB       HIS  84  89.634   9.430  -3.894
  641    HD1  HIS  84           HD1      HIS  84  91.038  10.201  -1.803
  642    HD2  HIS  84           HD2      HIS  84  91.458  12.653  -5.150
  643    HE1  HIS  84           HE1      HIS  84  92.121  12.340  -0.993
  644    H    TYR  85           HN       TYR  85  90.603   7.130  -3.239
  645    HA   TYR  85           HA       TYR  85  92.442   7.694  -1.084
  646   1HB   TYR  85          2HB       TYR  85  90.558   5.394  -1.643
  647   2HB   TYR  85          3HB       TYR  85  91.604   5.419  -0.227
  648    HD1  TYR  85           HD2      TYR  85  90.400   8.630  -1.497
  649    HD2  TYR  85           HD1      TYR  85  89.553   5.416   1.223
  650    HE1  TYR  85           HE2      TYR  85  88.772  10.060  -0.312
  651    HE2  TYR  85           HE1      TYR  85  87.920   6.853   2.409
  652    HH   TYR  85           HH       TYR  85  86.744   8.782   2.288
  653    H    GLN  86           HN       GLN  86  92.582   5.655  -3.898
  654    HA   GLN  86           HA       GLN  86  94.594   3.821  -3.039
  655   1HB   GLN  86          2HB       GLN  86  93.259   3.580  -5.140
  656   2HB   GLN  86          3HB       GLN  86  94.140   4.940  -5.832
  657   1HG   GLN  86          2HG       GLN  86  95.736   2.667  -4.718
  658   2HG   GLN  86          3HG       GLN  86  94.915   2.423  -6.261
  659   1HE2  GLN  86          HE22      GLN  86  97.703   3.960  -7.801
  660   2HE2  GLN  86          HE21      GLN  86  96.739   2.569  -7.672
  661    H    HIS  87           HN       HIS  87  94.781   7.141  -4.283
  662    HA   HIS  87           HA       HIS  87  97.746   7.021  -4.246
  663   1HB   HIS  87          2HB       HIS  87  95.891   9.284  -5.032
  664   2HB   HIS  87          3HB       HIS  87  97.637   9.237  -5.281
  665    HD1  HIS  87           HD1      HIS  87  98.310   6.745  -6.588
  666    HD2  HIS  87           HD2      HIS  87  94.615   8.522  -7.343
  667    HE1  HIS  87           HE1      HIS  87  97.529   5.854  -8.828
  668    H    THR  88           HN       THR  88  95.151   8.101  -2.250
  669    HA   THR  88           HA       THR  88  96.997   9.833  -0.687
  670    HB   THR  88           HB       THR  88  94.624  10.171   0.516
  671    HG1  THR  88           HG1      THR  88  92.984   9.723  -0.772
  672   1HG2  THR  88          HG22      THR  88  95.476  11.416  -2.116
  673   2HG2  THR  88          HG21      THR  88  94.286  12.104  -1.014
  674   3HG2  THR  88          HG23      THR  88  95.966  11.950  -0.507
  675    H    SER  89           HN       SER  89  97.721   9.191   1.284
  676    HA   SER  89           HA       SER  89  97.239   6.467   2.159
  677   1HB   SER  89          2HB       SER  89  99.414   7.495   2.517
  678   2HB   SER  89          3HB       SER  89  98.687   8.789   3.462
  679    HG   SER  89           HG       SER  89  97.927   6.397   4.424
  680    H    LEU  90           HN       LEU  90  95.790   5.761   3.661
  681    HA   LEU  90           HA       LEU  90  93.621   7.421   4.484
  682   1HB   LEU  90          2HB       LEU  90  94.558   4.676   5.256
  683   2HB   LEU  90          3HB       LEU  90  93.263   5.440   6.174
  684    HG   LEU  90           HG       LEU  90  92.116   5.889   3.937
  685   1HD1  LEU  90          HD12      LEU  90  94.264   5.427   2.630
  686   2HD1  LEU  90          HD11      LEU  90  93.959   3.718   2.929
  687   3HD1  LEU  90          HD13      LEU  90  92.800   4.675   2.007
  688   1HD2  LEU  90          HD22      LEU  90  92.575   3.051   4.898
  689   2HD2  LEU  90          HD21      LEU  90  91.268   4.138   5.366
  690   3HD2  LEU  90          HD23      LEU  90  91.334   3.494   3.726
  691    H    VAL  91           HN       VAL  91  96.683   6.705   6.021
  692    HA   VAL  91           HA       VAL  91  97.069   7.042   8.482
  693    HB   VAL  91           HB       VAL  91  98.584   8.242   6.973
  694   1HG1  VAL  91          HG12      VAL  91  96.513   9.549   5.955
  695   2HG1  VAL  91          HG11      VAL  91  96.921  10.728   7.206
  696   3HG1  VAL  91          HG13      VAL  91  98.113  10.289   5.983
  697   1HG2  VAL  91          HG22      VAL  91  98.519   8.597   9.499
  698   2HG2  VAL  91          HG21      VAL  91  99.343   9.841   8.561
  699   3HG2  VAL  91          HG23      VAL  91  97.710  10.129   9.162
  700    H    GLN  92           HN       GLN  92  95.463   9.974   7.229
  701    HA   GLN  92           HA       GLN  92  94.156  11.524   8.433
  702   1HB   GLN  92          2HB       GLN  92  91.946  10.656   8.747
  703   2HB   GLN  92          3HB       GLN  92  92.641   9.826   7.359
  704   1HG   GLN  92          2HG       GLN  92  93.206   7.892   8.804
  705   2HG   GLN  92          3HG       GLN  92  92.495   8.721  10.181
  706   1HE2  GLN  92          HE22      GLN  92  89.239   7.698   9.369
  707   2HE2  GLN  92          HE21      GLN  92  90.318   8.288  10.539
  708    H    HIS  93           HN       HIS  93  92.330  10.681  10.606
  709    HA   HIS  93           HA       HIS  93  93.751  11.566  12.835
  710   1HB   HIS  93          2HB       HIS  93  91.406   9.652  12.724
  711   2HB   HIS  93          3HB       HIS  93  91.953  10.484  14.183
  712    HD1  HIS  93           HD1      HIS  93  89.892  10.956  11.170
  713    HD2  HIS  93           HD2      HIS  93  91.790  13.404  13.956
  714    HE1  HIS  93           HE1      HIS  93  88.888  13.267  10.896
  715    H    ASN  94           HN       ASN  94  94.157  10.161  14.874
  716    HA   ASN  94           HA       ASN  94  95.415   8.468  15.897
  717   1HB   ASN  94          2HB       ASN  94  94.503   6.871  13.477
  718   2HB   ASN  94          3HB       ASN  94  95.218   6.195  14.938
  719   1HD2  ASN  94          HD22      ASN  94  92.213   7.681  16.764
  720   2HD2  ASN  94          HD21      ASN  94  93.831   8.189  16.692
  721    H    ASP  95           HN       ASP  95  95.947   9.392  12.621
  722    HA   ASP  95           HA       ASP  95  97.849   9.547  11.305
  723   1HB   ASP  95          2HB       ASP  95  99.056   9.702  14.079
  724   2HB   ASP  95          3HB       ASP  95  99.985   9.968  12.602
  725    H    SER  96           HN       SER  96  96.875   6.828  12.013
  726    HA   SER  96           HA       SER  96  99.467   5.449  11.556
  727   1HB   SER  96          2HB       SER  96  97.290   4.451  13.409
  728   2HB   SER  96          3HB       SER  96  98.786   3.603  13.028
  729    HG   SER  96           HG       SER  96  98.328   5.818  14.640
  730    H    LEU  97           HN       LEU  97  96.474   6.053  10.301
  731    HA   LEU  97           HA       LEU  97  96.007   3.355   9.220
  732   1HB   LEU  97          2HB       LEU  97  94.754   6.037   8.536
  733   2HB   LEU  97          3HB       LEU  97  94.234   4.484   7.879
  734    HG   LEU  97           HG       LEU  97  94.313   5.146  10.836
  735   1HD1  LEU  97          HD11      LEU  97  92.229   5.480   8.732
  736   2HD1  LEU  97          HD13      LEU  97  91.698   4.809  10.274
  737   3HD1  LEU  97          HD12      LEU  97  92.476   6.390  10.223
  738   1HD2  LEU  97          HD23      LEU  97  93.901   2.707   9.256
  739   2HD2  LEU  97          HD22      LEU  97  94.221   2.882  10.981
  740   3HD2  LEU  97          HD21      LEU  97  92.573   3.031  10.373
  741    H    ASN  98           HN       ASN  98  98.496   3.791   8.657
  742    HA   ASN  98           HA       ASN  98  98.913   5.279   6.188
  743   1HB   ASN  98          2HB       ASN  98 100.654   4.988   7.969
  744   2HB   ASN  98          3HB       ASN  98 100.727   3.274   7.559
  745   1HD2  ASN  98          HD22      ASN  98 102.045   5.939   4.707
  746   2HD2  ASN  98          HD21      ASN  98 100.760   6.392   5.719
  747    H    VAL  99           HN       VAL  99  97.353   4.219   4.824
  748    HA   VAL  99           HA       VAL  99  98.465   1.917   3.412
  749    HB   VAL  99           HB       VAL  99  97.285   0.690   5.128
  750   1HG1  VAL  99          HG11      VAL  99  95.107   2.691   4.555
  751   2HG1  VAL  99          HG13      VAL  99  94.729   1.133   5.286
  752   3HG1  VAL  99          HG12      VAL  99  95.815   2.254   6.109
  753   1HG2  VAL  99          HG21      VAL  99  97.007  -0.106   2.798
  754   2HG2  VAL  99          HG23      VAL  99  95.591  -0.476   3.784
  755   3HG2  VAL  99          HG22      VAL  99  95.548   0.874   2.650
  756    H    THR 100           HN       THR 100  97.328   1.596   1.360
  757    HA   THR 100           HA       THR 100  95.526   3.889   0.683
  758    HB   THR 100           HB       THR 100  96.518   4.007  -1.511
  759    HG1  THR 100           HG1      THR 100  97.511   2.363  -2.320
  760   1HG2  THR 100          HG21      THR 100  97.727   5.087   0.418
  761   2HG2  THR 100          HG23      THR 100  98.793   3.684   0.452
  762   3HG2  THR 100          HG22      THR 100  98.748   4.721  -0.973
  763    H    LEU 101           HN       LEU 101  93.752   3.380  -0.671
  764    HA   LEU 101           HA       LEU 101  92.940   0.563  -0.614
  765   1HB   LEU 101          2HB       LEU 101  91.571   2.958  -1.892
  766   2HB   LEU 101          3HB       LEU 101  90.827   1.393  -1.563
  767    HG   LEU 101           HG       LEU 101  91.845   3.400   0.470
  768   1HD1  LEU 101          HD11      LEU 101  89.108   2.225  -0.107
  769   2HD1  LEU 101          HD13      LEU 101  89.479   3.253   1.274
  770   3HD1  LEU 101          HD12      LEU 101  89.604   3.898  -0.364
  771   1HD2  LEU 101          HD23      LEU 101  91.212   0.499   0.687
  772   2HD2  LEU 101          HD22      LEU 101  92.420   1.448   1.551
  773   3HD2  LEU 101          HD21      LEU 101  90.718   1.551   2.008
  774    H    ALA 102           HN       ALA 102  95.014   0.177  -2.012
  775    HA   ALA 102           HA       ALA 102  94.499   0.713  -4.880
  776   1HB   ALA 102           HB2      ALA 102  96.774   0.950  -3.454
  777   2HB   ALA 102           HB1      ALA 102  96.961  -0.701  -4.044
  778   3HB   ALA 102           HB3      ALA 102  96.750   0.625  -5.188
  779    H    TYR 103           HN       TYR 103  94.463  -2.004  -2.630
  780    HA   TYR 103           HA       TYR 103  94.259  -3.800  -5.013
  781   1HB   TYR 103          2HB       TYR 103  95.098  -4.433  -2.176
  782   2HB   TYR 103          3HB       TYR 103  94.906  -5.630  -3.459
  783    HD1  TYR 103           HD1      TYR 103  96.402  -5.643  -5.418
  784    HD2  TYR 103           HD2      TYR 103  96.967  -2.863  -2.188
  785    HE1  TYR 103           HE1      TYR 103  98.667  -5.107  -6.273
  786    HE2  TYR 103           HE2      TYR 103  99.235  -2.332  -3.045
  787    HH   TYR 103           HH       TYR 103 101.000  -3.818  -4.643
  788    HA   PRO 104           HA       PRO 104  89.934  -4.057  -3.647
  789   1HB   PRO 104          2HB       PRO 104  89.651  -6.034  -5.781
  790   2HB   PRO 104          3HB       PRO 104  88.872  -4.459  -5.603
  791   1HG   PRO 104          2HG       PRO 104  90.797  -5.055  -7.456
  792   2HG   PRO 104          3HG       PRO 104  90.397  -3.425  -6.894
  793   1HD   PRO 104          2HD       PRO 104  92.760  -5.090  -6.271
  794   2HD   PRO 104          3HD       PRO 104  92.558  -3.326  -6.193
  795    H    VAL 105           HN       VAL 105  88.656  -5.815  -2.674
  796    HA   VAL 105           HA       VAL 105  90.334  -7.946  -1.580
  797    HB   VAL 105           HB       VAL 105  88.517  -6.853  -0.252
  798   1HG1  VAL 105          HG11      VAL 105  86.778  -8.335  -2.248
  799   2HG1  VAL 105          HG13      VAL 105  86.179  -7.753  -0.698
  800   3HG1  VAL 105          HG12      VAL 105  86.772  -6.605  -1.900
  801   1HG2  VAL 105          HG22      VAL 105  88.974  -9.728  -0.591
  802   2HG2  VAL 105          HG21      VAL 105  88.876  -8.775   0.890
  803   3HG2  VAL 105          HG23      VAL 105  87.403  -9.367   0.123
  804    H    TYR 106           HN       TYR 106  87.931  -7.651  -4.132
  805    HA   TYR 106           HA       TYR 106  88.018 -10.587  -4.555
  806   1HB   TYR 106          2HB       TYR 106  86.196  -8.417  -5.554
  807   2HB   TYR 106          3HB       TYR 106  86.229 -10.004  -6.321
  808    HD1  TYR 106           HD1      TYR 106  86.141 -12.040  -4.637
  809    HD2  TYR 106           HD2      TYR 106  84.754  -8.076  -3.769
  810    HE1  TYR 106           HE1      TYR 106  84.686 -12.946  -2.847
  811    HE2  TYR 106           HE2      TYR 106  83.296  -8.976  -1.978
  812    HH   TYR 106           HH       TYR 106  82.223 -11.700  -1.685
  813    H    ALA 107           HN       ALA 107  90.303  -8.840  -5.180
  814    HA   ALA 107           HA       ALA 107  90.353  -8.597  -8.089
  815   1HB   ALA 107           HB3      ALA 107  91.981  -7.718  -5.881
  816   2HB   ALA 107           HB2      ALA 107  92.997  -8.546  -7.060
  817   3HB   ALA 107           HB1      ALA 107  92.013  -7.171  -7.559
  818    H    GLN 108           HN       GLN 108  89.974 -11.275  -6.609
  819    HA   GLN 108           HA       GLN 108  92.219 -12.944  -6.928
  820   1HB   GLN 108          2HB       GLN 108  89.987 -13.567  -5.917
  821   2HB   GLN 108          3HB       GLN 108  89.367 -13.741  -7.560
  822   1HG   GLN 108          2HG       GLN 108  91.172 -15.398  -8.026
  823   2HG   GLN 108          3HG       GLN 108  91.682 -15.268  -6.342
  824   1HE2  GLN 108          HE22      GLN 108  88.281 -16.569  -5.355
  825   2HE2  GLN 108          HE21      GLN 108  89.027 -15.054  -5.181
  826    H    GLN 109           HN       GLN 109  93.192 -13.904  -8.705
  827    HA   GLN 109           HA       GLN 109  92.280 -12.961 -11.364
  828   1HB   GLN 109          2HB       GLN 109  94.793 -14.420 -10.500
  829   2HB   GLN 109          3HB       GLN 109  94.457 -13.897 -12.150
  830   1HG   GLN 109          2HG       GLN 109  94.623 -12.067  -9.738
  831   2HG   GLN 109          3HG       GLN 109  95.896 -12.283 -10.938
  832   1HE2  GLN 109          HE22      GLN 109  93.420 -10.902 -13.479
  833   2HE2  GLN 109          HE21      GLN 109  94.033 -12.466 -13.236
  834    H    ARG 110           HN       ARG 110  91.561 -14.366 -12.968
  835    HA   ARG 110           HA       ARG 110  91.093 -17.172 -12.073
  836   1HB   ARG 110          2HB       ARG 110  89.087 -15.838 -12.739
  837   2HB   ARG 110          3HB       ARG 110  89.779 -15.669 -14.353
  838   1HG   ARG 110          2HG       ARG 110  89.735 -18.058 -14.699
  839   2HG   ARG 110          3HG       ARG 110  89.249 -18.340 -13.026
  840   1HD   ARG 110          2HD       ARG 110  87.348 -16.544 -13.955
  841   2HD   ARG 110          3HD       ARG 110  87.606 -17.606 -15.336
  842    HE   ARG 110           HE       ARG 110  86.040 -18.302 -13.142
  843   1HH1  ARG 110          HH21      ARG 110  88.905 -19.489 -14.654
  844   2HH1  ARG 110          HH22      ARG 110  88.705 -21.100 -14.056
  845   1HH2  ARG 110          HH11      ARG 110  85.757 -20.389 -12.373
  846   2HH2  ARG 110          HH12      ARG 110  86.913 -21.615 -12.774
  847    H    ARG 111           HN       ARG 111  92.096 -18.805 -13.134
  848    HA   ARG 111           HA       ARG 111  92.999 -18.484 -15.888
  849   1HB   ARG 111          2HB       ARG 111  94.826 -17.365 -14.644
  850   2HB   ARG 111          3HB       ARG 111  95.061 -18.831 -13.689
  851   1HG   ARG 111          2HG       ARG 111  95.500 -20.087 -15.800
  852   2HG   ARG 111          3HG       ARG 111  95.381 -18.572 -16.695
  853   1HD   ARG 111          2HD       ARG 111  97.729 -19.060 -16.242
  854   2HD   ARG 111          3HD       ARG 111  97.235 -17.652 -15.299
  855    HE   ARG 111           HE       ARG 111  96.793 -19.748 -13.565
  856   1HH1  ARG 111          HH21      ARG 111  99.405 -18.721 -15.555
  857   2HH1  ARG 111          HH22      ARG 111 100.633 -19.278 -14.468
  858   1HH2  ARG 111          HH11      ARG 111  98.377 -20.482 -12.121
  859   2HH2  ARG 111          HH12      ARG 111 100.051 -20.266 -12.515
   
  No H/Q in entry =         859
  Start of MODEL   19
    1   1H    GLU   1           HT1      GLU   1  95.752  -0.486 -18.161
    2   2H    GLU   1           HT3      GLU   1  96.448  -0.869 -19.659
    3   3H    GLU   1           HT2      GLU   1  95.045   0.087 -19.596
    4    HA   GLU   1           HA       GLU   1  94.430  -2.117 -20.261
    5   1HB   GLU   1          2HB       GLU   1  94.883  -4.020 -18.750
    6   2HB   GLU   1          3HB       GLU   1  96.384  -3.279 -19.305
    7   1HG   GLU   1          2HG       GLU   1  96.469  -1.953 -17.194
    8   2HG   GLU   1          3HG       GLU   1  95.024  -2.800 -16.637
    9    H    ASP   2           HN       ASP   2  93.076  -3.704 -18.369
   10    HA   ASP   2           HA       ASP   2  90.989  -1.818 -17.522
   11   1HB   ASP   2          2HB       ASP   2  90.482  -4.073 -18.514
   12   2HB   ASP   2          3HB       ASP   2  91.158  -4.814 -17.064
   13    H    LEU   3           HN       LEU   3  90.938  -0.917 -15.487
   14    HA   LEU   3           HA       LEU   3  92.771  -2.077 -13.464
   15   1HB   LEU   3          2HB       LEU   3  92.741   0.427 -14.099
   16   2HB   LEU   3          3HB       LEU   3  91.235   0.502 -13.184
   17    HG   LEU   3           HG       LEU   3  92.487  -0.551 -11.242
   18   1HD1  LEU   3          HD11      LEU   3  94.620  -0.404 -13.280
   19   2HD1  LEU   3          HD13      LEU   3  95.083   0.239 -11.706
   20   3HD1  LEU   3          HD12      LEU   3  94.513  -1.421 -11.844
   21   1HD2  LEU   3          HD21      LEU   3  93.332   2.142 -12.340
   22   2HD2  LEU   3          HD23      LEU   3  92.026   1.819 -11.201
   23   3HD2  LEU   3          HD22      LEU   3  93.707   1.600 -10.706
   24    HA   PRO   4           HA       PRO   4  89.306  -4.161 -11.514
   25   1HB   PRO   4          2HB       PRO   4  90.893  -3.532  -9.059
   26   2HB   PRO   4          3HB       PRO   4  90.184  -5.074  -9.576
   27   1HG   PRO   4          2HG       PRO   4  92.786  -4.604  -9.804
   28   2HG   PRO   4          3HG       PRO   4  91.900  -5.531 -11.026
   29   1HD   PRO   4          2HD       PRO   4  92.970  -2.763 -11.182
   30   2HD   PRO   4          3HD       PRO   4  92.701  -3.952 -12.476
   31    H    HIS   5           HN       HIS   5  90.434  -0.965 -10.657
   32    HA   HIS   5           HA       HIS   5  88.439  -0.422  -8.662
   33   1HB   HIS   5          2HB       HIS   5  89.974   1.462 -10.475
   34   2HB   HIS   5          3HB       HIS   5  88.961   1.981  -9.128
   35    HD1  HIS   5           HD1      HIS   5  89.829  -0.510  -7.283
   36    HD2  HIS   5           HD2      HIS   5  92.376   2.231  -9.114
   37    HE1  HIS   5           HE1      HIS   5  92.000  -0.566  -5.984
   38    H    HIS   6           HN       HIS   6  88.361  -0.444 -12.155
   39    HA   HIS   6           HA       HIS   6  86.061   1.209 -12.545
   40   1HB   HIS   6          2HB       HIS   6  87.205  -1.068 -14.173
   41   2HB   HIS   6          3HB       HIS   6  85.801  -0.131 -14.692
   42    HD1  HIS   6           HD1      HIS   6  86.400   2.667 -14.233
   43    HD2  HIS   6           HD2      HIS   6  89.448   0.047 -15.339
   44    HE1  HIS   6           HE1      HIS   6  88.258   4.096 -15.188
   45    H    ASP   7           HN       ASP   7  86.336  -2.273 -11.860
   46    HA   ASP   7           HA       ASP   7  83.398  -2.514 -11.959
   47   1HB   ASP   7          2HB       ASP   7  85.591  -4.546 -11.491
   48   2HB   ASP   7          3HB       ASP   7  83.870  -4.936 -11.495
   49    H    GLU   8           HN       GLU   8  82.141  -2.427 -10.149
   50    HA   GLU   8           HA       GLU   8  83.248  -1.794  -7.570
   51   1HB   GLU   8          2HB       GLU   8  80.473  -2.614  -8.443
   52   2HB   GLU   8          3HB       GLU   8  80.867  -2.200  -6.774
   53   1HG   GLU   8          2HG       GLU   8  81.518   0.026  -7.390
   54   2HG   GLU   8          3HG       GLU   8  81.440  -0.363  -9.112
   55    H    LYS   9           HN       LYS   9  82.390  -4.795  -9.096
   56    HA   LYS   9           HA       LYS   9  82.051  -6.438  -6.807
   57   1HB   LYS   9          2HB       LYS   9  82.430  -8.271  -8.291
   58   2HB   LYS   9          3HB       LYS   9  81.644  -7.013  -9.248
   59   1HG   LYS   9          2HG       LYS   9  84.192  -6.272  -9.653
   60   2HG   LYS   9          3HG       LYS   9  84.468  -7.987  -9.356
   61   1HD   LYS   9          2HD       LYS   9  82.980  -8.606 -11.151
   62   2HD   LYS   9          3HD       LYS   9  82.450  -6.937 -11.354
   63   1HE   LYS   9          2HE       LYS   9  84.052  -6.847 -12.966
   64   2HE   LYS   9          3HE       LYS   9  85.172  -6.680 -11.613
   65   1HZ   LYS   9           HZ1      LYS   9  84.912  -9.308 -11.676
   66   2HZ   LYS   9           HZ3      LYS   9  84.640  -8.978 -13.317
   67   3HZ   LYS   9           HZ2      LYS   9  86.088  -8.480 -12.582
   68    H    THR  10           HN       THR  10  84.993  -5.404  -8.466
   69    HA   THR  10           HA       THR  10  86.795  -7.198  -7.210
   70    HB   THR  10           HB       THR  10  88.452  -5.233  -7.656
   71    HG1  THR  10           HG1      THR  10  87.631  -3.575  -8.799
   72   1HG2  THR  10          HG22      THR  10  86.792  -6.668  -9.739
   73   2HG2  THR  10          HG21      THR  10  88.183  -5.678 -10.175
   74   3HG2  THR  10          HG23      THR  10  88.397  -7.095  -9.146
   75    H    TRP  11           HN       TRP  11  85.392  -4.166  -6.068
   76    HA   TRP  11           HA       TRP  11  86.789  -4.639  -3.464
   77   1HB   TRP  11          2HB       TRP  11  86.168  -2.013  -3.326
   78   2HB   TRP  11          3HB       TRP  11  87.704  -2.607  -3.966
   79    HD1  TRP  11           HD1      TRP  11  87.600  -3.166  -6.728
   80    HE1  TRP  11           HE1      TRP  11  86.549  -1.728  -8.581
   81    HE3  TRP  11           HE3      TRP  11  84.441  -0.338  -3.916
   82    HZ2  TRP  11           HZ2      TRP  11  84.618   0.389  -8.827
   83    HZ3  TRP  11           HZ3      TRP  11  83.007   1.386  -4.970
   84    HH2  TRP  11           HH2      TRP  11  83.090   1.752  -7.424
   85    H    ASN  12           HN       ASN  12  83.725  -4.092  -5.059
   86    HA   ASN  12           HA       ASN  12  82.395  -3.491  -2.485
   87   1HB   ASN  12          2HB       ASN  12  81.717  -2.338  -4.621
   88   2HB   ASN  12          3HB       ASN  12  81.115  -3.892  -5.200
   89   1HD2  ASN  12          HD22      ASN  12  78.017  -3.061  -3.717
   90   2HD2  ASN  12          HD21      ASN  12  78.854  -3.430  -5.148
   91    H    VAL  13           HN       VAL  13  81.747  -5.123  -1.198
   92    HA   VAL  13           HA       VAL  13  81.329  -7.802  -2.420
   93    HB   VAL  13           HB       VAL  13  82.840  -7.480  -0.398
   94   1HG1  VAL  13          HG11      VAL  13  80.805  -5.922   0.519
   95   2HG1  VAL  13          HG13      VAL  13  80.454  -7.434   1.355
   96   3HG1  VAL  13          HG12      VAL  13  82.023  -6.653   1.564
   97   1HG2  VAL  13          HG22      VAL  13  81.151  -9.553  -1.074
   98   2HG2  VAL  13          HG21      VAL  13  82.379  -9.631   0.188
   99   3HG2  VAL  13          HG23      VAL  13  80.709  -9.253   0.606
  100    H    GLY  14           HN       GLY  14  79.537  -5.109  -1.574
  101   1HA   GLY  14          2HA       GLY  14  77.198  -4.830  -1.522
  102   2HA   GLY  14          3HA       GLY  14  77.032  -6.559  -1.826
  103    H    SER  15           HN       SER  15  75.525  -7.051  -0.193
  104    HA   SER  15           HA       SER  15  75.999  -6.085   2.540
  105   1HB   SER  15          2HB       SER  15  73.945  -8.018   1.422
  106   2HB   SER  15          3HB       SER  15  74.013  -7.510   3.107
  107    HG   SER  15           HG       SER  15  73.553  -5.933   0.798
  108    H    SER  16           HN       SER  16  77.373  -7.100   3.906
  109    HA   SER  16           HA       SER  16  77.648 -10.060   3.713
  110   1HB   SER  16          2HB       SER  16  79.525  -9.118   2.438
  111   2HB   SER  16          3HB       SER  16  79.947  -8.085   3.800
  112    HG   SER  16           HG       SER  16  79.932 -10.925   3.726
  113    H    ASN  17           HN       ASN  17  78.200 -11.050   5.718
  114    HA   ASN  17           HA       ASN  17  77.533  -9.479   8.075
  115   1HB   ASN  17          2HB       ASN  17  77.009 -11.935   7.800
  116   2HB   ASN  17          3HB       ASN  17  78.731 -12.263   7.980
  117   1HD2  ASN  17          HD22      ASN  17  77.888 -10.329  11.348
  118   2HD2  ASN  17          HD21      ASN  17  78.217  -9.578   9.862
  119    H    ARG  18           HN       ARG  18  78.936  -8.513   9.475
  120    HA   ARG  18           HA       ARG  18  81.604  -7.935   8.690
  121   1HB   ARG  18          2HB       ARG  18  80.091  -7.635  11.279
  122   2HB   ARG  18          3HB       ARG  18  81.799  -7.197  11.172
  123   1HG   ARG  18          2HG       ARG  18  81.398  -5.474   9.646
  124   2HG   ARG  18          3HG       ARG  18  79.899  -6.202   9.074
  125   1HD   ARG  18          2HD       ARG  18  79.645  -4.124  10.539
  126   2HD   ARG  18          3HD       ARG  18  78.701  -5.531  11.011
  127    HE   ARG  18           HE       ARG  18  81.077  -5.754  12.464
  128   1HH1  ARG  18          HH21      ARG  18  78.642  -3.380  11.948
  129   2HH1  ARG  18          HH22      ARG  18  78.759  -2.706  13.539
  130   1HH2  ARG  18          HH11      ARG  18  81.228  -4.910  14.580
  131   2HH2  ARG  18          HH12      ARG  18  80.209  -3.586  15.036
  132    H    ASN  19           HN       ASN  19  80.309 -10.528  10.728
  133    HA   ASN  19           HA       ASN  19  82.800 -11.360  11.851
  134   1HB   ASN  19          2HB       ASN  19  81.748 -13.456  12.319
  135   2HB   ASN  19          3HB       ASN  19  80.460 -12.254  12.426
  136   1HD2  ASN  19          HD22      ASN  19  79.771 -15.241  10.014
  137   2HD2  ASN  19          HD21      ASN  19  80.691 -15.269  11.441
  138    H    LYS  20           HN       LYS  20  81.162 -12.290   8.803
  139    HA   LYS  20           HA       LYS  20  83.229 -14.074   7.913
  140   1HB   LYS  20          2HB       LYS  20  80.923 -13.979   6.935
  141   2HB   LYS  20          3HB       LYS  20  81.341 -12.431   6.197
  142   1HG   LYS  20          2HG       LYS  20  83.164 -13.489   4.945
  143   2HG   LYS  20          3HG       LYS  20  82.825 -15.034   5.728
  144   1HD   LYS  20          2HD       LYS  20  81.042 -15.459   4.396
  145   2HD   LYS  20          3HD       LYS  20  80.470 -13.793   4.479
  146   1HE   LYS  20          2HE       LYS  20  82.145 -13.110   2.826
  147   2HE   LYS  20          3HE       LYS  20  82.781 -14.754   2.766
  148   1HZ   LYS  20           HZ3      LYS  20  80.000 -13.970   2.076
  149   2HZ   LYS  20           HZ2      LYS  20  81.230 -14.298   0.951
  150   3HZ   LYS  20           HZ1      LYS  20  80.652 -15.531   1.967
  151    H    ALA  21           HN       ALA  21  82.678 -10.600   7.468
  152    HA   ALA  21           HA       ALA  21  84.790 -10.095   5.630
  153   1HB   ALA  21           HB1      ALA  21  82.870  -8.561   6.682
  154   2HB   ALA  21           HB3      ALA  21  84.185  -8.092   7.762
  155   3HB   ALA  21           HB2      ALA  21  84.347  -7.860   6.022
  156    H    GLU  22           HN       GLU  22  84.780 -10.372   9.174
  157    HA   GLU  22           HA       GLU  22  87.423  -9.454   9.676
  158   1HB   GLU  22          2HB       GLU  22  85.786 -11.604  11.068
  159   2HB   GLU  22          3HB       GLU  22  87.337 -11.021  11.668
  160   1HG   GLU  22          2HG       GLU  22  86.470  -8.765  11.891
  161   2HG   GLU  22          3HG       GLU  22  84.948  -9.236  11.131
  162    H    ASN  23           HN       ASN  23  86.172 -12.619   8.670
  163    HA   ASN  23           HA       ASN  23  88.638 -14.047   8.722
  164   1HB   ASN  23          2HB       ASN  23  86.173 -14.328   6.987
  165   2HB   ASN  23          3HB       ASN  23  87.538 -15.434   6.883
  166   1HD2  ASN  23          HD22      ASN  23  85.002 -16.716   9.387
  167   2HD2  ASN  23          HD21      ASN  23  84.855 -16.207   7.775
  168    H    LEU  24           HN       LEU  24  87.052 -12.125   6.198
  169    HA   LEU  24           HA       LEU  24  89.085 -12.471   4.204
  170   1HB   LEU  24          2HB       LEU  24  86.986 -10.338   4.654
  171   2HB   LEU  24          3HB       LEU  24  88.013 -10.400   3.218
  172    HG   LEU  24           HG       LEU  24  86.267 -12.690   4.161
  173   1HD1  LEU  24          HD13      LEU  24  85.638 -10.290   2.620
  174   2HD1  LEU  24          HD12      LEU  24  85.295 -11.770   1.723
  175   3HD1  LEU  24          HD11      LEU  24  84.554 -11.502   3.300
  176   1HD2  LEU  24          HD23      LEU  24  88.269 -12.294   2.015
  177   2HD2  LEU  24          HD22      LEU  24  87.729 -13.783   2.794
  178   3HD2  LEU  24          HD21      LEU  24  86.766 -13.064   1.503
  179    H    LEU  25           HN       LEU  25  88.677 -10.238   6.908
  180    HA   LEU  25           HA       LEU  25  91.022  -8.651   6.026
  181   1HB   LEU  25          2HB       LEU  25  89.241  -8.439   8.469
  182   2HB   LEU  25          3HB       LEU  25  90.549  -7.326   8.077
  183    HG   LEU  25           HG       LEU  25  88.500  -7.866   5.970
  184   1HD1  LEU  25          HD13      LEU  25  87.305  -7.454   8.198
  185   2HD1  LEU  25          HD12      LEU  25  88.013  -5.839   8.159
  186   3HD1  LEU  25          HD11      LEU  25  86.906  -6.351   6.884
  187   1HD2  LEU  25          HD23      LEU  25  90.342  -5.636   6.807
  188   2HD2  LEU  25          HD22      LEU  25  90.126  -6.384   5.224
  189   3HD2  LEU  25          HD21      LEU  25  88.916  -5.265   5.838
  190    H    ARG  26           HN       ARG  26  90.511 -11.494   7.659
  191    HA   ARG  26           HA       ARG  26  92.691 -11.114   9.593
  192   1HB   ARG  26          2HB       ARG  26  91.192 -12.455  10.686
  193   2HB   ARG  26          3HB       ARG  26  90.427 -12.963   9.185
  194   1HG   ARG  26          2HG       ARG  26  91.449 -14.882  10.236
  195   2HG   ARG  26          3HG       ARG  26  92.343 -14.490   8.772
  196   1HD   ARG  26          2HD       ARG  26  93.921 -13.138  10.262
  197   2HD   ARG  26          3HD       ARG  26  93.115 -13.883  11.637
  198    HE   ARG  26           HE       ARG  26  93.851 -16.016   9.997
  199   1HH1  ARG  26          HH21      ARG  26  95.344 -13.323  11.525
  200   2HH1  ARG  26          HH22      ARG  26  96.878 -14.104  11.718
  201   1HH2  ARG  26          HH11      ARG  26  95.857 -17.060  10.216
  202   2HH2  ARG  26          HH12      ARG  26  97.171 -16.220  10.967
  203    H    GLY  27           HN       GLY  27  94.750 -11.631   9.072
  204   1HA   GLY  27          2HA       GLY  27  96.564 -12.659   7.990
  205   2HA   GLY  27          3HA       GLY  27  95.439 -13.876   7.384
  206    H    LYS  28           HN       LYS  28  94.801 -10.492   6.800
  207    HA   LYS  28           HA       LYS  28  95.409 -10.974   3.921
  208   1HB   LYS  28          2HB       LYS  28  93.027 -10.324   4.740
  209   2HB   LYS  28          3HB       LYS  28  93.707  -8.719   4.988
  210   1HG   LYS  28          2HG       LYS  28  92.830  -8.604   2.799
  211   2HG   LYS  28          3HG       LYS  28  94.544  -8.919   2.532
  212   1HD   LYS  28          2HD       LYS  28  94.043 -11.344   2.302
  213   2HD   LYS  28          3HD       LYS  28  92.331 -10.997   2.531
  214   1HE   LYS  28          2HE       LYS  28  92.265  -9.672   0.516
  215   2HE   LYS  28          3HE       LYS  28  94.017  -9.785   0.326
  216   1HZ   LYS  28           HZ1      LYS  28  93.100 -12.369   0.576
  217   2HZ   LYS  28           HZ3      LYS  28  92.009 -11.610  -0.477
  218   3HZ   LYS  28           HZ2      LYS  28  93.669 -11.616  -0.837
  219    H    ARG  29           HN       ARG  29  96.813  -9.589   2.864
  220    HA   ARG  29           HA       ARG  29  98.700  -8.107   4.471
  221   1HB   ARG  29          2HB       ARG  29  98.321  -8.205   1.465
  222   2HB   ARG  29          3HB       ARG  29  99.694  -7.455   2.280
  223   1HG   ARG  29          2HG       ARG  29 100.057  -9.725   3.425
  224   2HG   ARG  29          3HG       ARG  29  98.928 -10.379   2.237
  225   1HD   ARG  29          2HD       ARG  29 100.342  -9.583   0.406
  226   2HD   ARG  29          3HD       ARG  29 101.447  -8.835   1.559
  227    HE   ARG  29           HE       ARG  29 101.385 -11.499   2.334
  228   1HH1  ARG  29          HH21      ARG  29 101.914  -9.770  -0.598
  229   2HH1  ARG  29          HH22      ARG  29 103.050 -10.913  -1.231
  230   1HH2  ARG  29          HH11      ARG  29 102.848 -13.031   1.515
  231   2HH2  ARG  29          HH12      ARG  29 103.577 -12.765  -0.035
  232    H    ASP  30           HN       ASP  30  99.085  -5.881   4.523
  233    HA   ASP  30           HA       ASP  30  96.854  -4.130   4.676
  234   1HB   ASP  30          2HB       ASP  30  99.094  -3.818   5.771
  235   2HB   ASP  30          3HB       ASP  30  99.749  -3.371   4.195
  236    H    GLY  31           HN       GLY  31  96.033  -2.604   3.240
  237   1HA   GLY  31          2HA       GLY  31  96.169  -1.291   1.179
  238   2HA   GLY  31          3HA       GLY  31  97.205  -2.547   0.500
  239    H    THR  32           HN       THR  32  95.366  -4.653   1.689
  240    HA   THR  32           HA       THR  32  93.568  -4.733  -0.620
  241    HB   THR  32           HB       THR  32  93.766  -6.624   1.737
  242    HG1  THR  32           HG1      THR  32  95.420  -7.405   0.731
  243   1HG2  THR  32          HG21      THR  32  91.955  -6.408  -0.518
  244   2HG2  THR  32          HG23      THR  32  92.854  -7.923  -0.581
  245   3HG2  THR  32          HG22      THR  32  91.901  -7.521   0.848
  246    H    PHE  33           HN       PHE  33  91.490  -3.895  -0.589
  247    HA   PHE  33           HA       PHE  33  90.153  -3.822   2.060
  248   1HB   PHE  33          2HB       PHE  33  89.821  -1.569   2.116
  249   2HB   PHE  33          3HB       PHE  33  91.314  -1.576   1.186
  250    HD1  PHE  33           HD1      PHE  33  91.028  -1.683  -1.446
  251    HD2  PHE  33           HD2      PHE  33  87.921  -0.570   1.298
  252    HE1  PHE  33           HE1      PHE  33  89.812  -0.516  -3.274
  253    HE2  PHE  33           HE2      PHE  33  86.730   0.595  -0.535
  254    HZ   PHE  33           HZ       PHE  33  87.660   0.616  -2.800
  255    H    LEU  34           HN       LEU  34  87.832  -3.309   1.916
  256    HA   LEU  34           HA       LEU  34  86.613  -4.008  -0.713
  257   1HB   LEU  34          2HB       LEU  34  85.050  -5.562   0.375
  258   2HB   LEU  34          3HB       LEU  34  86.707  -6.091   0.628
  259    HG   LEU  34           HG       LEU  34  85.485  -4.294   2.688
  260   1HD1  LEU  34          HD11      LEU  34  84.578  -7.057   2.044
  261   2HD1  LEU  34          HD13      LEU  34  84.866  -6.699   3.747
  262   3HD1  LEU  34          HD12      LEU  34  83.706  -5.742   2.829
  263   1HD2  LEU  34          HD23      LEU  34  87.480  -6.570   2.626
  264   2HD2  LEU  34          HD22      LEU  34  87.772  -4.881   3.045
  265   3HD2  LEU  34          HD21      LEU  34  86.851  -5.915   4.138
  266    H    VAL  35           HN       VAL  35  84.347  -3.318  -0.871
  267    HA   VAL  35           HA       VAL  35  83.727  -1.096   1.018
  268    HB   VAL  35           HB       VAL  35  82.995  -1.484  -1.900
  269   1HG1  VAL  35          HG11      VAL  35  81.553  -0.087   0.181
  270   2HG1  VAL  35          HG13      VAL  35  82.203   1.074  -0.974
  271   3HG1  VAL  35          HG12      VAL  35  81.157  -0.233  -1.531
  272   1HG2  VAL  35          HG21      VAL  35  84.584   0.586  -0.365
  273   2HG2  VAL  35          HG23      VAL  35  85.213  -0.570  -1.544
  274   3HG2  VAL  35          HG22      VAL  35  84.149   0.737  -2.064
  275    H    ARG  36           HN       ARG  36  81.847  -1.143   2.152
  276    HA   ARG  36           HA       ARG  36  79.800  -3.208   1.431
  277   1HB   ARG  36          2HB       ARG  36  80.904  -2.537   4.169
  278   2HB   ARG  36          3HB       ARG  36  79.419  -3.459   3.918
  279   1HG   ARG  36          2HG       ARG  36  80.704  -5.072   2.536
  280   2HG   ARG  36          3HG       ARG  36  82.176  -4.187   2.928
  281   1HD   ARG  36          2HD       ARG  36  80.345  -5.596   4.877
  282   2HD   ARG  36          3HD       ARG  36  81.988  -6.061   4.453
  283    HE   ARG  36           HE       ARG  36  82.129  -3.406   5.397
  284   1HH1  ARG  36          HH21      ARG  36  81.221  -6.544   6.452
  285   2HH1  ARG  36          HH22      ARG  36  81.502  -6.219   8.130
  286   1HH2  ARG  36          HH11      ARG  36  82.491  -2.929   7.584
  287   2HH2  ARG  36          HH12      ARG  36  82.186  -4.146   8.779
  288    H    GLU  37           HN       GLU  37  77.758  -2.671   2.976
  289    HA   GLU  37           HA       GLU  37  77.260   0.217   2.536
  290   1HB   GLU  37          2HB       GLU  37  74.842  -0.482   2.709
  291   2HB   GLU  37          3HB       GLU  37  75.702  -1.215   1.355
  292   1HG   GLU  37          2HG       GLU  37  75.896  -3.302   2.473
  293   2HG   GLU  37          3HG       GLU  37  75.486  -2.593   4.035
  294    H    SER  38           HN       SER  38  75.582   1.083   4.245
  295    HA   SER  38           HA       SER  38  76.752   0.568   6.891
  296   1HB   SER  38          2HB       SER  38  74.361   2.280   6.104
  297   2HB   SER  38          3HB       SER  38  75.152   2.279   7.680
  298    HG   SER  38           HG       SER  38  76.611   3.550   6.880
  299    H    SER  39           HN       SER  39  75.217  -1.316   5.122
  300    HA   SER  39           HA       SER  39  73.819  -3.119   5.359
  301   1HB   SER  39          2HB       SER  39  75.120  -3.440   7.453
  302   2HB   SER  39          3HB       SER  39  73.984  -2.404   8.310
  303    HG   SER  39           HG       SER  39  73.454  -4.598   8.565
  304    H    LYS  40           HN       LYS  40  71.563  -3.468   5.323
  305    HA   LYS  40           HA       LYS  40  69.296  -2.865   5.308
  306   1HB   LYS  40          2HB       LYS  40  70.138  -1.246   7.735
  307   2HB   LYS  40          3HB       LYS  40  68.481  -1.649   7.293
  308   1HG   LYS  40          2HG       LYS  40  69.094  -4.076   7.428
  309   2HG   LYS  40          3HG       LYS  40  70.681  -3.595   8.036
  310   1HD   LYS  40          2HD       LYS  40  69.704  -2.542   9.971
  311   2HD   LYS  40          3HD       LYS  40  68.076  -2.746   9.324
  312   1HE   LYS  40          2HE       LYS  40  68.116  -4.586  10.691
  313   2HE   LYS  40          3HE       LYS  40  68.863  -5.313   9.269
  314   1HZ   LYS  40           HZ3      LYS  40  71.041  -4.510  10.280
  315   2HZ   LYS  40           HZ2      LYS  40  70.168  -4.306  11.722
  316   3HZ   LYS  40           HZ1      LYS  40  70.287  -5.843  11.012
  317    H    GLN  41           HN       GLN  41  71.217  -1.318   3.754
  318    HA   GLN  41           HA       GLN  41  71.287   0.656   2.495
  319   1HB   GLN  41          2HB       GLN  41  68.916   0.034   2.048
  320   2HB   GLN  41          3HB       GLN  41  68.424   0.953   3.471
  321   1HG   GLN  41          2HG       GLN  41  69.349   3.004   2.480
  322   2HG   GLN  41          3HG       GLN  41  69.883   2.094   1.068
  323   1HE2  GLN  41          HE22      GLN  41  66.539   3.655   0.337
  324   2HE2  GLN  41          HE21      GLN  41  68.054   4.264   0.800
  325    H    GLY  42           HN       GLY  42  71.725   2.890   2.783
  326   1HA   GLY  42          2HA       GLY  42  71.031   4.737   4.621
  327   2HA   GLY  42          3HA       GLY  42  72.068   3.698   5.601
  328    H    CYS  43           HN       CYS  43  74.284   3.177   4.389
  329    HA   CYS  43           HA       CYS  43  75.175   5.331   2.609
  330   1HB   CYS  43          2HB       CYS  43  76.367   5.091   5.389
  331   2HB   CYS  43          3HB       CYS  43  76.971   6.130   4.107
  332    HG   CYS  43           HG       CYS  43  74.739   7.504   4.241
  333    H    TYR  44           HN       TYR  44  77.866   5.033   2.665
  334    HA   TYR  44           HA       TYR  44  78.232   2.098   2.217
  335   1HB   TYR  44          2HB       TYR  44  79.546   4.425   0.779
  336   2HB   TYR  44          3HB       TYR  44  79.831   2.717   0.440
  337    HD1  TYR  44           HD2      TYR  44  77.413   5.488   0.202
  338    HD2  TYR  44           HD1      TYR  44  78.134   1.338  -0.645
  339    HE1  TYR  44           HE2      TYR  44  75.434   5.451  -1.293
  340    HE2  TYR  44           HE1      TYR  44  76.154   1.299  -2.139
  341    HH   TYR  44           HH       TYR  44  74.206   4.235  -2.695
  342    H    ALA  45           HN       ALA  45  80.444   1.297   2.618
  343    HA   ALA  45           HA       ALA  45  82.177   3.033   4.275
  344   1HB   ALA  45           HB1      ALA  45  80.880   0.472   5.226
  345   2HB   ALA  45           HB3      ALA  45  82.318   1.147   5.990
  346   3HB   ALA  45           HB2      ALA  45  80.810   2.064   5.981
  347    H    CYS  46           HN       CYS  46  84.322   2.592   3.855
  348    HA   CYS  46           HA       CYS  46  84.898   0.186   2.203
  349   1HB   CYS  46          2HB       CYS  46  86.982   1.347   1.570
  350   2HB   CYS  46          3HB       CYS  46  85.574   2.348   1.221
  351    HG   CYS  46           HG       CYS  46  87.665   2.897   3.433
  352    H    SER  47           HN       SER  47  85.717  -1.501   3.296
  353    HA   SER  47           HA       SER  47  87.102  -0.997   5.879
  354   1HB   SER  47          2HB       SER  47  86.228  -3.639   4.673
  355   2HB   SER  47          3HB       SER  47  86.743  -3.354   6.333
  356    HG   SER  47           HG       SER  47  84.923  -1.946   6.534
  357    H    VAL  48           HN       VAL  48  89.301  -1.147   5.965
  358    HA   VAL  48           HA       VAL  48  90.672  -2.643   3.772
  359    HB   VAL  48           HB       VAL  48  90.930  -0.235   3.385
  360   1HG1  VAL  48          HG13      VAL  48  91.312  -0.270   6.288
  361   2HG1  VAL  48          HG12      VAL  48  92.521   0.697   5.443
  362   3HG1  VAL  48          HG11      VAL  48  90.805   1.055   5.241
  363   1HG2  VAL  48          HG23      VAL  48  92.895  -1.909   3.148
  364   2HG2  VAL  48          HG22      VAL  48  93.276  -0.186   3.158
  365   3HG2  VAL  48          HG21      VAL  48  93.519  -1.154   4.613
  366    H    VAL  49           HN       VAL  49  92.934  -3.214   4.362
  367    HA   VAL  49           HA       VAL  49  93.112  -3.977   7.250
  368    HB   VAL  49           HB       VAL  49  94.676  -5.206   4.971
  369   1HG1  VAL  49          HG13      VAL  49  95.274  -5.319   7.545
  370   2HG1  VAL  49          HG12      VAL  49  93.985  -6.521   7.574
  371   3HG1  VAL  49          HG11      VAL  49  95.395  -6.765   6.544
  372   1HG2  VAL  49          HG22      VAL  49  91.985  -5.383   5.141
  373   2HG2  VAL  49          HG21      VAL  49  92.992  -6.701   4.549
  374   3HG2  VAL  49          HG23      VAL  49  92.440  -6.697   6.226
  375    H    VAL  50           HN       VAL  50  94.917  -3.255   8.389
  376    HA   VAL  50           HA       VAL  50  96.755  -1.545   6.788
  377    HB   VAL  50           HB       VAL  50  95.761  -1.312   9.634
  378   1HG1  VAL  50          HG11      VAL  50  98.229  -0.319   8.379
  379   2HG1  VAL  50          HG13      VAL  50  97.252   0.946   9.125
  380   3HG1  VAL  50          HG12      VAL  50  97.802  -0.428  10.088
  381   1HG2  VAL  50          HG21      VAL  50  95.498   0.261   7.082
  382   2HG2  VAL  50          HG23      VAL  50  94.213  -0.385   8.098
  383   3HG2  VAL  50          HG22      VAL  50  95.161   0.998   8.647
  384    H    ASP  51           HN       ASP  51  98.959  -1.618   7.229
  385    HA   ASP  51           HA       ASP  51 100.141  -4.092   7.744
  386   1HB   ASP  51          2HB       ASP  51 101.266  -2.045   6.754
  387   2HB   ASP  51          3HB       ASP  51 101.409  -1.420   8.399
  388    H    GLY  52           HN       GLY  52  98.643  -2.002   9.862
  389   1HA   GLY  52          2HA       GLY  52 100.059  -3.125  12.219
  390   2HA   GLY  52          3HA       GLY  52  99.038  -1.689  12.244
  391    H    GLU  53           HN       GLU  53  96.690  -2.520  11.088
  392    HA   GLU  53           HA       GLU  53  95.872  -5.101  12.213
  393   1HB   GLU  53          2HB       GLU  53  94.860  -2.515  13.445
  394   2HB   GLU  53          3HB       GLU  53  94.153  -4.097  13.740
  395   1HG   GLU  53          2HG       GLU  53  96.971  -3.222  14.442
  396   2HG   GLU  53          3HG       GLU  53  95.655  -3.539  15.565
  397    H    VAL  54           HN       VAL  54  93.253  -5.050  12.185
  398    HA   VAL  54           HA       VAL  54  92.531  -4.236   9.416
  399    HB   VAL  54           HB       VAL  54  91.879  -6.475   9.805
  400   1HG1  VAL  54          HG13      VAL  54  90.930  -5.485  12.512
  401   2HG1  VAL  54          HG12      VAL  54  90.578  -7.097  11.890
  402   3HG1  VAL  54          HG11      VAL  54  92.248  -6.613  12.192
  403   1HG2  VAL  54          HG22      VAL  54  90.039  -4.946   8.948
  404   2HG2  VAL  54          HG21      VAL  54  89.464  -6.421   9.725
  405   3HG2  VAL  54          HG23      VAL  54  89.416  -4.891  10.596
  406    H    LYS  55           HN       LYS  55  91.239  -2.456   9.064
  407    HA   LYS  55           HA       LYS  55  89.640  -1.473  11.395
  408   1HB   LYS  55          2HB       LYS  55  91.317   0.135   9.461
  409   2HB   LYS  55          3HB       LYS  55  90.112   0.855  10.530
  410   1HG   LYS  55          2HG       LYS  55  91.920   1.015  11.932
  411   2HG   LYS  55          3HG       LYS  55  91.434  -0.632  12.335
  412   1HD   LYS  55          2HD       LYS  55  93.068  -1.575  10.865
  413   2HD   LYS  55          3HD       LYS  55  93.403  -0.002  10.131
  414   1HE   LYS  55          2HE       LYS  55  94.468   0.812  12.096
  415   2HE   LYS  55          3HE       LYS  55  93.818  -0.493  13.087
  416   1HZ   LYS  55           HZ1      LYS  55  95.146  -1.979  11.463
  417   2HZ   LYS  55           HZ3      LYS  55  96.019  -0.564  11.134
  418   3HZ   LYS  55           HZ2      LYS  55  95.965  -1.179  12.717
  419    H    HIS  56           HN       HIS  56  87.655  -0.495  10.916
  420    HA   HIS  56           HA       HIS  56  86.628  -1.031   8.166
  421   1HB   HIS  56          2HB       HIS  56  85.236  -0.686  10.842
  422   2HB   HIS  56          3HB       HIS  56  84.370  -0.749   9.309
  423    HD1  HIS  56           HD1      HIS  56  85.946  -2.925  11.853
  424    HD2  HIS  56           HD2      HIS  56  84.711  -3.271   7.890
  425    HE1  HIS  56           HE1      HIS  56  85.880  -5.410  11.327
  426    H    CYS  57           HN       CYS  57  87.180   0.923   7.068
  427    HA   CYS  57           HA       CYS  57  86.659   3.495   8.392
  428   1HB   CYS  57          2HB       CYS  57  87.607   2.811   5.598
  429   2HB   CYS  57          3HB       CYS  57  87.401   4.460   6.188
  430    HG   CYS  57           HG       CYS  57  89.177   3.801   8.112
  431    H    VAL  58           HN       VAL  58  84.991   4.940   7.842
  432    HA   VAL  58           HA       VAL  58  82.689   3.634   6.475
  433    HB   VAL  58           HB       VAL  58  82.577   4.416   8.891
  434   1HG1  VAL  58          HG11      VAL  58  83.820   6.564   8.411
  435   2HG1  VAL  58          HG13      VAL  58  82.375   7.144   7.581
  436   3HG1  VAL  58          HG12      VAL  58  82.316   6.782   9.306
  437   1HG2  VAL  58          HG21      VAL  58  80.636   5.501   6.830
  438   2HG2  VAL  58          HG23      VAL  58  80.539   3.950   7.667
  439   3HG2  VAL  58          HG22      VAL  58  80.305   5.451   8.562
  440    H    ILE  59           HN       ILE  59  81.629   4.575   4.776
  441    HA   ILE  59           HA       ILE  59  82.735   7.152   3.758
  442    HB   ILE  59           HB       ILE  59  81.151   5.045   2.249
  443   1HG1  ILE  59          HG12      ILE  59  83.365   4.184   2.877
  444   2HG1  ILE  59          HG11      ILE  59  83.323   4.537   1.152
  445   1HG2  ILE  59          HG22      ILE  59  81.025   7.451   1.471
  446   2HG2  ILE  59          HG21      ILE  59  82.765   7.373   1.197
  447   3HG2  ILE  59          HG23      ILE  59  81.681   6.320   0.287
  448   1HD1  ILE  59          HD13      ILE  59  84.159   6.934   2.090
  449   2HD1  ILE  59          HD12      ILE  59  84.845   5.874   3.321
  450   3HD1  ILE  59          HD11      ILE  59  85.265   5.643   1.624
  451    H    ASN  60           HN       ASN  60  81.327   8.899   3.940
  452    HA   ASN  60           HA       ASN  60  78.479   8.211   4.572
  453   1HB   ASN  60          2HB       ASN  60  80.178  10.554   5.452
  454   2HB   ASN  60          3HB       ASN  60  78.439  10.438   5.739
  455   1HD2  ASN  60          HD22      ASN  60  79.089   7.315   7.734
  456   2HD2  ASN  60          HD21      ASN  60  78.261   7.635   6.288
  457    H    LYS  61           HN       LYS  61  76.996   8.840   3.131
  458    HA   LYS  61           HA       LYS  61  77.775  10.942   1.162
  459   1HB   LYS  61          2HB       LYS  61  77.232   8.677   0.247
  460   2HB   LYS  61          3HB       LYS  61  75.612   8.831   0.928
  461   1HG   LYS  61          2HG       LYS  61  75.233  10.862  -0.422
  462   2HG   LYS  61          3HG       LYS  61  76.850  10.710  -1.106
  463   1HD   LYS  61          2HD       LYS  61  76.263   8.564  -2.119
  464   2HD   LYS  61          3HD       LYS  61  74.669   8.617  -1.364
  465   1HE   LYS  61          2HE       LYS  61  74.111  10.646  -2.616
  466   2HE   LYS  61          3HE       LYS  61  75.721  10.666  -3.337
  467   1HZ   LYS  61           HZ3      LYS  61  74.274   8.179  -3.618
  468   2HZ   LYS  61           HZ2      LYS  61  73.590   9.496  -4.444
  469   3HZ   LYS  61           HZ1      LYS  61  75.195   9.034  -4.756
  470    H    THR  62           HN       THR  62  76.768  12.882   1.426
  471    HA   THR  62           HA       THR  62  73.984  12.889   2.468
  472    HB   THR  62           HB       THR  62  74.500  14.723   4.023
  473    HG1  THR  62           HG1      THR  62  77.212  14.356   3.882
  474   1HG2  THR  62          HG22      THR  62  74.655  12.389   4.810
  475   2HG2  THR  62          HG21      THR  62  76.358  12.356   4.357
  476   3HG2  THR  62          HG23      THR  62  75.809  13.427   5.648
  477    H    ALA  63           HN       ALA  63  72.988  15.125   2.146
  478    HA   ALA  63           HA       ALA  63  72.919  15.950  -0.478
  479   1HB   ALA  63           HB1      ALA  63  71.759  16.854   1.776
  480   2HB   ALA  63           HB3      ALA  63  72.934  18.146   1.545
  481   3HB   ALA  63           HB2      ALA  63  71.753  17.794   0.283
  482    H    THR  64           HN       THR  64  75.523  16.313   1.726
  483    HA   THR  64           HA       THR  64  77.163  17.564  -0.373
  484    HB   THR  64           HB       THR  64  76.826  18.851   2.352
  485    HG1  THR  64           HG1      THR  64  75.451  20.103   1.401
  486   1HG2  THR  64          HG21      THR  64  78.960  18.917   0.464
  487   2HG2  THR  64          HG23      THR  64  78.161  20.486   0.434
  488   3HG2  THR  64          HG22      THR  64  78.795  19.846   1.950
  489    H    GLY  65           HN       GLY  65  77.235  14.949   0.810
  490   1HA   GLY  65          2HA       GLY  65  79.940  15.094   2.019
  491   2HA   GLY  65          3HA       GLY  65  78.691  14.231   2.915
  492    H    TYR  66           HN       TYR  66  80.876  12.867   2.214
  493    HA   TYR  66           HA       TYR  66  79.864  10.686   0.618
  494   1HB   TYR  66          2HB       TYR  66  82.000  12.499  -0.530
  495   2HB   TYR  66          3HB       TYR  66  81.846  10.815  -1.023
  496    HD1  TYR  66           HD1      TYR  66  79.699  10.022  -2.079
  497    HD2  TYR  66           HD2      TYR  66  80.501  14.175  -1.330
  498    HE1  TYR  66           HE1      TYR  66  77.915  10.655  -3.682
  499    HE2  TYR  66           HE2      TYR  66  78.721  14.808  -2.937
  500    HH   TYR  66           HH       TYR  66  76.517  12.468  -4.262
  501    H    GLY  67           HN       GLY  67  82.155  12.299   2.560
  502   1HA   GLY  67          2HA       GLY  67  82.997  10.207   4.153
  503   2HA   GLY  67          3HA       GLY  67  84.107  10.152   2.779
  504    H    PHE  68           HN       PHE  68  85.458  12.031   2.373
  505    HA   PHE  68           HA       PHE  68  85.867  13.659   4.838
  506   1HB   PHE  68          2HB       PHE  68  87.706  13.132   2.485
  507   2HB   PHE  68          3HB       PHE  68  88.107  14.148   3.870
  508    HD1  PHE  68           HD1      PHE  68  87.426  12.902   6.227
  509    HD2  PHE  68           HD2      PHE  68  88.590  10.983   2.565
  510    HE1  PHE  68           HE1      PHE  68  88.135  10.899   7.505
  511    HE2  PHE  68           HE2      PHE  68  89.299   8.976   3.843
  512    HZ   PHE  68           HZ       PHE  68  89.072   8.937   6.314
  513    H    ALA  69           HN       ALA  69  85.708  15.905   4.730
  514    HA   ALA  69           HA       ALA  69  85.082  17.077   2.046
  515   1HB   ALA  69           HB3      ALA  69  83.769  17.734   4.699
  516   2HB   ALA  69           HB2      ALA  69  83.455  18.562   3.173
  517   3HB   ALA  69           HB1      ALA  69  83.021  16.863   3.361
  518    H    GLU  70           HN       GLU  70  87.392  17.049   4.324
  519    HA   GLU  70           HA       GLU  70  87.772  20.006   4.291
  520   1HB   GLU  70          2HB       GLU  70  89.033  17.870   6.028
  521   2HB   GLU  70          3HB       GLU  70  89.426  19.588   6.110
  522   1HG   GLU  70          2HG       GLU  70  87.781  19.494   7.733
  523   2HG   GLU  70          3HG       GLU  70  86.783  19.819   6.317
  524    HA   PRO  71           HA       PRO  71  91.744  18.222   2.359
  525   1HB   PRO  71          2HB       PRO  71  91.732  15.701   1.418
  526   2HB   PRO  71          3HB       PRO  71  91.993  16.047   3.139
  527   1HG   PRO  71          2HG       PRO  71  89.594  14.991   1.768
  528   2HG   PRO  71          3HG       PRO  71  90.186  14.688   3.408
  529   1HD   PRO  71          2HD       PRO  71  88.122  16.495   2.666
  530   2HD   PRO  71          3HD       PRO  71  88.890  16.359   4.264
  531    H    TYR  72           HN       TYR  72  89.176  16.367   0.671
  532    HA   TYR  72           HA       TYR  72  89.779  18.001  -1.761
  533   1HB   TYR  72          2HB       TYR  72  88.912  15.099  -1.562
  534   2HB   TYR  72          3HB       TYR  72  88.973  16.007  -3.071
  535    HD1  TYR  72           HD1      TYR  72  91.015  14.582  -0.317
  536    HD2  TYR  72           HD2      TYR  72  91.080  16.573  -4.127
  537    HE1  TYR  72           HE1      TYR  72  93.442  14.095  -0.536
  538    HE2  TYR  72           HE2      TYR  72  93.498  16.079  -4.344
  539    HH   TYR  72           HH       TYR  72  95.363  15.490  -3.118
  540    H    ASN  73           HN       ASN  73  87.717  18.108   0.575
  541    HA   ASN  73           HA       ASN  73  85.505  18.833   0.804
  542   1HB   ASN  73          2HB       ASN  73  85.739  19.291  -2.189
  543   2HB   ASN  73          3HB       ASN  73  84.478  19.943  -1.144
  544   1HD2  ASN  73          HD22      ASN  73  86.797  22.186   0.550
  545   2HD2  ASN  73          HD21      ASN  73  85.529  21.122   0.924
  546    H    LEU  74           HN       LEU  74  83.953  18.324  -1.995
  547    HA   LEU  74           HA       LEU  74  82.958  15.675  -1.122
  548   1HB   LEU  74          2HB       LEU  74  81.700  17.644  -3.065
  549   2HB   LEU  74          3HB       LEU  74  80.950  16.192  -2.406
  550    HG   LEU  74           HG       LEU  74  80.067  17.874  -1.060
  551   1HD1  LEU  74          HD11      LEU  74  81.173  16.070   0.277
  552   2HD1  LEU  74          HD13      LEU  74  82.585  17.118   0.441
  553   3HD1  LEU  74          HD12      LEU  74  81.041  17.604   1.137
  554   1HD2  LEU  74          HD21      LEU  74  82.509  19.253  -1.786
  555   2HD2  LEU  74          HD23      LEU  74  80.974  19.924  -1.238
  556   3HD2  LEU  74          HD22      LEU  74  82.186  19.424  -0.059
  557    H    TYR  75           HN       TYR  75  84.074  14.144  -2.134
  558    HA   TYR  75           HA       TYR  75  85.539  14.276  -4.514
  559   1HB   TYR  75          2HB       TYR  75  84.019  11.880  -3.435
  560   2HB   TYR  75          3HB       TYR  75  85.297  11.807  -4.650
  561    HD1  TYR  75           HD1      TYR  75  87.648  12.491  -4.039
  562    HD2  TYR  75           HD2      TYR  75  84.507  12.172  -1.126
  563    HE1  TYR  75           HE1      TYR  75  89.337  12.468  -2.220
  564    HE2  TYR  75           HE2      TYR  75  86.191  12.148   0.690
  565    HH   TYR  75           HH       TYR  75  89.685  12.286  -0.041
  566    H    SER  76           HN       SER  76  85.059  13.915  -6.695
  567    HA   SER  76           HA       SER  76  82.544  14.808  -7.654
  568   1HB   SER  76          2HB       SER  76  84.675  13.188  -9.070
  569   2HB   SER  76          3HB       SER  76  83.330  13.990  -9.874
  570    HG   SER  76           HG       SER  76  85.088  15.362  -9.905
  571    H    SER  77           HN       SER  77  83.775  11.449  -7.374
  572    HA   SER  77           HA       SER  77  80.970  10.517  -7.322
  573   1HB   SER  77          2HB       SER  77  81.234   8.961  -9.162
  574   2HB   SER  77          3HB       SER  77  81.639  10.574  -9.744
  575    HG   SER  77           HG       SER  77  83.639   9.959 -10.009
  576    H    LEU  78           HN       LEU  78  80.924   8.092  -6.940
  577    HA   LEU  78           HA       LEU  78  82.617   7.472  -4.700
  578   1HB   LEU  78          2HB       LEU  78  80.198   6.580  -5.642
  579   2HB   LEU  78          3HB       LEU  78  81.254   5.217  -6.018
  580    HG   LEU  78           HG       LEU  78  81.122   6.560  -3.310
  581   1HD1  LEU  78          HD11      LEU  78  79.619   4.245  -4.505
  582   2HD1  LEU  78          HD13      LEU  78  79.985   4.251  -2.779
  583   3HD1  LEU  78          HD12      LEU  78  79.015   5.547  -3.480
  584   1HD2  LEU  78          HD23      LEU  78  82.915   4.662  -4.523
  585   2HD2  LEU  78          HD22      LEU  78  82.956   5.308  -2.881
  586   3HD2  LEU  78          HD21      LEU  78  82.023   3.853  -3.237
  587    H    LYS  79           HN       LYS  79  82.636   6.515  -8.122
  588    HA   LYS  79           HA       LYS  79  84.616   4.473  -7.931
  589   1HB   LYS  79          2HB       LYS  79  83.940   6.418 -10.152
  590   2HB   LYS  79          3HB       LYS  79  85.094   5.097 -10.344
  591   1HG   LYS  79          2HG       LYS  79  83.331   3.476  -9.717
  592   2HG   LYS  79          3HG       LYS  79  82.178   4.803  -9.563
  593   1HD   LYS  79          2HD       LYS  79  82.449   5.373 -11.915
  594   2HD   LYS  79          3HD       LYS  79  83.706   4.149 -12.095
  595   1HE   LYS  79          2HE       LYS  79  81.649   3.209 -12.942
  596   2HE   LYS  79          3HE       LYS  79  82.010   2.415 -11.411
  597   1HZ   LYS  79           HZ2      LYS  79  80.529   4.662 -10.784
  598   2HZ   LYS  79           HZ1      LYS  79  79.752   3.968 -12.125
  599   3HZ   LYS  79           HZ3      LYS  79  80.015   3.044 -10.728
  600    H    GLU  80           HN       GLU  80  84.865   7.990  -8.294
  601    HA   GLU  80           HA       GLU  80  87.740   8.033  -8.492
  602   1HB   GLU  80          2HB       GLU  80  86.218   9.921  -9.166
  603   2HB   GLU  80          3HB       GLU  80  85.917  10.223  -7.455
  604   1HG   GLU  80          2HG       GLU  80  88.233  10.742  -7.056
  605   2HG   GLU  80          3HG       GLU  80  88.694  10.182  -8.665
  606    H    LEU  81           HN       LEU  81  85.439   7.961  -5.839
  607    HA   LEU  81           HA       LEU  81  87.184   8.731  -3.726
  608   1HB   LEU  81          2HB       LEU  81  84.624   8.260  -3.670
  609   2HB   LEU  81          3HB       LEU  81  85.083   6.575  -3.440
  610    HG   LEU  81           HG       LEU  81  84.685   7.727  -1.278
  611   1HD1  LEU  81          HD11      LEU  81  86.620   5.963  -1.827
  612   2HD1  LEU  81          HD13      LEU  81  87.639   7.312  -1.325
  613   3HD1  LEU  81          HD12      LEU  81  86.429   6.661  -0.220
  614   1HD2  LEU  81          HD22      LEU  81  85.716   9.930  -2.380
  615   2HD2  LEU  81          HD21      LEU  81  85.785   9.661  -0.638
  616   3HD2  LEU  81          HD23      LEU  81  87.193   9.317  -1.642
  617    H    VAL  82           HN       VAL  82  86.509   5.520  -5.157
  618    HA   VAL  82           HA       VAL  82  88.333   4.107  -3.448
  619    HB   VAL  82           HB       VAL  82  87.377   3.459  -6.258
  620   1HG1  VAL  82          HG11      VAL  82  88.918   1.875  -4.196
  621   2HG1  VAL  82          HG13      VAL  82  87.983   1.091  -5.469
  622   3HG1  VAL  82          HG12      VAL  82  89.332   2.148  -5.889
  623   1HG2  VAL  82          HG22      VAL  82  86.455   2.526  -3.520
  624   2HG2  VAL  82          HG21      VAL  82  85.580   3.645  -4.565
  625   3HG2  VAL  82          HG23      VAL  82  85.807   1.968  -5.063
  626    H    LEU  83           HN       LEU  83  88.696   5.551  -6.688
  627    HA   LEU  83           HA       LEU  83  91.466   4.832  -7.018
  628   1HB   LEU  83          2HB       LEU  83  89.749   6.995  -8.272
  629   2HB   LEU  83          3HB       LEU  83  91.398   6.637  -8.787
  630    HG   LEU  83           HG       LEU  83  89.503   4.342  -8.588
  631   1HD1  LEU  83          HD13      LEU  83  89.237   6.636 -10.489
  632   2HD1  LEU  83          HD12      LEU  83  89.030   5.007 -11.131
  633   3HD1  LEU  83          HD11      LEU  83  87.991   5.576  -9.825
  634   1HD2  LEU  83          HD22      LEU  83  92.023   4.419  -9.290
  635   2HD2  LEU  83          HD21      LEU  83  90.902   3.431 -10.227
  636   3HD2  LEU  83          HD23      LEU  83  91.393   5.014 -10.826
  637    H    HIS  84           HN       HIS  84  89.846   7.787  -5.845
  638    HA   HIS  84           HA       HIS  84  92.188   9.366  -5.530
  639   1HB   HIS  84          2HB       HIS  84  89.910  10.297  -5.405
  640   2HB   HIS  84          3HB       HIS  84  89.634   9.430  -3.894
  641    HD1  HIS  84           HD1      HIS  84  91.038  10.201  -1.803
  642    HD2  HIS  84           HD2      HIS  84  91.458  12.653  -5.150
  643    HE1  HIS  84           HE1      HIS  84  92.121  12.340  -0.993
  644    H    TYR  85           HN       TYR  85  90.603   7.130  -3.239
  645    HA   TYR  85           HA       TYR  85  92.442   7.694  -1.084
  646   1HB   TYR  85          2HB       TYR  85  90.558   5.394  -1.643
  647   2HB   TYR  85          3HB       TYR  85  91.604   5.419  -0.227
  648    HD1  TYR  85           HD2      TYR  85  90.400   8.630  -1.497
  649    HD2  TYR  85           HD1      TYR  85  89.553   5.416   1.223
  650    HE1  TYR  85           HE2      TYR  85  88.772  10.060  -0.312
  651    HE2  TYR  85           HE1      TYR  85  87.920   6.853   2.409
  652    HH   TYR  85           HH       TYR  85  86.744   8.782   2.288
  653    H    GLN  86           HN       GLN  86  92.582   5.655  -3.898
  654    HA   GLN  86           HA       GLN  86  94.594   3.821  -3.039
  655   1HB   GLN  86          2HB       GLN  86  93.259   3.580  -5.140
  656   2HB   GLN  86          3HB       GLN  86  94.140   4.940  -5.832
  657   1HG   GLN  86          2HG       GLN  86  95.736   2.667  -4.718
  658   2HG   GLN  86          3HG       GLN  86  94.915   2.423  -6.261
  659   1HE2  GLN  86          HE22      GLN  86  97.703   3.960  -7.801
  660   2HE2  GLN  86          HE21      GLN  86  96.739   2.569  -7.672
  661    H    HIS  87           HN       HIS  87  94.781   7.141  -4.283
  662    HA   HIS  87           HA       HIS  87  97.746   7.021  -4.246
  663   1HB   HIS  87          2HB       HIS  87  95.891   9.284  -5.032
  664   2HB   HIS  87          3HB       HIS  87  97.637   9.237  -5.281
  665    HD1  HIS  87           HD1      HIS  87  98.310   6.745  -6.588
  666    HD2  HIS  87           HD2      HIS  87  94.615   8.522  -7.343
  667    HE1  HIS  87           HE1      HIS  87  97.529   5.854  -8.828
  668    H    THR  88           HN       THR  88  95.151   8.101  -2.250
  669    HA   THR  88           HA       THR  88  96.997   9.833  -0.687
  670    HB   THR  88           HB       THR  88  94.624  10.171   0.516
  671    HG1  THR  88           HG1      THR  88  92.984   9.723  -0.772
  672   1HG2  THR  88          HG22      THR  88  95.476  11.416  -2.116
  673   2HG2  THR  88          HG21      THR  88  94.286  12.104  -1.014
  674   3HG2  THR  88          HG23      THR  88  95.966  11.950  -0.507
  675    H    SER  89           HN       SER  89  97.721   9.191   1.284
  676    HA   SER  89           HA       SER  89  97.239   6.467   2.159
  677   1HB   SER  89          2HB       SER  89  99.414   7.495   2.517
  678   2HB   SER  89          3HB       SER  89  98.687   8.789   3.462
  679    HG   SER  89           HG       SER  89  97.927   6.397   4.424
  680    H    LEU  90           HN       LEU  90  95.790   5.761   3.661
  681    HA   LEU  90           HA       LEU  90  93.621   7.421   4.484
  682   1HB   LEU  90          2HB       LEU  90  94.558   4.676   5.256
  683   2HB   LEU  90          3HB       LEU  90  93.263   5.440   6.174
  684    HG   LEU  90           HG       LEU  90  92.116   5.889   3.937
  685   1HD1  LEU  90          HD12      LEU  90  94.264   5.427   2.630
  686   2HD1  LEU  90          HD11      LEU  90  93.959   3.718   2.929
  687   3HD1  LEU  90          HD13      LEU  90  92.800   4.675   2.007
  688   1HD2  LEU  90          HD22      LEU  90  92.575   3.051   4.898
  689   2HD2  LEU  90          HD21      LEU  90  91.268   4.138   5.366
  690   3HD2  LEU  90          HD23      LEU  90  91.334   3.494   3.726
  691    H    VAL  91           HN       VAL  91  96.683   6.705   6.021
  692    HA   VAL  91           HA       VAL  91  97.069   7.042   8.482
  693    HB   VAL  91           HB       VAL  91  98.584   8.242   6.973
  694   1HG1  VAL  91          HG12      VAL  91  96.513   9.549   5.955
  695   2HG1  VAL  91          HG11      VAL  91  96.921  10.728   7.206
  696   3HG1  VAL  91          HG13      VAL  91  98.113  10.289   5.983
  697   1HG2  VAL  91          HG22      VAL  91  98.519   8.597   9.499
  698   2HG2  VAL  91          HG21      VAL  91  99.343   9.841   8.561
  699   3HG2  VAL  91          HG23      VAL  91  97.710  10.129   9.162
  700    H    GLN  92           HN       GLN  92  95.463   9.974   7.229
  701    HA   GLN  92           HA       GLN  92  94.156  11.524   8.433
  702   1HB   GLN  92          2HB       GLN  92  91.946  10.656   8.747
  703   2HB   GLN  92          3HB       GLN  92  92.641   9.826   7.359
  704   1HG   GLN  92          2HG       GLN  92  93.206   7.892   8.804
  705   2HG   GLN  92          3HG       GLN  92  92.495   8.721  10.181
  706   1HE2  GLN  92          HE22      GLN  92  89.239   7.698   9.369
  707   2HE2  GLN  92          HE21      GLN  92  90.318   8.288  10.539
  708    H    HIS  93           HN       HIS  93  92.330  10.681  10.606
  709    HA   HIS  93           HA       HIS  93  93.751  11.566  12.835
  710   1HB   HIS  93          2HB       HIS  93  91.406   9.652  12.724
  711   2HB   HIS  93          3HB       HIS  93  91.953  10.484  14.183
  712    HD1  HIS  93           HD1      HIS  93  89.892  10.956  11.170
  713    HD2  HIS  93           HD2      HIS  93  91.790  13.404  13.956
  714    HE1  HIS  93           HE1      HIS  93  88.888  13.267  10.896
  715    H    ASN  94           HN       ASN  94  94.157  10.161  14.874
  716    HA   ASN  94           HA       ASN  94  95.415   8.468  15.897
  717   1HB   ASN  94          2HB       ASN  94  94.503   6.871  13.477
  718   2HB   ASN  94          3HB       ASN  94  95.218   6.195  14.938
  719   1HD2  ASN  94          HD22      ASN  94  92.213   7.681  16.764
  720   2HD2  ASN  94          HD21      ASN  94  93.831   8.189  16.692
  721    H    ASP  95           HN       ASP  95  95.947   9.392  12.621
  722    HA   ASP  95           HA       ASP  95  97.849   9.547  11.305
  723   1HB   ASP  95          2HB       ASP  95  99.056   9.702  14.079
  724   2HB   ASP  95          3HB       ASP  95  99.985   9.968  12.602
  725    H    SER  96           HN       SER  96  96.875   6.828  12.013
  726    HA   SER  96           HA       SER  96  99.467   5.449  11.556
  727   1HB   SER  96          2HB       SER  96  97.290   4.451  13.409
  728   2HB   SER  96          3HB       SER  96  98.786   3.603  13.028
  729    HG   SER  96           HG       SER  96  98.328   5.818  14.640
  730    H    LEU  97           HN       LEU  97  96.474   6.053  10.301
  731    HA   LEU  97           HA       LEU  97  96.007   3.355   9.220
  732   1HB   LEU  97          2HB       LEU  97  94.754   6.037   8.536
  733   2HB   LEU  97          3HB       LEU  97  94.234   4.484   7.879
  734    HG   LEU  97           HG       LEU  97  94.313   5.146  10.836
  735   1HD1  LEU  97          HD11      LEU  97  92.229   5.480   8.732
  736   2HD1  LEU  97          HD13      LEU  97  91.698   4.809  10.274
  737   3HD1  LEU  97          HD12      LEU  97  92.476   6.390  10.223
  738   1HD2  LEU  97          HD23      LEU  97  93.901   2.707   9.256
  739   2HD2  LEU  97          HD22      LEU  97  94.221   2.882  10.981
  740   3HD2  LEU  97          HD21      LEU  97  92.573   3.031  10.373
  741    H    ASN  98           HN       ASN  98  98.496   3.791   8.657
  742    HA   ASN  98           HA       ASN  98  98.913   5.279   6.188
  743   1HB   ASN  98          2HB       ASN  98 100.654   4.988   7.969
  744   2HB   ASN  98          3HB       ASN  98 100.727   3.274   7.559
  745   1HD2  ASN  98          HD22      ASN  98 102.045   5.939   4.707
  746   2HD2  ASN  98          HD21      ASN  98 100.760   6.392   5.719
  747    H    VAL  99           HN       VAL  99  97.353   4.219   4.824
  748    HA   VAL  99           HA       VAL  99  98.465   1.917   3.412
  749    HB   VAL  99           HB       VAL  99  97.285   0.690   5.128
  750   1HG1  VAL  99          HG11      VAL  99  95.107   2.691   4.555
  751   2HG1  VAL  99          HG13      VAL  99  94.729   1.133   5.286
  752   3HG1  VAL  99          HG12      VAL  99  95.815   2.254   6.109
  753   1HG2  VAL  99          HG21      VAL  99  97.007  -0.106   2.798
  754   2HG2  VAL  99          HG23      VAL  99  95.591  -0.476   3.784
  755   3HG2  VAL  99          HG22      VAL  99  95.548   0.874   2.650
  756    H    THR 100           HN       THR 100  97.328   1.596   1.360
  757    HA   THR 100           HA       THR 100  95.526   3.889   0.683
  758    HB   THR 100           HB       THR 100  96.518   4.007  -1.511
  759    HG1  THR 100           HG1      THR 100  97.511   2.363  -2.320
  760   1HG2  THR 100          HG21      THR 100  97.727   5.087   0.418
  761   2HG2  THR 100          HG23      THR 100  98.793   3.684   0.452
  762   3HG2  THR 100          HG22      THR 100  98.748   4.721  -0.973
  763    H    LEU 101           HN       LEU 101  93.752   3.380  -0.671
  764    HA   LEU 101           HA       LEU 101  92.940   0.563  -0.614
  765   1HB   LEU 101          2HB       LEU 101  91.571   2.958  -1.892
  766   2HB   LEU 101          3HB       LEU 101  90.827   1.393  -1.563
  767    HG   LEU 101           HG       LEU 101  91.845   3.400   0.470
  768   1HD1  LEU 101          HD11      LEU 101  89.108   2.225  -0.107
  769   2HD1  LEU 101          HD13      LEU 101  89.479   3.253   1.274
  770   3HD1  LEU 101          HD12      LEU 101  89.604   3.898  -0.364
  771   1HD2  LEU 101          HD23      LEU 101  91.212   0.499   0.687
  772   2HD2  LEU 101          HD22      LEU 101  92.420   1.448   1.551
  773   3HD2  LEU 101          HD21      LEU 101  90.718   1.551   2.008
  774    H    ALA 102           HN       ALA 102  95.014   0.177  -2.012
  775    HA   ALA 102           HA       ALA 102  94.499   0.713  -4.880
  776   1HB   ALA 102           HB2      ALA 102  96.774   0.950  -3.454
  777   2HB   ALA 102           HB1      ALA 102  96.961  -0.701  -4.044
  778   3HB   ALA 102           HB3      ALA 102  96.750   0.625  -5.188
  779    H    TYR 103           HN       TYR 103  94.463  -2.004  -2.630
  780    HA   TYR 103           HA       TYR 103  94.259  -3.800  -5.013
  781   1HB   TYR 103          2HB       TYR 103  95.098  -4.433  -2.176
  782   2HB   TYR 103          3HB       TYR 103  94.906  -5.630  -3.459
  783    HD1  TYR 103           HD1      TYR 103  96.402  -5.643  -5.418
  784    HD2  TYR 103           HD2      TYR 103  96.967  -2.863  -2.188
  785    HE1  TYR 103           HE1      TYR 103  98.667  -5.107  -6.273
  786    HE2  TYR 103           HE2      TYR 103  99.235  -2.332  -3.045
  787    HH   TYR 103           HH       TYR 103 101.000  -3.818  -4.643
  788    HA   PRO 104           HA       PRO 104  89.934  -4.057  -3.647
  789   1HB   PRO 104          2HB       PRO 104  89.651  -6.034  -5.781
  790   2HB   PRO 104          3HB       PRO 104  88.872  -4.459  -5.603
  791   1HG   PRO 104          2HG       PRO 104  90.797  -5.055  -7.456
  792   2HG   PRO 104          3HG       PRO 104  90.397  -3.425  -6.894
  793   1HD   PRO 104          2HD       PRO 104  92.760  -5.090  -6.271
  794   2HD   PRO 104          3HD       PRO 104  92.558  -3.326  -6.193
  795    H    VAL 105           HN       VAL 105  88.656  -5.815  -2.674
  796    HA   VAL 105           HA       VAL 105  90.334  -7.946  -1.580
  797    HB   VAL 105           HB       VAL 105  88.517  -6.853  -0.252
  798   1HG1  VAL 105          HG11      VAL 105  86.778  -8.335  -2.248
  799   2HG1  VAL 105          HG13      VAL 105  86.179  -7.753  -0.698
  800   3HG1  VAL 105          HG12      VAL 105  86.772  -6.605  -1.900
  801   1HG2  VAL 105          HG22      VAL 105  88.974  -9.728  -0.591
  802   2HG2  VAL 105          HG21      VAL 105  88.876  -8.775   0.890
  803   3HG2  VAL 105          HG23      VAL 105  87.403  -9.367   0.123
  804    H    TYR 106           HN       TYR 106  87.931  -7.651  -4.132
  805    HA   TYR 106           HA       TYR 106  88.018 -10.587  -4.555
  806   1HB   TYR 106          2HB       TYR 106  86.196  -8.417  -5.554
  807   2HB   TYR 106          3HB       TYR 106  86.229 -10.004  -6.321
  808    HD1  TYR 106           HD1      TYR 106  86.141 -12.040  -4.637
  809    HD2  TYR 106           HD2      TYR 106  84.754  -8.076  -3.769
  810    HE1  TYR 106           HE1      TYR 106  84.686 -12.946  -2.847
  811    HE2  TYR 106           HE2      TYR 106  83.296  -8.976  -1.978
  812    HH   TYR 106           HH       TYR 106  82.223 -11.700  -1.685
  813    H    ALA 107           HN       ALA 107  90.303  -8.840  -5.180
  814    HA   ALA 107           HA       ALA 107  90.353  -8.597  -8.089
  815   1HB   ALA 107           HB3      ALA 107  91.981  -7.718  -5.881
  816   2HB   ALA 107           HB2      ALA 107  92.997  -8.546  -7.060
  817   3HB   ALA 107           HB1      ALA 107  92.013  -7.171  -7.559
  818    H    GLN 108           HN       GLN 108  89.974 -11.275  -6.609
  819    HA   GLN 108           HA       GLN 108  92.219 -12.944  -6.928
  820   1HB   GLN 108          2HB       GLN 108  89.987 -13.567  -5.917
  821   2HB   GLN 108          3HB       GLN 108  89.367 -13.741  -7.560
  822   1HG   GLN 108          2HG       GLN 108  91.172 -15.398  -8.026
  823   2HG   GLN 108          3HG       GLN 108  91.682 -15.268  -6.342
  824   1HE2  GLN 108          HE22      GLN 108  88.281 -16.569  -5.355
  825   2HE2  GLN 108          HE21      GLN 108  89.027 -15.054  -5.181
  826    H    GLN 109           HN       GLN 109  93.192 -13.904  -8.705
  827    HA   GLN 109           HA       GLN 109  92.280 -12.961 -11.364
  828   1HB   GLN 109          2HB       GLN 109  94.793 -14.420 -10.500
  829   2HB   GLN 109          3HB       GLN 109  94.457 -13.897 -12.150
  830   1HG   GLN 109          2HG       GLN 109  94.623 -12.067  -9.738
  831   2HG   GLN 109          3HG       GLN 109  95.896 -12.283 -10.938
  832   1HE2  GLN 109          HE22      GLN 109  93.420 -10.902 -13.479
  833   2HE2  GLN 109          HE21      GLN 109  94.033 -12.466 -13.236
  834    H    ARG 110           HN       ARG 110  91.561 -14.366 -12.968
  835    HA   ARG 110           HA       ARG 110  91.093 -17.172 -12.073
  836   1HB   ARG 110          2HB       ARG 110  89.087 -15.838 -12.739
  837   2HB   ARG 110          3HB       ARG 110  89.779 -15.669 -14.353
  838   1HG   ARG 110          2HG       ARG 110  89.735 -18.058 -14.699
  839   2HG   ARG 110          3HG       ARG 110  89.249 -18.340 -13.026
  840   1HD   ARG 110          2HD       ARG 110  87.348 -16.544 -13.955
  841   2HD   ARG 110          3HD       ARG 110  87.606 -17.606 -15.336
  842    HE   ARG 110           HE       ARG 110  86.040 -18.302 -13.142
  843   1HH1  ARG 110          HH21      ARG 110  88.905 -19.489 -14.654
  844   2HH1  ARG 110          HH22      ARG 110  88.705 -21.100 -14.056
  845   1HH2  ARG 110          HH11      ARG 110  85.757 -20.389 -12.373
  846   2HH2  ARG 110          HH12      ARG 110  86.913 -21.615 -12.774
  847    H    ARG 111           HN       ARG 111  92.096 -18.805 -13.134
  848    HA   ARG 111           HA       ARG 111  92.999 -18.484 -15.888
  849   1HB   ARG 111          2HB       ARG 111  94.826 -17.365 -14.644
  850   2HB   ARG 111          3HB       ARG 111  95.061 -18.831 -13.689
  851   1HG   ARG 111          2HG       ARG 111  95.500 -20.087 -15.800
  852   2HG   ARG 111          3HG       ARG 111  95.381 -18.572 -16.695
  853   1HD   ARG 111          2HD       ARG 111  97.729 -19.060 -16.242
  854   2HD   ARG 111          3HD       ARG 111  97.235 -17.652 -15.299
  855    HE   ARG 111           HE       ARG 111  96.793 -19.748 -13.565
  856   1HH1  ARG 111          HH21      ARG 111  99.405 -18.721 -15.555
  857   2HH1  ARG 111          HH22      ARG 111 100.633 -19.278 -14.468
  858   1HH2  ARG 111          HH11      ARG 111  98.377 -20.482 -12.121
  859   2HH2  ARG 111          HH12      ARG 111 100.051 -20.266 -12.515
   
  No H/Q in entry =         859
  Start of MODEL   20
    1   1H    GLU   1           HT1      GLU   1  95.950  -2.330 -17.708
    2   2H    GLU   1           HT3      GLU   1  96.126  -2.196 -19.390
    3   3H    GLU   1           HT2      GLU   1  97.446  -1.872 -18.370
    4    HA   GLU   1           HA       GLU   1  96.730   0.186 -17.818
    5   1HB   GLU   1          2HB       GLU   1  96.871   0.069 -20.320
    6   2HB   GLU   1          3HB       GLU   1  95.134  -0.248 -20.358
    7   1HG   GLU   1          2HG       GLU   1  94.708   1.882 -19.195
    8   2HG   GLU   1          3HG       GLU   1  96.441   2.207 -19.146
    9    H    ASP   2           HN       ASP   2  94.116  -2.067 -18.337
   10    HA   ASP   2           HA       ASP   2  91.977  -0.310 -17.573
   11   1HB   ASP   2          2HB       ASP   2  91.655  -2.477 -18.752
   12   2HB   ASP   2          3HB       ASP   2  92.169  -3.326 -17.297
   13    H    LEU   3           HN       LEU   3  91.344   0.344 -15.552
   14    HA   LEU   3           HA       LEU   3  92.995  -0.529 -13.255
   15   1HB   LEU   3          2HB       LEU   3  90.955   1.692 -13.560
   16   2HB   LEU   3          3HB       LEU   3  91.848   1.364 -12.076
   17    HG   LEU   3           HG       LEU   3  93.894   1.465 -13.866
   18   1HD1  LEU   3          HD12      LEU   3  92.072   2.134 -15.591
   19   2HD1  LEU   3          HD11      LEU   3  92.061   3.690 -14.760
   20   3HD1  LEU   3          HD13      LEU   3  93.541   3.108 -15.526
   21   1HD2  LEU   3          HD23      LEU   3  92.557   3.604 -12.205
   22   2HD2  LEU   3          HD22      LEU   3  94.037   2.710 -11.863
   23   3HD2  LEU   3          HD21      LEU   3  94.030   3.952 -13.113
   24    HA   PRO   4           HA       PRO   4  89.762  -3.432 -12.000
   25   1HB   PRO   4          2HB       PRO   4  90.895  -2.992  -9.294
   26   2HB   PRO   4          3HB       PRO   4  90.673  -4.508 -10.186
   27   1HG   PRO   4          2HG       PRO   4  93.079  -3.358  -9.814
   28   2HG   PRO   4          3HG       PRO   4  92.683  -4.336 -11.235
   29   1HD   PRO   4          2HD       PRO   4  93.032  -1.396 -11.017
   30   2HD   PRO   4          3HD       PRO   4  93.227  -2.465 -12.426
   31    H    HIS   5           HN       HIS   5  90.240  -0.227 -10.910
   32    HA   HIS   5           HA       HIS   5  88.219  -0.076  -8.891
   33   1HB   HIS   5          2HB       HIS   5  89.298   2.054 -10.759
   34   2HB   HIS   5          3HB       HIS   5  88.258   2.374  -9.369
   35    HD1  HIS   5           HD1      HIS   5  89.325   0.856  -7.131
   36    HD2  HIS   5           HD2      HIS   5  91.900   2.488  -9.973
   37    HE1  HIS   5           HE1      HIS   5  91.599   1.011  -6.034
   38    H    HIS   6           HN       HIS   6  88.112   0.077 -12.406
   39    HA   HIS   6           HA       HIS   6  85.466   1.121 -12.676
   40   1HB   HIS   6          2HB       HIS   6  87.064  -0.743 -14.452
   41   2HB   HIS   6          3HB       HIS   6  85.486  -0.098 -14.904
   42    HD1  HIS   6           HD1      HIS   6  85.547   2.765 -14.229
   43    HD2  HIS   6           HD2      HIS   6  88.956   0.841 -15.663
   44    HE1  HIS   6           HE1      HIS   6  87.061   4.577 -15.146
   45    H    ASP   7           HN       ASP   7  86.636  -1.971 -11.652
   46    HA   ASP   7           HA       ASP   7  84.030  -3.274 -12.097
   47   1HB   ASP   7          2HB       ASP   7  86.643  -4.250 -10.913
   48   2HB   ASP   7          3HB       ASP   7  85.198  -5.250 -11.047
   49    H    GLU   8           HN       GLU   8  82.454  -2.872 -10.590
   50    HA   GLU   8           HA       GLU   8  82.987  -1.779  -7.989
   51   1HB   GLU   8          2HB       GLU   8  80.838  -1.536  -9.302
   52   2HB   GLU   8          3HB       GLU   8  80.474  -3.212  -8.893
   53   1HG   GLU   8          2HG       GLU   8  80.191  -2.745  -6.639
   54   2HG   GLU   8          3HG       GLU   8  81.209  -1.304  -6.706
   55    H    LYS   9           HN       LYS   9  82.349  -5.045  -9.159
   56    HA   LYS   9           HA       LYS   9  82.050  -6.310  -6.623
   57   1HB   LYS   9          2HB       LYS   9  82.354  -8.353  -7.805
   58   2HB   LYS   9          3HB       LYS   9  81.591  -7.245  -8.951
   59   1HG   LYS   9          2HG       LYS   9  84.148  -6.634  -9.467
   60   2HG   LYS   9          3HG       LYS   9  84.395  -8.281  -8.893
   61   1HD   LYS   9          2HD       LYS   9  83.743  -9.068 -10.888
   62   2HD   LYS   9          3HD       LYS   9  82.162  -8.328 -10.671
   63   1HE   LYS   9          2HE       LYS   9  83.250  -6.140 -11.457
   64   2HE   LYS   9          3HE       LYS   9  84.608  -7.140 -11.981
   65   1HZ   LYS   9           HZ3      LYS   9  82.180  -8.302 -12.813
   66   2HZ   LYS   9           HZ2      LYS   9  82.229  -6.685 -13.327
   67   3HZ   LYS   9           HZ1      LYS   9  83.475  -7.754 -13.762
   68    H    THR  10           HN       THR  10  84.924  -5.316  -8.394
   69    HA   THR  10           HA       THR  10  86.817  -6.958  -7.069
   70    HB   THR  10           HB       THR  10  88.434  -5.042  -7.655
   71    HG1  THR  10           HG1      THR  10  87.347  -3.680  -9.304
   72   1HG2  THR  10          HG23      THR  10  88.084  -7.041  -9.042
   73   2HG2  THR  10          HG22      THR  10  86.693  -6.272  -9.803
   74   3HG2  THR  10          HG21      THR  10  88.308  -5.609 -10.047
   75    H    TRP  11           HN       TRP  11  85.339  -3.916  -6.041
   76    HA   TRP  11           HA       TRP  11  86.712  -4.289  -3.406
   77   1HB   TRP  11          2HB       TRP  11  86.190  -1.655  -3.362
   78   2HB   TRP  11          3HB       TRP  11  87.681  -2.303  -4.058
   79    HD1  TRP  11           HD1      TRP  11  87.538  -2.875  -6.754
   80    HE1  TRP  11           HE1      TRP  11  86.325  -1.587  -8.628
   81    HE3  TRP  11           HE3      TRP  11  84.336  -0.099  -3.939
   82    HZ2  TRP  11           HZ2      TRP  11  84.261   0.397  -8.883
   83    HZ3  TRP  11           HZ3      TRP  11  82.764   1.486  -5.005
   84    HH2  TRP  11           HH2      TRP  11  82.721   1.740  -7.473
   85    H    ASN  12           HN       ASN  12  83.759  -4.281  -5.016
   86    HA   ASN  12           HA       ASN  12  82.246  -3.256  -2.676
   87   1HB   ASN  12          2HB       ASN  12  81.634  -2.594  -5.023
   88   2HB   ASN  12          3HB       ASN  12  81.155  -4.266  -5.309
   89   1HD2  ASN  12          HD22      ASN  12  78.233  -2.145  -4.087
   90   2HD2  ASN  12          HD21      ASN  12  79.396  -1.865  -5.291
   91    H    VAL  13           HN       VAL  13  81.329  -4.611  -1.219
   92    HA   VAL  13           HA       VAL  13  81.318  -7.524  -1.882
   93    HB   VAL  13           HB       VAL  13  81.223  -6.121   0.802
   94   1HG1  VAL  13          HG12      VAL  13  80.805  -8.937  -0.070
   95   2HG1  VAL  13          HG11      VAL  13  81.754  -8.686   1.396
   96   3HG1  VAL  13          HG13      VAL  13  80.105  -8.067   1.296
   97   1HG2  VAL  13          HG21      VAL  13  83.410  -6.455  -0.769
   98   2HG2  VAL  13          HG23      VAL  13  83.463  -6.492   0.990
   99   3HG2  VAL  13          HG22      VAL  13  83.401  -7.999   0.084
  100    H    GLY  14           HN       GLY  14  79.275  -4.827  -1.453
  101   1HA   GLY  14          2HA       GLY  14  76.920  -4.704  -1.551
  102   2HA   GLY  14          3HA       GLY  14  76.891  -6.453  -1.784
  103    H    SER  15           HN       SER  15  75.130  -6.621  -0.228
  104    HA   SER  15           HA       SER  15  75.408  -5.645   2.472
  105   1HB   SER  15          2HB       SER  15  73.476  -7.083   2.973
  106   2HB   SER  15          3HB       SER  15  73.209  -6.193   1.478
  107    HG   SER  15           HG       SER  15  73.467  -8.001   0.339
  108    H    SER  16           HN       SER  16  76.130  -6.707   4.314
  109    HA   SER  16           HA       SER  16  76.987  -9.511   4.200
  110   1HB   SER  16          2HB       SER  16  79.348  -8.986   4.764
  111   2HB   SER  16          3HB       SER  16  78.914  -8.391   3.165
  112    HG   SER  16           HG       SER  16  79.196  -6.965   5.592
  113    H    ASN  17           HN       ASN  17  77.555 -10.315   6.314
  114    HA   ASN  17           HA       ASN  17  76.315  -8.761   8.500
  115   1HB   ASN  17          2HB       ASN  17  75.862 -11.233   8.171
  116   2HB   ASN  17          3HB       ASN  17  77.542 -11.536   8.621
  117   1HD2  ASN  17          HD22      ASN  17  76.633 -11.566  12.019
  118   2HD2  ASN  17          HD21      ASN  17  77.514 -12.280  10.757
  119    H    ARG  18           HN       ARG  18  79.044  -8.248   7.177
  120    HA   ARG  18           HA       ARG  18  81.148  -7.522   7.898
  121   1HB   ARG  18          2HB       ARG  18  79.487  -7.330  10.407
  122   2HB   ARG  18          3HB       ARG  18  81.208  -6.947  10.434
  123   1HG   ARG  18          2HG       ARG  18  80.952  -5.134   8.955
  124   2HG   ARG  18          3HG       ARG  18  79.406  -5.728   8.350
  125   1HD   ARG  18          2HD       ARG  18  78.273  -4.627   9.949
  126   2HD   ARG  18          3HD       ARG  18  79.288  -5.300  11.223
  127    HE   ARG  18           HE       ARG  18  79.403  -2.624  10.260
  128   1HH1  ARG  18          HH21      ARG  18  81.495  -5.308  10.792
  129   2HH1  ARG  18          HH22      ARG  18  82.917  -4.334  10.957
  130   1HH2  ARG  18          HH11      ARG  18  81.257  -1.340  10.449
  131   2HH2  ARG  18          HH12      ARG  18  82.784  -2.097  10.756
  132    H    ASN  19           HN       ASN  19  79.740 -10.408   9.116
  133    HA   ASN  19           HA       ASN  19  81.931 -11.282  10.774
  134   1HB   ASN  19          2HB       ASN  19  79.647 -12.323  10.773
  135   2HB   ASN  19          3HB       ASN  19  79.999 -12.996   9.180
  136   1HD2  ASN  19          HD22      ASN  19  80.945 -15.484  11.876
  137   2HD2  ASN  19          HD21      ASN  19  79.511 -14.635  11.548
  138    H    LYS  20           HN       LYS  20  81.096 -11.818   7.362
  139    HA   LYS  20           HA       LYS  20  83.433 -13.357   6.714
  140   1HB   LYS  20          2HB       LYS  20  82.828 -12.945   4.415
  141   2HB   LYS  20          3HB       LYS  20  81.316 -13.120   5.313
  142   1HG   LYS  20          2HG       LYS  20  81.337 -10.587   5.595
  143   2HG   LYS  20          3HG       LYS  20  82.646 -10.556   4.416
  144   1HD   LYS  20          2HD       LYS  20  80.487 -10.173   3.305
  145   2HD   LYS  20          3HD       LYS  20  81.185 -11.703   2.774
  146   1HE   LYS  20          2HE       LYS  20  78.638 -11.535   3.551
  147   2HE   LYS  20          3HE       LYS  20  79.609 -12.967   3.897
  148   1HZ   LYS  20           HZ1      LYS  20  80.228 -11.779   6.030
  149   2HZ   LYS  20           HZ3      LYS  20  78.943 -10.724   5.703
  150   3HZ   LYS  20           HZ2      LYS  20  78.645 -12.382   5.923
  151    H    ALA  21           HN       ALA  21  82.778  -9.938   7.059
  152    HA   ALA  21           HA       ALA  21  84.952  -8.882   5.585
  153   1HB   ALA  21           HB2      ALA  21  83.698  -7.867   8.157
  154   2HB   ALA  21           HB1      ALA  21  84.787  -6.931   7.135
  155   3HB   ALA  21           HB3      ALA  21  83.215  -7.436   6.518
  156    H    GLU  22           HN       GLU  22  84.803 -10.049   8.966
  157    HA   GLU  22           HA       GLU  22  87.532  -9.461   9.607
  158   1HB   GLU  22          2HB       GLU  22  85.671 -11.641  10.605
  159   2HB   GLU  22          3HB       GLU  22  87.258 -11.320  11.303
  160   1HG   GLU  22          2HG       GLU  22  84.910  -9.403  11.175
  161   2HG   GLU  22          3HG       GLU  22  85.587 -10.150  12.620
  162    H    ASN  23           HN       ASN  23  85.986 -12.353   8.225
  163    HA   ASN  23           HA       ASN  23  88.356 -13.920   7.940
  164   1HB   ASN  23          2HB       ASN  23  85.748 -13.915   6.402
  165   2HB   ASN  23          3HB       ASN  23  87.013 -15.125   6.176
  166   1HD2  ASN  23          HD22      ASN  23  84.517 -15.448   9.333
  167   2HD2  ASN  23          HD21      ASN  23  84.303 -14.263   8.139
  168    H    LEU  24           HN       LEU  24  86.646 -11.705   5.738
  169    HA   LEU  24           HA       LEU  24  88.531 -11.966   3.574
  170   1HB   LEU  24          2HB       LEU  24  86.567  -9.774   4.306
  171   2HB   LEU  24          3HB       LEU  24  87.525  -9.761   2.829
  172    HG   LEU  24           HG       LEU  24  85.620 -11.988   3.619
  173   1HD1  LEU  24          HD12      LEU  24  84.750  -9.577   2.947
  174   2HD1  LEU  24          HD11      LEU  24  85.173 -10.111   1.320
  175   3HD1  LEU  24          HD13      LEU  24  83.993 -11.017   2.266
  176   1HD2  LEU  24          HD23      LEU  24  87.469 -11.479   1.305
  177   2HD2  LEU  24          HD22      LEU  24  87.138 -12.988   2.156
  178   3HD2  LEU  24          HD21      LEU  24  85.958 -12.344   1.014
  179    H    LEU  25           HN       LEU  25  88.262  -9.843   6.387
  180    HA   LEU  25           HA       LEU  25  90.592  -8.230   5.609
  181   1HB   LEU  25          2HB       LEU  25  88.909  -8.376   8.134
  182   2HB   LEU  25          3HB       LEU  25  90.264  -7.265   7.927
  183    HG   LEU  25           HG       LEU  25  88.007  -7.372   5.925
  184   1HD1  LEU  25          HD11      LEU  25  87.258  -6.866   8.359
  185   2HD1  LEU  25          HD13      LEU  25  88.160  -5.363   8.169
  186   3HD1  LEU  25          HD12      LEU  25  86.802  -5.716   7.101
  187   1HD2  LEU  25          HD21      LEU  25  90.169  -5.402   6.688
  188   2HD2  LEU  25          HD23      LEU  25  89.939  -6.208   5.136
  189   3HD2  LEU  25          HD22      LEU  25  88.807  -4.962   5.657
  190    H    ARG  26           HN       ARG  26  90.042 -11.236   6.942
  191    HA   ARG  26           HA       ARG  26  92.613 -11.239   8.437
  192   1HB   ARG  26          2HB       ARG  26  90.225 -13.090   8.415
  193   2HB   ARG  26          3HB       ARG  26  91.758 -13.551   9.161
  194   1HG   ARG  26          2HG       ARG  26  90.663 -10.877   9.873
  195   2HG   ARG  26          3HG       ARG  26  89.820 -12.281  10.527
  196   1HD   ARG  26          2HD       ARG  26  92.811 -11.858  10.744
  197   2HD   ARG  26          3HD       ARG  26  91.662 -11.426  12.011
  198    HE   ARG  26           HE       ARG  26  91.094 -14.082  11.509
  199   1HH1  ARG  26          HH21      ARG  26  93.901 -12.218  12.180
  200   2HH1  ARG  26          HH22      ARG  26  94.719 -13.490  13.024
  201   1HH2  ARG  26          HH11      ARG  26  92.146 -15.782  12.586
  202   2HH2  ARG  26          HH12      ARG  26  93.720 -15.516  13.258
  203    H    GLY  27           HN       GLY  27  94.347 -12.045   7.395
  204   1HA   GLY  27          2HA       GLY  27  95.481 -13.770   6.131
  205   2HA   GLY  27          3HA       GLY  27  93.939 -14.191   5.385
  206    H    LYS  28           HN       LYS  28  93.898 -10.933   5.317
  207    HA   LYS  28           HA       LYS  28  94.959 -10.898   2.545
  208   1HB   LYS  28          2HB       LYS  28  93.113  -9.032   4.047
  209   2HB   LYS  28          3HB       LYS  28  93.751  -8.670   2.444
  210   1HG   LYS  28          2HG       LYS  28  92.157 -11.155   3.142
  211   2HG   LYS  28          3HG       LYS  28  91.496  -9.720   2.360
  212   1HD   LYS  28          2HD       LYS  28  93.604 -10.180   0.735
  213   2HD   LYS  28          3HD       LYS  28  93.248 -11.834   1.242
  214   1HE   LYS  28          2HE       LYS  28  90.871 -11.493   0.608
  215   2HE   LYS  28          3HE       LYS  28  91.272  -9.872   0.040
  216   1HZ   LYS  28           HZ3      LYS  28  93.005 -11.876  -1.037
  217   2HZ   LYS  28           HZ2      LYS  28  91.378 -12.159  -1.433
  218   3HZ   LYS  28           HZ1      LYS  28  92.107 -10.680  -1.838
  219    H    ARG  29           HN       ARG  29  96.630  -9.594   1.969
  220    HA   ARG  29           HA       ARG  29  98.384  -8.609   4.051
  221   1HB   ARG  29          2HB       ARG  29  98.496  -8.237   1.041
  222   2HB   ARG  29          3HB       ARG  29  99.796  -7.839   2.166
  223   1HG   ARG  29          2HG       ARG  29  98.579 -10.603   1.993
  224   2HG   ARG  29          3HG       ARG  29  99.995 -10.121   1.053
  225   1HD   ARG  29          2HD       ARG  29 100.912  -9.305   3.370
  226   2HD   ARG  29          3HD       ARG  29  99.711 -10.413   4.029
  227    HE   ARG  29           HE       ARG  29 101.067 -11.945   2.156
  228   1HH1  ARG  29          HH21      ARG  29 101.874  -9.964   4.858
  229   2HH1  ARG  29          HH22      ARG  29 103.299 -10.861   5.266
  230   1HH2  ARG  29          HH11      ARG  29 102.942 -13.129   2.670
  231   2HH2  ARG  29          HH12      ARG  29 103.916 -12.634   4.015
  232    H    ASP  30           HN       ASP  30  99.156  -6.333   4.145
  233    HA   ASP  30           HA       ASP  30  97.019  -4.496   4.473
  234   1HB   ASP  30          2HB       ASP  30  98.738  -2.777   4.712
  235   2HB   ASP  30          3HB       ASP  30  99.236  -4.241   5.560
  236    H    GLY  31           HN       GLY  31  96.345  -2.712   3.193
  237   1HA   GLY  31          2HA       GLY  31  96.409  -1.346   1.187
  238   2HA   GLY  31          3HA       GLY  31  97.356  -2.607   0.396
  239    H    THR  32           HN       THR  32  95.510  -4.690   1.558
  240    HA   THR  32           HA       THR  32  93.574  -4.621  -0.627
  241    HB   THR  32           HB       THR  32  93.725  -6.618   1.646
  242    HG1  THR  32           HG1      THR  32  95.424  -7.392   0.705
  243   1HG2  THR  32          HG22      THR  32  92.072  -6.261  -0.725
  244   2HG2  THR  32          HG21      THR  32  92.892  -7.823  -0.731
  245   3HG2  THR  32          HG23      THR  32  91.861  -7.374   0.627
  246    H    PHE  33           HN       PHE  33  91.638  -3.592  -0.436
  247    HA   PHE  33           HA       PHE  33  90.424  -3.546   2.281
  248   1HB   PHE  33          2HB       PHE  33  90.116  -1.294   2.305
  249   2HB   PHE  33          3HB       PHE  33  91.498  -1.298   1.214
  250    HD1  PHE  33           HD1      PHE  33  90.802  -1.746  -1.374
  251    HD2  PHE  33           HD2      PHE  33  88.252  -0.105   1.662
  252    HE1  PHE  33           HE1      PHE  33  89.390  -0.686  -3.115
  253    HE2  PHE  33           HE2      PHE  33  86.844   0.945  -0.098
  254    HZ   PHE  33           HZ       PHE  33  87.408   0.647  -2.466
  255    H    LEU  34           HN       LEU  34  88.076  -3.199   2.224
  256    HA   LEU  34           HA       LEU  34  86.855  -4.110  -0.358
  257   1HB   LEU  34          2HB       LEU  34  85.401  -5.615   0.939
  258   2HB   LEU  34          3HB       LEU  34  87.095  -6.025   1.179
  259    HG   LEU  34           HG       LEU  34  86.239  -4.009   3.083
  260   1HD1  LEU  34          HD13      LEU  34  84.043  -5.121   2.760
  261   2HD1  LEU  34          HD12      LEU  34  84.790  -6.670   3.152
  262   3HD1  LEU  34          HD11      LEU  34  84.700  -5.399   4.373
  263   1HD2  LEU  34          HD22      LEU  34  87.417  -6.794   3.195
  264   2HD2  LEU  34          HD21      LEU  34  88.226  -5.253   3.489
  265   3HD2  LEU  34          HD23      LEU  34  87.053  -5.867   4.652
  266    H    VAL  35           HN       VAL  35  84.386  -3.735  -0.307
  267    HA   VAL  35           HA       VAL  35  83.733  -1.391   1.413
  268    HB   VAL  35           HB       VAL  35  83.227  -1.663  -1.557
  269   1HG1  VAL  35          HG11      VAL  35  82.161   0.272   0.493
  270   2HG1  VAL  35          HG13      VAL  35  82.339   0.741  -1.199
  271   3HG1  VAL  35          HG12      VAL  35  81.277  -0.601  -0.760
  272   1HG2  VAL  35          HG21      VAL  35  85.411  -0.681  -0.123
  273   2HG2  VAL  35          HG23      VAL  35  85.040  -0.338  -1.813
  274   3HG2  VAL  35          HG22      VAL  35  84.492   0.764  -0.551
  275    H    ARG  36           HN       ARG  36  81.824  -1.569   2.477
  276    HA   ARG  36           HA       ARG  36  79.774  -3.489   1.427
  277   1HB   ARG  36          2HB       ARG  36  80.667  -3.124   4.307
  278   2HB   ARG  36          3HB       ARG  36  79.234  -4.029   3.824
  279   1HG   ARG  36          2HG       ARG  36  80.472  -5.709   2.800
  280   2HG   ARG  36          3HG       ARG  36  81.896  -4.685   2.610
  281   1HD   ARG  36          2HD       ARG  36  80.805  -5.740   5.238
  282   2HD   ARG  36          3HD       ARG  36  82.262  -6.315   4.420
  283    HE   ARG  36           HE       ARG  36  82.712  -3.610   4.709
  284   1HH1  ARG  36          HH21      ARG  36  81.820  -6.223   6.780
  285   2HH1  ARG  36          HH22      ARG  36  82.569  -5.534   8.181
  286   1HH2  ARG  36          HH11      ARG  36  83.680  -2.704   6.520
  287   2HH2  ARG  36          HH12      ARG  36  83.613  -3.538   8.037
  288    H    GLU  37           HN       GLU  37  78.072  -2.826   3.810
  289    HA   GLU  37           HA       GLU  37  77.286  -0.114   2.877
  290   1HB   GLU  37          2HB       GLU  37  75.680  -2.191   4.406
  291   2HB   GLU  37          3HB       GLU  37  75.069  -0.642   3.829
  292   1HG   GLU  37          2HG       GLU  37  76.187  -2.825   2.053
  293   2HG   GLU  37          3HG       GLU  37  74.470  -2.525   2.318
  294    H    SER  38           HN       SER  38  76.206   1.147   4.830
  295    HA   SER  38           HA       SER  38  78.217   1.188   6.965
  296   1HB   SER  38          2HB       SER  38  76.815   3.025   7.879
  297   2HB   SER  38          3HB       SER  38  77.232   3.295   6.193
  298    HG   SER  38           HG       SER  38  74.795   2.420   7.320
  299    H    SER  39           HN       SER  39  75.914  -0.784   6.167
  300    HA   SER  39           HA       SER  39  75.249  -2.666   7.470
  301   1HB   SER  39          2HB       SER  39  75.175  -2.616   9.837
  302   2HB   SER  39          3HB       SER  39  76.549  -1.590   9.443
  303    HG   SER  39           HG       SER  39  74.674  -0.884  10.959
  304    H    LYS  40           HN       LYS  40  73.586  -0.256   9.434
  305    HA   LYS  40           HA       LYS  40  71.124  -0.744   7.800
  306   1HB   LYS  40          2HB       LYS  40  69.841  -0.586   9.906
  307   2HB   LYS  40          3HB       LYS  40  71.029  -1.887   9.992
  308   1HG   LYS  40          2HG       LYS  40  72.327  -0.796  11.538
  309   2HG   LYS  40          3HG       LYS  40  71.935   0.801  10.908
  310   1HD   LYS  40          2HD       LYS  40  69.734   0.722  11.937
  311   2HD   LYS  40          3HD       LYS  40  70.008  -0.940  12.469
  312   1HE   LYS  40          2HE       LYS  40  71.916   1.251  13.262
  313   2HE   LYS  40          3HE       LYS  40  70.430   0.988  14.175
  314   1HZ   LYS  40           HZ2      LYS  40  71.223  -1.472  14.118
  315   2HZ   LYS  40           HZ1      LYS  40  72.752  -0.782  13.849
  316   3HZ   LYS  40           HZ3      LYS  40  71.884  -0.395  15.254
  317    H    GLN  41           HN       GLN  41  73.353   1.534   8.601
  318    HA   GLN  41           HA       GLN  41  71.553   3.759   9.170
  319   1HB   GLN  41          2HB       GLN  41  74.491   3.620   8.450
  320   2HB   GLN  41          3HB       GLN  41  73.646   5.129   8.804
  321   1HG   GLN  41          2HG       GLN  41  72.965   4.204  11.006
  322   2HG   GLN  41          3HG       GLN  41  73.883   2.741  10.657
  323   1HE2  GLN  41          HE22      GLN  41  76.168   6.143  11.008
  324   2HE2  GLN  41          HE21      GLN  41  74.744   6.199  10.086
  325    H    GLY  42           HN       GLY  42  72.573   2.113   6.360
  326   1HA   GLY  42          2HA       GLY  42  71.665   2.494   4.180
  327   2HA   GLY  42          3HA       GLY  42  71.181   4.112   4.690
  328    H    CYS  43           HN       CYS  43  74.146   4.139   5.850
  329    HA   CYS  43           HA       CYS  43  75.257   5.431   3.441
  330   1HB   CYS  43          2HB       CYS  43  76.241   5.215   6.299
  331   2HB   CYS  43          3HB       CYS  43  77.146   6.028   5.023
  332    HG   CYS  43           HG       CYS  43  75.104   7.699   4.770
  333    H    TYR  44           HN       TYR  44  77.806   4.948   3.193
  334    HA   TYR  44           HA       TYR  44  78.022   1.966   3.051
  335   1HB   TYR  44          2HB       TYR  44  79.369   4.107   1.379
  336   2HB   TYR  44          3HB       TYR  44  79.681   2.379   1.230
  337    HD1  TYR  44           HD1      TYR  44  77.925   0.848   0.370
  338    HD2  TYR  44           HD2      TYR  44  77.319   5.096   0.585
  339    HE1  TYR  44           HE1      TYR  44  75.972   0.648  -1.148
  340    HE2  TYR  44           HE2      TYR  44  75.374   4.889  -0.935
  341    HH   TYR  44           HH       TYR  44  74.748   2.194  -2.779
  342    H    ALA  45           HN       ALA  45  80.084   1.006   3.559
  343    HA   ALA  45           HA       ALA  45  82.065   2.747   4.915
  344   1HB   ALA  45           HB3      ALA  45  80.748   0.327   6.184
  345   2HB   ALA  45           HB2      ALA  45  82.139   1.181   6.852
  346   3HB   ALA  45           HB1      ALA  45  80.583   2.001   6.720
  347    H    CYS  46           HN       CYS  46  84.133   2.051   4.442
  348    HA   CYS  46           HA       CYS  46  84.369  -0.657   3.224
  349   1HB   CYS  46          2HB       CYS  46  86.119   0.165   1.802
  350   2HB   CYS  46          3HB       CYS  46  84.817   1.348   1.707
  351    HG   CYS  46           HG       CYS  46  86.558   2.970   2.412
  352    H    SER  47           HN       SER  47  85.797  -2.028   4.088
  353    HA   SER  47           HA       SER  47  87.289  -1.072   6.465
  354   1HB   SER  47          2HB       SER  47  86.585  -3.851   5.498
  355   2HB   SER  47          3HB       SER  47  87.568  -3.529   6.923
  356    HG   SER  47           HG       SER  47  84.924  -2.587   6.464
  357    H    VAL  48           HN       VAL  48  89.530  -1.376   6.655
  358    HA   VAL  48           HA       VAL  48  90.918  -2.303   4.176
  359    HB   VAL  48           HB       VAL  48  91.700   0.027   5.955
  360   1HG1  VAL  48          HG11      VAL  48  93.085  -1.553   3.901
  361   2HG1  VAL  48          HG13      VAL  48  93.188   0.188   3.669
  362   3HG1  VAL  48          HG12      VAL  48  93.748  -0.534   5.177
  363   1HG2  VAL  48          HG23      VAL  48  89.760   0.022   4.019
  364   2HG2  VAL  48          HG22      VAL  48  90.719   1.435   4.458
  365   3HG2  VAL  48          HG21      VAL  48  91.192   0.446   3.078
  366    H    VAL  49           HN       VAL  49  93.152  -3.054   4.655
  367    HA   VAL  49           HA       VAL  49  93.413  -3.995   7.481
  368    HB   VAL  49           HB       VAL  49  94.396  -5.341   4.961
  369   1HG1  VAL  49          HG13      VAL  49  94.970  -5.702   7.827
  370   2HG1  VAL  49          HG12      VAL  49  94.500  -7.185   6.996
  371   3HG1  VAL  49          HG11      VAL  49  95.880  -6.250   6.420
  372   1HG2  VAL  49          HG22      VAL  49  91.914  -5.369   5.378
  373   2HG2  VAL  49          HG21      VAL  49  92.659  -6.967   5.351
  374   3HG2  VAL  49          HG23      VAL  49  92.236  -6.216   6.891
  375    H    VAL  50           HN       VAL  50  95.237  -3.263   8.487
  376    HA   VAL  50           HA       VAL  50  97.431  -2.328   6.703
  377    HB   VAL  50           HB       VAL  50  96.139  -0.440   7.718
  378   1HG1  VAL  50          HG13      VAL  50  95.669  -1.696   9.849
  379   2HG1  VAL  50          HG12      VAL  50  97.348  -1.437  10.307
  380   3HG1  VAL  50          HG11      VAL  50  96.269  -0.059  10.094
  381   1HG2  VAL  50          HG21      VAL  50  98.854  -0.783   7.381
  382   2HG2  VAL  50          HG23      VAL  50  98.073   0.753   7.757
  383   3HG2  VAL  50          HG22      VAL  50  98.757  -0.225   9.053
  384    H    ASP  51           HN       ASP  51  99.524  -2.415   7.635
  385    HA   ASP  51           HA       ASP  51 100.243  -4.823   8.789
  386   1HB   ASP  51          2HB       ASP  51 101.635  -2.141   8.884
  387   2HB   ASP  51          3HB       ASP  51 102.387  -3.636   9.454
  388    H    GLY  52           HN       GLY  52  98.841  -2.144  10.298
  389   1HA   GLY  52          2HA       GLY  52  99.765  -2.907  12.977
  390   2HA   GLY  52          3HA       GLY  52  98.642  -1.596  12.613
  391    H    GLU  53           HN       GLU  53  96.534  -2.623  11.427
  392    HA   GLU  53           HA       GLU  53  95.753  -5.229  12.459
  393   1HB   GLU  53          2HB       GLU  53  93.940  -4.419  13.957
  394   2HB   GLU  53          3HB       GLU  53  95.548  -4.018  14.561
  395   1HG   GLU  53          2HG       GLU  53  95.339  -1.742  13.680
  396   2HG   GLU  53          3HG       GLU  53  93.760  -2.137  12.993
  397    H    VAL  54           HN       VAL  54  93.028  -4.956  12.509
  398    HA   VAL  54           HA       VAL  54  92.444  -4.372   9.660
  399    HB   VAL  54           HB       VAL  54  90.904  -5.823  11.835
  400   1HG1  VAL  54          HG13      VAL  54  90.181  -5.073   9.007
  401   2HG1  VAL  54          HG12      VAL  54  89.485  -6.500   9.778
  402   3HG1  VAL  54          HG11      VAL  54  89.216  -4.903  10.473
  403   1HG2  VAL  54          HG22      VAL  54  92.552  -6.643   9.450
  404   2HG2  VAL  54          HG21      VAL  54  92.617  -7.258  11.103
  405   3HG2  VAL  54          HG23      VAL  54  91.272  -7.697  10.050
  406    H    LYS  55           HN       LYS  55  91.235  -2.558   9.096
  407    HA   LYS  55           HA       LYS  55  89.897  -1.108  11.350
  408   1HB   LYS  55          2HB       LYS  55  91.371  -0.056   8.936
  409   2HB   LYS  55          3HB       LYS  55  90.205   0.942   9.804
  410   1HG   LYS  55          2HG       LYS  55  92.181   1.483  10.925
  411   2HG   LYS  55          3HG       LYS  55  91.563   0.173  11.929
  412   1HD   LYS  55          2HD       LYS  55  92.976  -1.438  10.721
  413   2HD   LYS  55          3HD       LYS  55  93.583  -0.137   9.695
  414   1HE   LYS  55          2HE       LYS  55  93.805   0.022  12.703
  415   2HE   LYS  55          3HE       LYS  55  95.026  -0.809  11.740
  416   1HZ   LYS  55           HZ1      LYS  55  94.447   1.660  10.545
  417   2HZ   LYS  55           HZ3      LYS  55  94.764   1.927  12.190
  418   3HZ   LYS  55           HZ2      LYS  55  95.912   1.132  11.223
  419    H    HIS  56           HN       HIS  56  87.946   0.062  10.826
  420    HA   HIS  56           HA       HIS  56  86.502  -1.016   8.438
  421   1HB   HIS  56          2HB       HIS  56  85.479  -0.455  11.229
  422   2HB   HIS  56          3HB       HIS  56  84.408  -0.653   9.845
  423    HD1  HIS  56           HD1      HIS  56  85.956  -2.982   8.434
  424    HD2  HIS  56           HD2      HIS  56  84.969  -2.889  12.480
  425    HE1  HIS  56           HE1      HIS  56  85.877  -5.392   9.211
  426    H    CYS  57           HN       CYS  57  87.561   1.053   7.533
  427    HA   CYS  57           HA       CYS  57  86.820   3.642   8.445
  428   1HB   CYS  57          2HB       CYS  57  87.421   2.724   5.619
  429   2HB   CYS  57          3HB       CYS  57  87.414   4.400   6.168
  430    HG   CYS  57           HG       CYS  57  89.415   3.754   7.794
  431    H    VAL  58           HN       VAL  58  85.111   4.982   7.943
  432    HA   VAL  58           HA       VAL  58  82.706   3.626   6.838
  433    HB   VAL  58           HB       VAL  58  82.737   4.715   9.146
  434   1HG1  VAL  58          HG13      VAL  58  83.966   6.770   7.908
  435   2HG1  VAL  58          HG12      VAL  58  82.298   7.334   7.804
  436   3HG1  VAL  58          HG11      VAL  58  83.010   6.980   9.378
  437   1HG2  VAL  58          HG21      VAL  58  80.675   4.239   7.687
  438   2HG2  VAL  58          HG23      VAL  58  80.481   5.466   8.939
  439   3HG2  VAL  58          HG22      VAL  58  80.718   5.950   7.259
  440    H    ILE  59           HN       ILE  59  81.568   4.502   5.106
  441    HA   ILE  59           HA       ILE  59  82.829   6.843   3.735
  442    HB   ILE  59           HB       ILE  59  81.230   4.580   2.494
  443   1HG1  ILE  59          HG12      ILE  59  83.390   3.752   3.279
  444   2HG1  ILE  59          HG11      ILE  59  83.439   3.913   1.523
  445   1HG2  ILE  59          HG23      ILE  59  81.368   7.015   1.486
  446   2HG2  ILE  59          HG22      ILE  59  82.987   6.505   1.007
  447   3HG2  ILE  59          HG21      ILE  59  81.575   5.615   0.436
  448   1HD1  ILE  59          HD13      ILE  59  84.345   6.325   2.054
  449   2HD1  ILE  59          HD12      ILE  59  84.759   5.614   3.615
  450   3HD1  ILE  59          HD11      ILE  59  85.440   4.945   2.133
  451    H    ASN  60           HN       ASN  60  81.374   8.549   3.162
  452    HA   ASN  60           HA       ASN  60  78.566   8.102   4.126
  453   1HB   ASN  60          2HB       ASN  60  80.207  10.651   4.056
  454   2HB   ASN  60          3HB       ASN  60  78.504  10.573   4.506
  455   1HD2  ASN  60          HD22      ASN  60  79.753   8.179   7.259
  456   2HD2  ASN  60          HD21      ASN  60  79.025   7.823   5.768
  457    H    LYS  61           HN       LYS  61  76.954   8.312   2.653
  458    HA   LYS  61           HA       LYS  61  77.662   9.122  -0.101
  459   1HB   LYS  61          2HB       LYS  61  76.294   7.070   0.374
  460   2HB   LYS  61          3HB       LYS  61  75.020   8.118   0.996
  461   1HG   LYS  61          2HG       LYS  61  75.198   9.342  -1.281
  462   2HG   LYS  61          3HG       LYS  61  76.053   7.897  -1.825
  463   1HD   LYS  61          2HD       LYS  61  74.056   6.579  -0.850
  464   2HD   LYS  61          3HD       LYS  61  73.215   8.125  -0.823
  465   1HE   LYS  61          2HE       LYS  61  73.463   8.393  -3.201
  466   2HE   LYS  61          3HE       LYS  61  74.551   7.009  -3.299
  467   1HZ   LYS  61           HZ1      LYS  61  71.694   6.912  -2.488
  468   2HZ   LYS  61           HZ3      LYS  61  72.311   6.424  -3.989
  469   3HZ   LYS  61           HZ2      LYS  61  72.744   5.578  -2.581
  470    H    THR  62           HN       THR  62  77.375  11.208  -0.720
  471    HA   THR  62           HA       THR  62  74.929  12.646  -0.019
  472    HB   THR  62           HB       THR  62  77.594  13.736   0.910
  473    HG1  THR  62           HG1      THR  62  76.898  13.277   2.922
  474   1HG2  THR  62          HG23      THR  62  74.894  14.884   0.540
  475   2HG2  THR  62          HG22      THR  62  75.689  15.278   2.063
  476   3HG2  THR  62          HG21      THR  62  76.467  15.682   0.533
  477    H    ALA  63           HN       ALA  63  74.917  14.817  -1.140
  478    HA   ALA  63           HA       ALA  63  75.748  14.550  -3.853
  479   1HB   ALA  63           HB3      ALA  63  74.923  16.979  -2.230
  480   2HB   ALA  63           HB2      ALA  63  75.221  17.033  -3.967
  481   3HB   ALA  63           HB1      ALA  63  73.916  16.034  -3.325
  482    H    THR  64           HN       THR  64  77.165  16.284  -1.093
  483    HA   THR  64           HA       THR  64  79.658  16.578  -2.701
  484    HB   THR  64           HB       THR  64  79.755  18.536  -0.756
  485    HG1  THR  64           HG1      THR  64  77.726  18.623  -0.154
  486   1HG2  THR  64          HG23      THR  64  78.721  18.720  -3.598
  487   2HG2  THR  64          HG22      THR  64  79.325  20.078  -2.648
  488   3HG2  THR  64          HG21      THR  64  80.417  18.772  -3.111
  489    H    GLY  65           HN       GLY  65  78.861  14.373  -0.808
  490   1HA   GLY  65          2HA       GLY  65  81.026  14.824   1.212
  491   2HA   GLY  65          3HA       GLY  65  79.587  13.890   1.583
  492    H    TYR  66           HN       TYR  66  79.277  11.868   0.195
  493    HA   TYR  66           HA       TYR  66  80.110   9.818  -0.593
  494   1HB   TYR  66          2HB       TYR  66  82.469  11.499  -1.498
  495   2HB   TYR  66          3HB       TYR  66  82.086   9.868  -2.044
  496    HD1  TYR  66           HD1      TYR  66  79.786   9.483  -3.153
  497    HD2  TYR  66           HD2      TYR  66  81.506  13.370  -2.541
  498    HE1  TYR  66           HE1      TYR  66  78.266  10.426  -4.874
  499    HE2  TYR  66           HE2      TYR  66  79.992  14.312  -4.262
  500    HH   TYR  66           HH       TYR  66  77.325  12.558  -5.524
  501    H    GLY  67           HN       GLY  67  81.643  11.717   1.728
  502   1HA   GLY  67          2HA       GLY  67  82.352  10.130   3.671
  503   2HA   GLY  67          3HA       GLY  67  83.516   9.523   2.493
  504    H    PHE  68           HN       PHE  68  84.877  11.379   1.445
  505    HA   PHE  68           HA       PHE  68  85.741  13.162   3.676
  506   1HB   PHE  68          2HB       PHE  68  87.211  12.186   1.208
  507   2HB   PHE  68          3HB       PHE  68  87.878  13.338   2.366
  508    HD1  PHE  68           HD1      PHE  68  88.087  12.625   4.813
  509    HD2  PHE  68           HD2      PHE  68  87.274   9.852   1.633
  510    HE1  PHE  68           HE1      PHE  68  88.806  10.748   6.265
  511    HE2  PHE  68           HE2      PHE  68  87.992   7.975   3.086
  512    HZ   PHE  68           HZ       PHE  68  88.760   8.424   5.402
  513    H    ALA  69           HN       ALA  69  85.452  15.357   3.435
  514    HA   ALA  69           HA       ALA  69  85.319  16.535   0.736
  515   1HB   ALA  69           HB3      ALA  69  82.935  16.186   2.504
  516   2HB   ALA  69           HB2      ALA  69  83.088  17.707   1.621
  517   3HB   ALA  69           HB1      ALA  69  83.037  16.176   0.745
  518    H    GLU  70           HN       GLU  70  86.048  16.704   4.012
  519    HA   GLU  70           HA       GLU  70  85.741  19.513   4.505
  520   1HB   GLU  70          2HB       GLU  70  86.185  17.719   6.251
  521   2HB   GLU  70          3HB       GLU  70  87.866  17.730   5.722
  522   1HG   GLU  70          2HG       GLU  70  87.996  20.153   6.195
  523   2HG   GLU  70          3HG       GLU  70  86.328  20.119   6.771
  524    HA   PRO  71           HA       PRO  71  90.241  19.794   2.826
  525   1HB   PRO  71          2HB       PRO  71  90.794  17.627   1.054
  526   2HB   PRO  71          3HB       PRO  71  91.508  17.923   2.645
  527   1HG   PRO  71          2HG       PRO  71  89.808  15.825   1.959
  528   2HG   PRO  71          3HG       PRO  71  90.257  16.322   3.595
  529   1HD   PRO  71          2HD       PRO  71  87.737  16.840   2.098
  530   2HD   PRO  71          3HD       PRO  71  88.012  16.713   3.848
  531    H    TYR  72           HN       TYR  72  88.162  18.044   0.513
  532    HA   TYR  72           HA       TYR  72  87.976  20.418  -1.174
  533   1HB   TYR  72          2HB       TYR  72  90.118  19.454  -1.937
  534   2HB   TYR  72          3HB       TYR  72  89.324  17.905  -2.223
  535    HD1  TYR  72           HD1      TYR  72  88.736  21.528  -3.024
  536    HD2  TYR  72           HD2      TYR  72  88.705  17.467  -4.429
  537    HE1  TYR  72           HE1      TYR  72  88.025  22.308  -5.269
  538    HE2  TYR  72           HE2      TYR  72  87.994  18.253  -6.674
  539    HH   TYR  72           HH       TYR  72  88.357  20.887  -7.893
  540    H    ASN  73           HN       ASN  73  86.118  20.315  -2.443
  541    HA   ASN  73           HA       ASN  73  84.351  17.995  -1.887
  542   1HB   ASN  73          2HB       ASN  73  83.746  20.704  -3.105
  543   2HB   ASN  73          3HB       ASN  73  82.551  19.461  -2.738
  544   1HD2  ASN  73          HD22      ASN  73  83.804  19.926   0.883
  545   2HD2  ASN  73          HD21      ASN  73  84.233  18.738  -0.250
  546    H    LEU  74           HN       LEU  74  84.491  16.413  -3.385
  547    HA   LEU  74           HA       LEU  74  83.970  17.019  -6.194
  548   1HB   LEU  74          2HB       LEU  74  86.584  17.079  -5.486
  549   2HB   LEU  74          3HB       LEU  74  86.410  15.358  -5.792
  550    HG   LEU  74           HG       LEU  74  87.090  16.495  -7.838
  551   1HD1  LEU  74          HD13      LEU  74  84.166  15.691  -7.931
  552   2HD1  LEU  74          HD12      LEU  74  85.246  15.792  -9.320
  553   3HD1  LEU  74          HD11      LEU  74  85.538  14.589  -8.066
  554   1HD2  LEU  74          HD21      LEU  74  85.530  18.573  -6.877
  555   2HD2  LEU  74          HD23      LEU  74  86.261  18.502  -8.478
  556   3HD2  LEU  74          HD22      LEU  74  84.595  17.974  -8.245
  557    H    TYR  75           HN       TYR  75  85.526  14.153  -6.275
  558    HA   TYR  75           HA       TYR  75  84.808  11.920  -6.239
  559   1HB   TYR  75          2HB       TYR  75  83.105  12.859  -3.920
  560   2HB   TYR  75          3HB       TYR  75  83.652  11.210  -4.231
  561    HD1  TYR  75           HD1      TYR  75  86.301  10.953  -4.507
  562    HD2  TYR  75           HD2      TYR  75  84.329  14.187  -2.487
  563    HE1  TYR  75           HE1      TYR  75  88.402  11.470  -3.283
  564    HE2  TYR  75           HE2      TYR  75  86.420  14.709  -1.269
  565    HH   TYR  75           HH       TYR  75  89.266  12.647  -1.504
  566    H    SER  76           HN       SER  76  83.540  13.326  -8.179
  567    HA   SER  76           HA       SER  76  80.727  13.547  -8.056
  568   1HB   SER  76          2HB       SER  76  82.493  12.797 -10.397
  569   2HB   SER  76          3HB       SER  76  80.795  13.242 -10.536
  570    HG   SER  76           HG       SER  76  82.553  14.913  -9.130
  571    H    SER  77           HN       SER  77  82.776  10.720  -8.590
  572    HA   SER  77           HA       SER  77  80.286   9.071  -8.458
  573   1HB   SER  77          2HB       SER  77  81.162   9.032 -10.754
  574   2HB   SER  77          3HB       SER  77  82.742   8.532 -10.158
  575    HG   SER  77           HG       SER  77  80.510   7.064 -10.625
  576    H    LEU  78           HN       LEU  78  80.511   7.046  -7.356
  577    HA   LEU  78           HA       LEU  78  82.157   7.048  -5.047
  578   1HB   LEU  78          2HB       LEU  78  80.834   4.742  -6.511
  579   2HB   LEU  78          3HB       LEU  78  81.589   4.590  -4.925
  580    HG   LEU  78           HG       LEU  78  79.372   6.560  -5.547
  581   1HD1  LEU  78          HD12      LEU  78  79.257   3.805  -4.275
  582   2HD1  LEU  78          HD11      LEU  78  77.931   4.969  -4.254
  583   3HD1  LEU  78          HD13      LEU  78  78.493   4.301  -5.785
  584   1HD2  LEU  78          HD22      LEU  78  80.903   5.742  -3.092
  585   2HD2  LEU  78          HD21      LEU  78  80.462   7.359  -3.639
  586   3HD2  LEU  78          HD23      LEU  78  79.239   6.303  -2.931
  587    H    LYS  79           HN       LYS  79  82.708   5.703  -8.276
  588    HA   LYS  79           HA       LYS  79  84.995   4.119  -7.695
  589   1HB   LYS  79          2HB       LYS  79  84.196   5.683 -10.166
  590   2HB   LYS  79          3HB       LYS  79  85.602   4.619 -10.123
  591   1HG   LYS  79          2HG       LYS  79  84.202   2.705  -9.585
  592   2HG   LYS  79          3HG       LYS  79  82.780   3.740  -9.442
  593   1HD   LYS  79          2HD       LYS  79  83.016   4.374 -11.825
  594   2HD   LYS  79          3HD       LYS  79  84.401   3.294 -11.964
  595   1HE   LYS  79          2HE       LYS  79  83.069   1.362 -11.633
  596   2HE   LYS  79          3HE       LYS  79  81.715   2.303 -11.006
  597   1HZ   LYS  79           HZ1      LYS  79  81.844   3.417 -13.334
  598   2HZ   LYS  79           HZ3      LYS  79  82.632   1.982 -13.777
  599   3HZ   LYS  79           HZ2      LYS  79  81.053   1.924 -13.150
  600    H    GLU  80           HN       GLU  80  84.657   7.584  -8.397
  601    HA   GLU  80           HA       GLU  80  87.428   8.244  -8.491
  602   1HB   GLU  80          2HB       GLU  80  85.061   9.872  -7.519
  603   2HB   GLU  80          3HB       GLU  80  86.671  10.530  -7.804
  604   1HG   GLU  80          2HG       GLU  80  86.547   9.895 -10.162
  605   2HG   GLU  80          3HG       GLU  80  84.967   9.149  -9.895
  606    H    LEU  81           HN       LEU  81  85.161   7.970  -5.762
  607    HA   LEU  81           HA       LEU  81  86.931   8.963  -3.763
  608   1HB   LEU  81          2HB       LEU  81  84.500   8.576  -3.403
  609   2HB   LEU  81          3HB       LEU  81  84.792   6.836  -3.451
  610    HG   LEU  81           HG       LEU  81  86.509   8.401  -1.600
  611   1HD1  LEU  81          HD11      LEU  81  84.298   9.452  -1.265
  612   2HD1  LEU  81          HD13      LEU  81  83.582   7.860  -1.021
  613   3HD1  LEU  81          HD12      LEU  81  84.764   8.481   0.132
  614   1HD2  LEU  81          HD21      LEU  81  85.001   5.770  -1.478
  615   2HD2  LEU  81          HD23      LEU  81  86.736   5.987  -1.707
  616   3HD2  LEU  81          HD22      LEU  81  85.993   6.395  -0.161
  617    H    VAL  82           HN       VAL  82  86.345   5.646  -4.922
  618    HA   VAL  82           HA       VAL  82  88.317   4.438  -3.201
  619    HB   VAL  82           HB       VAL  82  87.193   3.484  -5.854
  620   1HG1  VAL  82          HG13      VAL  82  88.713   2.058  -3.650
  621   2HG1  VAL  82          HG12      VAL  82  87.873   1.232  -4.963
  622   3HG1  VAL  82          HG11      VAL  82  89.233   2.296  -5.318
  623   1HG2  VAL  82          HG22      VAL  82  86.340   2.956  -2.984
  624   2HG2  VAL  82          HG21      VAL  82  85.433   3.867  -4.190
  625   3HG2  VAL  82          HG23      VAL  82  85.679   2.133  -4.396
  626    H    LEU  83           HN       LEU  83  88.372   5.581  -6.590
  627    HA   LEU  83           HA       LEU  83  91.081   4.810  -7.134
  628   1HB   LEU  83          2HB       LEU  83  89.456   5.374  -8.923
  629   2HB   LEU  83          3HB       LEU  83  89.448   7.050  -8.381
  630    HG   LEU  83           HG       LEU  83  92.022   6.953  -8.748
  631   1HD1  LEU  83          HD13      LEU  83  92.073   4.469  -9.029
  632   2HD1  LEU  83          HD12      LEU  83  91.122   4.646 -10.501
  633   3HD1  LEU  83          HD11      LEU  83  92.749   5.319 -10.418
  634   1HD2  LEU  83          HD22      LEU  83  89.943   6.931 -10.946
  635   2HD2  LEU  83          HD21      LEU  83  90.696   8.329 -10.180
  636   3HD2  LEU  83          HD23      LEU  83  91.635   7.306 -11.267
  637    H    HIS  84           HN       HIS  84  89.688   7.915  -6.037
  638    HA   HIS  84           HA       HIS  84  92.168   9.341  -5.998
  639   1HB   HIS  84          2HB       HIS  84  89.901  10.389  -5.872
  640   2HB   HIS  84          3HB       HIS  84  89.763   9.798  -4.216
  641    HD1  HIS  84           HD1      HIS  84  91.185  10.967  -2.401
  642    HD2  HIS  84           HD2      HIS  84  91.806  12.505  -6.226
  643    HE1  HIS  84           HE1      HIS  84  92.454  13.141  -2.104
  644    H    TYR  85           HN       TYR  85  90.553   7.418  -3.454
  645    HA   TYR  85           HA       TYR  85  92.525   8.144  -1.456
  646   1HB   TYR  85          2HB       TYR  85  90.080   6.567  -1.558
  647   2HB   TYR  85          3HB       TYR  85  91.323   5.790  -0.575
  648    HD1  TYR  85           HD2      TYR  85  90.537   9.405  -1.210
  649    HD2  TYR  85           HD1      TYR  85  90.878   6.238   1.673
  650    HE1  TYR  85           HE2      TYR  85  90.144  11.029   0.623
  651    HE2  TYR  85           HE1      TYR  85  90.485   7.864   3.503
  652    HH   TYR  85           HH       TYR  85  90.280  11.327   2.861
  653    H    GLN  86           HN       GLN  86  92.597   5.835  -4.017
  654    HA   GLN  86           HA       GLN  86  94.251   3.852  -2.728
  655   1HB   GLN  86          2HB       GLN  86  94.523   2.893  -4.834
  656   2HB   GLN  86          3HB       GLN  86  93.027   3.795  -5.075
  657   1HG   GLN  86          2HG       GLN  86  94.403   5.715  -5.952
  658   2HG   GLN  86          3HG       GLN  86  95.824   4.681  -5.851
  659   1HE2  GLN  86          HE22      GLN  86  94.012   2.405  -8.323
  660   2HE2  GLN  86          HE21      GLN  86  94.280   2.237  -6.655
  661    H    HIS  87           HN       HIS  87  94.878   7.003  -4.080
  662    HA   HIS  87           HA       HIS  87  97.794   6.562  -4.119
  663   1HB   HIS  87          2HB       HIS  87  96.683   8.006  -5.831
  664   2HB   HIS  87          3HB       HIS  87  96.234   9.126  -4.542
  665    HD1  HIS  87           HD1      HIS  87  99.419   7.492  -5.895
  666    HD2  HIS  87           HD2      HIS  87  98.191  11.015  -4.029
  667    HE1  HIS  87           HE1      HIS  87 101.457   8.990  -5.779
  668    H    THR  88           HN       THR  88  95.372   8.245  -2.165
  669    HA   THR  88           HA       THR  88  97.411   9.426  -0.412
  670    HB   THR  88           HB       THR  88  94.399   9.295  -0.104
  671    HG1  THR  88           HG1      THR  88  95.750  11.606  -0.822
  672   1HG2  THR  88          HG22      THR  88  96.509  10.195   1.631
  673   2HG2  THR  88          HG21      THR  88  95.554  11.582   1.103
  674   3HG2  THR  88          HG23      THR  88  94.767  10.227   1.907
  675    H    SER  89           HN       SER  89  97.761   8.887   1.740
  676    HA   SER  89           HA       SER  89  97.186   6.053   2.397
  677   1HB   SER  89          2HB       SER  89  99.227   8.070   3.296
  678   2HB   SER  89          3HB       SER  89  98.957   6.588   4.214
  679    HG   SER  89           HG       SER  89 100.112   6.992   1.730
  680    H    LEU  90           HN       LEU  90  95.801   5.524   3.997
  681    HA   LEU  90           HA       LEU  90  94.129   7.443   5.280
  682   1HB   LEU  90          2HB       LEU  90  94.704   4.525   5.802
  683   2HB   LEU  90          3HB       LEU  90  93.541   5.434   6.770
  684    HG   LEU  90           HG       LEU  90  93.207   5.827   3.880
  685   1HD1  LEU  90          HD12      LEU  90  92.926   3.068   5.105
  686   2HD1  LEU  90          HD11      LEU  90  92.151   3.546   3.594
  687   3HD1  LEU  90          HD13      LEU  90  93.911   3.524   3.715
  688   1HD2  LEU  90          HD23      LEU  90  91.444   5.003   6.204
  689   2HD2  LEU  90          HD22      LEU  90  91.539   6.594   5.447
  690   3HD2  LEU  90          HD21      LEU  90  90.837   5.238   4.564
  691    H    VAL  91           HN       VAL  91  97.295   6.415   5.991
  692    HA   VAL  91           HA       VAL  91  97.980   6.310   8.550
  693    HB   VAL  91           HB       VAL  91  99.497   7.017   6.676
  694   1HG1  VAL  91          HG12      VAL  91  97.978   9.017   6.106
  695   2HG1  VAL  91          HG11      VAL  91  98.756   9.840   7.458
  696   3HG1  VAL  91          HG13      VAL  91  99.718   9.303   6.083
  697   1HG2  VAL  91          HG21      VAL  91  99.566   8.077   9.461
  698   2HG2  VAL  91          HG23      VAL  91 100.696   7.000   8.639
  699   3HG2  VAL  91          HG22      VAL  91 100.746   8.735   8.329
  700    H    GLN  92           HN       GLN  92  96.412   9.221   7.235
  701    HA   GLN  92           HA       GLN  92  96.605  10.883   9.528
  702   1HB   GLN  92          2HB       GLN  92  94.803  12.170   8.539
  703   2HB   GLN  92          3HB       GLN  92  95.880  11.619   7.254
  704   1HG   GLN  92          2HG       GLN  92  94.344   9.679   6.873
  705   2HG   GLN  92          3HG       GLN  92  93.236  10.374   8.057
  706   1HE2  GLN  92          HE22      GLN  92  93.775  12.423   4.529
  707   2HE2  GLN  92          HE21      GLN  92  95.059  11.501   5.147
  708    H    HIS  93           HN       HIS  93  94.013   8.550   8.663
  709    HA   HIS  93           HA       HIS  93  92.296   9.234  10.839
  710   1HB   HIS  93          2HB       HIS  93  92.713   6.712   9.237
  711   2HB   HIS  93          3HB       HIS  93  91.611   6.723  10.614
  712    HD1  HIS  93           HD1      HIS  93  89.434   8.041  10.392
  713    HD2  HIS  93           HD2      HIS  93  91.852   8.338   7.010
  714    HE1  HIS  93           HE1      HIS  93  88.016   9.113   8.592
  715    H    ASN  94           HN       ASN  94  94.927   6.933  10.515
  716    HA   ASN  94           HA       ASN  94  95.291   6.996  13.469
  717   1HB   ASN  94          2HB       ASN  94  95.398   4.567  11.644
  718   2HB   ASN  94          3HB       ASN  94  96.019   4.578  13.295
  719   1HD2  ASN  94          HD22      ASN  94  92.426   3.408  13.305
  720   2HD2  ASN  94          HD21      ASN  94  93.818   2.879  12.488
  721    H    ASP  95           HN       ASP  95  97.275   7.977  13.718
  722    HA   ASP  95           HA       ASP  95  99.059   8.701  11.765
  723   1HB   ASP  95          2HB       ASP  95  99.679   7.793  14.588
  724   2HB   ASP  95          3HB       ASP  95 100.898   8.493  13.523
  725    H    SER  96           HN       SER  96  98.345   5.496  12.620
  726    HA   SER  96           HA       SER  96 100.828   4.590  11.252
  727   1HB   SER  96          2HB       SER  96 100.628   3.740  13.544
  728   2HB   SER  96          3HB       SER  96  99.026   3.099  13.183
  729    HG   SER  96           HG       SER  96 101.510   2.337  12.023
  730    H    LEU  97           HN       LEU  97  98.118   5.449  10.067
  731    HA   LEU  97           HA       LEU  97  97.359   2.841   8.829
  732   1HB   LEU  97          2HB       LEU  97  96.023   5.418   9.270
  733   2HB   LEU  97          3HB       LEU  97  95.760   4.757   7.658
  734    HG   LEU  97           HG       LEU  97  95.495   3.012  10.097
  735   1HD1  LEU  97          HD12      LEU  97  94.007   5.193  10.058
  736   2HD1  LEU  97          HD11      LEU  97  93.090   4.291   8.849
  737   3HD1  LEU  97          HD13      LEU  97  93.293   3.637  10.474
  738   1HD2  LEU  97          HD23      LEU  97  95.299   2.644   7.290
  739   2HD2  LEU  97          HD22      LEU  97  94.942   1.470   8.556
  740   3HD2  LEU  97          HD21      LEU  97  93.662   2.510   7.933
  741    H    ASN  98           HN       ASN  98  99.823   3.319   8.042
  742    HA   ASN  98           HA       ASN  98  99.976   5.069   5.718
  743   1HB   ASN  98          2HB       ASN  98 101.893   4.402   7.277
  744   2HB   ASN  98          3HB       ASN  98 101.900   2.850   6.436
  745   1HD2  ASN  98          HD22      ASN  98 102.538   6.006   3.908
  746   2HD2  ASN  98          HD21      ASN  98 101.179   5.989   4.923
  747    H    VAL  99           HN       VAL  99  97.974   3.959   4.847
  748    HA   VAL  99           HA       VAL  99  98.813   1.937   2.866
  749    HB   VAL  99           HB       VAL  99  96.527   1.559   4.820
  750   1HG1  VAL  99          HG11      VAL  99  97.007   0.508   2.136
  751   2HG1  VAL  99          HG13      VAL  99  96.812  -0.764   3.344
  752   3HG1  VAL  99          HG12      VAL  99  95.547   0.444   3.123
  753   1HG2  VAL  99          HG21      VAL  99  99.052  -0.036   4.300
  754   2HG2  VAL  99          HG23      VAL  99  98.737   0.964   5.715
  755   3HG2  VAL  99          HG22      VAL  99  97.778  -0.488   5.432
  756    H    THR 100           HN       THR 100  97.340   1.861   1.065
  757    HA   THR 100           HA       THR 100  95.299   4.049   0.990
  758    HB   THR 100           HB       THR 100  95.985   4.733  -1.158
  759    HG1  THR 100           HG1      THR 100  96.464   3.134  -2.420
  760   1HG2  THR 100          HG23      THR 100  97.993   4.526   0.888
  761   2HG2  THR 100          HG22      THR 100  98.749   4.378  -0.696
  762   3HG2  THR 100          HG21      THR 100  97.768   5.793  -0.316
  763    H    LEU 101           HN       LEU 101  93.655   3.583  -0.777
  764    HA   LEU 101           HA       LEU 101  92.947   0.749  -0.656
  765   1HB   LEU 101          2HB       LEU 101  91.621   2.948  -2.274
  766   2HB   LEU 101          3HB       LEU 101  90.910   1.415  -1.768
  767    HG   LEU 101           HG       LEU 101  91.766   3.691   0.043
  768   1HD1  LEU 101          HD11      LEU 101  89.155   2.555  -0.911
  769   2HD1  LEU 101          HD13      LEU 101  89.242   3.333   0.668
  770   3HD1  LEU 101          HD12      LEU 101  89.648   4.244  -0.789
  771   1HD2  LEU 101          HD21      LEU 101  91.139   0.822   0.538
  772   2HD2  LEU 101          HD23      LEU 101  92.232   1.888   1.409
  773   3HD2  LEU 101          HD22      LEU 101  90.492   1.994   1.681
  774    H    ALA 102           HN       ALA 102  95.092   0.242  -1.777
  775    HA   ALA 102           HA       ALA 102  95.054   0.758  -4.685
  776   1HB   ALA 102           HB3      ALA 102  97.097   0.812  -2.925
  777   2HB   ALA 102           HB2      ALA 102  97.239  -0.852  -3.488
  778   3HB   ALA 102           HB1      ALA 102  97.315   0.478  -4.644
  779    H    TYR 103           HN       TYR 103  94.693  -2.040  -2.473
  780    HA   TYR 103           HA       TYR 103  94.464  -3.731  -4.936
  781   1HB   TYR 103          2HB       TYR 103  95.134  -4.521  -2.096
  782   2HB   TYR 103          3HB       TYR 103  94.863  -5.669  -3.404
  783    HD1  TYR 103           HD1      TYR 103  96.197  -5.017  -5.653
  784    HD2  TYR 103           HD2      TYR 103  97.342  -3.937  -1.658
  785    HE1  TYR 103           HE1      TYR 103  98.538  -4.724  -6.407
  786    HE2  TYR 103           HE2      TYR 103  99.689  -3.641  -2.411
  787    HH   TYR 103           HH       TYR 103 100.558  -3.932  -5.842
  788    HA   PRO 104           HA       PRO 104  90.051  -3.801  -3.797
  789   1HB   PRO 104          2HB       PRO 104  89.878  -5.734  -6.007
  790   2HB   PRO 104          3HB       PRO 104  89.046  -4.183  -5.792
  791   1HG   PRO 104          2HG       PRO 104  91.024  -4.596  -7.603
  792   2HG   PRO 104          3HG       PRO 104  90.650  -3.022  -6.885
  793   1HD   PRO 104          2HD       PRO 104  92.938  -4.839  -6.335
  794   2HD   PRO 104          3HD       PRO 104  92.822  -3.073  -6.161
  795    H    VAL 105           HN       VAL 105  88.843  -5.400  -2.672
  796    HA   VAL 105           HA       VAL 105  90.342  -7.616  -1.607
  797    HB   VAL 105           HB       VAL 105  88.550  -6.546  -0.331
  798   1HG1  VAL 105          HG12      VAL 105  87.078  -6.171  -2.365
  799   2HG1  VAL 105          HG11      VAL 105  86.626  -7.871  -2.258
  800   3HG1  VAL 105          HG13      VAL 105  86.232  -6.770  -0.939
  801   1HG2  VAL 105          HG22      VAL 105  88.871  -9.383  -0.765
  802   2HG2  VAL 105          HG21      VAL 105  88.483  -8.538   0.733
  803   3HG2  VAL 105          HG23      VAL 105  87.191  -9.038  -0.359
  804    H    TYR 106           HN       TYR 106  87.869  -7.381  -4.150
  805    HA   TYR 106           HA       TYR 106  88.148 -10.308  -4.617
  806   1HB   TYR 106          2HB       TYR 106  86.144  -8.269  -5.566
  807   2HB   TYR 106          3HB       TYR 106  86.206  -9.896  -6.224
  808    HD1  TYR 106           HD1      TYR 106  86.332 -11.796  -4.277
  809    HD2  TYR 106           HD2      TYR 106  84.646  -7.868  -3.848
  810    HE1  TYR 106           HE1      TYR 106  84.935 -12.601  -2.390
  811    HE2  TYR 106           HE2      TYR 106  83.244  -8.675  -1.971
  812    HH   TYR 106           HH       TYR 106  83.698 -11.838  -0.557
  813    H    ALA 107           HN       ALA 107  90.195  -8.255  -5.371
  814    HA   ALA 107           HA       ALA 107  90.146  -7.754  -8.180
  815   1HB   ALA 107           HB1      ALA 107  91.950  -7.353  -6.016
  816   2HB   ALA 107           HB3      ALA 107  92.842  -8.173  -7.296
  817   3HB   ALA 107           HB2      ALA 107  92.023  -6.647  -7.630
  818    H    GLN 108           HN       GLN 108  90.840  -8.981  -9.931
  819    HA   GLN 108           HA       GLN 108  91.250 -11.865  -9.403
  820   1HB   GLN 108          2HB       GLN 108  90.779 -10.288 -11.947
  821   2HB   GLN 108          3HB       GLN 108  91.066 -12.027 -11.919
  822   1HG   GLN 108          2HG       GLN 108  89.119 -12.219 -10.304
  823   2HG   GLN 108          3HG       GLN 108  88.768 -10.523 -10.644
  824   1HE2  GLN 108          HE22      GLN 108  88.313 -11.507 -14.264
  825   2HE2  GLN 108          HE21      GLN 108  89.465 -10.554 -13.458
  826    H    GLN 109           HN       GLN 109  93.194 -12.897  -9.727
  827    HA   GLN 109           HA       GLN 109  95.531 -11.195 -10.400
  828   1HB   GLN 109          2HB       GLN 109  95.350 -14.036  -9.349
  829   2HB   GLN 109          3HB       GLN 109  96.856 -13.168  -9.640
  830   1HG   GLN 109          2HG       GLN 109  96.094 -11.400  -8.047
  831   2HG   GLN 109          3HG       GLN 109  94.674 -12.382  -7.689
  832   1HE2  GLN 109          HE22      GLN 109  97.433 -13.137  -5.216
  833   2HE2  GLN 109          HE21      GLN 109  96.692 -11.692  -5.712
  834    H    ARG 110           HN       ARG 110  93.365 -12.946 -12.131
  835    HA   ARG 110           HA       ARG 110  95.452 -13.908 -14.047
  836   1HB   ARG 110          2HB       ARG 110  93.992 -15.695 -13.109
  837   2HB   ARG 110          3HB       ARG 110  92.583 -14.852 -13.752
  838   1HG   ARG 110          2HG       ARG 110  93.042 -16.417 -15.437
  839   2HG   ARG 110          3HG       ARG 110  93.861 -14.972 -16.029
  840   1HD   ARG 110          2HD       ARG 110  95.987 -15.783 -15.046
  841   2HD   ARG 110          3HD       ARG 110  95.165 -17.241 -14.493
  842    HE   ARG 110           HE       ARG 110  94.647 -17.157 -17.224
  843   1HH1  ARG 110          HH21      ARG 110  97.440 -17.134 -15.176
  844   2HH1  ARG 110          HH22      ARG 110  98.464 -17.872 -16.363
  845   1HH2  ARG 110          HH11      ARG 110  95.973 -18.128 -18.754
  846   2HH2  ARG 110          HH12      ARG 110  97.642 -18.413 -18.391
  847    H    ARG 111           HN       ARG 111  95.336 -13.143 -16.170
  848    HA   ARG 111           HA       ARG 111  94.780 -11.532 -17.803
  849   1HB   ARG 111          2HB       ARG 111  92.151 -12.816 -17.053
  850   2HB   ARG 111          3HB       ARG 111  92.267 -11.626 -18.351
  851   1HG   ARG 111          2HG       ARG 111  93.958 -13.002 -19.485
  852   2HG   ARG 111          3HG       ARG 111  93.882 -14.186 -18.180
  853   1HD   ARG 111          2HD       ARG 111  91.616 -14.753 -18.700
  854   2HD   ARG 111          3HD       ARG 111  91.462 -13.386 -19.806
  855    HE   ARG 111           HE       ARG 111  93.498 -14.820 -20.945
  856   1HH1  ARG 111          HH21      ARG 111  90.393 -15.589 -19.687
  857   2HH1  ARG 111          HH22      ARG 111  90.083 -16.850 -20.833
  858   1HH2  ARG 111          HH11      ARG 111  93.120 -16.454 -22.474
  859   2HH2  ARG 111          HH12      ARG 111  91.639 -17.351 -22.407
   
  No H/Q in entry =         859
  Start of MODEL   21
    1   1H    GLU   1           HT3      GLU   1  95.670  -2.739 -18.951
    2   2H    GLU   1           HT2      GLU   1  96.059  -1.278 -19.726
    3   3H    GLU   1           HT1      GLU   1  97.135  -2.591 -19.793
    4    HA   GLU   1           HA       GLU   1  97.529  -2.445 -17.425
    5   1HB   GLU   1          2HB       GLU   1  98.615  -0.177 -17.432
    6   2HB   GLU   1          3HB       GLU   1  99.008  -1.156 -18.847
    7   1HG   GLU   1          2HG       GLU   1  97.189  -0.003 -20.106
    8   2HG   GLU   1          3HG       GLU   1  96.913   1.031 -18.704
    9    H    ASP   2           HN       ASP   2  94.576  -1.572 -18.180
   10    HA   ASP   2           HA       ASP   2  93.960   0.682 -16.522
   11   1HB   ASP   2          2HB       ASP   2  91.634  -0.123 -16.682
   12   2HB   ASP   2          3HB       ASP   2  92.430  -0.194 -18.254
   13    H    LEU   3           HN       LEU   3  93.152   0.734 -14.361
   14    HA   LEU   3           HA       LEU   3  94.097  -1.496 -12.673
   15   1HB   LEU   3          2HB       LEU   3  93.110   1.299 -12.121
   16   2HB   LEU   3          3HB       LEU   3  93.252   0.121 -10.818
   17    HG   LEU   3           HG       LEU   3  95.284   1.565 -11.102
   18   1HD1  LEU   3          HD11      LEU   3  95.140  -1.025 -10.402
   19   2HD1  LEU   3          HD13      LEU   3  96.167  -1.188 -11.826
   20   3HD1  LEU   3          HD12      LEU   3  96.675  -0.160 -10.486
   21   1HD2  LEU   3          HD23      LEU   3  94.968   1.476 -13.692
   22   2HD2  LEU   3          HD22      LEU   3  96.607   1.461 -13.040
   23   3HD2  LEU   3          HD21      LEU   3  95.861  -0.041 -13.583
   24    HA   PRO   4           HA       PRO   4  90.045  -3.376 -12.462
   25   1HB   PRO   4          2HB       PRO   4  90.603  -4.118  -9.679
   26   2HB   PRO   4          3HB       PRO   4  90.338  -5.160 -11.083
   27   1HG   PRO   4          2HG       PRO   4  92.757  -4.765  -9.853
   28   2HG   PRO   4          3HG       PRO   4  92.537  -5.339 -11.509
   29   1HD   PRO   4          2HD       PRO   4  93.504  -2.720 -10.569
   30   2HD   PRO   4          3HD       PRO   4  93.665  -3.485 -12.167
   31    H    HIS   5           HN       HIS   5  91.177  -0.912 -10.402
   32    HA   HIS   5           HA       HIS   5  89.110  -0.565  -8.530
   33   1HB   HIS   5          2HB       HIS   5  90.791   1.476  -9.995
   34   2HB   HIS   5          3HB       HIS   5  89.711   1.887  -8.662
   35    HD1  HIS   5           HD1      HIS   5  90.145  -0.206  -6.633
   36    HD2  HIS   5           HD2      HIS   5  93.312   1.265  -8.906
   37    HE1  HIS   5           HE1      HIS   5  92.252  -0.723  -5.336
   38    H    HIS   6           HN       HIS   6  89.090   0.050 -11.971
   39    HA   HIS   6           HA       HIS   6  86.911   1.881 -12.035
   40   1HB   HIS   6          2HB       HIS   6  87.879  -0.154 -14.048
   41   2HB   HIS   6          3HB       HIS   6  86.549   0.958 -14.378
   42    HD1  HIS   6           HD1      HIS   6  87.618   2.630 -15.939
   43    HD2  HIS   6           HD2      HIS   6  89.944   1.936 -12.549
   44    HE1  HIS   6           HE1      HIS   6  89.504   4.319 -16.005
   45    H    ASP   7           HN       ASP   7  86.959  -1.613 -11.596
   46    HA   ASP   7           HA       ASP   7  84.014  -1.680 -11.865
   47   1HB   ASP   7          2HB       ASP   7  86.043  -3.890 -11.511
   48   2HB   ASP   7          3HB       ASP   7  84.302  -4.149 -11.625
   49    H    GLU   8           HN       GLU   8  82.689  -1.783 -10.133
   50    HA   GLU   8           HA       GLU   8  83.687  -1.413  -7.457
   51   1HB   GLU   8          2HB       GLU   8  80.938  -2.150  -8.504
   52   2HB   GLU   8          3HB       GLU   8  81.276  -1.762  -6.817
   53   1HG   GLU   8          2HG       GLU   8  81.798   0.479  -7.304
   54   2HG   GLU   8          3HG       GLU   8  82.088   0.138  -9.010
   55    H    LYS   9           HN       LYS   9  82.842  -4.205  -9.363
   56    HA   LYS   9           HA       LYS   9  82.409  -6.138  -7.328
   57   1HB   LYS   9          2HB       LYS   9  82.803  -7.762  -9.017
   58   2HB   LYS   9          3HB       LYS   9  82.145  -6.365  -9.872
   59   1HG   LYS   9          2HG       LYS   9  84.658  -5.648 -10.079
   60   2HG   LYS   9          3HG       LYS   9  84.980  -7.354  -9.775
   61   1HD   LYS   9          2HD       LYS   9  83.536  -7.980 -11.662
   62   2HD   LYS   9          3HD       LYS   9  83.177  -6.280 -11.962
   63   1HE   LYS   9          2HE       LYS   9  85.621  -5.874 -12.318
   64   2HE   LYS   9          3HE       LYS   9  85.892  -7.611 -12.154
   65   1HZ   LYS   9           HZ3      LYS   9  83.830  -6.767 -14.031
   66   2HZ   LYS   9           HZ2      LYS   9  85.441  -6.470 -14.484
   67   3HZ   LYS   9           HZ1      LYS   9  84.930  -8.053 -14.136
   68    H    THR  10           HN       THR  10  85.403  -4.862  -8.683
   69    HA   THR  10           HA       THR  10  87.130  -6.824  -7.511
   70    HB   THR  10           HB       THR  10  88.917  -5.153  -8.020
   71    HG1  THR  10           HG1      THR  10  86.678  -3.568  -8.148
   72   1HG2  THR  10          HG22      THR  10  86.976  -6.316  -9.856
   73   2HG2  THR  10          HG21      THR  10  87.740  -4.878 -10.532
   74   3HG2  THR  10          HG23      THR  10  88.732  -6.231  -9.993
   75    H    TRP  11           HN       TRP  11  85.648  -3.915  -6.194
   76    HA   TRP  11           HA       TRP  11  87.141  -4.466  -3.664
   77   1HB   TRP  11          2HB       TRP  11  86.425  -1.833  -3.421
   78   2HB   TRP  11          3HB       TRP  11  88.011  -2.391  -3.954
   79    HD1  TRP  11           HD1      TRP  11  88.207  -2.772  -6.701
   80    HE1  TRP  11           HE1      TRP  11  87.243  -1.337  -8.606
   81    HE3  TRP  11           HE3      TRP  11  84.667  -0.233  -4.099
   82    HZ2  TRP  11           HZ2      TRP  11  85.218   0.693  -8.948
   83    HZ3  TRP  11           HZ3      TRP  11  83.242   1.454  -5.210
   84    HH2  TRP  11           HH2      TRP  11  83.515   1.925  -7.632
   85    H    ASN  12           HN       ASN  12  84.060  -3.746  -5.177
   86    HA   ASN  12           HA       ASN  12  82.790  -3.433  -2.533
   87   1HB   ASN  12          2HB       ASN  12  80.908  -2.642  -3.634
   88   2HB   ASN  12          3HB       ASN  12  82.199  -2.137  -4.722
   89   1HD2  ASN  12          HD21      ASN  12  79.475  -2.571  -5.585
   90   2HD2  ASN  12          HD22      ASN  12  79.476  -3.883  -6.663
   91    H    VAL  13           HN       VAL  13  81.540  -4.960  -1.548
   92    HA   VAL  13           HA       VAL  13  81.425  -7.620  -2.896
   93    HB   VAL  13           HB       VAL  13  82.780  -7.517  -0.822
   94   1HG1  VAL  13          HG13      VAL  13  81.408  -5.669   0.206
   95   2HG1  VAL  13          HG12      VAL  13  80.161  -6.866   0.555
   96   3HG1  VAL  13          HG11      VAL  13  81.752  -7.007   1.303
   97   1HG2  VAL  13          HG21      VAL  13  81.563  -9.589  -1.445
   98   2HG2  VAL  13          HG23      VAL  13  81.705  -9.414   0.303
   99   3HG2  VAL  13          HG22      VAL  13  80.178  -9.043  -0.498
  100    H    GLY  14           HN       GLY  14  79.508  -4.998  -1.899
  101   1HA   GLY  14          2HA       GLY  14  77.150  -4.843  -2.276
  102   2HA   GLY  14          3HA       GLY  14  77.083  -6.597  -2.427
  103    H    SER  15           HN       SER  15  78.221  -4.454   0.217
  104    HA   SER  15           HA       SER  15  77.632  -4.432   2.486
  105   1HB   SER  15          2HB       SER  15  75.409  -3.860   1.446
  106   2HB   SER  15          3HB       SER  15  74.998  -5.572   1.519
  107    HG   SER  15           HG       SER  15  74.416  -5.137   3.489
  108    H    SER  16           HN       SER  16  79.241  -6.392   2.372
  109    HA   SER  16           HA       SER  16  78.062  -9.029   2.802
  110   1HB   SER  16          2HB       SER  16  80.351  -9.750   3.187
  111   2HB   SER  16          3HB       SER  16  80.332  -8.658   1.807
  112    HG   SER  16           HG       SER  16  81.350  -8.308   4.375
  113    H    ASN  17           HN       ASN  17  78.577 -10.247   4.896
  114    HA   ASN  17           HA       ASN  17  77.599  -8.692   7.145
  115   1HB   ASN  17          2HB       ASN  17  78.705 -11.517   7.016
  116   2HB   ASN  17          3HB       ASN  17  77.929 -10.803   8.431
  117   1HD2  ASN  17          HD22      ASN  17  75.350 -12.654   6.398
  118   2HD2  ASN  17          HD21      ASN  17  76.823 -13.109   7.108
  119    H    ARG  18           HN       ARG  18  78.755  -7.966   8.933
  120    HA   ARG  18           HA       ARG  18  81.472  -7.225   8.570
  121   1HB   ARG  18          2HB       ARG  18  79.743  -7.407  11.038
  122   2HB   ARG  18          3HB       ARG  18  81.387  -6.765  11.068
  123   1HG   ARG  18          2HG       ARG  18  80.486  -5.315   9.023
  124   2HG   ARG  18          3HG       ARG  18  78.928  -5.623   9.792
  125   1HD   ARG  18          2HD       ARG  18  81.357  -4.490  11.210
  126   2HD   ARG  18          3HD       ARG  18  79.998  -3.530  10.616
  127    HE   ARG  18           HE       ARG  18  78.752  -5.370  12.217
  128   1HH1  ARG  18          HH21      ARG  18  81.451  -3.264  12.550
  129   2HH1  ARG  18          HH22      ARG  18  81.231  -3.026  14.251
  130   1HH2  ARG  18          HH11      ARG  18  78.438  -5.073  14.438
  131   2HH2  ARG  18          HH12      ARG  18  79.521  -4.050  15.322
  132    H    ASN  19           HN       ASN  19  80.031 -10.051  10.156
  133    HA   ASN  19           HA       ASN  19  82.461 -11.003  11.347
  134   1HB   ASN  19          2HB       ASN  19  79.937 -12.410  10.446
  135   2HB   ASN  19          3HB       ASN  19  81.272 -13.262  11.225
  136   1HD2  ASN  19          HD22      ASN  19  78.659 -11.423  13.572
  137   2HD2  ASN  19          HD21      ASN  19  78.353 -11.902  11.972
  138    H    LYS  20           HN       LYS  20  80.956 -11.623   8.156
  139    HA   LYS  20           HA       LYS  20  83.049 -13.420   7.304
  140   1HB   LYS  20          2HB       LYS  20  80.793 -13.301   6.206
  141   2HB   LYS  20          3HB       LYS  20  81.251 -11.730   5.539
  142   1HG   LYS  20          2HG       LYS  20  83.077 -12.698   4.301
  143   2HG   LYS  20          3HG       LYS  20  82.877 -14.250   5.113
  144   1HD   LYS  20          2HD       LYS  20  81.846 -14.513   2.982
  145   2HD   LYS  20          3HD       LYS  20  80.518 -14.300   4.123
  146   1HE   LYS  20          2HE       LYS  20  80.104 -12.094   3.427
  147   2HE   LYS  20          3HE       LYS  20  81.714 -11.915   2.729
  148   1HZ   LYS  20           HZ1      LYS  20  80.732 -13.969   1.317
  149   2HZ   LYS  20           HZ3      LYS  20  79.321 -13.064   1.580
  150   3HZ   LYS  20           HZ2      LYS  20  80.660 -12.346   0.820
  151    H    ALA  21           HN       ALA  21  82.542  -9.922   7.062
  152    HA   ALA  21           HA       ALA  21  84.716  -9.346   5.318
  153   1HB   ALA  21           HB1      ALA  21  83.034  -7.834   7.199
  154   2HB   ALA  21           HB3      ALA  21  84.653  -7.170   6.997
  155   3HB   ALA  21           HB2      ALA  21  83.606  -7.383   5.595
  156    H    GLU  22           HN       GLU  22  84.581  -9.972   8.784
  157    HA   GLU  22           HA       GLU  22  87.199  -9.096   9.470
  158   1HB   GLU  22          2HB       GLU  22  85.454  -9.763  11.122
  159   2HB   GLU  22          3HB       GLU  22  85.665 -11.444  10.629
  160   1HG   GLU  22          2HG       GLU  22  87.907 -11.499  11.418
  161   2HG   GLU  22          3HG       GLU  22  87.965  -9.746  11.605
  162    H    ASN  23           HN       ASN  23  86.045 -12.316   8.424
  163    HA   ASN  23           HA       ASN  23  88.600 -13.578   8.379
  164   1HB   ASN  23          2HB       ASN  23  86.369 -14.738   8.143
  165   2HB   ASN  23          3HB       ASN  23  86.289 -14.117   6.495
  166   1HD2  ASN  23          HD22      ASN  23  87.912 -17.130   5.560
  167   2HD2  ASN  23          HD21      ASN  23  86.478 -16.227   5.493
  168    H    LEU  24           HN       LEU  24  86.805 -11.694   5.983
  169    HA   LEU  24           HA       LEU  24  88.718 -11.945   3.844
  170   1HB   LEU  24          2HB       LEU  24  86.641  -9.818   4.444
  171   2HB   LEU  24          3HB       LEU  24  87.554  -9.911   2.941
  172    HG   LEU  24           HG       LEU  24  85.871 -12.191   4.003
  173   1HD1  LEU  24          HD11      LEU  24  85.168  -9.806   2.357
  174   2HD1  LEU  24          HD13      LEU  24  84.501 -11.358   1.849
  175   3HD1  LEU  24          HD12      LEU  24  84.166 -10.740   3.468
  176   1HD2  LEU  24          HD21      LEU  24  87.693 -11.763   1.740
  177   2HD2  LEU  24          HD23      LEU  24  87.099 -13.273   2.431
  178   3HD2  LEU  24          HD22      LEU  24  86.118 -12.396   1.257
  179    H    LEU  25           HN       LEU  25  88.329  -9.675   6.540
  180    HA   LEU  25           HA       LEU  25  90.607  -8.042   5.607
  181   1HB   LEU  25          2HB       LEU  25  88.865  -7.933   8.091
  182   2HB   LEU  25          3HB       LEU  25  90.184  -6.806   7.771
  183    HG   LEU  25           HG       LEU  25  88.056  -7.254   5.693
  184   1HD1  LEU  25          HD12      LEU  25  87.038  -6.685   7.984
  185   2HD1  LEU  25          HD11      LEU  25  87.866  -5.133   7.840
  186   3HD1  LEU  25          HD13      LEU  25  86.644  -5.595   6.655
  187   1HD2  LEU  25          HD23      LEU  25  89.971  -5.029   6.449
  188   2HD2  LEU  25          HD22      LEU  25  89.948  -5.972   4.957
  189   3HD2  LEU  25          HD21      LEU  25  88.667  -4.804   5.281
  190    H    ARG  26           HN       ARG  26  90.116 -10.881   7.341
  191    HA   ARG  26           HA       ARG  26  92.599 -10.557   8.930
  192   1HB   ARG  26          2HB       ARG  26  90.282 -12.467   9.035
  193   2HB   ARG  26          3HB       ARG  26  91.814 -12.885   9.804
  194   1HG   ARG  26          2HG       ARG  26  90.439 -10.247  10.328
  195   2HG   ARG  26          3HG       ARG  26  90.050 -11.695  11.250
  196   1HD   ARG  26          2HD       ARG  26  92.731 -10.320  11.059
  197   2HD   ARG  26          3HD       ARG  26  91.741 -10.526  12.497
  198    HE   ARG  26           HE       ARG  26  93.680 -12.385  11.496
  199   1HH1  ARG  26          HH21      ARG  26  90.443 -12.305  12.698
  200   2HH1  ARG  26          HH22      ARG  26  90.412 -13.992  13.080
  201   1HH2  ARG  26          HH11      ARG  26  93.653 -14.574  11.996
  202   2HH2  ARG  26          HH12      ARG  26  92.227 -15.276  12.684
  203    H    GLY  27           HN       GLY  27  94.432 -11.671   8.432
  204   1HA   GLY  27          2HA       GLY  27  95.788 -13.327   7.423
  205   2HA   GLY  27          3HA       GLY  27  94.340 -14.030   6.704
  206    H    LYS  28           HN       LYS  28  94.260 -10.762   6.065
  207    HA   LYS  28           HA       LYS  28  95.410 -11.237   3.364
  208   1HB   LYS  28          2HB       LYS  28  93.379  -9.220   4.349
  209   2HB   LYS  28          3HB       LYS  28  94.043  -9.229   2.715
  210   1HG   LYS  28          2HG       LYS  28  93.316 -11.783   2.802
  211   2HG   LYS  28          3HG       LYS  28  92.185 -11.183   4.015
  212   1HD   LYS  28          2HD       LYS  28  90.883 -10.742   2.186
  213   2HD   LYS  28          3HD       LYS  28  91.880  -9.291   2.095
  214   1HE   LYS  28          2HE       LYS  28  93.385 -10.342   0.518
  215   2HE   LYS  28          3HE       LYS  28  92.563 -11.890   0.701
  216   1HZ   LYS  28           HZ2      LYS  28  90.538 -10.831  -0.164
  217   2HZ   LYS  28           HZ1      LYS  28  91.413  -9.399  -0.433
  218   3HZ   LYS  28           HZ3      LYS  28  91.811 -10.808  -1.289
  219    H    ARG  29           HN       ARG  29  96.972  -9.882   2.569
  220    HA   ARG  29           HA       ARG  29  98.685  -8.542   4.435
  221   1HB   ARG  29          2HB       ARG  29  98.571  -8.376   1.409
  222   2HB   ARG  29          3HB       ARG  29  99.893  -7.764   2.402
  223   1HG   ARG  29          2HG       ARG  29 100.504  -9.938   3.127
  224   2HG   ARG  29          3HG       ARG  29  98.978 -10.636   2.582
  225   1HD   ARG  29          2HD       ARG  29  99.615 -10.112   0.231
  226   2HD   ARG  29          3HD       ARG  29 101.168  -9.511   0.810
  227    HE   ARG  29           HE       ARG  29 101.017 -12.083   1.844
  228   1HH1  ARG  29          HH21      ARG  29 100.692 -10.607  -1.255
  229   2HH1  ARG  29          HH22      ARG  29 101.310 -11.975  -2.118
  230   1HH2  ARG  29          HH11      ARG  29 101.825 -13.875   0.735
  231   2HH2  ARG  29          HH12      ARG  29 101.951 -13.827  -0.991
  232    H    ASP  30           HN       ASP  30  99.147  -6.267   4.583
  233    HA   ASP  30           HA       ASP  30  96.884  -4.550   4.743
  234   1HB   ASP  30          2HB       ASP  30  99.825  -3.844   4.475
  235   2HB   ASP  30          3HB       ASP  30  98.554  -2.717   4.955
  236    H    GLY  31           HN       GLY  31  96.091  -2.964   3.338
  237   1HA   GLY  31          2HA       GLY  31  96.305  -1.577   1.318
  238   2HA   GLY  31          3HA       GLY  31  97.328  -2.835   0.619
  239    H    THR  32           HN       THR  32  95.345  -4.870   1.821
  240    HA   THR  32           HA       THR  32  93.576  -4.905  -0.533
  241    HB   THR  32           HB       THR  32  93.747  -6.857   1.773
  242    HG1  THR  32           HG1      THR  32  95.436  -7.613   0.800
  243   1HG2  THR  32          HG23      THR  32  92.130  -6.649  -0.687
  244   2HG2  THR  32          HG22      THR  32  92.869  -8.228  -0.419
  245   3HG2  THR  32          HG21      THR  32  91.805  -7.532   0.802
  246    H    PHE  33           HN       PHE  33  91.614  -3.906  -0.449
  247    HA   PHE  33           HA       PHE  33  90.190  -3.961   2.166
  248   1HB   PHE  33          2HB       PHE  33  89.944  -1.706   2.316
  249   2HB   PHE  33          3HB       PHE  33  91.400  -1.671   1.324
  250    HD1  PHE  33           HD1      PHE  33  90.989  -1.785  -1.288
  251    HD2  PHE  33           HD2      PHE  33  88.033  -0.640   1.602
  252    HE1  PHE  33           HE1      PHE  33  89.683  -0.625  -3.048
  253    HE2  PHE  33           HE2      PHE  33  86.750   0.499  -0.182
  254    HZ   PHE  33           HZ       PHE  33  87.562   0.491  -2.483
  255    H    LEU  34           HN       LEU  34  87.859  -3.336   1.878
  256    HA   LEU  34           HA       LEU  34  86.806  -3.928  -0.845
  257   1HB   LEU  34          2HB       LEU  34  85.023  -5.269   0.814
  258   2HB   LEU  34          3HB       LEU  34  86.247  -6.030  -0.193
  259    HG   LEU  34           HG       LEU  34  87.869  -5.762   1.731
  260   1HD1  LEU  34          HD13      LEU  34  85.316  -4.787   2.993
  261   2HD1  LEU  34          HD12      LEU  34  86.567  -5.551   3.975
  262   3HD1  LEU  34          HD11      LEU  34  86.927  -4.081   3.073
  263   1HD2  LEU  34          HD21      LEU  34  86.544  -7.872   1.205
  264   2HD2  LEU  34          HD23      LEU  34  87.076  -7.718   2.880
  265   3HD2  LEU  34          HD22      LEU  34  85.402  -7.366   2.450
  266    H    VAL  35           HN       VAL  35  84.537  -3.181  -1.088
  267    HA   VAL  35           HA       VAL  35  83.902  -1.010   0.872
  268    HB   VAL  35           HB       VAL  35  83.191  -1.356  -2.062
  269   1HG1  VAL  35          HG13      VAL  35  81.793   0.104   0.066
  270   2HG1  VAL  35          HG12      VAL  35  82.282   1.144  -1.272
  271   3HG1  VAL  35          HG11      VAL  35  81.261  -0.262  -1.576
  272   1HG2  VAL  35          HG22      VAL  35  84.655   0.795  -0.514
  273   2HG2  VAL  35          HG21      VAL  35  85.401  -0.400  -1.580
  274   3HG2  VAL  35          HG23      VAL  35  84.331   0.834  -2.242
  275    H    ARG  36           HN       ARG  36  81.998  -1.149   2.016
  276    HA   ARG  36           HA       ARG  36  79.843  -2.924   1.052
  277   1HB   ARG  36          2HB       ARG  36  79.773  -4.198   3.176
  278   2HB   ARG  36          3HB       ARG  36  81.291  -4.466   2.317
  279   1HG   ARG  36          2HG       ARG  36  82.486  -2.997   3.770
  280   2HG   ARG  36          3HG       ARG  36  80.996  -2.346   4.454
  281   1HD   ARG  36          2HD       ARG  36  81.768  -5.258   4.700
  282   2HD   ARG  36          3HD       ARG  36  82.215  -4.047   5.901
  283    HE   ARG  36           HE       ARG  36  79.482  -3.711   5.635
  284   1HH1  ARG  36          HH21      ARG  36  81.611  -6.357   6.184
  285   2HH1  ARG  36          HH22      ARG  36  80.495  -7.226   7.184
  286   1HH2  ARG  36          HH11      ARG  36  78.000  -4.828   6.939
  287   2HH2  ARG  36          HH12      ARG  36  78.452  -6.358   7.617
  288    H    GLU  37           HN       GLU  37  78.114  -2.928   3.050
  289    HA   GLU  37           HA       GLU  37  77.823  -0.054   3.743
  290   1HB   GLU  37          2HB       GLU  37  76.020  -1.006   2.363
  291   2HB   GLU  37          3HB       GLU  37  75.780  -2.286   3.551
  292   1HG   GLU  37          2HG       GLU  37  75.117  -0.659   5.236
  293   2HG   GLU  37          3HG       GLU  37  75.458   0.672   4.126
  294    H    SER  38           HN       SER  38  76.718   0.287   5.917
  295    HA   SER  38           HA       SER  38  78.088  -1.342   7.931
  296   1HB   SER  38          2HB       SER  38  75.944   0.797   8.239
  297   2HB   SER  38          3HB       SER  38  76.892   0.105   9.553
  298    HG   SER  38           HG       SER  38  77.676   1.818   7.462
  299    H    SER  39           HN       SER  39  76.041  -2.260   5.921
  300    HA   SER  39           HA       SER  39  74.372  -3.827   5.740
  301   1HB   SER  39          2HB       SER  39  74.086  -5.411   7.597
  302   2HB   SER  39          3HB       SER  39  75.800  -5.091   7.348
  303    HG   SER  39           HG       SER  39  75.158  -4.977   9.561
  304    H    LYS  40           HN       LYS  40  73.840  -2.903   9.139
  305    HA   LYS  40           HA       LYS  40  71.079  -2.100   8.428
  306   1HB   LYS  40          2HB       LYS  40  71.554  -3.590  10.417
  307   2HB   LYS  40          3HB       LYS  40  72.373  -2.222  11.171
  308   1HG   LYS  40          2HG       LYS  40  70.292  -0.891  10.984
  309   2HG   LYS  40          3HG       LYS  40  69.475  -2.292  10.287
  310   1HD   LYS  40          2HD       LYS  40  69.908  -3.586  12.331
  311   2HD   LYS  40          3HD       LYS  40  70.765  -2.212  13.031
  312   1HE   LYS  40          2HE       LYS  40  68.497  -2.230  13.902
  313   2HE   LYS  40          3HE       LYS  40  68.664  -0.859  12.806
  314   1HZ   LYS  40           HZ3      LYS  40  67.897  -2.830  11.147
  315   2HZ   LYS  40           HZ2      LYS  40  67.044  -3.233  12.560
  316   3HZ   LYS  40           HZ1      LYS  40  66.844  -1.702  11.851
  317    H    GLN  41           HN       GLN  41  70.497   0.013   8.305
  318    HA   GLN  41           HA       GLN  41  70.640   2.319   9.252
  319   1HB   GLN  41          2HB       GLN  41  72.763   1.874  10.484
  320   2HB   GLN  41          3HB       GLN  41  73.629   1.902   8.942
  321   1HG   GLN  41          2HG       GLN  41  72.931   4.198   8.547
  322   2HG   GLN  41          3HG       GLN  41  71.958   4.187  10.019
  323   1HE2  GLN  41          HE22      GLN  41  74.876   5.660  11.462
  324   2HE2  GLN  41          HE21      GLN  41  73.324   5.985  10.855
  325    H    GLY  42           HN       GLY  42  72.481   0.784   6.658
  326   1HA   GLY  42          2HA       GLY  42  72.252   1.305   4.337
  327   2HA   GLY  42          3HA       GLY  42  71.358   2.756   4.779
  328    H    CYS  43           HN       CYS  43  74.052   2.653   6.717
  329    HA   CYS  43           HA       CYS  43  75.325   4.821   5.229
  330   1HB   CYS  43          2HB       CYS  43  75.230   4.772   7.721
  331   2HB   CYS  43          3HB       CYS  43  76.283   3.357   7.708
  332    HG   CYS  43           HG       CYS  43  77.173   6.194   6.734
  333    H    TYR  44           HN       TYR  44  77.103   4.664   3.908
  334    HA   TYR  44           HA       TYR  44  78.034   1.990   3.183
  335   1HB   TYR  44          2HB       TYR  44  78.711   4.764   2.188
  336   2HB   TYR  44          3HB       TYR  44  79.499   3.311   1.569
  337    HD1  TYR  44           HD2      TYR  44  76.302   5.150   1.813
  338    HD2  TYR  44           HD1      TYR  44  78.295   1.699   0.212
  339    HE1  TYR  44           HE2      TYR  44  74.369   4.728   0.317
  340    HE2  TYR  44           HE1      TYR  44  76.360   1.274  -1.282
  341    HH   TYR  44           HH       TYR  44  73.661   2.002  -1.050
  342    H    ALA  45           HN       ALA  45  80.460   1.549   3.060
  343    HA   ALA  45           HA       ALA  45  82.222   3.070   4.777
  344   1HB   ALA  45           HB2      ALA  45  80.677   1.855   6.408
  345   2HB   ALA  45           HB1      ALA  45  81.421   0.359   5.843
  346   3HB   ALA  45           HB3      ALA  45  82.403   1.587   6.641
  347    H    CYS  46           HN       CYS  46  84.345   2.521   4.371
  348    HA   CYS  46           HA       CYS  46  84.782   0.151   2.599
  349   1HB   CYS  46          2HB       CYS  46  86.551   2.601   2.947
  350   2HB   CYS  46          3HB       CYS  46  86.808   1.288   1.795
  351    HG   CYS  46           HG       CYS  46  84.531   2.033   0.621
  352    H    SER  47           HN       SER  47  85.913  -1.500   3.527
  353    HA   SER  47           HA       SER  47  87.337  -0.877   6.077
  354   1HB   SER  47          2HB       SER  47  87.076  -3.458   6.358
  355   2HB   SER  47          3HB       SER  47  85.670  -2.428   6.612
  356    HG   SER  47           HG       SER  47  84.827  -3.104   4.765
  357    H    VAL  48           HN       VAL  48  89.519  -1.163   6.143
  358    HA   VAL  48           HA       VAL  48  90.747  -2.817   3.969
  359    HB   VAL  48           HB       VAL  48  91.161  -0.429   3.516
  360   1HG1  VAL  48          HG13      VAL  48  91.040   0.004   6.141
  361   2HG1  VAL  48          HG12      VAL  48  92.789  -0.181   6.005
  362   3HG1  VAL  48          HG11      VAL  48  91.960   1.072   5.082
  363   1HG2  VAL  48          HG23      VAL  48  92.949  -2.247   3.194
  364   2HG2  VAL  48          HG22      VAL  48  93.512  -0.576   3.224
  365   3HG2  VAL  48          HG21      VAL  48  93.699  -1.597   4.651
  366    H    VAL  49           HN       VAL  49  92.889  -3.641   4.550
  367    HA   VAL  49           HA       VAL  49  93.046  -4.247   7.470
  368    HB   VAL  49           HB       VAL  49  94.500  -5.588   5.175
  369   1HG1  VAL  49          HG11      VAL  49  95.096  -5.586   7.858
  370   2HG1  VAL  49          HG13      VAL  49  94.078  -7.018   7.710
  371   3HG1  VAL  49          HG12      VAL  49  95.538  -6.869   6.732
  372   1HG2  VAL  49          HG22      VAL  49  91.883  -6.184   6.537
  373   2HG2  VAL  49          HG21      VAL  49  92.259  -6.195   4.814
  374   3HG2  VAL  49          HG23      VAL  49  92.848  -7.492   5.853
  375    H    VAL  50           HN       VAL  50  94.730  -3.296   8.623
  376    HA   VAL  50           HA       VAL  50  96.923  -2.138   6.963
  377    HB   VAL  50           HB       VAL  50  95.522  -0.982   9.384
  378   1HG1  VAL  50          HG11      VAL  50  98.261  -0.510   8.311
  379   2HG1  VAL  50          HG13      VAL  50  97.325   0.913   8.767
  380   3HG1  VAL  50          HG12      VAL  50  97.655  -0.344   9.958
  381   1HG2  VAL  50          HG22      VAL  50  95.106  -0.688   6.652
  382   2HG2  VAL  50          HG21      VAL  50  94.564   0.434   7.899
  383   3HG2  VAL  50          HG23      VAL  50  96.092   0.714   7.066
  384    H    ASP  51           HN       ASP  51  98.986  -2.032   7.956
  385    HA   ASP  51           HA       ASP  51  99.925  -4.342   9.173
  386   1HB   ASP  51          2HB       ASP  51 101.310  -2.508   8.125
  387   2HB   ASP  51          3HB       ASP  51 101.101  -1.594   9.621
  388    H    GLY  52           HN       GLY  52  98.187  -1.816  10.582
  389   1HA   GLY  52          2HA       GLY  52  99.062  -2.548  13.309
  390   2HA   GLY  52          3HA       GLY  52  98.007  -1.195  12.900
  391    H    GLU  53           HN       GLU  53  95.937  -2.194  11.565
  392    HA   GLU  53           HA       GLU  53  95.005  -4.722  12.670
  393   1HB   GLU  53          2HB       GLU  53  93.190  -3.777  14.055
  394   2HB   GLU  53          3HB       GLU  53  94.777  -3.309  14.671
  395   1HG   GLU  53          2HG       GLU  53  94.587  -1.153  13.441
  396   2HG   GLU  53          3HG       GLU  53  92.963  -1.614  12.929
  397    H    VAL  54           HN       VAL  54  92.608  -5.016  12.167
  398    HA   VAL  54           HA       VAL  54  92.087  -4.219   9.435
  399    HB   VAL  54           HB       VAL  54  89.935  -5.429   9.873
  400   1HG1  VAL  54          HG12      VAL  54  92.238  -6.514   9.309
  401   2HG1  VAL  54          HG11      VAL  54  92.210  -7.053  10.987
  402   3HG1  VAL  54          HG13      VAL  54  90.939  -7.562   9.876
  403   1HG2  VAL  54          HG21      VAL  54  90.866  -5.006  12.611
  404   2HG2  VAL  54          HG23      VAL  54  89.247  -5.399  12.031
  405   3HG2  VAL  54          HG22      VAL  54  90.424  -6.684  12.297
  406    H    LYS  55           HN       LYS  55  90.744  -2.510   8.775
  407    HA   LYS  55           HA       LYS  55  89.433  -0.983  10.997
  408   1HB   LYS  55          2HB       LYS  55  90.922   0.052   8.584
  409   2HB   LYS  55          3HB       LYS  55  89.901   1.069   9.601
  410   1HG   LYS  55          2HG       LYS  55  91.512   1.237  11.160
  411   2HG   LYS  55          3HG       LYS  55  91.682  -0.518  11.240
  412   1HD   LYS  55          2HD       LYS  55  93.143  -0.496   9.286
  413   2HD   LYS  55          3HD       LYS  55  92.940   1.247   9.132
  414   1HE   LYS  55          2HE       LYS  55  93.772   1.279  11.629
  415   2HE   LYS  55          3HE       LYS  55  94.440  -0.302  11.221
  416   1HZ   LYS  55           HZ3      LYS  55  94.937   1.746   9.252
  417   2HZ   LYS  55           HZ2      LYS  55  95.663   2.046  10.760
  418   3HZ   LYS  55           HZ1      LYS  55  95.995   0.605   9.925
  419    H    HIS  56           HN       HIS  56  87.528   0.224  10.418
  420    HA   HIS  56           HA       HIS  56  86.179  -0.731   7.920
  421   1HB   HIS  56          2HB       HIS  56  84.892  -0.075  10.595
  422   2HB   HIS  56          3HB       HIS  56  84.037  -0.574   9.140
  423    HD1  HIS  56           HD1      HIS  56  86.118  -2.843   8.332
  424    HD2  HIS  56           HD2      HIS  56  84.327  -2.400  12.070
  425    HE1  HIS  56           HE1      HIS  56  86.168  -5.127   9.429
  426    H    CYS  57           HN       CYS  57  87.158   1.347   6.994
  427    HA   CYS  57           HA       CYS  57  86.529   3.903   8.092
  428   1HB   CYS  57          2HB       CYS  57  86.907   3.137   5.174
  429   2HB   CYS  57          3HB       CYS  57  86.892   4.785   5.793
  430    HG   CYS  57           HG       CYS  57  89.061   4.215   7.179
  431    H    VAL  58           HN       VAL  58  84.655   5.032   8.142
  432    HA   VAL  58           HA       VAL  58  82.318   3.785   6.792
  433    HB   VAL  58           HB       VAL  58  82.677   5.364   9.308
  434   1HG1  VAL  58          HG13      VAL  58  80.153   5.157   7.644
  435   2HG1  VAL  58          HG12      VAL  58  80.132   5.514   9.372
  436   3HG1  VAL  58          HG11      VAL  58  80.924   6.622   8.252
  437   1HG2  VAL  58          HG22      VAL  58  82.611   2.816   9.142
  438   2HG2  VAL  58          HG21      VAL  58  81.454   3.536  10.262
  439   3HG2  VAL  58          HG23      VAL  58  80.918   2.981   8.676
  440    H    ILE  59           HN       ILE  59  81.401   4.821   5.131
  441    HA   ILE  59           HA       ILE  59  81.898   7.742   4.835
  442    HB   ILE  59           HB       ILE  59  81.285   7.040   2.321
  443   1HG1  ILE  59          HG12      ILE  59  82.745   4.608   3.359
  444   2HG1  ILE  59          HG11      ILE  59  81.008   4.635   3.061
  445   1HG2  ILE  59          HG21      ILE  59  83.799   7.284   3.838
  446   2HG2  ILE  59          HG23      ILE  59  83.959   6.407   2.316
  447   3HG2  ILE  59          HG22      ILE  59  83.323   8.052   2.323
  448   1HD1  ILE  59          HD11      ILE  59  83.148   5.249   1.000
  449   2HD1  ILE  59          HD13      ILE  59  82.253   3.732   1.114
  450   3HD1  ILE  59          HD12      ILE  59  81.408   5.226   0.707
  451    H    ASN  60           HN       ASN  60  80.053   9.011   4.651
  452    HA   ASN  60           HA       ASN  60  77.461   7.541   4.350
  453   1HB   ASN  60          2HB       ASN  60  76.439   9.135   5.910
  454   2HB   ASN  60          3HB       ASN  60  77.801   8.322   6.680
  455   1HD2  ASN  60          HD22      ASN  60  79.384  11.372   7.392
  456   2HD2  ASN  60          HD21      ASN  60  79.118   9.748   7.807
  457    H    LYS  61           HN       LYS  61  76.085   8.336   2.812
  458    HA   LYS  61           HA       LYS  61  76.978  10.766   1.361
  459   1HB   LYS  61          2HB       LYS  61  75.729   9.975  -0.515
  460   2HB   LYS  61          3HB       LYS  61  76.585   8.579   0.135
  461   1HG   LYS  61          2HG       LYS  61  74.487   8.049   1.467
  462   2HG   LYS  61          3HG       LYS  61  73.668   9.282   0.505
  463   1HD   LYS  61          2HD       LYS  61  74.495   8.048  -1.562
  464   2HD   LYS  61          3HD       LYS  61  74.965   6.735  -0.483
  465   1HE   LYS  61          2HE       LYS  61  72.766   6.194  -1.268
  466   2HE   LYS  61          3HE       LYS  61  72.572   6.760   0.391
  467   1HZ   LYS  61           HZ3      LYS  61  72.370   8.630  -1.882
  468   2HZ   LYS  61           HZ2      LYS  61  71.031   7.702  -1.395
  469   3HZ   LYS  61           HZ1      LYS  61  71.751   8.793  -0.311
  470    H    THR  62           HN       THR  62  75.970  12.609   1.770
  471    HA   THR  62           HA       THR  62  73.050  12.604   2.287
  472    HB   THR  62           HB       THR  62  75.064  14.012   4.075
  473    HG1  THR  62           HG1      THR  62  74.654  12.461   5.503
  474   1HG2  THR  62          HG22      THR  62  72.899  15.209   3.698
  475   2HG2  THR  62          HG21      THR  62  72.052  13.784   4.304
  476   3HG2  THR  62          HG23      THR  62  73.127  14.692   5.369
  477    H    ALA  63           HN       ALA  63  72.102  14.714   1.775
  478    HA   ALA  63           HA       ALA  63  72.797  15.998  -0.491
  479   1HB   ALA  63           HB3      ALA  63  71.597  17.002   2.034
  480   2HB   ALA  63           HB2      ALA  63  72.177  18.233   0.912
  481   3HB   ALA  63           HB1      ALA  63  70.968  17.062   0.387
  482    H    THR  64           HN       THR  64  74.341  16.705   2.658
  483    HA   THR  64           HA       THR  64  76.543  18.041   1.146
  484    HB   THR  64           HB       THR  64  76.790  18.940   3.714
  485    HG1  THR  64           HG1      THR  64  74.032  19.000   3.166
  486   1HG2  THR  64          HG22      THR  64  75.411  20.047   1.285
  487   2HG2  THR  64          HG21      THR  64  75.456  20.983   2.779
  488   3HG2  THR  64          HG23      THR  64  76.960  20.513   1.988
  489    H    GLY  65           HN       GLY  65  76.124  15.115   2.108
  490   1HA   GLY  65          2HA       GLY  65  78.676  14.989   3.673
  491   2HA   GLY  65          3HA       GLY  65  77.310  13.950   4.064
  492    H    TYR  66           HN       TYR  66  79.663  12.727   3.562
  493    HA   TYR  66           HA       TYR  66  79.087  10.997   1.320
  494   1HB   TYR  66          2HB       TYR  66  81.452  12.869   1.115
  495   2HB   TYR  66          3HB       TYR  66  81.217  11.454   0.087
  496    HD1  TYR  66           HD1      TYR  66  79.224  11.330  -1.434
  497    HD2  TYR  66           HD2      TYR  66  80.222  14.890   0.756
  498    HE1  TYR  66           HE1      TYR  66  77.734  12.657  -2.910
  499    HE2  TYR  66           HE2      TYR  66  78.729  16.215  -0.716
  500    HH   TYR  66           HH       TYR  66  76.693  15.745  -2.158
  501    H    GLY  67           HN       GLY  67  81.238  12.114   3.809
  502   1HA   GLY  67          2HA       GLY  67  81.737   9.959   5.310
  503   2HA   GLY  67          3HA       GLY  67  82.692   9.534   3.883
  504    H    PHE  68           HN       PHE  68  84.563   9.694   5.472
  505    HA   PHE  68           HA       PHE  68  85.254  12.271   6.577
  506   1HB   PHE  68          2HB       PHE  68  87.464  11.310   6.972
  507   2HB   PHE  68          3HB       PHE  68  86.235  10.114   7.382
  508    HD1  PHE  68           HD1      PHE  68  85.667   8.308   5.710
  509    HD2  PHE  68           HD2      PHE  68  89.053  10.907   5.252
  510    HE1  PHE  68           HE1      PHE  68  86.666   6.720   4.088
  511    HE2  PHE  68           HE2      PHE  68  90.051   9.322   3.628
  512    HZ   PHE  68           HZ       PHE  68  88.860   7.228   3.046
  513    H    ALA  69           HN       ALA  69  84.950  11.293   3.468
  514    HA   ALA  69           HA       ALA  69  87.164  12.176   2.005
  515   1HB   ALA  69           HB2      ALA  69  84.627  11.362   1.399
  516   2HB   ALA  69           HB1      ALA  69  84.553  13.066   0.960
  517   3HB   ALA  69           HB3      ALA  69  85.761  12.017   0.219
  518    H    GLU  70           HN       GLU  70  87.931  14.176   1.364
  519    HA   GLU  70           HA       GLU  70  86.739  16.569   2.709
  520   1HB   GLU  70          2HB       GLU  70  89.140  15.943   3.241
  521   2HB   GLU  70          3HB       GLU  70  89.529  16.224   1.545
  522   1HG   GLU  70          2HG       GLU  70  88.735  18.561   1.762
  523   2HG   GLU  70          3HG       GLU  70  88.399  18.276   3.471
  524    HA   PRO  71           HA       PRO  71  85.155  18.057  -1.172
  525   1HB   PRO  71          2HB       PRO  71  86.629  20.571  -0.534
  526   2HB   PRO  71          3HB       PRO  71  84.928  20.342  -0.982
  527   1HG   PRO  71          2HG       PRO  71  85.816  20.793   1.567
  528   2HG   PRO  71          3HG       PRO  71  84.286  20.009   1.153
  529   1HD   PRO  71          2HD       PRO  71  86.627  18.831   2.402
  530   2HD   PRO  71          3HD       PRO  71  85.039  18.096   2.125
  531    H    TYR  72           HN       TYR  72  88.545  18.770  -0.342
  532    HA   TYR  72           HA       TYR  72  89.425  19.255  -3.024
  533   1HB   TYR  72          2HB       TYR  72  90.893  18.280  -0.560
  534   2HB   TYR  72          3HB       TYR  72  91.703  18.638  -2.084
  535    HD1  TYR  72           HD2      TYR  72  91.549  20.962  -3.057
  536    HD2  TYR  72           HD1      TYR  72  90.196  20.022   0.910
  537    HE1  TYR  72           HE2      TYR  72  91.589  23.370  -2.474
  538    HE2  TYR  72           HE1      TYR  72  90.241  22.433   1.496
  539    HH   TYR  72           HH       TYR  72  90.337  24.857  -0.721
  540    H    ASN  73           HN       ASN  73  89.048  16.295  -1.113
  541    HA   ASN  73           HA       ASN  73  90.329  14.612  -3.115
  542   1HB   ASN  73          2HB       ASN  73  88.459  13.872  -0.841
  543   2HB   ASN  73          3HB       ASN  73  89.437  12.741  -1.775
  544   1HD2  ASN  73          HD22      ASN  73  91.124  14.279   1.421
  545   2HD2  ASN  73          HD21      ASN  73  89.463  14.023   1.183
  546    H    LEU  74           HN       LEU  74  87.034  14.056  -1.940
  547    HA   LEU  74           HA       LEU  74  85.813  12.809  -3.955
  548   1HB   LEU  74          2HB       LEU  74  84.680  15.345  -2.745
  549   2HB   LEU  74          3HB       LEU  74  83.744  14.092  -3.563
  550    HG   LEU  74           HG       LEU  74  85.351  13.779  -1.013
  551   1HD1  LEU  74          HD11      LEU  74  82.527  14.278  -1.677
  552   2HD1  LEU  74          HD13      LEU  74  82.771  12.921  -0.581
  553   3HD1  LEU  74          HD12      LEU  74  83.379  14.520  -0.152
  554   1HD2  LEU  74          HD21      LEU  74  84.149  11.807  -2.922
  555   2HD2  LEU  74          HD23      LEU  74  85.620  11.674  -1.957
  556   3HD2  LEU  74          HD22      LEU  74  84.043  11.461  -1.196
  557    H    TYR  75           HN       TYR  75  87.087  13.281  -5.871
  558    HA   TYR  75           HA       TYR  75  87.114  15.842  -7.129
  559   1HB   TYR  75          2HB       TYR  75  88.642  13.946  -7.732
  560   2HB   TYR  75          3HB       TYR  75  87.269  13.156  -8.511
  561    HD1  TYR  75           HD2      TYR  75  89.610  15.994  -8.653
  562    HD2  TYR  75           HD1      TYR  75  86.304  14.047 -10.587
  563    HE1  TYR  75           HE2      TYR  75  90.003  17.353 -10.689
  564    HE2  TYR  75           HE1      TYR  75  86.698  15.409 -12.627
  565    HH   TYR  75           HH       TYR  75  87.891  17.053 -13.546
  566    H    SER  76           HN       SER  76  84.930  13.099  -7.462
  567    HA   SER  76           HA       SER  76  82.796  14.894  -8.325
  568   1HB   SER  76          2HB       SER  76  82.470  13.981 -10.535
  569   2HB   SER  76          3HB       SER  76  84.141  14.528 -10.412
  570    HG   SER  76           HG       SER  76  83.313  11.871  -9.864
  571    H    SER  77           HN       SER  77  83.754  11.416  -8.346
  572    HA   SER  77           HA       SER  77  81.188  10.868  -6.946
  573   1HB   SER  77          2HB       SER  77  80.678   9.014  -8.476
  574   2HB   SER  77          3HB       SER  77  80.765  10.538  -9.356
  575    HG   SER  77           HG       SER  77  82.131   8.346  -9.804
  576    H    LEU  78           HN       LEU  78  81.104   8.456  -6.341
  577    HA   LEU  78           HA       LEU  78  83.282   7.845  -4.627
  578   1HB   LEU  78          2HB       LEU  78  81.073   6.113  -5.759
  579   2HB   LEU  78          3HB       LEU  78  82.209   5.550  -4.536
  580    HG   LEU  78           HG       LEU  78  81.047   8.137  -3.838
  581   1HD1  LEU  78          HD12      LEU  78  79.154   7.085  -5.155
  582   2HD1  LEU  78          HD11      LEU  78  79.159   5.768  -3.982
  583   3HD1  LEU  78          HD13      LEU  78  78.775   7.411  -3.464
  584   1HD2  LEU  78          HD21      LEU  78  82.285   6.577  -2.325
  585   2HD2  LEU  78          HD23      LEU  78  80.680   6.978  -1.714
  586   3HD2  LEU  78          HD22      LEU  78  80.965   5.418  -2.487
  587    H    LYS  79           HN       LYS  79  82.561   6.803  -7.943
  588    HA   LYS  79           HA       LYS  79  84.373   4.679  -8.207
  589   1HB   LYS  79          2HB       LYS  79  82.801   5.459  -9.988
  590   2HB   LYS  79          3HB       LYS  79  83.862   6.839 -10.270
  591   1HG   LYS  79          2HG       LYS  79  85.717   5.324 -10.812
  592   2HG   LYS  79          3HG       LYS  79  84.675   3.932 -10.515
  593   1HD   LYS  79          2HD       LYS  79  83.100   5.063 -12.276
  594   2HD   LYS  79          3HD       LYS  79  84.560   5.931 -12.758
  595   1HE   LYS  79          2HE       LYS  79  85.732   3.809 -13.114
  596   2HE   LYS  79          3HE       LYS  79  84.311   2.917 -12.568
  597   1HZ   LYS  79           HZ3      LYS  79  84.110   4.841 -14.793
  598   2HZ   LYS  79           HZ2      LYS  79  84.658   3.257 -15.072
  599   3HZ   LYS  79           HZ1      LYS  79  83.108   3.522 -14.429
  600    H    GLU  80           HN       GLU  80  85.047   8.159  -8.706
  601    HA   GLU  80           HA       GLU  80  87.889   7.678  -9.116
  602   1HB   GLU  80          2HB       GLU  80  86.369  10.225  -8.461
  603   2HB   GLU  80          3HB       GLU  80  88.059  10.154  -8.961
  604   1HG   GLU  80          2HG       GLU  80  87.441   9.182 -11.100
  605   2HG   GLU  80          3HG       GLU  80  85.753   9.070 -10.599
  606    H    LEU  81           HN       LEU  81  85.808   8.026  -6.396
  607    HA   LEU  81           HA       LEU  81  87.718   8.995  -4.478
  608   1HB   LEU  81          2HB       LEU  81  85.258   9.002  -4.130
  609   2HB   LEU  81          3HB       LEU  81  85.284   7.243  -4.033
  610    HG   LEU  81           HG       LEU  81  87.008   8.943  -2.238
  611   1HD1  LEU  81          HD12      LEU  81  84.159   8.862  -2.241
  612   2HD1  LEU  81          HD11      LEU  81  84.716   7.937  -0.848
  613   3HD1  LEU  81          HD13      LEU  81  85.222   9.614  -1.053
  614   1HD2  LEU  81          HD21      LEU  81  86.247   6.081  -2.485
  615   2HD2  LEU  81          HD23      LEU  81  87.736   6.800  -1.872
  616   3HD2  LEU  81          HD22      LEU  81  86.306   6.718  -0.844
  617    H    VAL  82           HN       VAL  82  86.703   5.702  -5.428
  618    HA   VAL  82           HA       VAL  82  88.386   4.361  -3.533
  619    HB   VAL  82           HB       VAL  82  86.456   3.395  -4.996
  620   1HG1  VAL  82          HG13      VAL  82  87.759   4.125  -7.120
  621   2HG1  VAL  82          HG12      VAL  82  88.729   2.684  -6.841
  622   3HG1  VAL  82          HG11      VAL  82  86.994   2.541  -7.120
  623   1HG2  VAL  82          HG22      VAL  82  88.315   2.220  -3.479
  624   2HG2  VAL  82          HG21      VAL  82  87.188   1.278  -4.456
  625   3HG2  VAL  82          HG23      VAL  82  88.825   1.576  -5.038
  626    H    LEU  83           HN       LEU  83  88.871   5.322  -6.925
  627    HA   LEU  83           HA       LEU  83  91.526   4.231  -7.155
  628   1HB   LEU  83          2HB       LEU  83  90.186   4.800  -9.131
  629   2HB   LEU  83          3HB       LEU  83  90.172   6.498  -8.652
  630    HG   LEU  83           HG       LEU  83  92.635   6.564  -8.839
  631   1HD1  LEU  83          HD12      LEU  83  92.187   3.656  -9.331
  632   2HD1  LEU  83          HD11      LEU  83  93.462   4.441 -10.264
  633   3HD1  LEU  83          HD13      LEU  83  93.519   4.462  -8.501
  634   1HD2  LEU  83          HD23      LEU  83  90.857   5.836 -11.120
  635   2HD2  LEU  83          HD22      LEU  83  91.764   7.320 -10.834
  636   3HD2  LEU  83          HD21      LEU  83  92.592   5.882 -11.434
  637    H    HIS  84           HN       HIS  84  90.287   7.468  -6.363
  638    HA   HIS  84           HA       HIS  84  92.815   8.755  -6.148
  639   1HB   HIS  84          2HB       HIS  84  90.654   9.966  -6.234
  640   2HB   HIS  84          3HB       HIS  84  90.270   9.368  -4.618
  641    HD1  HIS  84           HD1      HIS  84  92.964  11.412  -6.373
  642    HD2  HIS  84           HD2      HIS  84  91.321  10.910  -2.576
  643    HE1  HIS  84           HE1      HIS  84  94.059  13.144  -4.884
  644    H    TYR  85           HN       TYR  85  90.900   6.963  -3.729
  645    HA   TYR  85           HA       TYR  85  92.601   7.592  -1.512
  646   1HB   TYR  85          2HB       TYR  85  90.771   5.238  -2.040
  647   2HB   TYR  85          3HB       TYR  85  91.649   5.434  -0.528
  648    HD1  TYR  85           HD2      TYR  85  90.703   8.564  -2.087
  649    HD2  TYR  85           HD1      TYR  85  89.302   5.422   0.488
  650    HE1  TYR  85           HE2      TYR  85  88.913  10.046  -1.249
  651    HE2  TYR  85           HE1      TYR  85  87.510   6.915   1.327
  652    HH   TYR  85           HH       TYR  85  87.406   9.841   1.345
  653    H    GLN  86           HN       GLN  86  92.881   5.315  -4.127
  654    HA   GLN  86           HA       GLN  86  94.862   3.590  -2.975
  655   1HB   GLN  86          2HB       GLN  86  93.742   2.914  -5.010
  656   2HB   GLN  86          3HB       GLN  86  94.315   4.354  -5.856
  657   1HG   GLN  86          2HG       GLN  86  96.623   3.620  -5.656
  658   2HG   GLN  86          3HG       GLN  86  96.140   2.246  -4.670
  659   1HE2  GLN  86          HE22      GLN  86  95.152   2.149  -8.673
  660   2HE2  GLN  86          HE21      GLN  86  95.195   3.644  -7.872
  661    H    HIS  87           HN       HIS  87  95.076   6.695  -4.652
  662    HA   HIS  87           HA       HIS  87  98.030   6.587  -4.578
  663   1HB   HIS  87          2HB       HIS  87  96.843   7.504  -6.563
  664   2HB   HIS  87          3HB       HIS  87  96.180   8.785  -5.550
  665    HD1  HIS  87           HD1      HIS  87  99.580   7.418  -6.608
  666    HD2  HIS  87           HD2      HIS  87  97.849  10.977  -5.300
  667    HE1  HIS  87           HE1      HIS  87 101.383   9.190  -6.760
  668    H    THR  88           HN       THR  88  95.418   7.789  -2.679
  669    HA   THR  88           HA       THR  88  97.239   9.666  -1.246
  670    HB   THR  88           HB       THR  88  94.243   9.258  -0.983
  671    HG1  THR  88           HG1      THR  88  95.193  11.631  -1.937
  672   1HG2  THR  88          HG22      THR  88  96.181  11.227   0.240
  673   2HG2  THR  88          HG21      THR  88  94.443  11.519   0.176
  674   3HG2  THR  88          HG23      THR  88  95.073  10.136   1.073
  675    H    SER  89           HN       SER  89  98.192   8.940   0.579
  676    HA   SER  89           HA       SER  89  97.530   6.351   1.702
  677   1HB   SER  89          2HB       SER  89  99.822   7.403   1.723
  678   2HB   SER  89          3HB       SER  89  99.228   8.541   2.928
  679    HG   SER  89           HG       SER  89  99.188   5.706   3.152
  680    H    LEU  90           HN       LEU  90  96.162   5.909   3.401
  681    HA   LEU  90           HA       LEU  90  94.241   7.834   4.227
  682   1HB   LEU  90          2HB       LEU  90  95.072   5.183   5.392
  683   2HB   LEU  90          3HB       LEU  90  93.764   6.146   6.080
  684    HG   LEU  90           HG       LEU  90  93.909   5.255   3.190
  685   1HD1  LEU  90          HD13      LEU  90  93.299   3.728   5.475
  686   2HD1  LEU  90          HD12      LEU  90  91.738   4.161   4.780
  687   3HD1  LEU  90          HD11      LEU  90  92.935   3.312   3.802
  688   1HD2  LEU  90          HD22      LEU  90  92.103   6.981   4.807
  689   2HD2  LEU  90          HD21      LEU  90  92.477   7.049   3.085
  690   3HD2  LEU  90          HD23      LEU  90  91.320   5.863   3.690
  691    H    VAL  91           HN       VAL  91  97.190   6.690   5.924
  692    HA   VAL  91           HA       VAL  91  97.866   7.425   8.171
  693    HB   VAL  91           HB       VAL  91  98.248   9.631   6.114
  694   1HG1  VAL  91          HG13      VAL  91  98.464  10.346   8.584
  695   2HG1  VAL  91          HG12      VAL  91  99.871   9.280   8.629
  696   3HG1  VAL  91          HG11      VAL  91  99.840  10.656   7.531
  697   1HG2  VAL  91          HG22      VAL  91  99.865   7.268   7.061
  698   2HG2  VAL  91          HG21      VAL  91  99.346   7.652   5.422
  699   3HG2  VAL  91          HG23      VAL  91 100.603   8.615   6.193
  700    H    GLN  92           HN       GLN  92  96.601  10.495   6.857
  701    HA   GLN  92           HA       GLN  92  94.912  11.917   7.651
  702   1HB   GLN  92          2HB       GLN  92  93.774   9.549   7.959
  703   2HB   GLN  92          3HB       GLN  92  94.028   9.889   9.671
  704   1HG   GLN  92          2HG       GLN  92  93.029  12.288   8.701
  705   2HG   GLN  92          3HG       GLN  92  92.112  11.081   7.799
  706   1HE2  GLN  92          HE22      GLN  92  90.351   9.893  10.658
  707   2HE2  GLN  92          HE21      GLN  92  90.754   9.577   9.039
  708    H    HIS  93           HN       HIS  93  94.028  12.664  10.027
  709    HA   HIS  93           HA       HIS  93  96.267  13.823  11.343
  710   1HB   HIS  93          2HB       HIS  93  93.916  14.685  11.485
  711   2HB   HIS  93          3HB       HIS  93  93.520  13.321  12.532
  712    HD1  HIS  93           HD1      HIS  93  96.003  16.217  12.418
  713    HD2  HIS  93           HD2      HIS  93  94.061  13.802  15.207
  714    HE1  HIS  93           HE1      HIS  93  96.635  17.109  14.702
  715    H    ASN  94           HN       ASN  94  94.395  10.901  12.050
  716    HA   ASN  94           HA       ASN  94  95.515  10.249  14.561
  717   1HB   ASN  94          2HB       ASN  94  93.647   9.013  13.390
  718   2HB   ASN  94          3HB       ASN  94  94.867   8.286  12.342
  719   1HD2  ASN  94          HD22      ASN  94  94.188   6.196  15.486
  720   2HD2  ASN  94          HD21      ASN  94  93.106   6.979  14.439
  721    H    ASP  95           HN       ASP  95  96.805  10.080  11.333
  722    HA   ASP  95           HA       ASP  95  98.941   9.603  10.547
  723   1HB   ASP  95          2HB       ASP  95  99.588  10.089  13.462
  724   2HB   ASP  95          3HB       ASP  95 100.816   9.821  12.226
  725    H    SER  96           HN       SER  96  97.205   7.387  11.246
  726    HA   SER  96           HA       SER  96  99.349   5.405  11.727
  727   1HB   SER  96          2HB       SER  96  97.874   4.095  13.225
  728   2HB   SER  96          3HB       SER  96  98.211   5.694  13.882
  729    HG   SER  96           HG       SER  96  95.856   4.619  12.866
  730    H    LEU  97           HN       LEU  97  96.977   6.404   9.680
  731    HA   LEU  97           HA       LEU  97  96.278   3.624   8.848
  732   1HB   LEU  97          2HB       LEU  97  95.194   6.261   7.790
  733   2HB   LEU  97          3HB       LEU  97  94.574   4.646   7.436
  734    HG   LEU  97           HG       LEU  97  94.707   5.829  10.215
  735   1HD1  LEU  97          HD13      LEU  97  92.899   6.415   8.098
  736   2HD1  LEU  97          HD12      LEU  97  92.038   5.390   9.249
  737   3HD1  LEU  97          HD11      LEU  97  92.776   6.898   9.790
  738   1HD2  LEU  97          HD23      LEU  97  93.679   3.276   9.002
  739   2HD2  LEU  97          HD22      LEU  97  94.694   3.490  10.428
  740   3HD2  LEU  97          HD21      LEU  97  92.978   3.895  10.496
  741    H    ASN  98           HN       ASN  98  98.811   3.802   8.344
  742    HA   ASN  98           HA       ASN  98  99.392   5.243   5.873
  743   1HB   ASN  98          2HB       ASN  98 101.060   4.834   7.721
  744   2HB   ASN  98          3HB       ASN  98 101.095   3.140   7.221
  745   1HD2  ASN  98          HD22      ASN  98 103.668   5.335   5.365
  746   2HD2  ASN  98          HD21      ASN  98 103.233   5.328   7.006
  747    H    VAL  99           HN       VAL  99  97.500   4.054   4.825
  748    HA   VAL  99           HA       VAL  99  98.619   1.884   3.187
  749    HB   VAL  99           HB       VAL  99  96.075   1.492   4.794
  750   1HG1  VAL  99          HG11      VAL  99  97.308   0.063   2.463
  751   2HG1  VAL  99          HG13      VAL  99  96.402  -0.863   3.660
  752   3HG1  VAL  99          HG12      VAL  99  95.613   0.439   2.769
  753   1HG2  VAL  99          HG21      VAL  99  98.761   0.088   4.839
  754   2HG2  VAL  99          HG23      VAL  99  98.069   1.071   6.131
  755   3HG2  VAL  99          HG22      VAL  99  97.326  -0.465   5.695
  756    H    THR 100           HN       THR 100  97.501   1.708   1.192
  757    HA   THR 100           HA       THR 100  95.481   3.867   0.735
  758    HB   THR 100           HB       THR 100  96.408   4.202  -1.456
  759    HG1  THR 100           HG1      THR 100  96.860   1.818  -1.593
  760   1HG2  THR 100          HG23      THR 100  98.086   4.314   0.909
  761   2HG2  THR 100          HG22      THR 100  99.059   4.070  -0.540
  762   3HG2  THR 100          HG21      THR 100  97.976   5.456  -0.430
  763    H    LEU 101           HN       LEU 101  93.757   3.312  -0.758
  764    HA   LEU 101           HA       LEU 101  93.034   0.477  -0.659
  765   1HB   LEU 101          2HB       LEU 101  91.710   2.758  -2.176
  766   2HB   LEU 101          3HB       LEU 101  90.991   1.186  -1.824
  767    HG   LEU 101           HG       LEU 101  91.773   3.334   0.160
  768   1HD1  LEU 101          HD11      LEU 101  89.137   1.981  -0.490
  769   2HD1  LEU 101          HD13      LEU 101  89.380   3.187   0.774
  770   3HD1  LEU 101          HD12      LEU 101  89.586   3.632  -0.920
  771   1HD2  LEU 101          HD22      LEU 101  91.220   0.413   0.514
  772   2HD2  LEU 101          HD21      LEU 101  92.393   1.427   1.341
  773   3HD2  LEU 101          HD23      LEU 101  90.683   1.536   1.757
  774    H    ALA 102           HN       ALA 102  95.179  -0.001  -1.842
  775    HA   ALA 102           HA       ALA 102  94.978   0.457  -4.758
  776   1HB   ALA 102           HB1      ALA 102  97.101   0.736  -3.110
  777   2HB   ALA 102           HB3      ALA 102  97.351  -0.924  -3.648
  778   3HB   ALA 102           HB2      ALA 102  97.259   0.379  -4.830
  779    H    TYR 103           HN       TYR 103  94.716  -2.239  -2.489
  780    HA   TYR 103           HA       TYR 103  94.740  -4.041  -4.884
  781   1HB   TYR 103          2HB       TYR 103  96.465  -4.543  -3.176
  782   2HB   TYR 103          3HB       TYR 103  95.191  -4.779  -1.983
  783    HD1  TYR 103           HD2      TYR 103  96.551  -6.032  -5.209
  784    HD2  TYR 103           HD1      TYR 103  93.942  -6.810  -1.891
  785    HE1  TYR 103           HE2      TYR 103  96.264  -8.370  -5.985
  786    HE2  TYR 103           HE1      TYR 103  93.650  -9.149  -2.663
  787    HH   TYR 103           HH       TYR 103  94.919 -10.795  -4.051
  788    HA   PRO 104           HA       PRO 104  90.281  -4.104  -3.901
  789   1HB   PRO 104          2HB       PRO 104  90.207  -5.874  -6.257
  790   2HB   PRO 104          3HB       PRO 104  89.355  -4.358  -5.959
  791   1HG   PRO 104          2HG       PRO 104  91.394  -4.603  -7.713
  792   2HG   PRO 104          3HG       PRO 104  90.986  -3.094  -6.884
  793   1HD   PRO 104          2HD       PRO 104  93.256  -4.949  -6.404
  794   2HD   PRO 104          3HD       PRO 104  93.132  -3.203  -6.094
  795    H    VAL 105           HN       VAL 105  89.062  -5.742  -2.880
  796    HA   VAL 105           HA       VAL 105  90.483  -8.055  -1.918
  797    HB   VAL 105           HB       VAL 105  88.662  -6.994  -0.650
  798   1HG1  VAL 105          HG12      VAL 105  87.129  -7.747  -3.116
  799   2HG1  VAL 105          HG11      VAL 105  86.285  -7.729  -1.570
  800   3HG1  VAL 105          HG13      VAL 105  87.059  -6.262  -2.177
  801   1HG2  VAL 105          HG23      VAL 105  89.051  -9.755  -1.069
  802   2HG2  VAL 105          HG22      VAL 105  88.277  -8.991   0.320
  803   3HG2  VAL 105          HG21      VAL 105  87.303  -9.524  -1.051
  804    H    TYR 106           HN       TYR 106  88.566  -7.431  -4.730
  805    HA   TYR 106           HA       TYR 106  88.728 -10.320  -5.463
  806   1HB   TYR 106          2HB       TYR 106  86.549  -8.316  -6.090
  807   2HB   TYR 106          3HB       TYR 106  86.675  -9.891  -6.869
  808    HD1  TYR 106           HD1      TYR 106  86.931 -11.940  -5.178
  809    HD2  TYR 106           HD2      TYR 106  85.249  -8.117  -4.173
  810    HE1  TYR 106           HE1      TYR 106  85.731 -12.969  -3.270
  811    HE2  TYR 106           HE2      TYR 106  84.049  -9.149  -2.264
  812    HH   TYR 106           HH       TYR 106  83.438 -12.252  -1.949
  813    H    ALA 107           HN       ALA 107  90.892  -9.177  -6.136
  814    HA   ALA 107           HA       ALA 107  90.950  -7.440  -8.405
  815   1HB   ALA 107           HB1      ALA 107  92.856  -7.966  -6.805
  816   2HB   ALA 107           HB3      ALA 107  93.068  -9.476  -7.693
  817   3HB   ALA 107           HB2      ALA 107  93.288  -7.930  -8.516
  818    H    GLN 108           HN       GLN 108  92.911  -9.216  -9.890
  819    HA   GLN 108           HA       GLN 108  90.939 -10.347 -11.743
  820   1HB   GLN 108          2HB       GLN 108  93.971 -10.361 -11.842
  821   2HB   GLN 108          3HB       GLN 108  92.899 -10.825 -13.162
  822   1HG   GLN 108          2HG       GLN 108  91.900  -8.516 -13.068
  823   2HG   GLN 108          3HG       GLN 108  93.142  -8.084 -11.894
  824   1HE2  GLN 108          HE22      GLN 108  95.325  -7.241 -14.529
  825   2HE2  GLN 108          HE21      GLN 108  94.644  -6.815 -13.034
  826    H    GLN 109           HN       GLN 109  92.629 -12.525 -12.670
  827    HA   GLN 109           HA       GLN 109  92.936 -14.812 -12.303
  828   1HB   GLN 109          2HB       GLN 109  93.193 -13.901  -9.418
  829   2HB   GLN 109          3HB       GLN 109  93.574 -15.519 -10.001
  830   1HG   GLN 109          2HG       GLN 109  95.286 -14.634 -11.490
  831   2HG   GLN 109          3HG       GLN 109  94.860 -12.981 -11.045
  832   1HE2  GLN 109          HE22      GLN 109  95.985 -14.085  -7.522
  833   2HE2  GLN 109          HE21      GLN 109  94.416 -13.978  -8.159
  834    H    ARG 110           HN       ARG 110  90.301 -13.802 -12.508
  835    HA   ARG 110           HA       ARG 110  88.854 -15.850 -10.895
  836   1HB   ARG 110          2HB       ARG 110  87.902 -13.016 -11.418
  837   2HB   ARG 110          3HB       ARG 110  86.962 -14.275 -10.616
  838   1HG   ARG 110          2HG       ARG 110  89.137 -14.415  -9.080
  839   2HG   ARG 110          3HG       ARG 110  89.330 -12.747  -9.619
  840   1HD   ARG 110          2HD       ARG 110  87.114 -13.959  -7.990
  841   2HD   ARG 110          3HD       ARG 110  88.015 -12.471  -7.707
  842    HE   ARG 110           HE       ARG 110  86.647 -12.015 -10.088
  843   1HH1  ARG 110          HH21      ARG 110  85.882 -12.965  -6.861
  844   2HH1  ARG 110          HH22      ARG 110  84.293 -12.276  -6.894
  845   1HH2  ARG 110          HH11      ARG 110  84.572 -11.113 -10.146
  846   2HH2  ARG 110          HH12      ARG 110  83.554 -11.227  -8.749
  847    H    ARG 111           HN       ARG 111  86.924 -16.662 -11.975
  848    HA   ARG 111           HA       ARG 111  85.771 -17.422 -13.872
  849   1HB   ARG 111          2HB       ARG 111  85.192 -14.941 -13.948
  850   2HB   ARG 111          3HB       ARG 111  86.505 -14.755 -15.112
  851   1HG   ARG 111          2HG       ARG 111  85.432 -16.471 -16.557
  852   2HG   ARG 111          3HG       ARG 111  84.095 -16.565 -15.419
  853   1HD   ARG 111          2HD       ARG 111  84.960 -14.043 -16.851
  854   2HD   ARG 111          3HD       ARG 111  83.614 -15.053 -17.363
  855    HE   ARG 111           HE       ARG 111  83.537 -13.017 -15.353
  856   1HH1  ARG 111          HH21      ARG 111  82.536 -16.291 -15.827
  857   2HH1  ARG 111          HH22      ARG 111  81.347 -16.233 -14.570
  858   1HH2  ARG 111          HH11      ARG 111  81.983 -12.934 -13.743
  859   2HH2  ARG 111          HH12      ARG 111  81.031 -14.339 -13.399
   
  No H/Q in entry =         859
  Start of MODEL   22
    1   1H    GLU   1           HT3      GLU   1  94.535  -2.569 -21.202
    2   2H    GLU   1           HT2      GLU   1  95.732  -1.414 -21.548
    3   3H    GLU   1           HT1      GLU   1  96.165  -3.029 -21.246
    4    HA   GLU   1           HA       GLU   1  96.222  -2.730 -19.061
    5   1HB   GLU   1          2HB       GLU   1  97.271  -0.624 -19.882
    6   2HB   GLU   1          3HB       GLU   1  95.698   0.170 -19.783
    7   1HG   GLU   1          2HG       GLU   1  95.602  -0.342 -17.368
    8   2HG   GLU   1          3HG       GLU   1  97.188  -1.108 -17.468
    9    H    ASP   2           HN       ASP   2  94.274  -3.860 -18.540
   10    HA   ASP   2           HA       ASP   2  91.771  -2.306 -18.245
   11   1HB   ASP   2          2HB       ASP   2  91.834  -4.672 -19.140
   12   2HB   ASP   2          3HB       ASP   2  92.332  -5.198 -17.533
   13    H    LEU   3           HN       LEU   3  91.324  -1.297 -16.316
   14    HA   LEU   3           HA       LEU   3  92.933  -2.044 -13.934
   15   1HB   LEU   3          2HB       LEU   3  91.019   0.267 -14.385
   16   2HB   LEU   3          3HB       LEU   3  92.013   0.035 -12.947
   17    HG   LEU   3           HG       LEU   3  93.270   0.148 -15.686
   18   1HD1  LEU   3          HD13      LEU   3  91.776   2.178 -15.168
   19   2HD1  LEU   3          HD12      LEU   3  92.916   2.533 -13.870
   20   3HD1  LEU   3          HD11      LEU   3  93.466   2.515 -15.547
   21   1HD2  LEU   3          HD22      LEU   3  94.392  -0.536 -13.373
   22   2HD2  LEU   3          HD21      LEU   3  95.257   0.493 -14.516
   23   3HD2  LEU   3          HD23      LEU   3  94.432   1.210 -13.133
   24    HA   PRO   4           HA       PRO   4  89.477  -4.317 -12.297
   25   1HB   PRO   4          2HB       PRO   4  90.212  -4.327  -9.655
   26   2HB   PRO   4          3HB       PRO   4  90.936  -5.386 -10.881
   27   1HG   PRO   4          2HG       PRO   4  91.983  -2.871  -9.695
   28   2HG   PRO   4          3HG       PRO   4  92.844  -4.345 -10.168
   29   1HD   PRO   4          2HD       PRO   4  92.840  -2.061 -11.688
   30   2HD   PRO   4          3HD       PRO   4  93.032  -3.689 -12.376
   31    H    HIS   5           HN       HIS   5  90.086  -1.080 -11.719
   32    HA   HIS   5           HA       HIS   5  88.033  -0.678  -9.664
   33   1HB   HIS   5          2HB       HIS   5  89.569   1.319 -11.358
   34   2HB   HIS   5          3HB       HIS   5  88.579   1.708  -9.946
   35    HD1  HIS   5           HD1      HIS   5  89.362   0.458  -7.645
   36    HD2  HIS   5           HD2      HIS   5  92.184   0.628 -10.708
   37    HE1  HIS   5           HE1      HIS   5  91.612   0.010  -6.572
   38    H    HIS   6           HN       HIS   6  88.136  -0.943 -13.090
   39    HA   HIS   6           HA       HIS   6  85.962   0.781 -13.806
   40   1HB   HIS   6          2HB       HIS   6  86.953  -1.808 -15.040
   41   2HB   HIS   6          3HB       HIS   6  85.673  -0.827 -15.749
   42    HD1  HIS   6           HD1      HIS   6  86.436   1.814 -16.145
   43    HD2  HIS   6           HD2      HIS   6  89.468  -1.031 -15.858
   44    HE1  HIS   6           HE1      HIS   6  88.519   2.885 -17.116
   45    H    ASP   7           HN       ASP   7  86.108  -2.508 -12.552
   46    HA   ASP   7           HA       ASP   7  83.145  -2.599 -12.466
   47   1HB   ASP   7          2HB       ASP   7  83.419  -5.030 -12.134
   48   2HB   ASP   7          3HB       ASP   7  84.237  -4.498 -13.604
   49    H    GLU   8           HN       GLU   8  82.156  -2.441 -10.529
   50    HA   GLU   8           HA       GLU   8  83.656  -1.846  -8.141
   51   1HB   GLU   8          2HB       GLU   8  81.060  -1.441  -9.009
   52   2HB   GLU   8          3HB       GLU   8  80.858  -2.675  -7.767
   53   1HG   GLU   8          2HG       GLU   8  82.554  -1.061  -6.463
   54   2HG   GLU   8          3HG       GLU   8  81.791   0.137  -7.508
   55    H    LYS   9           HN       LYS   9  82.868  -4.755  -9.636
   56    HA   LYS   9           HA       LYS   9  82.293  -6.503  -7.470
   57   1HB   LYS   9          2HB       LYS   9  82.017  -7.170  -9.798
   58   2HB   LYS   9          3HB       LYS   9  83.743  -7.007 -10.072
   59   1HG   LYS   9          2HG       LYS   9  83.597  -8.726  -7.879
   60   2HG   LYS   9          3HG       LYS   9  82.258  -9.235  -8.905
   61   1HD   LYS   9          2HD       LYS   9  84.351 -10.424  -9.488
   62   2HD   LYS   9          3HD       LYS   9  83.769  -9.433 -10.829
   63   1HE   LYS   9          2HE       LYS   9  85.544  -7.991 -10.700
   64   2HE   LYS   9          3HE       LYS   9  85.612  -8.070  -8.937
   65   1HZ   LYS   9           HZ3      LYS   9  86.491 -10.230 -10.776
   66   2HZ   LYS   9           HZ2      LYS   9  87.529  -9.123 -10.011
   67   3HZ   LYS   9           HZ1      LYS   9  86.630 -10.228  -9.085
   68    H    THR  10           HN       THR  10  85.385  -5.356  -8.760
   69    HA   THR  10           HA       THR  10  87.008  -7.172  -7.275
   70    HB   THR  10           HB       THR  10  88.857  -5.596  -7.830
   71    HG1  THR  10           HG1      THR  10  86.926  -4.114  -9.227
   72   1HG2  THR  10          HG21      THR  10  88.100  -7.320  -9.423
   73   2HG2  THR  10          HG23      THR  10  86.926  -6.185 -10.086
   74   3HG2  THR  10          HG22      THR  10  88.654  -5.870 -10.257
   75    H    TRP  11           HN       TRP  11  85.377  -4.287  -6.168
   76    HA   TRP  11           HA       TRP  11  86.806  -4.679  -3.580
   77   1HB   TRP  11          2HB       TRP  11  86.309  -2.018  -3.442
   78   2HB   TRP  11          3HB       TRP  11  87.839  -2.687  -4.012
   79    HD1  TRP  11           HD1      TRP  11  87.953  -3.117  -6.725
   80    HE1  TRP  11           HE1      TRP  11  87.001  -1.711  -8.649
   81    HE3  TRP  11           HE3      TRP  11  84.582  -0.335  -4.121
   82    HZ2  TRP  11           HZ2      TRP  11  85.073   0.395  -9.016
   83    HZ3  TRP  11           HZ3      TRP  11  83.206   1.379  -5.272
   84    HH2  TRP  11           HH2      TRP  11  83.447   1.748  -7.711
   85    H    ASN  12           HN       ASN  12  83.801  -4.292  -5.202
   86    HA   ASN  12           HA       ASN  12  82.455  -3.433  -2.706
   87   1HB   ASN  12          2HB       ASN  12  80.556  -2.950  -3.987
   88   2HB   ASN  12          3HB       ASN  12  81.897  -2.520  -5.040
   89   1HD2  ASN  12          HD22      ASN  12  79.439  -4.699  -6.909
   90   2HD2  ASN  12          HD21      ASN  12  79.262  -3.261  -6.023
   91    H    VAL  13           HN       VAL  13  81.517  -4.774  -1.362
   92    HA   VAL  13           HA       VAL  13  80.439  -7.350  -2.322
   93    HB   VAL  13           HB       VAL  13  81.599  -8.593  -0.553
   94   1HG1  VAL  13          HG13      VAL  13  82.669  -7.920  -2.899
   95   2HG1  VAL  13          HG12      VAL  13  83.822  -7.076  -1.867
   96   3HG1  VAL  13          HG11      VAL  13  83.599  -8.817  -1.704
   97   1HG2  VAL  13          HG23      VAL  13  82.805  -5.884   0.048
   98   2HG2  VAL  13          HG22      VAL  13  81.887  -6.923   1.138
   99   3HG2  VAL  13          HG21      VAL  13  83.510  -7.392   0.632
  100    H    GLY  14           HN       GLY  14  79.288  -4.850  -1.418
  101   1HA   GLY  14          2HA       GLY  14  78.533  -4.651   1.250
  102   2HA   GLY  14          3HA       GLY  14  77.443  -4.239  -0.071
  103    H    SER  15           HN       SER  15  77.334  -6.964  -1.135
  104    HA   SER  15           HA       SER  15  75.175  -7.966   0.478
  105   1HB   SER  15          2HB       SER  15  75.139  -9.825  -1.078
  106   2HB   SER  15          3HB       SER  15  75.468  -8.357  -1.990
  107    HG   SER  15           HG       SER  15  77.797  -9.155  -1.262
  108    H    SER  16           HN       SER  16  78.552  -8.201   0.828
  109    HA   SER  16           HA       SER  16  78.608 -10.833   2.097
  110   1HB   SER  16          2HB       SER  16  80.613  -8.573   1.951
  111   2HB   SER  16          3HB       SER  16  80.936 -10.107   2.757
  112    HG   SER  16           HG       SER  16  80.581 -11.154   0.783
  113    H    ASN  17           HN       ASN  17  78.646 -11.278   4.310
  114    HA   ASN  17           HA       ASN  17  77.522  -9.238   6.088
  115   1HB   ASN  17          2HB       ASN  17  77.770 -11.150   7.797
  116   2HB   ASN  17          3HB       ASN  17  76.664 -11.421   6.454
  117   1HD2  ASN  17          HD22      ASN  17  78.568 -14.499   6.372
  118   2HD2  ASN  17          HD21      ASN  17  77.241 -13.793   7.159
  119    H    ARG  18           HN       ARG  18  78.568  -8.587   8.120
  120    HA   ARG  18           HA       ARG  18  81.280  -7.786   7.744
  121   1HB   ARG  18          2HB       ARG  18  79.554  -7.859  10.225
  122   2HB   ARG  18          3HB       ARG  18  81.177  -7.168  10.194
  123   1HG   ARG  18          2HG       ARG  18  80.310  -5.804   8.148
  124   2HG   ARG  18          3HG       ARG  18  78.705  -6.228   8.749
  125   1HD   ARG  18          2HD       ARG  18  80.879  -4.753  10.261
  126   2HD   ARG  18          3HD       ARG  18  79.339  -4.092   9.713
  127    HE   ARG  18           HE       ARG  18  78.647  -6.253  11.331
  128   1HH1  ARG  18          HH21      ARG  18  80.490  -3.349  11.569
  129   2HH1  ARG  18          HH22      ARG  18  80.261  -3.191  13.279
  130   1HH2  ARG  18          HH11      ARG  18  78.344  -6.065  13.553
  131   2HH2  ARG  18          HH12      ARG  18  79.036  -4.725  14.402
  132    H    ASN  19           HN       ASN  19  79.906 -10.550   9.527
  133    HA   ASN  19           HA       ASN  19  82.302 -11.314  10.853
  134   1HB   ASN  19          2HB       ASN  19  81.334 -13.557  10.972
  135   2HB   ASN  19          3HB       ASN  19  80.075 -12.354  11.266
  136   1HD2  ASN  19          HD22      ASN  19  78.797 -14.800   8.727
  137   2HD2  ASN  19          HD21      ASN  19  79.368 -14.944  10.319
  138    H    LYS  20           HN       LYS  20  81.121 -12.124   7.571
  139    HA   LYS  20           HA       LYS  20  83.397 -13.754   6.894
  140   1HB   LYS  20          2HB       LYS  20  81.238 -13.751   5.614
  141   2HB   LYS  20          3HB       LYS  20  81.650 -12.149   5.000
  142   1HG   LYS  20          2HG       LYS  20  83.704 -13.062   3.989
  143   2HG   LYS  20          3HG       LYS  20  83.315 -14.661   4.626
  144   1HD   LYS  20          2HD       LYS  20  81.005 -14.152   3.351
  145   2HD   LYS  20          3HD       LYS  20  82.080 -13.171   2.361
  146   1HE   LYS  20          2HE       LYS  20  83.486 -15.088   1.878
  147   2HE   LYS  20          3HE       LYS  20  82.579 -16.089   3.012
  148   1HZ   LYS  20           HZ1      LYS  20  81.103 -14.756   0.862
  149   2HZ   LYS  20           HZ3      LYS  20  82.049 -16.103   0.455
  150   3HZ   LYS  20           HZ2      LYS  20  80.812 -16.253   1.609
  151    H    ALA  21           HN       ALA  21  82.758 -10.296   6.846
  152    HA   ALA  21           HA       ALA  21  84.929  -9.478   5.192
  153   1HB   ALA  21           HB1      ALA  21  83.501  -8.111   7.483
  154   2HB   ALA  21           HB3      ALA  21  84.812  -7.334   6.605
  155   3HB   ALA  21           HB2      ALA  21  83.337  -7.794   5.761
  156    H    GLU  22           HN       GLU  22  84.765 -10.250   8.667
  157    HA   GLU  22           HA       GLU  22  87.399  -9.420   9.368
  158   1HB   GLU  22          2HB       GLU  22  85.685 -11.688  10.425
  159   2HB   GLU  22          3HB       GLU  22  87.227 -11.229  11.142
  160   1HG   GLU  22          2HG       GLU  22  86.381  -8.971  11.578
  161   2HG   GLU  22          3HG       GLU  22  84.844  -9.384  10.814
  162    H    ASN  23           HN       ASN  23  86.193 -12.561   8.193
  163    HA   ASN  23           HA       ASN  23  88.714 -13.881   8.108
  164   1HB   ASN  23          2HB       ASN  23  86.232 -14.217   6.397
  165   2HB   ASN  23          3HB       ASN  23  87.623 -15.294   6.312
  166   1HD2  ASN  23          HD22      ASN  23  85.190 -16.758   8.744
  167   2HD2  ASN  23          HD21      ASN  23  85.138 -16.353   7.096
  168    H    LEU  24           HN       LEU  24  86.955 -11.909   5.734
  169    HA   LEU  24           HA       LEU  24  88.923 -12.111   3.652
  170   1HB   LEU  24          2HB       LEU  24  86.833  -9.996   4.248
  171   2HB   LEU  24          3HB       LEU  24  87.797 -10.033   2.777
  172    HG   LEU  24           HG       LEU  24  86.036 -12.319   3.703
  173   1HD1  LEU  24          HD12      LEU  24  85.492  -9.895   2.059
  174   2HD1  LEU  24          HD11      LEU  24  84.822 -11.420   1.480
  175   3HD1  LEU  24          HD13      LEU  24  84.399 -10.823   3.086
  176   1HD2  LEU  24          HD21      LEU  24  87.945 -11.870   1.486
  177   2HD2  LEU  24          HD23      LEU  24  87.396 -13.384   2.211
  178   3HD2  LEU  24          HD22      LEU  24  86.398 -12.570   1.007
  179    H    LEU  25           HN       LEU  25  88.462  -9.909   6.391
  180    HA   LEU  25           HA       LEU  25  90.797  -8.283   5.588
  181   1HB   LEU  25          2HB       LEU  25  88.891  -8.139   7.942
  182   2HB   LEU  25          3HB       LEU  25  90.268  -7.062   7.750
  183    HG   LEU  25           HG       LEU  25  88.384  -7.329   5.438
  184   1HD1  LEU  25          HD13      LEU  25  86.945  -7.087   7.477
  185   2HD1  LEU  25          HD12      LEU  25  87.830  -5.612   7.873
  186   3HD1  LEU  25          HD11      LEU  25  86.858  -5.694   6.401
  187   1HD2  LEU  25          HD22      LEU  25  90.139  -5.194   6.668
  188   2HD2  LEU  25          HD21      LEU  25  90.173  -5.842   5.027
  189   3HD2  LEU  25          HD23      LEU  25  88.872  -4.765   5.521
  190    H    ARG  26           HN       ARG  26  90.274 -11.164   7.255
  191    HA   ARG  26           HA       ARG  26  92.564 -10.727   9.066
  192   1HB   ARG  26          2HB       ARG  26  90.466 -12.884   8.873
  193   2HB   ARG  26          3HB       ARG  26  91.919 -13.102   9.858
  194   1HG   ARG  26          2HG       ARG  26  90.294 -10.598  10.165
  195   2HG   ARG  26          3HG       ARG  26  89.737 -12.084  10.936
  196   1HD   ARG  26          2HD       ARG  26  92.593 -11.201  11.264
  197   2HD   ARG  26          3HD       ARG  26  91.332 -10.483  12.263
  198    HE   ARG  26           HE       ARG  26  90.910 -13.218  12.511
  199   1HH1  ARG  26          HH21      ARG  26  93.552 -11.038  12.879
  200   2HH1  ARG  26          HH22      ARG  26  94.312 -11.951  14.140
  201   1HH2  ARG  26          HH11      ARG  26  91.904 -14.446  14.141
  202   2HH2  ARG  26          HH12      ARG  26  93.382 -13.881  14.846
  203    H    GLY  27           HN       GLY  27  91.705 -12.309   6.183
  204   1HA   GLY  27          2HA       GLY  27  94.312 -13.750   6.116
  205   2HA   GLY  27          3HA       GLY  27  92.945 -14.080   5.044
  206    H    LYS  28           HN       LYS  28  93.340 -10.770   5.548
  207    HA   LYS  28           HA       LYS  28  94.778 -10.570   2.945
  208   1HB   LYS  28          2HB       LYS  28  92.559  -8.905   4.118
  209   2HB   LYS  28          3HB       LYS  28  93.574  -8.306   2.814
  210   1HG   LYS  28          2HG       LYS  28  92.274 -11.014   2.594
  211   2HG   LYS  28          3HG       LYS  28  91.361  -9.555   2.205
  212   1HD   LYS  28          2HD       LYS  28  92.307  -9.563   0.163
  213   2HD   LYS  28          3HD       LYS  28  93.873  -9.273   0.923
  214   1HE   LYS  28          2HE       LYS  28  94.363 -11.590   1.031
  215   2HE   LYS  28          3HE       LYS  28  92.692 -12.041   0.696
  216   1HZ   LYS  28           HZ3      LYS  28  94.373 -10.530  -1.219
  217   2HZ   LYS  28           HZ2      LYS  28  94.265 -12.226  -1.227
  218   3HZ   LYS  28           HZ1      LYS  28  92.883 -11.280  -1.518
  219    H    ARG  29           HN       ARG  29  96.446  -9.174   2.756
  220    HA   ARG  29           HA       ARG  29  97.701  -8.247   5.237
  221   1HB   ARG  29          2HB       ARG  29  98.594  -8.124   2.343
  222   2HB   ARG  29          3HB       ARG  29  99.587  -7.645   3.725
  223   1HG   ARG  29          2HG       ARG  29  99.396  -9.914   4.660
  224   2HG   ARG  29          3HG       ARG  29  98.386 -10.395   3.297
  225   1HD   ARG  29          2HD       ARG  29 100.268  -9.807   1.755
  226   2HD   ARG  29          3HD       ARG  29 101.271  -9.488   3.172
  227    HE   ARG  29           HE       ARG  29 100.327 -12.045   3.618
  228   1HH1  ARG  29          HH21      ARG  29 101.881 -10.405   1.017
  229   2HH1  ARG  29          HH22      ARG  29 102.735 -11.808   0.470
  230   1HH2  ARG  29          HH11      ARG  29 101.451 -13.879   2.931
  231   2HH2  ARG  29          HH12      ARG  29 102.509 -13.767   1.564
  232    H    ASP  30           HN       ASP  30  98.689  -5.995   5.213
  233    HA   ASP  30           HA       ASP  30  96.678  -4.017   5.072
  234   1HB   ASP  30          2HB       ASP  30  98.790  -3.796   6.375
  235   2HB   ASP  30          3HB       ASP  30  99.682  -3.621   4.865
  236    H    GLY  31           HN       GLY  31  96.097  -2.531   3.490
  237   1HA   GLY  31          2HA       GLY  31  96.584  -1.346   1.384
  238   2HA   GLY  31          3HA       GLY  31  97.500  -2.759   0.864
  239    H    THR  32           HN       THR  32  95.462  -4.657   1.830
  240    HA   THR  32           HA       THR  32  93.694  -4.511  -0.521
  241    HB   THR  32           HB       THR  32  93.942  -6.545   1.703
  242    HG1  THR  32           HG1      THR  32  95.561  -7.231   0.605
  243   1HG2  THR  32          HG22      THR  32  91.953  -6.198  -0.331
  244   2HG2  THR  32          HG21      THR  32  92.885  -7.647  -0.702
  245   3HG2  THR  32          HG23      THR  32  92.080  -7.491   0.862
  246    H    PHE  33           HN       PHE  33  91.613  -3.703  -0.403
  247    HA   PHE  33           HA       PHE  33  90.270  -3.821   2.245
  248   1HB   PHE  33          2HB       PHE  33  89.806  -1.587   2.416
  249   2HB   PHE  33          3HB       PHE  33  91.348  -1.467   1.572
  250    HD1  PHE  33           HD1      PHE  33  90.871  -2.023  -1.156
  251    HD2  PHE  33           HD2      PHE  33  88.239  -0.059   1.613
  252    HE1  PHE  33           HE1      PHE  33  89.718  -0.882  -3.028
  253    HE2  PHE  33           HE2      PHE  33  87.105   1.071  -0.285
  254    HZ   PHE  33           HZ       PHE  33  87.839   0.652  -2.592
  255    H    LEU  34           HN       LEU  34  87.912  -3.133   1.958
  256    HA   LEU  34           HA       LEU  34  86.873  -3.888  -0.727
  257   1HB   LEU  34          2HB       LEU  34  85.199  -5.378   0.378
  258   2HB   LEU  34          3HB       LEU  34  86.854  -5.960   0.557
  259    HG   LEU  34           HG       LEU  34  85.763  -4.126   2.647
  260   1HD1  LEU  34          HD12      LEU  34  85.057  -7.045   2.299
  261   2HD1  LEU  34          HD11      LEU  34  84.957  -6.222   3.854
  262   3HD1  LEU  34          HD13      LEU  34  83.955  -5.686   2.505
  263   1HD2  LEU  34          HD23      LEU  34  88.136  -5.467   2.251
  264   2HD2  LEU  34          HD22      LEU  34  87.562  -4.880   3.808
  265   3HD2  LEU  34          HD21      LEU  34  87.276  -6.555   3.342
  266    H    VAL  35           HN       VAL  35  84.425  -3.426  -0.780
  267    HA   VAL  35           HA       VAL  35  83.879  -1.046   0.923
  268    HB   VAL  35           HB       VAL  35  83.162  -1.543  -1.972
  269   1HG1  VAL  35          HG11      VAL  35  82.221   0.507   0.026
  270   2HG1  VAL  35          HG13      VAL  35  82.273   0.885  -1.699
  271   3HG1  VAL  35          HG12      VAL  35  81.264  -0.442  -1.112
  272   1HG2  VAL  35          HG23      VAL  35  85.099   0.187  -0.473
  273   2HG2  VAL  35          HG22      VAL  35  85.333  -0.708  -1.974
  274   3HG2  VAL  35          HG21      VAL  35  84.412   0.797  -1.981
  275    H    ARG  36           HN       ARG  36  81.984  -1.073   2.055
  276    HA   ARG  36           HA       ARG  36  79.856  -2.952   1.204
  277   1HB   ARG  36          2HB       ARG  36  81.210  -2.969   3.914
  278   2HB   ARG  36          3HB       ARG  36  79.658  -3.743   3.596
  279   1HG   ARG  36          2HG       ARG  36  80.702  -5.092   1.819
  280   2HG   ARG  36          3HG       ARG  36  82.259  -4.351   2.185
  281   1HD   ARG  36          2HD       ARG  36  81.843  -6.611   3.296
  282   2HD   ARG  36          3HD       ARG  36  82.295  -5.300   4.388
  283    HE   ARG  36           HE       ARG  36  79.535  -5.197   4.355
  284   1HH1  ARG  36          HH21      ARG  36  81.916  -7.612   4.881
  285   2HH1  ARG  36          HH22      ARG  36  80.963  -8.503   6.016
  286   1HH2  ARG  36          HH11      ARG  36  78.252  -6.331   5.807
  287   2HH2  ARG  36          HH12      ARG  36  78.858  -7.781   6.528
  288    H    GLU  37           HN       GLU  37  78.347  -2.573   3.672
  289    HA   GLU  37           HA       GLU  37  77.710   0.302   3.266
  290   1HB   GLU  37          2HB       GLU  37  75.932  -1.835   4.467
  291   2HB   GLU  37          3HB       GLU  37  75.453  -0.216   3.963
  292   1HG   GLU  37          2HG       GLU  37  76.507  -2.373   2.115
  293   2HG   GLU  37          3HG       GLU  37  74.809  -1.930   2.286
  294    H    SER  38           HN       SER  38  76.681   1.266   5.390
  295    HA   SER  38           HA       SER  38  78.641   0.862   7.530
  296   1HB   SER  38          2HB       SER  38  77.452   2.616   8.690
  297   2HB   SER  38          3HB       SER  38  77.515   3.088   6.995
  298    HG   SER  38           HG       SER  38  75.365   1.969   8.462
  299    H    SER  39           HN       SER  39  76.521  -1.004   6.369
  300    HA   SER  39           HA       SER  39  75.934  -3.087   7.479
  301   1HB   SER  39          2HB       SER  39  76.523  -2.119   9.742
  302   2HB   SER  39          3HB       SER  39  74.954  -1.310   9.741
  303    HG   SER  39           HG       SER  39  74.833  -3.964   9.093
  304    H    LYS  40           HN       LYS  40  74.064  -3.867   6.636
  305    HA   LYS  40           HA       LYS  40  71.905  -3.899   5.727
  306   1HB   LYS  40          2HB       LYS  40  71.433  -1.661   7.733
  307   2HB   LYS  40          3HB       LYS  40  70.181  -2.548   6.865
  308   1HG   LYS  40          2HG       LYS  40  70.841  -4.635   7.910
  309   2HG   LYS  40          3HG       LYS  40  72.223  -3.854   8.676
  310   1HD   LYS  40          2HD       LYS  40  70.459  -4.058  10.323
  311   2HD   LYS  40          3HD       LYS  40  70.626  -2.355   9.901
  312   1HE   LYS  40          2HE       LYS  40  68.695  -2.471   8.440
  313   2HE   LYS  40          3HE       LYS  40  68.591  -4.220   8.649
  314   1HZ   LYS  40           HZ2      LYS  40  68.477  -2.403  10.966
  315   2HZ   LYS  40           HZ1      LYS  40  67.081  -2.741  10.061
  316   3HZ   LYS  40           HZ3      LYS  40  67.914  -3.999  10.838
  317    H    GLN  41           HN       GLN  41  70.259  -1.410   5.480
  318    HA   GLN  41           HA       GLN  41  71.837  -0.180   3.259
  319   1HB   GLN  41          2HB       GLN  41  68.847  -0.409   3.697
  320   2HB   GLN  41          3HB       GLN  41  69.589   0.481   2.366
  321   1HG   GLN  41          2HG       GLN  41  69.040  -1.712   1.533
  322   2HG   GLN  41          3HG       GLN  41  70.793  -1.662   1.734
  323   1HE2  GLN  41          HE22      GLN  41  70.506  -4.653   3.613
  324   2HE2  GLN  41          HE21      GLN  41  71.171  -3.888   2.252
  325    H    GLY  42           HN       GLY  42  72.017   2.089   3.169
  326   1HA   GLY  42          2HA       GLY  42  70.585   4.100   4.285
  327   2HA   GLY  42          3HA       GLY  42  71.427   3.476   5.704
  328    H    CYS  43           HN       CYS  43  73.917   3.082   5.143
  329    HA   CYS  43           HA       CYS  43  74.898   5.453   3.610
  330   1HB   CYS  43          2HB       CYS  43  75.894   4.488   6.308
  331   2HB   CYS  43          3HB       CYS  43  76.616   5.794   5.368
  332    HG   CYS  43           HG       CYS  43  74.446   7.198   5.715
  333    H    TYR  44           HN       TYR  44  77.526   5.125   3.627
  334    HA   TYR  44           HA       TYR  44  77.965   2.333   2.651
  335   1HB   TYR  44          2HB       TYR  44  78.953   4.989   1.621
  336   2HB   TYR  44          3HB       TYR  44  79.779   3.485   1.211
  337    HD1  TYR  44           HD2      TYR  44  76.653   5.424   0.862
  338    HD2  TYR  44           HD1      TYR  44  78.743   1.834  -0.227
  339    HE1  TYR  44           HE2      TYR  44  74.972   4.975  -0.908
  340    HE2  TYR  44           HE1      TYR  44  77.067   1.388  -1.993
  341    HH   TYR  44           HH       TYR  44  75.447   2.754  -3.373
  342    H    ALA  45           HN       ALA  45  80.118   1.441   3.037
  343    HA   ALA  45           HA       ALA  45  82.018   2.944   4.659
  344   1HB   ALA  45           HB1      ALA  45  80.388   2.211   6.389
  345   2HB   ALA  45           HB3      ALA  45  80.645   0.538   5.899
  346   3HB   ALA  45           HB2      ALA  45  81.966   1.460   6.612
  347    H    CYS  46           HN       CYS  46  84.055   2.128   4.304
  348    HA   CYS  46           HA       CYS  46  84.210  -0.507   2.909
  349   1HB   CYS  46          2HB       CYS  46  86.324   1.641   2.706
  350   2HB   CYS  46          3HB       CYS  46  86.030   0.298   1.598
  351    HG   CYS  46           HG       CYS  46  84.915   2.948   1.146
  352    H    SER  47           HN       SER  47  85.658  -1.990   3.708
  353    HA   SER  47           HA       SER  47  87.019  -1.180   6.239
  354   1HB   SER  47          2HB       SER  47  85.387  -2.985   6.520
  355   2HB   SER  47          3HB       SER  47  86.202  -3.931   5.276
  356    HG   SER  47           HG       SER  47  86.746  -3.837   7.848
  357    H    VAL  48           HN       VAL  48  89.219  -1.291   6.365
  358    HA   VAL  48           HA       VAL  48  90.644  -2.701   4.139
  359    HB   VAL  48           HB       VAL  48  90.803  -0.291   3.750
  360   1HG1  VAL  48          HG12      VAL  48  90.389   0.354   6.139
  361   2HG1  VAL  48          HG11      VAL  48  92.038  -0.143   6.510
  362   3HG1  VAL  48          HG13      VAL  48  91.752   1.208   5.416
  363   1HG2  VAL  48          HG23      VAL  48  92.796  -1.873   3.450
  364   2HG2  VAL  48          HG22      VAL  48  93.182  -0.155   3.572
  365   3HG2  VAL  48          HG21      VAL  48  93.407  -1.213   4.967
  366    H    VAL  49           HN       VAL  49  92.789  -3.388   4.700
  367    HA   VAL  49           HA       VAL  49  93.094  -3.972   7.610
  368    HB   VAL  49           HB       VAL  49  94.515  -5.150   5.205
  369   1HG1  VAL  49          HG13      VAL  49  94.746  -5.584   8.171
  370   2HG1  VAL  49          HG12      VAL  49  95.180  -6.860   7.030
  371   3HG1  VAL  49          HG11      VAL  49  96.032  -5.313   6.992
  372   1HG2  VAL  49          HG21      VAL  49  92.224  -6.092   6.933
  373   2HG2  VAL  49          HG23      VAL  49  92.312  -6.013   5.174
  374   3HG2  VAL  49          HG22      VAL  49  93.233  -7.236   6.045
  375    H    VAL  50           HN       VAL  50  94.809  -3.021   8.730
  376    HA   VAL  50           HA       VAL  50  96.725  -1.468   7.047
  377    HB   VAL  50           HB       VAL  50  95.504  -0.738   9.718
  378   1HG1  VAL  50          HG11      VAL  50  97.986   0.150   8.377
  379   2HG1  VAL  50          HG13      VAL  50  96.933   1.447   8.942
  380   3HG1  VAL  50          HG12      VAL  50  97.533   0.240  10.078
  381   1HG2  VAL  50          HG23      VAL  50  95.205   0.191   6.889
  382   2HG2  VAL  50          HG22      VAL  50  93.972  -0.008   8.135
  383   3HG2  VAL  50          HG21      VAL  50  95.058   1.381   8.183
  384    H    ASP  51           HN       ASP  51  98.854  -1.364   7.785
  385    HA   ASP  51           HA       ASP  51 100.083  -3.666   8.676
  386   1HB   ASP  51          2HB       ASP  51 101.229  -1.669   7.698
  387   2HB   ASP  51          3HB       ASP  51 101.033  -0.851   9.250
  388    H    GLY  52           HN       GLY  52  98.342  -1.412  10.498
  389   1HA   GLY  52          2HA       GLY  52  99.526  -2.303  13.049
  390   2HA   GLY  52          3HA       GLY  52  98.321  -1.029  12.865
  391    H    GLU  53           HN       GLU  53  96.233  -2.117  11.618
  392    HA   GLU  53           HA       GLU  53  95.638  -4.806  12.577
  393   1HB   GLU  53          2HB       GLU  53  93.824  -4.095  14.133
  394   2HB   GLU  53          3HB       GLU  53  95.431  -3.626  14.688
  395   1HG   GLU  53          2HG       GLU  53  95.100  -1.367  13.750
  396   2HG   GLU  53          3HG       GLU  53  93.481  -1.831  13.222
  397    H    VAL  54           HN       VAL  54  93.000  -4.990  12.457
  398    HA   VAL  54           HA       VAL  54  92.379  -4.115   9.708
  399    HB   VAL  54           HB       VAL  54  90.948  -5.940  11.660
  400   1HG1  VAL  54          HG13      VAL  54  90.153  -4.981   8.898
  401   2HG1  VAL  54          HG12      VAL  54  89.440  -6.393   9.680
  402   3HG1  VAL  54          HG11      VAL  54  89.241  -4.793  10.396
  403   1HG2  VAL  54          HG21      VAL  54  92.684  -6.256   9.225
  404   2HG2  VAL  54          HG23      VAL  54  92.699  -7.173  10.731
  405   3HG2  VAL  54          HG22      VAL  54  91.434  -7.463   9.539
  406    H    LYS  55           HN       LYS  55  90.897  -2.495   9.235
  407    HA   LYS  55           HA       LYS  55  89.371  -1.364  11.546
  408   1HB   LYS  55          2HB       LYS  55  90.902   0.218   9.467
  409   2HB   LYS  55          3HB       LYS  55  89.890   0.906  10.738
  410   1HG   LYS  55          2HG       LYS  55  91.663   0.844  12.128
  411   2HG   LYS  55          3HG       LYS  55  91.642  -0.918  12.012
  412   1HD   LYS  55          2HD       LYS  55  93.084  -0.868  10.069
  413   2HD   LYS  55          3HD       LYS  55  93.008   0.893  10.009
  414   1HE   LYS  55          2HE       LYS  55  93.846   0.402  12.604
  415   2HE   LYS  55          3HE       LYS  55  94.683  -0.842  11.680
  416   1HZ   LYS  55           HZ2      LYS  55  95.189   1.118  10.086
  417   2HZ   LYS  55           HZ1      LYS  55  94.862   2.088  11.442
  418   3HZ   LYS  55           HZ3      LYS  55  96.108   0.939  11.502
  419    H    HIS  56           HN       HIS  56  87.497  -0.122  10.960
  420    HA   HIS  56           HA       HIS  56  86.382  -0.888   8.298
  421   1HB   HIS  56          2HB       HIS  56  85.049  -0.456  10.980
  422   2HB   HIS  56          3HB       HIS  56  84.138  -0.501   9.469
  423    HD1  HIS  56           HD1      HIS  56  86.264  -2.745   8.322
  424    HD2  HIS  56           HD2      HIS  56  83.826  -2.999  11.693
  425    HE1  HIS  56           HE1      HIS  56  85.932  -5.209   8.791
  426    H    CYS  57           HN       CYS  57  86.957   0.938   7.121
  427    HA   CYS  57           HA       CYS  57  86.700   3.635   8.157
  428   1HB   CYS  57          2HB       CYS  57  86.905   2.630   5.296
  429   2HB   CYS  57          3HB       CYS  57  87.129   4.305   5.805
  430    HG   CYS  57           HG       CYS  57  89.241   3.507   7.192
  431    H    VAL  58           HN       VAL  58  84.940   5.065   7.870
  432    HA   VAL  58           HA       VAL  58  82.474   3.741   6.834
  433    HB   VAL  58           HB       VAL  58  83.032   5.570   9.123
  434   1HG1  VAL  58          HG11      VAL  58  80.477   5.535   7.502
  435   2HG1  VAL  58          HG13      VAL  58  80.505   6.006   9.203
  436   3HG1  VAL  58          HG12      VAL  58  81.422   6.933   8.015
  437   1HG2  VAL  58          HG23      VAL  58  82.721   3.137   9.428
  438   2HG2  VAL  58          HG22      VAL  58  81.429   4.044  10.217
  439   3HG2  VAL  58          HG21      VAL  58  81.130   3.248   8.673
  440    H    ILE  59           HN       ILE  59  81.315   4.675   5.233
  441    HA   ILE  59           HA       ILE  59  82.168   7.366   4.261
  442    HB   ILE  59           HB       ILE  59  80.726   5.097   2.847
  443   1HG1  ILE  59          HG12      ILE  59  83.434   6.302   2.244
  444   2HG1  ILE  59          HG11      ILE  59  83.217   4.883   3.270
  445   1HG2  ILE  59          HG21      ILE  59  80.009   7.421   2.152
  446   2HG2  ILE  59          HG23      ILE  59  81.681   7.703   1.657
  447   3HG2  ILE  59          HG22      ILE  59  80.726   6.449   0.866
  448   1HD1  ILE  59          HD12      ILE  59  81.958   4.952   0.544
  449   2HD1  ILE  59          HD11      ILE  59  83.665   4.555   0.705
  450   3HD1  ILE  59          HD13      ILE  59  82.449   3.558   1.502
  451    H    ASN  60           HN       ASN  60  80.532   9.023   4.198
  452    HA   ASN  60           HA       ASN  60  77.863   8.158   5.269
  453   1HB   ASN  60          2HB       ASN  60  79.420  10.683   5.874
  454   2HB   ASN  60          3HB       ASN  60  77.775  10.366   6.425
  455   1HD2  ASN  60          HD22      ASN  60  78.932   7.585   8.550
  456   2HD2  ASN  60          HD21      ASN  60  77.738   7.853   7.372
  457    H    LYS  61           HN       LYS  61  76.075   8.851   4.197
  458    HA   LYS  61           HA       LYS  61  76.463  10.795   1.962
  459   1HB   LYS  61          2HB       LYS  61  74.279   8.730   2.370
  460   2HB   LYS  61          3HB       LYS  61  74.401   9.832   0.999
  461   1HG   LYS  61          2HG       LYS  61  76.844   8.800   0.830
  462   2HG   LYS  61          3HG       LYS  61  76.078   7.451   1.666
  463   1HD   LYS  61          2HD       LYS  61  75.074   8.701  -0.908
  464   2HD   LYS  61          3HD       LYS  61  75.966   7.183  -0.797
  465   1HE   LYS  61          2HE       LYS  61  74.167   6.283   0.681
  466   2HE   LYS  61          3HE       LYS  61  73.258   7.773   0.434
  467   1HZ   LYS  61           HZ3      LYS  61  74.078   6.773  -2.058
  468   2HZ   LYS  61           HZ2      LYS  61  73.325   5.513  -1.200
  469   3HZ   LYS  61           HZ1      LYS  61  72.501   6.975  -1.472
  470    H    THR  62           HN       THR  62  75.672  12.769   2.301
  471    HA   THR  62           HA       THR  62  73.275  13.075   4.053
  472    HB   THR  62           HB       THR  62  74.222  15.044   5.075
  473    HG1  THR  62           HG1      THR  62  75.761  16.097   4.134
  474   1HG2  THR  62          HG23      THR  62  74.938  12.758   5.907
  475   2HG2  THR  62          HG22      THR  62  76.434  12.978   4.997
  476   3HG2  THR  62          HG21      THR  62  76.035  14.077   6.320
  477    H    ALA  63           HN       ALA  63  72.445  15.476   3.685
  478    HA   ALA  63           HA       ALA  63  71.400  15.709   1.129
  479   1HB   ALA  63           HB3      ALA  63  72.139  17.842   3.139
  480   2HB   ALA  63           HB2      ALA  63  71.305  18.226   1.631
  481   3HB   ALA  63           HB1      ALA  63  70.549  17.157   2.812
  482    H    THR  64           HN       THR  64  74.607  16.644   2.221
  483    HA   THR  64           HA       THR  64  75.363  17.042  -0.620
  484    HB   THR  64           HB       THR  64  74.846  19.291   0.359
  485    HG1  THR  64           HG1      THR  64  77.085  18.453  -0.847
  486   1HG2  THR  64          HG23      THR  64  76.131  18.231   2.600
  487   2HG2  THR  64          HG22      THR  64  77.275  19.413   1.964
  488   3HG2  THR  64          HG21      THR  64  75.635  19.908   2.380
  489    H    GLY  65           HN       GLY  65  75.843  15.385   2.099
  490   1HA   GLY  65          2HA       GLY  65  78.805  15.483   2.123
  491   2HA   GLY  65          3HA       GLY  65  77.800  14.585   3.252
  492    H    TYR  66           HN       TYR  66  79.529  12.911   2.620
  493    HA   TYR  66           HA       TYR  66  78.363  10.877   1.062
  494   1HB   TYR  66          2HB       TYR  66  79.335  12.812  -0.624
  495   2HB   TYR  66          3HB       TYR  66  80.684  11.679  -0.544
  496    HD1  TYR  66           HD1      TYR  66  80.040   9.143  -0.698
  497    HD2  TYR  66           HD2      TYR  66  77.567  12.358  -2.113
  498    HE1  TYR  66           HE1      TYR  66  78.840   7.568  -2.176
  499    HE2  TYR  66           HE2      TYR  66  76.361  10.776  -3.592
  500    HH   TYR  66           HH       TYR  66  77.491   7.533  -4.115
  501    H    GLY  67           HN       GLY  67  81.156  12.336   2.481
  502   1HA   GLY  67          2HA       GLY  67  81.976  10.044   3.904
  503   2HA   GLY  67          3HA       GLY  67  82.953  10.099   2.431
  504    H    PHE  68           HN       PHE  68  84.938  10.701   3.449
  505    HA   PHE  68           HA       PHE  68  85.267  12.644   5.475
  506   1HB   PHE  68          2HB       PHE  68  87.126  12.243   3.107
  507   2HB   PHE  68          3HB       PHE  68  87.558  12.907   4.678
  508    HD1  PHE  68           HD1      PHE  68  85.316  10.486   5.624
  509    HD2  PHE  68           HD2      PHE  68  89.209  10.799   3.828
  510    HE1  PHE  68           HE1      PHE  68  85.865   8.212   6.414
  511    HE2  PHE  68           HE2      PHE  68  89.755   8.519   4.626
  512    HZ   PHE  68           HZ       PHE  68  88.083   7.225   5.917
  513    H    ALA  69           HN       ALA  69  85.524  14.967   5.395
  514    HA   ALA  69           HA       ALA  69  84.906  16.209   2.741
  515   1HB   ALA  69           HB1      ALA  69  82.889  16.163   4.268
  516   2HB   ALA  69           HB3      ALA  69  83.788  17.199   5.380
  517   3HB   ALA  69           HB2      ALA  69  83.390  17.777   3.762
  518    H    GLU  70           HN       GLU  70  87.477  15.882   4.312
  519    HA   GLU  70           HA       GLU  70  88.050  18.771   4.846
  520   1HB   GLU  70          2HB       GLU  70  88.551  16.932   6.612
  521   2HB   GLU  70          3HB       GLU  70  89.893  16.488   5.561
  522   1HG   GLU  70          2HG       GLU  70  90.836  18.026   7.095
  523   2HG   GLU  70          3HG       GLU  70  90.555  18.975   5.636
  524    HA   PRO  71           HA       PRO  71  91.316  17.356   1.699
  525   1HB   PRO  71          2HB       PRO  71  91.020  14.935   0.485
  526   2HB   PRO  71          3HB       PRO  71  91.843  15.145   2.041
  527   1HG   PRO  71          2HG       PRO  71  89.223  13.970   1.456
  528   2HG   PRO  71          3HG       PRO  71  90.276  13.745   2.858
  529   1HD   PRO  71          2HD       PRO  71  87.949  15.422   2.672
  530   2HD   PRO  71          3HD       PRO  71  89.035  15.219   4.059
  531    H    TYR  72           HN       TYR  72  87.998  16.384   0.895
  532    HA   TYR  72           HA       TYR  72  88.091  18.050  -1.525
  533   1HB   TYR  72          2HB       TYR  72  87.270  16.197  -2.972
  534   2HB   TYR  72          3HB       TYR  72  88.889  15.869  -2.345
  535    HD1  TYR  72           HD1      TYR  72  85.275  15.052  -1.959
  536    HD2  TYR  72           HD2      TYR  72  89.292  14.113  -0.758
  537    HE1  TYR  72           HE1      TYR  72  84.466  12.980  -0.852
  538    HE2  TYR  72           HE2      TYR  72  88.480  12.048   0.351
  539    HH   TYR  72           HH       TYR  72  86.413  11.161   1.293
  540    H    ASN  73           HN       ASN  73  85.935  18.341  -2.433
  541    HA   ASN  73           HA       ASN  73  83.794  17.961  -0.391
  542   1HB   ASN  73          2HB       ASN  73  82.647  19.841  -1.441
  543   2HB   ASN  73          3HB       ASN  73  84.310  20.318  -1.101
  544   1HD2  ASN  73          HD22      ASN  73  82.996  20.192  -4.936
  545   2HD2  ASN  73          HD21      ASN  73  81.976  19.802  -3.637
  546    H    LEU  74           HN       LEU  74  82.753  16.060  -0.905
  547    HA   LEU  74           HA       LEU  74  81.617  14.448  -2.194
  548   1HB   LEU  74          2HB       LEU  74  80.031  16.322  -2.248
  549   2HB   LEU  74          3HB       LEU  74  80.849  16.986  -3.661
  550    HG   LEU  74           HG       LEU  74  80.309  14.898  -4.913
  551   1HD1  LEU  74          HD13      LEU  74  79.027  14.239  -2.265
  552   2HD1  LEU  74          HD12      LEU  74  78.381  13.558  -3.760
  553   3HD1  LEU  74          HD11      LEU  74  80.044  13.221  -3.281
  554   1HD2  LEU  74          HD21      LEU  74  78.836  16.987  -4.828
  555   2HD2  LEU  74          HD23      LEU  74  78.025  15.498  -5.316
  556   3HD2  LEU  74          HD22      LEU  74  77.827  16.112  -3.675
  557    H    TYR  75           HN       TYR  75  83.302  13.255  -3.215
  558    HA   TYR  75           HA       TYR  75  84.866  14.115  -5.426
  559   1HB   TYR  75          2HB       TYR  75  84.507  11.420  -5.915
  560   2HB   TYR  75          3HB       TYR  75  85.735  12.098  -4.851
  561    HD1  TYR  75           HD2      TYR  75  82.024  11.549  -4.616
  562    HD2  TYR  75           HD1      TYR  75  85.889  10.984  -2.837
  563    HE1  TYR  75           HE2      TYR  75  80.967  10.442  -2.680
  564    HE2  TYR  75           HE1      TYR  75  84.831   9.871  -0.889
  565    HH   TYR  75           HH       TYR  75  82.907   9.333   0.101
  566    H    SER  76           HN       SER  76  84.601  13.692  -7.700
  567    HA   SER  76           HA       SER  76  82.050  14.333  -8.762
  568   1HB   SER  76          2HB       SER  76  83.014  13.838 -10.926
  569   2HB   SER  76          3HB       SER  76  84.264  14.582  -9.934
  570    HG   SER  76           HG       SER  76  84.235  12.165 -11.087
  571    H    SER  77           HN       SER  77  83.608  11.134  -8.369
  572    HA   SER  77           HA       SER  77  80.924   9.912  -8.605
  573   1HB   SER  77          2HB       SER  77  83.245   9.047 -10.354
  574   2HB   SER  77          3HB       SER  77  81.647   8.312 -10.312
  575    HG   SER  77           HG       SER  77  80.794  10.284 -11.041
  576    H    LEU  78           HN       LEU  78  80.920   7.648  -7.878
  577    HA   LEU  78           HA       LEU  78  82.494   7.213  -5.527
  578   1HB   LEU  78          2HB       LEU  78  80.798   5.370  -7.229
  579   2HB   LEU  78          3HB       LEU  78  81.599   4.823  -5.757
  580    HG   LEU  78           HG       LEU  78  79.727   7.204  -5.850
  581   1HD1  LEU  78          HD12      LEU  78  79.202   4.292  -5.646
  582   2HD1  LEU  78          HD11      LEU  78  78.376   5.302  -4.459
  583   3HD1  LEU  78          HD13      LEU  78  78.136   5.592  -6.184
  584   1HD2  LEU  78          HD23      LEU  78  81.521   6.084  -3.886
  585   2HD2  LEU  78          HD22      LEU  78  80.502   7.519  -3.752
  586   3HD2  LEU  78          HD21      LEU  78  79.858   5.938  -3.313
  587    H    LYS  79           HN       LYS  79  82.913   6.229  -8.895
  588    HA   LYS  79           HA       LYS  79  84.926   4.251  -8.525
  589   1HB   LYS  79          2HB       LYS  79  84.394   6.185 -10.791
  590   2HB   LYS  79          3HB       LYS  79  85.629   4.930 -10.873
  591   1HG   LYS  79          2HG       LYS  79  83.942   3.197 -10.503
  592   2HG   LYS  79          3HG       LYS  79  82.692   4.429 -10.317
  593   1HD   LYS  79          2HD       LYS  79  82.365   4.054 -12.545
  594   2HD   LYS  79          3HD       LYS  79  83.725   5.165 -12.712
  595   1HE   LYS  79          2HE       LYS  79  84.104   3.132 -14.048
  596   2HE   LYS  79          3HE       LYS  79  85.290   3.257 -12.749
  597   1HZ   LYS  79           HZ2      LYS  79  82.850   1.840 -12.080
  598   2HZ   LYS  79           HZ1      LYS  79  83.837   1.076 -13.232
  599   3HZ   LYS  79           HZ3      LYS  79  84.464   1.465 -11.706
  600    H    GLU  80           HN       GLU  80  85.148   7.782  -8.878
  601    HA   GLU  80           HA       GLU  80  88.022   7.898  -8.800
  602   1HB   GLU  80          2HB       GLU  80  85.927   9.961  -8.035
  603   2HB   GLU  80          3HB       GLU  80  87.651  10.299  -8.168
  604   1HG   GLU  80          2HG       GLU  80  85.943   9.188 -10.406
  605   2HG   GLU  80          3HG       GLU  80  86.399  10.883 -10.244
  606    H    LEU  81           HN       LEU  81  85.528   7.650  -6.369
  607    HA   LEU  81           HA       LEU  81  86.952   8.489  -4.068
  608   1HB   LEU  81          2HB       LEU  81  84.508   7.879  -4.184
  609   2HB   LEU  81          3HB       LEU  81  84.993   6.182  -4.203
  610    HG   LEU  81           HG       LEU  81  85.896   8.101  -2.044
  611   1HD1  LEU  81          HD12      LEU  81  83.324   7.765  -2.291
  612   2HD1  LEU  81          HD11      LEU  81  83.640   6.130  -1.706
  613   3HD1  LEU  81          HD13      LEU  81  84.055   7.521  -0.704
  614   1HD2  LEU  81          HD21      LEU  81  86.221   5.228  -2.649
  615   2HD2  LEU  81          HD23      LEU  81  87.221   6.290  -1.657
  616   3HD2  LEU  81          HD22      LEU  81  85.758   5.572  -0.982
  617    H    VAL  82           HN       VAL  82  86.768   5.232  -5.554
  618    HA   VAL  82           HA       VAL  82  88.599   4.116  -3.597
  619    HB   VAL  82           HB       VAL  82  87.713   3.080  -6.313
  620   1HG1  VAL  82          HG11      VAL  82  89.569   2.019  -4.211
  621   2HG1  VAL  82          HG13      VAL  82  88.552   0.881  -5.093
  622   3HG1  VAL  82          HG12      VAL  82  89.692   1.907  -5.966
  623   1HG2  VAL  82          HG22      VAL  82  86.709   2.832  -3.506
  624   2HG2  VAL  82          HG21      VAL  82  85.802   2.878  -5.019
  625   3HG2  VAL  82          HG23      VAL  82  86.628   1.397  -4.528
  626    H    LEU  83           HN       LEU  83  88.899   5.316  -6.931
  627    HA   LEU  83           HA       LEU  83  91.675   4.688  -7.264
  628   1HB   LEU  83          2HB       LEU  83  89.921   6.800  -8.546
  629   2HB   LEU  83          3HB       LEU  83  91.574   6.460  -9.059
  630    HG   LEU  83           HG       LEU  83  89.468   4.295  -8.904
  631   1HD1  LEU  83          HD12      LEU  83  89.841   6.444 -10.889
  632   2HD1  LEU  83          HD11      LEU  83  89.807   4.820 -11.574
  633   3HD1  LEU  83          HD13      LEU  83  88.448   5.402 -10.613
  634   1HD2  LEU  83          HD21      LEU  83  92.250   4.305  -9.348
  635   2HD2  LEU  83          HD23      LEU  83  91.143   2.965  -9.622
  636   3HD2  LEU  83          HD22      LEU  83  91.529   4.071 -10.939
  637    H    HIS  84           HN       HIS  84  90.025   7.649  -6.140
  638    HA   HIS  84           HA       HIS  84  92.386   9.222  -5.842
  639   1HB   HIS  84          2HB       HIS  84  90.066  10.126  -5.773
  640   2HB   HIS  84          3HB       HIS  84  89.841   9.361  -4.199
  641    HD1  HIS  84           HD1      HIS  84  91.064  10.398  -2.175
  642    HD2  HIS  84           HD2      HIS  84  91.825  12.376  -5.764
  643    HE1  HIS  84           HE1      HIS  84  92.212  12.573  -1.563
  644    H    TYR  85           HN       TYR  85  90.728   7.052  -3.559
  645    HA   TYR  85           HA       TYR  85  92.491   7.610  -1.342
  646   1HB   TYR  85          2HB       TYR  85  90.531   5.407  -1.974
  647   2HB   TYR  85          3HB       TYR  85  91.535   5.351  -0.526
  648    HD1  TYR  85           HD2      TYR  85  89.707   8.108  -2.321
  649    HD2  TYR  85           HD1      TYR  85  90.347   5.983   1.357
  650    HE1  TYR  85           HE2      TYR  85  88.160   9.659  -1.159
  651    HE2  TYR  85           HE1      TYR  85  88.797   7.534   2.520
  652    HH   TYR  85           HH       TYR  85  87.127  10.138   0.751
  653    H    GLN  86           HN       GLN  86  92.704   5.369  -4.058
  654    HA   GLN  86           HA       GLN  86  94.627   3.599  -2.879
  655   1HB   GLN  86          2HB       GLN  86  94.859   2.658  -4.987
  656   2HB   GLN  86          3HB       GLN  86  93.292   3.447  -5.164
  657   1HG   GLN  86          2HG       GLN  86  94.746   5.504  -5.950
  658   2HG   GLN  86          3HG       GLN  86  95.962   4.268  -6.265
  659   1HE2  GLN  86          HE22      GLN  86  93.192   2.645  -8.398
  660   2HE2  GLN  86          HE21      GLN  86  93.699   2.262  -6.825
  661    H    HIS  87           HN       HIS  87  94.925   6.725  -4.463
  662    HA   HIS  87           HA       HIS  87  97.874   6.557  -4.402
  663   1HB   HIS  87          2HB       HIS  87  95.981   8.772  -5.266
  664   2HB   HIS  87          3HB       HIS  87  97.738   8.857  -5.386
  665    HD1  HIS  87           HD1      HIS  87  95.677   8.823  -7.851
  666    HD2  HIS  87           HD2      HIS  87  97.953   5.601  -6.504
  667    HE1  HIS  87           HE1      HIS  87  95.915   7.243  -9.818
  668    H    THR  88           HN       THR  88  95.219   8.012  -2.641
  669    HA   THR  88           HA       THR  88  97.086   9.576  -0.957
  670    HB   THR  88           HB       THR  88  94.792  10.251   0.077
  671    HG1  THR  88           HG1      THR  88  93.055   9.783  -1.129
  672   1HG2  THR  88          HG23      THR  88  96.215  11.066  -2.314
  673   2HG2  THR  88          HG22      THR  88  94.493  11.404  -2.463
  674   3HG2  THR  88          HG21      THR  88  95.407  12.070  -1.111
  675    H    SER  89           HN       SER  89  97.466   9.113   1.160
  676    HA   SER  89           HA       SER  89  96.898   6.395   2.041
  677   1HB   SER  89          2HB       SER  89  98.411   6.860   3.816
  678   2HB   SER  89          3HB       SER  89  99.054   7.702   2.406
  679    HG   SER  89           HG       SER  89  97.348   9.334   3.570
  680    H    LEU  90           HN       LEU  90  95.463   5.781   3.652
  681    HA   LEU  90           HA       LEU  90  93.258   7.536   4.183
  682   1HB   LEU  90          2HB       LEU  90  94.061   4.831   5.239
  683   2HB   LEU  90          3HB       LEU  90  92.665   5.685   5.898
  684    HG   LEU  90           HG       LEU  90  91.893   5.971   3.467
  685   1HD1  LEU  90          HD13      LEU  90  93.949   3.769   3.106
  686   2HD1  LEU  90          HD12      LEU  90  92.770   4.272   1.896
  687   3HD1  LEU  90          HD11      LEU  90  94.036   5.383   2.405
  688   1HD2  LEU  90          HD22      LEU  90  91.927   3.452   5.075
  689   2HD2  LEU  90          HD21      LEU  90  90.565   4.466   4.606
  690   3HD2  LEU  90          HD23      LEU  90  91.290   3.366   3.433
  691    H    VAL  91           HN       VAL  91  96.251   6.924   5.934
  692    HA   VAL  91           HA       VAL  91  96.437   7.447   8.430
  693    HB   VAL  91           HB       VAL  91  96.983   9.800   6.576
  694   1HG1  VAL  91          HG12      VAL  91  97.967   9.195   9.386
  695   2HG1  VAL  91          HG11      VAL  91  98.598  10.480   8.354
  696   3HG1  VAL  91          HG13      VAL  91  96.924  10.532   8.901
  697   1HG2  VAL  91          HG22      VAL  91  98.603   7.408   7.473
  698   2HG2  VAL  91          HG21      VAL  91  98.255   7.933   5.825
  699   3HG2  VAL  91          HG23      VAL  91  99.364   8.864   6.830
  700    H    GLN  92           HN       GLN  92  95.094  10.269   6.728
  701    HA   GLN  92           HA       GLN  92  93.692  11.965   7.594
  702   1HB   GLN  92          2HB       GLN  92  92.138   9.383   7.840
  703   2HB   GLN  92          3HB       GLN  92  91.405  10.976   8.013
  704   1HG   GLN  92          2HG       GLN  92  93.047  10.209   5.592
  705   2HG   GLN  92          3HG       GLN  92  91.298   9.965   5.666
  706   1HE2  GLN  92          HE22      GLN  92  91.457  13.292   4.218
  707   2HE2  GLN  92          HE21      GLN  92  91.527  11.659   3.761
  708    H    HIS  93           HN       HIS  93  91.652  10.522   9.661
  709    HA   HIS  93           HA       HIS  93  92.722  11.913  11.957
  710   1HB   HIS  93          2HB       HIS  93  90.794  10.944  13.153
  711   2HB   HIS  93          3HB       HIS  93  90.298  11.609  11.597
  712    HD1  HIS  93           HD1      HIS  93  90.591   8.406  13.473
  713    HD2  HIS  93           HD2      HIS  93  89.725   9.640   9.585
  714    HE1  HIS  93           HE1      HIS  93  89.589   6.402  12.289
  715    H    ASN  94           HN       ASN  94  93.082  10.778  14.076
  716    HA   ASN  94           HA       ASN  94  94.324   9.276  15.368
  717   1HB   ASN  94          2HB       ASN  94  93.511   7.302  13.196
  718   2HB   ASN  94          3HB       ASN  94  94.212   6.878  14.758
  719   1HD2  ASN  94          HD22      ASN  94  91.039   8.655  16.115
  720   2HD2  ASN  94          HD21      ASN  94  92.590   9.308  15.883
  721    H    ASP  95           HN       ASP  95  95.130  10.430  12.458
  722    HA   ASP  95           HA       ASP  95  97.047  10.274  11.062
  723   1HB   ASP  95          2HB       ASP  95  98.104  10.558  13.887
  724   2HB   ASP  95          3HB       ASP  95  99.099  10.775  12.448
  725    H    SER  96           HN       SER  96  96.028   7.600  11.978
  726    HA   SER  96           HA       SER  96  98.645   6.194  11.771
  727   1HB   SER  96          2HB       SER  96  97.755   4.425  13.260
  728   2HB   SER  96          3HB       SER  96  97.814   5.988  14.070
  729    HG   SER  96           HG       SER  96  95.801   5.214  14.454
  730    H    LEU  97           HN       LEU  97  95.859   6.735  10.110
  731    HA   LEU  97           HA       LEU  97  95.430   3.952   9.239
  732   1HB   LEU  97          2HB       LEU  97  94.313   6.582   8.208
  733   2HB   LEU  97          3HB       LEU  97  93.847   4.990   7.605
  734    HG   LEU  97           HG       LEU  97  93.639   5.774  10.518
  735   1HD1  LEU  97          HD12      LEU  97  92.148   6.965   8.595
  736   2HD1  LEU  97          HD11      LEU  97  91.189   5.510   8.863
  737   3HD1  LEU  97          HD13      LEU  97  91.529   6.602  10.205
  738   1HD2  LEU  97          HD22      LEU  97  93.111   3.363   8.907
  739   2HD2  LEU  97          HD21      LEU  97  93.391   3.517  10.640
  740   3HD2  LEU  97          HD23      LEU  97  91.784   3.817   9.977
  741    H    ASN  98           HN       ASN  98  98.004   4.303   8.902
  742    HA   ASN  98           HA       ASN  98  98.671   5.537   6.350
  743   1HB   ASN  98          2HB       ASN  98 100.270   5.433   8.243
  744   2HB   ASN  98          3HB       ASN  98 100.313   3.675   8.091
  745   1HD2  ASN  98          HD22      ASN  98 101.524   5.122   4.534
  746   2HD2  ASN  98          HD21      ASN  98  99.913   5.221   5.061
  747    H    VAL  99           HN       VAL  99  97.375   4.484   4.861
  748    HA   VAL  99           HA       VAL  99  98.465   2.072   3.725
  749    HB   VAL  99           HB       VAL  99  97.227   0.974   5.500
  750   1HG1  VAL  99          HG11      VAL  99  95.222   3.032   4.752
  751   2HG1  VAL  99          HG13      VAL  99  94.576   1.451   5.193
  752   3HG1  VAL  99          HG12      VAL  99  95.589   2.341   6.329
  753   1HG2  VAL  99          HG22      VAL  99  97.131   0.003   3.193
  754   2HG2  VAL  99          HG21      VAL  99  95.702  -0.386   4.152
  755   3HG2  VAL  99          HG23      VAL  99  95.623   0.878   2.925
  756    H    THR 100           HN       THR 100  97.327   1.550   1.690
  757    HA   THR 100           HA       THR 100  95.569   3.799   0.785
  758    HB   THR 100           HB       THR 100  96.727   3.762  -1.367
  759    HG1  THR 100           HG1      THR 100  98.731   2.098  -0.450
  760   1HG2  THR 100          HG23      THR 100  98.363   4.031   1.139
  761   2HG2  THR 100          HG22      THR 100  99.131   4.247  -0.434
  762   3HG2  THR 100          HG21      THR 100  97.793   5.291   0.043
  763    H    LEU 101           HN       LEU 101  93.975   3.204  -0.825
  764    HA   LEU 101           HA       LEU 101  93.197   0.362  -0.670
  765   1HB   LEU 101          2HB       LEU 101  91.867   2.578  -2.257
  766   2HB   LEU 101          3HB       LEU 101  91.144   1.054  -1.736
  767    HG   LEU 101           HG       LEU 101  92.062   3.321   0.053
  768   1HD1  LEU 101          HD11      LEU 101  89.719   3.089  -1.344
  769   2HD1  LEU 101          HD13      LEU 101  89.299   2.302   0.175
  770   3HD1  LEU 101          HD12      LEU 101  89.885   3.963   0.179
  771   1HD2  LEU 101          HD21      LEU 101  91.464   0.481   0.582
  772   2HD2  LEU 101          HD23      LEU 101  92.379   1.634   1.550
  773   3HD2  LEU 101          HD22      LEU 101  90.617   1.610   1.630
  774    H    ALA 102           HN       ALA 102  95.397  -0.009  -1.861
  775    HA   ALA 102           HA       ALA 102  95.213   0.473  -4.770
  776   1HB   ALA 102           HB2      ALA 102  97.316   0.751  -3.236
  777   2HB   ALA 102           HB1      ALA 102  97.482  -0.990  -3.466
  778   3HB   ALA 102           HB3      ALA 102  97.501   0.091  -4.859
  779    H    TYR 103           HN       TYR 103  94.764  -2.255  -2.565
  780    HA   TYR 103           HA       TYR 103  94.714  -4.009  -4.996
  781   1HB   TYR 103          2HB       TYR 103  95.239  -4.756  -2.116
  782   2HB   TYR 103          3HB       TYR 103  95.135  -5.891  -3.459
  783    HD1  TYR 103           HD1      TYR 103  96.780  -5.632  -5.406
  784    HD2  TYR 103           HD2      TYR 103  97.240  -3.584  -1.657
  785    HE1  TYR 103           HE1      TYR 103  99.174  -5.243  -5.917
  786    HE2  TYR 103           HE2      TYR 103  99.637  -3.192  -2.169
  787    HH   TYR 103           HH       TYR 103 101.377  -3.956  -3.528
  788    HA   PRO 104           HA       PRO 104  90.243  -4.059  -4.025
  789   1HB   PRO 104          2HB       PRO 104  90.280  -6.057  -6.206
  790   2HB   PRO 104          3HB       PRO 104  89.329  -4.577  -6.031
  791   1HG   PRO 104          2HG       PRO 104  91.362  -4.782  -7.767
  792   2HG   PRO 104          3HG       PRO 104  90.931  -3.260  -6.969
  793   1HD   PRO 104          2HD       PRO 104  93.232  -5.077  -6.431
  794   2HD   PRO 104          3HD       PRO 104  93.102  -3.316  -6.234
  795    H    VAL 105           HN       VAL 105  89.030  -5.564  -2.826
  796    HA   VAL 105           HA       VAL 105  90.461  -7.831  -1.734
  797    HB   VAL 105           HB       VAL 105  88.817  -6.560  -0.401
  798   1HG1  VAL 105          HG11      VAL 105  87.030  -7.390  -2.630
  799   2HG1  VAL 105          HG13      VAL 105  86.334  -7.419  -1.009
  800   3HG1  VAL 105          HG12      VAL 105  87.008  -5.927  -1.657
  801   1HG2  VAL 105          HG21      VAL 105  88.355  -9.508  -0.886
  802   2HG2  VAL 105          HG23      VAL 105  89.210  -8.728   0.445
  803   3HG2  VAL 105          HG22      VAL 105  87.453  -8.631   0.352
  804    H    TYR 106           HN       TYR 106  88.187  -7.400  -4.349
  805    HA   TYR 106           HA       TYR 106  88.160 -10.363  -4.759
  806   1HB   TYR 106          2HB       TYR 106  86.147  -8.221  -5.248
  807   2HB   TYR 106          3HB       TYR 106  86.192  -9.568  -6.382
  808    HD1  TYR 106           HD2      TYR 106  86.848  -9.504  -2.684
  809    HD2  TYR 106           HD1      TYR 106  84.337 -10.904  -5.866
  810    HE1  TYR 106           HE2      TYR 106  85.592 -10.894  -1.073
  811    HE2  TYR 106           HE1      TYR 106  83.081 -12.303  -4.255
  812    HH   TYR 106           HH       TYR 106  84.184 -13.073  -1.249
  813    H    ALA 107           HN       ALA 107  90.260  -8.419  -5.617
  814    HA   ALA 107           HA       ALA 107  90.022  -7.820  -8.389
  815   1HB   ALA 107           HB2      ALA 107  92.000  -7.591  -6.383
  816   2HB   ALA 107           HB1      ALA 107  92.738  -8.518  -7.688
  817   3HB   ALA 107           HB3      ALA 107  92.055  -6.926  -8.016
  818    H    GLN 108           HN       GLN 108  90.128  -9.131 -10.170
  819    HA   GLN 108           HA       GLN 108  91.076 -11.946  -9.758
  820   1HB   GLN 108          2HB       GLN 108  88.851 -10.865 -11.520
  821   2HB   GLN 108          3HB       GLN 108  89.456 -12.521 -11.609
  822   1HG   GLN 108          2HG       GLN 108  88.832 -12.937  -9.299
  823   2HG   GLN 108          3HG       GLN 108  88.392 -11.246  -9.075
  824   1HE2  GLN 108          HE22      GLN 108  85.326 -13.353  -9.883
  825   2HE2  GLN 108          HE21      GLN 108  86.576 -13.570  -8.756
  826    H    GLN 109           HN       GLN 109  92.389 -12.824 -11.452
  827    HA   GLN 109           HA       GLN 109  93.575 -10.742 -13.214
  828   1HB   GLN 109          2HB       GLN 109  94.528 -13.526 -12.488
  829   2HB   GLN 109          3HB       GLN 109  95.390 -12.424 -13.564
  830   1HG   GLN 109          2HG       GLN 109  94.700 -11.903 -10.656
  831   2HG   GLN 109          3HG       GLN 109  96.307 -12.259 -11.294
  832   1HE2  GLN 109          HE22      GLN 109  96.466  -9.020 -13.025
  833   2HE2  GLN 109          HE21      GLN 109  96.755 -10.655 -13.372
  834    H    ARG 110           HN       ARG 110  93.332 -10.825 -15.418
  835    HA   ARG 110           HA       ARG 110  91.303 -12.504 -16.555
  836   1HB   ARG 110          2HB       ARG 110  91.898 -10.291 -17.479
  837   2HB   ARG 110          3HB       ARG 110  93.472 -10.925 -17.967
  838   1HG   ARG 110          2HG       ARG 110  92.294 -12.655 -19.337
  839   2HG   ARG 110          3HG       ARG 110  90.762 -11.872 -18.942
  840   1HD   ARG 110          2HD       ARG 110  93.095 -10.477 -20.289
  841   2HD   ARG 110          3HD       ARG 110  91.702 -11.136 -21.144
  842    HE   ARG 110           HE       ARG 110  90.572  -9.482 -19.237
  843   1HH1  ARG 110          HH21      ARG 110  93.058  -9.152 -21.605
  844   2HH1  ARG 110          HH22      ARG 110  92.673  -7.502 -21.965
  845   1HH2  ARG 110          HH11      ARG 110  90.055  -7.340 -19.689
  846   2HH2  ARG 110          HH12      ARG 110  90.965  -6.478 -20.885
  847    H    ARG 111           HN       ARG 111  94.858 -12.688 -16.598
  848    HA   ARG 111           HA       ARG 111  96.282 -14.411 -17.322
  849   1HB   ARG 111          2HB       ARG 111  95.113 -15.635 -15.517
  850   2HB   ARG 111          3HB       ARG 111  93.858 -16.110 -16.665
  851   1HG   ARG 111          2HG       ARG 111  95.629 -17.195 -18.069
  852   2HG   ARG 111          3HG       ARG 111  96.798 -16.839 -16.797
  853   1HD   ARG 111          2HD       ARG 111  95.502 -18.178 -15.202
  854   2HD   ARG 111          3HD       ARG 111  94.284 -18.493 -16.437
  855    HE   ARG 111           HE       ARG 111  96.662 -19.381 -17.576
  856   1HH1  ARG 111          HH21      ARG 111  94.866 -19.945 -14.687
  857   2HH1  ARG 111          HH22      ARG 111  95.449 -21.564 -14.483
  858   1HH2  ARG 111          HH11      ARG 111  97.423 -21.498 -17.327
  859   2HH2  ARG 111          HH12      ARG 111  96.883 -22.445 -15.980
   
  No H/Q in entry =         859
  Start of MODEL   23
    1   1H    GLU   1           HT1      GLU   1  91.002   1.265 -17.866
    2   2H    GLU   1           HT3      GLU   1  92.518   1.953 -18.179
    3   3H    GLU   1           HT2      GLU   1  91.178   2.394 -19.124
    4    HA   GLU   1           HA       GLU   1  91.496   0.718 -20.520
    5   1HB   GLU   1          2HB       GLU   1  93.914   0.260 -18.742
    6   2HB   GLU   1          3HB       GLU   1  93.693  -0.472 -20.334
    7   1HG   GLU   1          2HG       GLU   1  94.961   1.428 -20.844
    8   2HG   GLU   1          3HG       GLU   1  93.314   1.999 -21.122
    9    H    ASP   2           HN       ASP   2  93.145  -1.305 -18.272
   10    HA   ASP   2           HA       ASP   2  90.705  -3.013 -18.066
   11   1HB   ASP   2          2HB       ASP   2  92.656  -3.918 -19.414
   12   2HB   ASP   2          3HB       ASP   2  93.584  -3.942 -17.909
   13    H    LEU   3           HN       LEU   3  91.450  -0.862 -16.223
   14    HA   LEU   3           HA       LEU   3  92.662  -1.971 -13.831
   15   1HB   LEU   3          2HB       LEU   3  90.905   0.457 -14.288
   16   2HB   LEU   3          3HB       LEU   3  91.602   0.052 -12.722
   17    HG   LEU   3           HG       LEU   3  93.027   1.674 -13.861
   18   1HD1  LEU   3          HD13      LEU   3  93.900  -0.581 -12.662
   19   2HD1  LEU   3          HD12      LEU   3  94.620  -0.801 -14.258
   20   3HD1  LEU   3          HD11      LEU   3  94.994   0.641 -13.312
   21   1HD2  LEU   3          HD21      LEU   3  92.218   0.635 -16.184
   22   2HD2  LEU   3          HD23      LEU   3  93.761   1.477 -16.044
   23   3HD2  LEU   3          HD22      LEU   3  93.712  -0.286 -16.010
   24    HA   PRO   4           HA       PRO   4  89.178  -4.192 -12.230
   25   1HB   PRO   4          2HB       PRO   4  89.731  -4.061  -9.546
   26   2HB   PRO   4          3HB       PRO   4  90.587  -5.125 -10.680
   27   1HG   PRO   4          2HG       PRO   4  91.437  -2.518  -9.527
   28   2HG   PRO   4          3HG       PRO   4  92.391  -3.967  -9.881
   29   1HD   PRO   4          2HD       PRO   4  92.376  -1.747 -11.495
   30   2HD   PRO   4          3HD       PRO   4  92.708  -3.388 -12.088
   31    H    HIS   5           HN       HIS   5  89.553  -0.916 -11.845
   32    HA   HIS   5           HA       HIS   5  87.497  -0.371  -9.875
   33   1HB   HIS   5          2HB       HIS   5  88.810   1.347 -11.993
   34   2HB   HIS   5          3HB       HIS   5  87.674   1.964 -10.792
   35    HD1  HIS   5           HD1      HIS   5  88.389   1.046  -8.220
   36    HD2  HIS   5           HD2      HIS   5  91.414   1.571 -11.039
   37    HE1  HIS   5           HE1      HIS   5  90.552   1.170  -6.925
   38    H    HIS   6           HN       HIS   6  87.510  -1.033 -13.292
   39    HA   HIS   6           HA       HIS   6  85.034   0.179 -14.006
   40   1HB   HIS   6          2HB       HIS   6  86.389  -2.325 -15.060
   41   2HB   HIS   6          3HB       HIS   6  84.965  -1.596 -15.802
   42    HD1  HIS   6           HD1      HIS   6  85.339   1.082 -16.473
   43    HD2  HIS   6           HD2      HIS   6  88.759  -1.260 -16.010
   44    HE1  HIS   6           HE1      HIS   6  87.215   2.298 -17.673
   45    H    ASP   7           HN       ASP   7  85.785  -2.871 -12.382
   46    HA   ASP   7           HA       ASP   7  82.872  -3.429 -12.158
   47   1HB   ASP   7          2HB       ASP   7  85.305  -5.201 -11.965
   48   2HB   ASP   7          3HB       ASP   7  83.702  -5.739 -11.460
   49    H    GLU   8           HN       GLU   8  82.008  -2.867 -10.243
   50    HA   GLU   8           HA       GLU   8  83.564  -2.065  -7.976
   51   1HB   GLU   8          2HB       GLU   8  80.645  -2.832  -8.231
   52   2HB   GLU   8          3HB       GLU   8  81.356  -2.159  -6.771
   53   1HG   GLU   8          2HG       GLU   8  81.905  -0.108  -7.855
   54   2HG   GLU   8          3HG       GLU   8  81.532  -0.776  -9.448
   55    H    LYS   9           HN       LYS   9  82.621  -5.162  -9.128
   56    HA   LYS   9           HA       LYS   9  82.356  -6.639  -6.714
   57   1HB   LYS   9          2HB       LYS   9  82.770  -8.585  -8.039
   58   2HB   LYS   9          3HB       LYS   9  82.018  -7.431  -9.153
   59   1HG   LYS   9          2HG       LYS   9  84.438  -6.648  -9.624
   60   2HG   LYS   9          3HG       LYS   9  84.925  -8.168  -8.890
   61   1HD   LYS   9          2HD       LYS   9  83.674  -9.430 -10.542
   62   2HD   LYS   9          3HD       LYS   9  83.019  -7.936 -11.231
   63   1HE   LYS   9          2HE       LYS   9  85.557  -7.254 -11.404
   64   2HE   LYS   9          3HE       LYS   9  85.824  -8.996 -11.342
   65   1HZ   LYS   9           HZ1      LYS   9  83.725  -8.232 -13.148
   66   2HZ   LYS   9           HZ3      LYS   9  85.233  -7.580 -13.568
   67   3HZ   LYS   9           HZ2      LYS   9  85.055  -9.260 -13.403
   68    H    THR  10           HN       THR  10  85.242  -5.671  -8.508
   69    HA   THR  10           HA       THR  10  87.188  -7.214  -7.187
   70    HB   THR  10           HB       THR  10  88.737  -5.295  -7.815
   71    HG1  THR  10           HG1      THR  10  86.416  -4.046  -7.825
   72   1HG2  THR  10          HG22      THR  10  87.422  -7.164  -9.403
   73   2HG2  THR  10          HG21      THR  10  87.196  -5.644 -10.267
   74   3HG2  THR  10          HG23      THR  10  88.823  -6.203  -9.880
   75    H    TRP  11           HN       TRP  11  85.649  -4.184  -6.155
   76    HA   TRP  11           HA       TRP  11  87.081  -4.519  -3.550
   77   1HB   TRP  11          2HB       TRP  11  86.377  -1.899  -3.485
   78   2HB   TRP  11          3HB       TRP  11  87.938  -2.477  -4.072
   79    HD1  TRP  11           HD1      TRP  11  87.916  -3.123  -6.780
   80    HE1  TRP  11           HE1      TRP  11  86.889  -1.794  -8.732
   81    HE3  TRP  11           HE3      TRP  11  84.658  -0.230  -4.171
   82    HZ2  TRP  11           HZ2      TRP  11  84.959   0.327  -9.096
   83    HZ3  TRP  11           HZ3      TRP  11  83.252   1.448  -5.322
   84    HH2  TRP  11           HH2      TRP  11  83.395   1.729  -7.779
   85    H    ASN  12           HN       ASN  12  84.018  -3.720  -5.124
   86    HA   ASN  12           HA       ASN  12  82.671  -3.299  -2.555
   87   1HB   ASN  12          2HB       ASN  12  81.998  -2.133  -4.682
   88   2HB   ASN  12          3HB       ASN  12  81.393  -3.687  -5.259
   89   1HD2  ASN  12          HD22      ASN  12  78.304  -2.894  -3.749
   90   2HD2  ASN  12          HD21      ASN  12  79.136  -3.288  -5.177
   91    H    VAL  13           HN       VAL  13  81.750  -4.780  -1.344
   92    HA   VAL  13           HA       VAL  13  80.834  -7.330  -2.549
   93    HB   VAL  13           HB       VAL  13  81.820  -8.551  -0.590
   94   1HG1  VAL  13          HG13      VAL  13  82.943  -8.111  -2.931
   95   2HG1  VAL  13          HG12      VAL  13  84.055  -7.116  -1.992
   96   3HG1  VAL  13          HG11      VAL  13  83.890  -8.834  -1.630
   97   1HG2  VAL  13          HG21      VAL  13  82.019  -6.492   0.843
   98   2HG2  VAL  13          HG23      VAL  13  83.497  -7.450   0.771
   99   3HG2  VAL  13          HG22      VAL  13  83.356  -5.970  -0.180
  100    H    GLY  14           HN       GLY  14  79.512  -4.883  -1.564
  101   1HA   GLY  14          2HA       GLY  14  78.400  -4.586   0.828
  102   2HA   GLY  14          3HA       GLY  14  77.326  -4.733  -0.555
  103    H    SER  15           HN       SER  15  77.599  -7.416  -1.165
  104    HA   SER  15           HA       SER  15  75.760  -8.682   0.528
  105   1HB   SER  15          2HB       SER  15  76.384 -10.744  -0.570
  106   2HB   SER  15          3HB       SER  15  76.517  -9.455  -1.765
  107    HG   SER  15           HG       SER  15  78.711  -9.479  -1.534
  108    H    SER  16           HN       SER  16  79.059  -8.005   1.036
  109    HA   SER  16           HA       SER  16  79.703 -10.142   2.851
  110   1HB   SER  16          2HB       SER  16  81.630  -8.773   3.440
  111   2HB   SER  16          3HB       SER  16  81.389  -8.702   1.696
  112    HG   SER  16           HG       SER  16  81.727  -6.636   2.821
  113    H    ASN  17           HN       ASN  17  80.018  -9.889   5.162
  114    HA   ASN  17           HA       ASN  17  78.145  -7.911   6.388
  115   1HB   ASN  17          2HB       ASN  17  78.685 -10.787   7.191
  116   2HB   ASN  17          3HB       ASN  17  77.719  -9.653   8.138
  117   1HD2  ASN  17          HD22      ASN  17  75.863 -11.672   5.297
  118   2HD2  ASN  17          HD21      ASN  17  77.300 -12.152   6.067
  119    H    ARG  18           HN       ARG  18  78.787  -7.441   8.744
  120    HA   ARG  18           HA       ARG  18  81.518  -6.651   8.850
  121   1HB   ARG  18          2HB       ARG  18  79.463  -7.043  11.039
  122   2HB   ARG  18          3HB       ARG  18  81.070  -6.373  11.334
  123   1HG   ARG  18          2HG       ARG  18  80.549  -4.719   9.440
  124   2HG   ARG  18          3HG       ARG  18  78.872  -5.238   9.605
  125   1HD   ARG  18          2HD       ARG  18  79.225  -3.268  10.989
  126   2HD   ARG  18          3HD       ARG  18  78.968  -4.667  12.029
  127    HE   ARG  18           HE       ARG  18  81.740  -4.511  11.706
  128   1HH1  ARG  18          HH21      ARG  18  79.179  -2.438  12.699
  129   2HH1  ARG  18          HH22      ARG  18  80.149  -1.551  13.825
  130   1HH2  ARG  18          HH11      ARG  18  83.026  -3.369  13.184
  131   2HH2  ARG  18          HH12      ARG  18  82.324  -2.077  14.101
  132    H    ASN  19           HN       ASN  19  79.882  -9.515  10.242
  133    HA   ASN  19           HA       ASN  19  82.233 -10.566  11.519
  134   1HB   ASN  19          2HB       ASN  19  79.784 -11.991  10.434
  135   2HB   ASN  19          3HB       ASN  19  81.014 -12.749  11.440
  136   1HD2  ASN  19          HD22      ASN  19  78.081 -11.214  13.439
  137   2HD2  ASN  19          HD21      ASN  19  78.039 -12.026  11.948
  138    H    LYS  20           HN       LYS  20  80.805 -11.049   8.312
  139    HA   LYS  20           HA       LYS  20  82.814 -12.929   7.437
  140   1HB   LYS  20          2HB       LYS  20  80.577 -12.676   6.335
  141   2HB   LYS  20          3HB       LYS  20  81.091 -11.099   5.733
  142   1HG   LYS  20          2HG       LYS  20  82.941 -12.117   4.513
  143   2HG   LYS  20          3HG       LYS  20  82.551 -13.698   5.184
  144   1HD   LYS  20          2HD       LYS  20  80.505 -12.144   3.602
  145   2HD   LYS  20          3HD       LYS  20  81.703 -13.155   2.792
  146   1HE   LYS  20          2HE       LYS  20  79.724 -14.068   4.901
  147   2HE   LYS  20          3HE       LYS  20  79.671 -14.459   3.182
  148   1HZ   LYS  20           HZ2      LYS  20  82.170 -15.186   3.876
  149   2HZ   LYS  20           HZ1      LYS  20  81.291 -15.589   5.273
  150   3HZ   LYS  20           HZ3      LYS  20  80.843 -16.243   3.774
  151    H    ALA  21           HN       ALA  21  82.449  -9.432   7.372
  152    HA   ALA  21           HA       ALA  21  84.554  -8.745   5.626
  153   1HB   ALA  21           HB3      ALA  21  82.866  -7.184   6.760
  154   2HB   ALA  21           HB2      ALA  21  83.912  -7.245   8.178
  155   3HB   ALA  21           HB1      ALA  21  84.522  -6.584   6.665
  156    H    GLU  22           HN       GLU  22  84.670  -9.451   9.142
  157    HA   GLU  22           HA       GLU  22  87.444  -8.964   9.526
  158   1HB   GLU  22          2HB       GLU  22  85.833  -9.446  11.372
  159   2HB   GLU  22          3HB       GLU  22  85.760 -11.123  10.831
  160   1HG   GLU  22          2HG       GLU  22  88.132 -11.420  11.245
  161   2HG   GLU  22          3HG       GLU  22  88.318  -9.711  11.638
  162    H    ASN  23           HN       ASN  23  85.735 -11.954   8.594
  163    HA   ASN  23           HA       ASN  23  88.050 -13.585   8.332
  164   1HB   ASN  23          2HB       ASN  23  85.366 -13.668   6.938
  165   2HB   ASN  23          3HB       ASN  23  86.607 -14.894   6.694
  166   1HD2  ASN  23          HD22      ASN  23  86.283 -16.222  10.033
  167   2HD2  ASN  23          HD21      ASN  23  87.414 -15.984   8.789
  168    H    LEU  24           HN       LEU  24  86.358 -11.499   6.008
  169    HA   LEU  24           HA       LEU  24  88.130 -12.050   3.806
  170   1HB   LEU  24          2HB       LEU  24  86.288  -9.713   4.402
  171   2HB   LEU  24          3HB       LEU  24  87.170  -9.891   2.885
  172    HG   LEU  24           HG       LEU  24  85.281 -11.980   4.003
  173   1HD1  LEU  24          HD13      LEU  24  84.294  -9.693   3.235
  174   2HD1  LEU  24          HD12      LEU  24  84.731 -10.227   1.611
  175   3HD1  LEU  24          HD11      LEU  24  83.593 -11.171   2.573
  176   1HD2  LEU  24          HD22      LEU  24  87.173 -11.843   1.762
  177   2HD2  LEU  24          HD21      LEU  24  86.405 -13.250   2.499
  178   3HD2  LEU  24          HD23      LEU  24  85.548 -12.321   1.270
  179    H    LEU  25           HN       LEU  25  88.251  -9.903   6.571
  180    HA   LEU  25           HA       LEU  25  90.594  -8.461   5.447
  181   1HB   LEU  25          2HB       LEU  25  89.139  -8.124   8.092
  182   2HB   LEU  25          3HB       LEU  25  90.467  -7.114   7.525
  183    HG   LEU  25           HG       LEU  25  88.100  -7.455   5.726
  184   1HD1  LEU  25          HD13      LEU  25  87.349  -6.863   8.156
  185   2HD1  LEU  25          HD12      LEU  25  88.104  -5.302   7.834
  186   3HD1  LEU  25          HD11      LEU  25  86.770  -5.861   6.826
  187   1HD2  LEU  25          HD22      LEU  25  90.226  -6.229   5.126
  188   2HD2  LEU  25          HD21      LEU  25  88.766  -5.255   4.988
  189   3HD2  LEU  25          HD23      LEU  25  89.829  -5.050   6.383
  190    H    ARG  26           HN       ARG  26  89.992 -11.275   7.126
  191    HA   ARG  26           HA       ARG  26  92.430 -11.153   8.786
  192   1HB   ARG  26          2HB       ARG  26  90.973 -12.320  10.091
  193   2HB   ARG  26          3HB       ARG  26  89.919 -12.662   8.730
  194   1HG   ARG  26          2HG       ARG  26  90.810 -14.725   9.662
  195   2HG   ARG  26          3HG       ARG  26  91.399 -14.485   8.020
  196   1HD   ARG  26          2HD       ARG  26  93.350 -13.221   9.438
  197   2HD   ARG  26          3HD       ARG  26  92.884 -14.467  10.593
  198    HE   ARG  26           HE       ARG  26  94.548 -14.951   8.400
  199   1HH1  ARG  26          HH21      ARG  26  91.510 -16.094   9.579
  200   2HH1  ARG  26          HH22      ARG  26  91.576 -17.578   8.698
  201   1HH2  ARG  26          HH11      ARG  26  94.646 -16.916   7.262
  202   2HH2  ARG  26          HH12      ARG  26  93.344 -18.048   7.411
  203    H    GLY  27           HN       GLY  27  94.324 -11.891   7.968
  204   1HA   GLY  27          2HA       GLY  27  95.732 -13.457   6.831
  205   2HA   GLY  27          3HA       GLY  27  94.301 -14.146   6.064
  206    H    LYS  28           HN       LYS  28  94.094 -10.816   5.819
  207    HA   LYS  28           HA       LYS  28  95.074 -10.947   3.016
  208   1HB   LYS  28          2HB       LYS  28  93.187  -9.057   4.436
  209   2HB   LYS  28          3HB       LYS  28  93.799  -8.744   2.811
  210   1HG   LYS  28          2HG       LYS  28  92.268 -11.214   3.676
  211   2HG   LYS  28          3HG       LYS  28  91.620  -9.884   2.719
  212   1HD   LYS  28          2HD       LYS  28  93.834 -10.491   1.266
  213   2HD   LYS  28          3HD       LYS  28  93.418 -12.083   1.905
  214   1HE   LYS  28          2HE       LYS  28  91.479 -10.235   0.487
  215   2HE   LYS  28          3HE       LYS  28  92.292 -11.604  -0.268
  216   1HZ   LYS  28           HZ1      LYS  28  90.925 -12.190   2.217
  217   2HZ   LYS  28           HZ3      LYS  28  89.913 -11.760   0.927
  218   3HZ   LYS  28           HZ2      LYS  28  90.976 -13.075   0.769
  219    H    ARG  29           HN       ARG  29  96.779  -9.752   2.352
  220    HA   ARG  29           HA       ARG  29  98.514  -8.533   4.313
  221   1HB   ARG  29          2HB       ARG  29  98.573  -8.438   1.282
  222   2HB   ARG  29          3HB       ARG  29  99.850  -7.809   2.321
  223   1HG   ARG  29          2HG       ARG  29 100.301 -10.001   3.223
  224   2HG   ARG  29          3HG       ARG  29  98.886 -10.677   2.418
  225   1HD   ARG  29          2HD       ARG  29 100.862 -11.253   1.117
  226   2HD   ARG  29          3HD       ARG  29  99.910 -10.072   0.215
  227    HE   ARG  29           HE       ARG  29 101.677  -8.477   1.569
  228   1HH1  ARG  29          HH21      ARG  29 101.960 -11.358  -0.304
  229   2HH1  ARG  29          HH22      ARG  29 103.504 -10.938  -0.966
  230   1HH2  ARG  29          HH11      ARG  29 103.699  -7.907   0.696
  231   2HH2  ARG  29          HH12      ARG  29 104.485  -8.997  -0.402
  232    H    ASP  30           HN       ASP  30  99.212  -6.266   4.263
  233    HA   ASP  30           HA       ASP  30  97.050  -4.434   4.442
  234   1HB   ASP  30          2HB       ASP  30 100.025  -3.987   4.156
  235   2HB   ASP  30          3HB       ASP  30  98.869  -2.691   4.480
  236    H    GLY  31           HN       GLY  31  96.359  -2.789   3.066
  237   1HA   GLY  31          2HA       GLY  31  96.459  -1.517   0.987
  238   2HA   GLY  31          3HA       GLY  31  97.441  -2.809   0.290
  239    H    THR  32           HN       THR  32  95.545  -4.826   1.593
  240    HA   THR  32           HA       THR  32  93.693  -4.961  -0.670
  241    HB   THR  32           HB       THR  32  93.883  -6.755   1.767
  242    HG1  THR  32           HG1      THR  32  95.452  -7.732   0.771
  243   1HG2  THR  32          HG23      THR  32  92.280  -6.750  -0.736
  244   2HG2  THR  32          HG22      THR  32  92.904  -8.307  -0.189
  245   3HG2  THR  32          HG21      THR  32  91.864  -7.352   0.870
  246    H    PHE  33           HN       PHE  33  91.860  -3.747  -0.615
  247    HA   PHE  33           HA       PHE  33  90.423  -3.641   1.986
  248   1HB   PHE  33          2HB       PHE  33  90.394  -1.374   2.052
  249   2HB   PHE  33          3HB       PHE  33  91.718  -1.449   0.892
  250    HD1  PHE  33           HD2      PHE  33  88.142  -0.927   1.387
  251    HD2  PHE  33           HD1      PHE  33  91.300  -1.047  -1.508
  252    HE1  PHE  33           HE2      PHE  33  86.655   0.122  -0.286
  253    HE2  PHE  33           HE1      PHE  33  89.800   0.017  -3.177
  254    HZ   PHE  33           HZ       PHE  33  87.465   0.576  -2.552
  255    H    LEU  34           HN       LEU  34  88.105  -2.859   1.637
  256    HA   LEU  34           HA       LEU  34  87.020  -3.593  -1.028
  257   1HB   LEU  34          2HB       LEU  34  85.423  -5.191  -0.032
  258   2HB   LEU  34          3HB       LEU  34  87.086  -5.698   0.253
  259    HG   LEU  34           HG       LEU  34  86.596  -4.067   2.414
  260   1HD1  LEU  34          HD11      LEU  34  84.157  -4.113   1.627
  261   2HD1  LEU  34          HD13      LEU  34  84.157  -5.820   2.074
  262   3HD1  LEU  34          HD12      LEU  34  84.447  -4.585   3.302
  263   1HD2  LEU  34          HD23      LEU  34  86.254  -7.068   2.128
  264   2HD2  LEU  34          HD22      LEU  34  87.757  -6.213   2.480
  265   3HD2  LEU  34          HD21      LEU  34  86.451  -6.225   3.665
  266    H    VAL  35           HN       VAL  35  84.758  -2.937  -1.287
  267    HA   VAL  35           HA       VAL  35  84.049  -0.734   0.582
  268    HB   VAL  35           HB       VAL  35  83.273  -1.248  -2.304
  269   1HG1  VAL  35          HG12      VAL  35  81.850   0.206  -0.193
  270   2HG1  VAL  35          HG11      VAL  35  82.251   1.228  -1.572
  271   3HG1  VAL  35          HG13      VAL  35  81.303  -0.240  -1.810
  272   1HG2  VAL  35          HG21      VAL  35  84.758   0.933  -0.833
  273   2HG2  VAL  35          HG23      VAL  35  85.405  -0.149  -2.066
  274   3HG2  VAL  35          HG22      VAL  35  84.223   1.092  -2.500
  275    H    ARG  36           HN       ARG  36  82.310  -1.009   1.883
  276    HA   ARG  36           HA       ARG  36  80.210  -2.955   1.107
  277   1HB   ARG  36          2HB       ARG  36  80.282  -4.065   3.282
  278   2HB   ARG  36          3HB       ARG  36  81.863  -4.192   2.515
  279   1HG   ARG  36          2HG       ARG  36  82.650  -2.250   3.845
  280   2HG   ARG  36          3HG       ARG  36  81.074  -2.167   4.637
  281   1HD   ARG  36          2HD       ARG  36  81.810  -4.835   4.925
  282   2HD   ARG  36          3HD       ARG  36  83.327  -3.966   5.160
  283    HE   ARG  36           HE       ARG  36  81.365  -4.184   7.135
  284   1HH1  ARG  36          HH21      ARG  36  82.830  -1.616   5.357
  285   2HH1  ARG  36          HH22      ARG  36  82.569  -0.442   6.601
  286   1HH2  ARG  36          HH11      ARG  36  81.032  -2.643   8.761
  287   2HH2  ARG  36          HH12      ARG  36  81.553  -1.011   8.504
  288    H    GLU  37           HN       GLU  37  78.351  -2.776   2.896
  289    HA   GLU  37           HA       GLU  37  78.095   0.134   3.473
  290   1HB   GLU  37          2HB       GLU  37  76.283  -0.481   2.080
  291   2HB   GLU  37          3HB       GLU  37  76.093  -2.043   2.876
  292   1HG   GLU  37          2HG       GLU  37  75.057  -1.099   4.758
  293   2HG   GLU  37          3HG       GLU  37  75.678   0.509   4.412
  294    H    SER  38           HN       SER  38  76.888   0.609   5.555
  295    HA   SER  38           HA       SER  38  78.074  -0.995   7.693
  296   1HB   SER  38          2HB       SER  38  76.003   1.220   7.811
  297   2HB   SER  38          3HB       SER  38  76.873   0.559   9.193
  298    HG   SER  38           HG       SER  38  78.798   1.148   7.739
  299    H    SER  39           HN       SER  39  76.284  -2.209   5.780
  300    HA   SER  39           HA       SER  39  74.694  -3.865   5.708
  301   1HB   SER  39          2HB       SER  39  74.751  -3.542   8.734
  302   2HB   SER  39          3HB       SER  39  73.901  -4.821   7.884
  303    HG   SER  39           HG       SER  39  76.127  -5.058   6.836
  304    H    LYS  40           HN       LYS  40  74.201  -0.786   6.994
  305    HA   LYS  40           HA       LYS  40  71.261  -1.035   7.191
  306   1HB   LYS  40          2HB       LYS  40  72.533   0.362   8.817
  307   2HB   LYS  40          3HB       LYS  40  73.029   1.409   7.481
  308   1HG   LYS  40          2HG       LYS  40  70.710   1.954   6.989
  309   2HG   LYS  40          3HG       LYS  40  70.152   0.833   8.230
  310   1HD   LYS  40          2HD       LYS  40  70.823   2.200   9.971
  311   2HD   LYS  40          3HD       LYS  40  72.099   2.958   9.021
  312   1HE   LYS  40          2HE       LYS  40  70.447   4.229   7.744
  313   2HE   LYS  40          3HE       LYS  40  69.131   3.410   8.585
  314   1HZ   LYS  40           HZ2      LYS  40  71.052   4.593  10.360
  315   2HZ   LYS  40           HZ1      LYS  40  70.288   5.736   9.361
  316   3HZ   LYS  40           HZ3      LYS  40  69.361   4.722  10.354
  317    H    GLN  41           HN       GLN  41  70.037  -0.778   5.375
  318    HA   GLN  41           HA       GLN  41  70.959  -0.208   2.815
  319   1HB   GLN  41          2HB       GLN  41  68.643  -0.995   3.431
  320   2HB   GLN  41          3HB       GLN  41  68.249   0.674   3.844
  321   1HG   GLN  41          2HG       GLN  41  67.526   0.347   1.585
  322   2HG   GLN  41          3HG       GLN  41  69.009   1.305   1.496
  323   1HE2  GLN  41          HE22      GLN  41  69.410  -1.448  -0.944
  324   2HE2  GLN  41          HE21      GLN  41  68.446  -0.059  -0.784
  325    H    GLY  42           HN       GLY  42  71.782   1.560   1.854
  326   1HA   GLY  42          2HA       GLY  42  71.832   3.855   1.222
  327   2HA   GLY  42          3HA       GLY  42  70.848   4.252   2.626
  328    H    CYS  43           HN       CYS  43  73.363   2.250   3.613
  329    HA   CYS  43           HA       CYS  43  75.007   4.637   4.355
  330   1HB   CYS  43          2HB       CYS  43  74.031   3.463   6.309
  331   2HB   CYS  43          3HB       CYS  43  74.806   1.965   5.793
  332    HG   CYS  43           HG       CYS  43  77.082   2.889   6.454
  333    H    TYR  44           HN       TYR  44  77.330   4.383   4.159
  334    HA   TYR  44           HA       TYR  44  78.162   2.032   2.511
  335   1HB   TYR  44          2HB       TYR  44  78.823   4.961   2.080
  336   2HB   TYR  44          3HB       TYR  44  79.672   3.648   1.262
  337    HD1  TYR  44           HD1      TYR  44  78.505   2.230  -0.394
  338    HD2  TYR  44           HD2      TYR  44  76.524   5.510   1.547
  339    HE1  TYR  44           HE1      TYR  44  76.670   2.116  -2.066
  340    HE2  TYR  44           HE2      TYR  44  74.697   5.397  -0.120
  341    HH   TYR  44           HH       TYR  44  74.067   4.535  -2.090
  342    H    ALA  45           HN       ALA  45  80.415   1.391   2.800
  343    HA   ALA  45           HA       ALA  45  82.117   2.866   4.635
  344   1HB   ALA  45           HB3      ALA  45  80.615   1.762   6.270
  345   2HB   ALA  45           HB2      ALA  45  81.033   0.194   5.575
  346   3HB   ALA  45           HB1      ALA  45  82.265   1.157   6.389
  347    H    CYS  46           HN       CYS  46  84.216   2.378   4.197
  348    HA   CYS  46           HA       CYS  46  84.704   0.018   2.442
  349   1HB   CYS  46          2HB       CYS  46  86.415   2.498   2.793
  350   2HB   CYS  46          3HB       CYS  46  86.671   1.210   1.613
  351    HG   CYS  46           HG       CYS  46  84.357   1.910   0.502
  352    H    SER  47           HN       SER  47  85.971  -1.586   3.227
  353    HA   SER  47           HA       SER  47  87.295  -1.059   5.848
  354   1HB   SER  47          2HB       SER  47  85.537  -2.807   5.832
  355   2HB   SER  47          3HB       SER  47  86.453  -3.701   4.625
  356    HG   SER  47           HG       SER  47  87.100  -3.138   7.319
  357    H    VAL  48           HN       VAL  48  89.486  -1.303   6.035
  358    HA   VAL  48           HA       VAL  48  90.931  -2.555   3.750
  359    HB   VAL  48           HB       VAL  48  90.949  -0.026   3.653
  360   1HG1  VAL  48          HG13      VAL  48  91.050   0.269   6.140
  361   2HG1  VAL  48          HG12      VAL  48  92.699  -0.353   6.104
  362   3HG1  VAL  48          HG11      VAL  48  92.313   1.163   5.289
  363   1HG2  VAL  48          HG21      VAL  48  92.778  -1.707   2.831
  364   2HG2  VAL  48          HG23      VAL  48  93.163   0.015   2.891
  365   3HG2  VAL  48          HG22      VAL  48  93.718  -1.059   4.174
  366    H    VAL  49           HN       VAL  49  93.248  -3.001   4.352
  367    HA   VAL  49           HA       VAL  49  93.438  -3.723   7.253
  368    HB   VAL  49           HB       VAL  49  94.634  -5.235   4.924
  369   1HG1  VAL  49          HG13      VAL  49  95.536  -5.204   7.462
  370   2HG1  VAL  49          HG12      VAL  49  94.271  -6.423   7.622
  371   3HG1  VAL  49          HG11      VAL  49  95.578  -6.653   6.455
  372   1HG2  VAL  49          HG22      VAL  49  91.971  -5.170   5.771
  373   2HG2  VAL  49          HG21      VAL  49  92.717  -6.399   4.750
  374   3HG2  VAL  49          HG23      VAL  49  92.636  -6.632   6.496
  375    H    VAL  50           HN       VAL  50  95.277  -3.010   8.291
  376    HA   VAL  50           HA       VAL  50  97.480  -1.996   6.542
  377    HB   VAL  50           HB       VAL  50  96.052  -0.165   7.555
  378   1HG1  VAL  50          HG12      VAL  50  96.016  -1.703   9.749
  379   2HG1  VAL  50          HG11      VAL  50  97.366  -0.651  10.173
  380   3HG1  VAL  50          HG13      VAL  50  95.783   0.043   9.815
  381   1HG2  VAL  50          HG23      VAL  50  98.778  -0.315   7.219
  382   2HG2  VAL  50          HG22      VAL  50  97.899   1.159   7.633
  383   3HG2  VAL  50          HG21      VAL  50  98.647   0.194   8.904
  384    H    ASP  51           HN       ASP  51  99.586  -1.931   7.646
  385    HA   ASP  51           HA       ASP  51 100.369  -4.333   8.830
  386   1HB   ASP  51          2HB       ASP  51 101.617  -1.582   9.029
  387   2HB   ASP  51          3HB       ASP  51 102.406  -3.047   9.628
  388    H    GLY  52           HN       GLY  52  98.794  -1.696  10.254
  389   1HA   GLY  52          2HA       GLY  52  99.563  -2.396  12.997
  390   2HA   GLY  52          3HA       GLY  52  98.407  -1.145  12.535
  391    H    GLU  53           HN       GLU  53  96.443  -2.297  11.233
  392    HA   GLU  53           HA       GLU  53  95.688  -4.890  12.278
  393   1HB   GLU  53          2HB       GLU  53  95.241  -2.652  13.969
  394   2HB   GLU  53          3HB       GLU  53  93.665  -3.174  13.366
  395   1HG   GLU  53          2HG       GLU  53  94.368  -5.546  13.947
  396   2HG   GLU  53          3HG       GLU  53  95.740  -4.837  14.792
  397    H    VAL  54           HN       VAL  54  92.953  -4.690  12.233
  398    HA   VAL  54           HA       VAL  54  92.416  -4.123   9.363
  399    HB   VAL  54           HB       VAL  54  90.872  -5.680  11.471
  400   1HG1  VAL  54          HG13      VAL  54  90.285  -5.123   8.555
  401   2HG1  VAL  54          HG12      VAL  54  89.541  -6.449   9.449
  402   3HG1  VAL  54          HG11      VAL  54  89.255  -4.782   9.946
  403   1HG2  VAL  54          HG22      VAL  54  92.752  -6.407   9.244
  404   2HG2  VAL  54          HG21      VAL  54  92.643  -7.073  10.874
  405   3HG2  VAL  54          HG23      VAL  54  91.447  -7.517   9.658
  406    H    LYS  55           HN       LYS  55  91.313  -2.213   8.884
  407    HA   LYS  55           HA       LYS  55  89.713  -1.008  11.117
  408   1HB   LYS  55          2HB       LYS  55  91.368   0.312   8.964
  409   2HB   LYS  55          3HB       LYS  55  90.165   1.190   9.911
  410   1HG   LYS  55          2HG       LYS  55  92.082   1.536  11.180
  411   2HG   LYS  55          3HG       LYS  55  91.403   0.110  11.959
  412   1HD   LYS  55          2HD       LYS  55  92.869  -1.331  10.576
  413   2HD   LYS  55          3HD       LYS  55  93.567   0.112   9.836
  414   1HE   LYS  55          2HE       LYS  55  94.457   0.867  11.943
  415   2HE   LYS  55          3HE       LYS  55  93.572  -0.374  12.825
  416   1HZ   LYS  55           HZ2      LYS  55  94.979  -1.802  11.023
  417   2HZ   LYS  55           HZ1      LYS  55  96.064  -0.553  11.415
  418   3HZ   LYS  55           HZ3      LYS  55  95.436  -1.547  12.637
  419    H    HIS  56           HN       HIS  56  87.779   0.067  10.565
  420    HA   HIS  56           HA       HIS  56  86.642  -0.715   7.908
  421   1HB   HIS  56          2HB       HIS  56  85.243  -0.277  10.568
  422   2HB   HIS  56          3HB       HIS  56  84.415  -0.582   9.041
  423    HD1  HIS  56           HD1      HIS  56  85.699  -2.925   7.828
  424    HD2  HIS  56           HD2      HIS  56  85.315  -2.616  11.966
  425    HE1  HIS  56           HE1      HIS  56  85.834  -5.286   8.743
  426    H    CYS  57           HN       CYS  57  86.611   1.101   6.630
  427    HA   CYS  57           HA       CYS  57  86.378   3.774   7.874
  428   1HB   CYS  57          2HB       CYS  57  87.971   3.327   5.967
  429   2HB   CYS  57          3HB       CYS  57  86.571   3.030   4.934
  430    HG   CYS  57           HG       CYS  57  87.252   5.810   6.194
  431    H    VAL  58           HN       VAL  58  84.424   4.740   8.116
  432    HA   VAL  58           HA       VAL  58  82.130   3.510   6.697
  433    HB   VAL  58           HB       VAL  58  82.221   3.835   9.236
  434   1HG1  VAL  58          HG12      VAL  58  83.050   6.281   8.776
  435   2HG1  VAL  58          HG11      VAL  58  81.328   6.634   8.621
  436   3HG1  VAL  58          HG13      VAL  58  81.962   5.972  10.127
  437   1HG2  VAL  58          HG23      VAL  58  80.146   3.489   7.698
  438   2HG2  VAL  58          HG22      VAL  58  79.873   4.100   9.330
  439   3HG2  VAL  58          HG21      VAL  58  79.854   5.209   7.959
  440    H    ILE  59           HN       ILE  59  81.300   4.525   4.976
  441    HA   ILE  59           HA       ILE  59  81.681   7.477   4.743
  442    HB   ILE  59           HB       ILE  59  81.408   5.400   2.541
  443   1HG1  ILE  59          HG12      ILE  59  83.787   7.164   3.183
  444   2HG1  ILE  59          HG11      ILE  59  83.628   5.523   3.815
  445   1HG2  ILE  59          HG21      ILE  59  80.482   7.840   2.275
  446   2HG2  ILE  59          HG23      ILE  59  82.187   8.274   2.160
  447   3HG2  ILE  59          HG22      ILE  59  81.481   7.149   0.999
  448   1HD1  ILE  59          HD12      ILE  59  83.379   4.690   1.470
  449   2HD1  ILE  59          HD11      ILE  59  83.670   6.329   0.889
  450   3HD1  ILE  59          HD13      ILE  59  84.940   5.462   1.754
  451    H    ASN  60           HN       ASN  60  79.741   8.677   4.418
  452    HA   ASN  60           HA       ASN  60  77.270   7.036   4.029
  453   1HB   ASN  60          2HB       ASN  60  77.662   7.693   6.445
  454   2HB   ASN  60          3HB       ASN  60  77.433   9.369   5.945
  455   1HD2  ASN  60          HD22      ASN  60  74.025   8.545   6.819
  456   2HD2  ASN  60          HD21      ASN  60  75.463   9.170   7.472
  457    H    LYS  61           HN       LYS  61  75.609   7.996   2.842
  458    HA   LYS  61           HA       LYS  61  76.371  10.433   1.321
  459   1HB   LYS  61          2HB       LYS  61  75.567   8.350   0.131
  460   2HB   LYS  61          3HB       LYS  61  73.992   8.591   0.890
  461   1HG   LYS  61          2HG       LYS  61  73.787  10.793  -0.181
  462   2HG   LYS  61          3HG       LYS  61  75.383  10.602  -0.908
  463   1HD   LYS  61          2HD       LYS  61  74.563   8.554  -2.084
  464   2HD   LYS  61          3HD       LYS  61  72.954   8.860  -1.434
  465   1HE   LYS  61          2HE       LYS  61  74.477  10.380  -3.517
  466   2HE   LYS  61          3HE       LYS  61  72.778   9.901  -3.500
  467   1HZ   LYS  61           HZ2      LYS  61  72.564  11.507  -1.563
  468   2HZ   LYS  61           HZ1      LYS  61  74.080  12.117  -2.033
  469   3HZ   LYS  61           HZ3      LYS  61  72.770  12.188  -3.109
  470    H    THR  62           HN       THR  62  75.898  12.111   2.752
  471    HA   THR  62           HA       THR  62  73.025  12.652   3.195
  472    HB   THR  62           HB       THR  62  73.523  13.196   5.625
  473    HG1  THR  62           HG1      THR  62  75.415  12.616   6.438
  474   1HG2  THR  62          HG23      THR  62  72.460  11.033   4.717
  475   2HG2  THR  62          HG22      THR  62  74.032  10.289   5.003
  476   3HG2  THR  62          HG21      THR  62  73.124  10.978   6.349
  477    H    ALA  63           HN       ALA  63  74.230  14.651   5.305
  478    HA   ALA  63           HA       ALA  63  74.271  16.951   3.662
  479   1HB   ALA  63           HB2      ALA  63  75.274  16.337   6.423
  480   2HB   ALA  63           HB1      ALA  63  75.756  17.857   5.670
  481   3HB   ALA  63           HB3      ALA  63  74.049  17.495   5.915
  482    H    THR  64           HN       THR  64  76.801  14.695   4.561
  483    HA   THR  64           HA       THR  64  78.827  16.299   3.165
  484    HB   THR  64           HB       THR  64  80.383  14.684   4.056
  485    HG1  THR  64           HG1      THR  64  78.119  13.311   5.028
  486   1HG2  THR  64          HG21      THR  64  79.529  16.441   5.579
  487   2HG2  THR  64          HG23      THR  64  78.269  15.331   6.110
  488   3HG2  THR  64          HG22      THR  64  79.962  14.970   6.445
  489    H    GLY  65           HN       GLY  65  76.477  14.096   2.327
  490   1HA   GLY  65          2HA       GLY  65  76.176  12.693   0.467
  491   2HA   GLY  65          3HA       GLY  65  77.349  13.737  -0.332
  492    H    TYR  66           HN       TYR  66  78.790  12.475   2.405
  493    HA   TYR  66           HA       TYR  66  79.532   9.877   1.304
  494   1HB   TYR  66          2HB       TYR  66  81.612  12.092   1.392
  495   2HB   TYR  66          3HB       TYR  66  81.935  10.391   1.036
  496    HD1  TYR  66           HD1      TYR  66  80.777   9.317  -0.933
  497    HD2  TYR  66           HD2      TYR  66  80.844  13.559  -0.312
  498    HE1  TYR  66           HE1      TYR  66  80.168   9.670  -3.309
  499    HE2  TYR  66           HE2      TYR  66  80.229  13.918  -2.688
  500    HH   TYR  66           HH       TYR  66  79.851  12.954  -4.658
  501    H    GLY  67           HN       GLY  67  78.891  11.787   3.838
  502   1HA   GLY  67          2HA       GLY  67  79.335  11.655   6.144
  503   2HA   GLY  67          3HA       GLY  67  79.688   9.952   5.836
  504    H    PHE  68           HN       PHE  68  81.864   9.317   5.463
  505    HA   PHE  68           HA       PHE  68  83.892  10.910   6.737
  506   1HB   PHE  68          2HB       PHE  68  84.275   8.556   6.687
  507   2HB   PHE  68          3HB       PHE  68  83.989   8.461   4.951
  508    HD1  PHE  68           HD1      PHE  68  86.098  10.824   6.973
  509    HD2  PHE  68           HD2      PHE  68  85.992   7.759   3.960
  510    HE1  PHE  68           HE1      PHE  68  88.524  11.142   6.555
  511    HE2  PHE  68           HE2      PHE  68  88.413   8.077   3.549
  512    HZ   PHE  68           HZ       PHE  68  89.686   9.763   4.840
  513    H    ALA  69           HN       ALA  69  84.719  12.749   5.884
  514    HA   ALA  69           HA       ALA  69  85.889  12.941   3.294
  515   1HB   ALA  69           HB3      ALA  69  82.987  13.609   3.500
  516   2HB   ALA  69           HB2      ALA  69  84.004  14.644   2.501
  517   3HB   ALA  69           HB1      ALA  69  83.887  12.919   2.152
  518    H    GLU  70           HN       GLU  70  86.094  13.818   6.167
  519    HA   GLU  70           HA       GLU  70  86.846  15.711   7.329
  520   1HB   GLU  70          2HB       GLU  70  87.438  16.577   4.478
  521   2HB   GLU  70          3HB       GLU  70  88.000  17.440   5.911
  522   1HG   GLU  70          2HG       GLU  70  89.212  15.443   6.666
  523   2HG   GLU  70          3HG       GLU  70  88.625  14.545   5.266
  524    HA   PRO  71           HA       PRO  71  83.491  18.510   7.823
  525   1HB   PRO  71          2HB       PRO  71  85.554  20.681   7.671
  526   2HB   PRO  71          3HB       PRO  71  84.276  20.422   8.878
  527   1HG   PRO  71          2HG       PRO  71  86.830  19.801   9.370
  528   2HG   PRO  71          3HG       PRO  71  85.486  18.857  10.024
  529   1HD   PRO  71          2HD       PRO  71  87.412  18.123   7.901
  530   2HD   PRO  71          3HD       PRO  71  86.416  17.079   8.937
  531    H    TYR  72           HN       TYR  72  85.773  18.929   5.220
  532    HA   TYR  72           HA       TYR  72  83.763  20.505   3.693
  533   1HB   TYR  72          2HB       TYR  72  86.751  20.172   3.256
  534   2HB   TYR  72          3HB       TYR  72  85.675  21.115   2.223
  535    HD1  TYR  72           HD2      TYR  72  84.488  23.106   3.141
  536    HD2  TYR  72           HD1      TYR  72  87.508  21.025   5.373
  537    HE1  TYR  72           HE2      TYR  72  84.674  25.035   4.684
  538    HE2  TYR  72           HE1      TYR  72  87.695  22.957   6.920
  539    HH   TYR  72           HH       TYR  72  86.216  25.999   6.240
  540    H    ASN  73           HN       ASN  73  82.888  19.495   1.913
  541    HA   ASN  73           HA       ASN  73  83.532  16.662   1.512
  542   1HB   ASN  73          2HB       ASN  73  81.567  18.502   0.115
  543   2HB   ASN  73          3HB       ASN  73  81.720  16.774  -0.214
  544   1HD2  ASN  73          HD22      ASN  73  80.893  16.393   3.524
  545   2HD2  ASN  73          HD21      ASN  73  82.399  16.350   2.744
  546    H    LEU  74           HN       LEU  74  85.373  16.264   0.420
  547    HA   LEU  74           HA       LEU  74  85.911  17.904  -2.027
  548   1HB   LEU  74          2HB       LEU  74  87.789  16.311  -0.253
  549   2HB   LEU  74          3HB       LEU  74  88.275  17.103  -1.753
  550    HG   LEU  74           HG       LEU  74  86.944  18.595   0.525
  551   1HD1  LEU  74          HD13      LEU  74  89.795  17.819   0.077
  552   2HD1  LEU  74          HD12      LEU  74  89.466  19.442   0.689
  553   3HD1  LEU  74          HD11      LEU  74  88.915  18.033   1.591
  554   1HD2  LEU  74          HD21      LEU  74  88.293  19.322  -2.062
  555   2HD2  LEU  74          HD23      LEU  74  86.789  19.942  -1.382
  556   3HD2  LEU  74          HD22      LEU  74  88.339  20.455  -0.712
  557    H    TYR  75           HN       TYR  75  84.499  15.076  -1.213
  558    HA   TYR  75           HA       TYR  75  85.805  13.431  -3.318
  559   1HB   TYR  75          2HB       TYR  75  83.499  12.686  -1.496
  560   2HB   TYR  75          3HB       TYR  75  84.474  11.590  -2.471
  561    HD1  TYR  75           HD1      TYR  75  86.942  13.725  -1.535
  562    HD2  TYR  75           HD2      TYR  75  84.238  10.942   0.321
  563    HE1  TYR  75           HE1      TYR  75  88.504  13.475   0.357
  564    HE2  TYR  75           HE2      TYR  75  85.817  10.695   2.221
  565    HH   TYR  75           HH       TYR  75  87.843  11.228   3.029
  566    H    SER  76           HN       SER  76  84.892  13.109  -5.292
  567    HA   SER  76           HA       SER  76  82.394  14.579  -5.901
  568   1HB   SER  76          2HB       SER  76  83.026  14.207  -8.250
  569   2HB   SER  76          3HB       SER  76  84.360  14.920  -7.348
  570    HG   SER  76           HG       SER  76  84.810  13.006  -8.733
  571    H    SER  77           HN       SER  77  83.700  11.249  -6.296
  572    HA   SER  77           HA       SER  77  80.950  10.205  -6.114
  573   1HB   SER  77          2HB       SER  77  81.073   8.993  -8.252
  574   2HB   SER  77          3HB       SER  77  81.159  10.731  -8.513
  575    HG   SER  77           HG       SER  77  83.598  10.127  -8.205
  576    H    LEU  78           HN       LEU  78  80.967   7.763  -6.135
  577    HA   LEU  78           HA       LEU  78  82.946   6.754  -4.345
  578   1HB   LEU  78          2HB       LEU  78  80.953   5.336  -6.127
  579   2HB   LEU  78          3HB       LEU  78  81.966   4.500  -4.949
  580    HG   LEU  78           HG       LEU  78  80.050   6.757  -4.289
  581   1HD1  LEU  78          HD11      LEU  78  79.827   3.756  -4.185
  582   2HD1  LEU  78          HD13      LEU  78  78.905   4.761  -3.068
  583   3HD1  LEU  78          HD12      LEU  78  78.669   4.931  -4.808
  584   1HD2  LEU  78          HD23      LEU  78  82.131   5.264  -2.792
  585   2HD2  LEU  78          HD22      LEU  78  81.464   6.868  -2.492
  586   3HD2  LEU  78          HD21      LEU  78  80.586   5.435  -1.960
  587    H    LYS  79           HN       LYS  79  82.612   6.318  -7.894
  588    HA   LYS  79           HA       LYS  79  84.810   4.512  -8.177
  589   1HB   LYS  79          2HB       LYS  79  83.111   5.053  -9.957
  590   2HB   LYS  79          3HB       LYS  79  83.930   6.597 -10.198
  591   1HG   LYS  79          2HG       LYS  79  85.994   5.460 -10.818
  592   2HG   LYS  79          3HG       LYS  79  85.282   3.891 -10.434
  593   1HD   LYS  79          2HD       LYS  79  83.448   4.967 -12.198
  594   2HD   LYS  79          3HD       LYS  79  84.987   5.535 -12.849
  595   1HE   LYS  79          2HE       LYS  79  85.852   3.208 -12.776
  596   2HE   LYS  79          3HE       LYS  79  84.279   2.657 -12.196
  597   1HZ   LYS  79           HZ3      LYS  79  83.425   3.897 -14.282
  598   2HZ   LYS  79           HZ2      LYS  79  85.020   3.723 -14.837
  599   3HZ   LYS  79           HZ1      LYS  79  84.096   2.350 -14.453
  600    H    GLU  80           HN       GLU  80  84.640   8.041  -8.142
  601    HA   GLU  80           HA       GLU  80  87.468   8.408  -8.669
  602   1HB   GLU  80          2HB       GLU  80  85.245  10.168  -7.652
  603   2HB   GLU  80          3HB       GLU  80  86.919  10.731  -7.637
  604   1HG   GLU  80          2HG       GLU  80  85.732  11.394  -9.702
  605   2HG   GLU  80          3HG       GLU  80  87.095  10.325 -10.039
  606    H    LEU  81           HN       LEU  81  85.425   8.291  -5.801
  607    HA   LEU  81           HA       LEU  81  87.347   9.067  -3.885
  608   1HB   LEU  81          2HB       LEU  81  84.917   8.832  -3.487
  609   2HB   LEU  81          3HB       LEU  81  85.094   7.077  -3.569
  610    HG   LEU  81           HG       LEU  81  87.083   7.985  -1.770
  611   1HD1  LEU  81          HD13      LEU  81  84.361   9.219  -1.245
  612   2HD1  LEU  81          HD12      LEU  81  85.679   9.147  -0.075
  613   3HD1  LEU  81          HD11      LEU  81  85.865  10.088  -1.556
  614   1HD2  LEU  81          HD21      LEU  81  84.409   6.606  -1.369
  615   2HD2  LEU  81          HD23      LEU  81  85.982   5.836  -1.596
  616   3HD2  LEU  81          HD22      LEU  81  85.645   6.736  -0.117
  617    H    VAL  82           HN       VAL  82  86.476   5.761  -4.962
  618    HA   VAL  82           HA       VAL  82  88.372   4.435  -3.306
  619    HB   VAL  82           HB       VAL  82  86.479   3.418  -4.768
  620   1HG1  VAL  82          HG12      VAL  82  87.473   4.503  -6.841
  621   2HG1  VAL  82          HG11      VAL  82  88.724   3.271  -6.779
  622   3HG1  VAL  82          HG13      VAL  82  87.037   2.808  -6.997
  623   1HG2  VAL  82          HG22      VAL  82  88.469   2.230  -3.484
  624   2HG2  VAL  82          HG21      VAL  82  87.463   1.311  -4.609
  625   3HG2  VAL  82          HG23      VAL  82  89.046   1.899  -5.115
  626    H    LEU  83           HN       LEU  83  88.664   5.727  -6.634
  627    HA   LEU  83           HA       LEU  83  91.347   4.873  -7.088
  628   1HB   LEU  83          2HB       LEU  83  89.839   7.269  -8.158
  629   2HB   LEU  83          3HB       LEU  83  91.420   6.759  -8.744
  630    HG   LEU  83           HG       LEU  83  88.957   4.995  -8.721
  631   1HD1  LEU  83          HD11      LEU  83  90.299   6.584 -10.925
  632   2HD1  LEU  83          HD13      LEU  83  89.123   5.304 -11.221
  633   3HD1  LEU  83          HD12      LEU  83  88.642   6.758 -10.346
  634   1HD2  LEU  83          HD23      LEU  83  91.836   4.646  -9.413
  635   2HD2  LEU  83          HD22      LEU  83  90.688   3.489  -8.758
  636   3HD2  LEU  83          HD21      LEU  83  90.659   3.875 -10.475
  637    H    HIS  84           HN       HIS  84  90.141   7.977  -5.736
  638    HA   HIS  84           HA       HIS  84  92.698   9.208  -5.479
  639   1HB   HIS  84          2HB       HIS  84  90.510  10.377  -5.223
  640   2HB   HIS  84          3HB       HIS  84  90.291   9.565  -3.675
  641    HD1  HIS  84           HD1      HIS  84  92.704  11.965  -5.383
  642    HD2  HIS  84           HD2      HIS  84  91.574  10.812  -1.539
  643    HE1  HIS  84           HE1      HIS  84  93.855  13.561  -3.786
  644    H    TYR  85           HN       TYR  85  90.907   7.097  -3.244
  645    HA   TYR  85           HA       TYR  85  92.868   7.339  -1.141
  646   1HB   TYR  85          2HB       TYR  85  90.518   5.553  -1.650
  647   2HB   TYR  85          3HB       TYR  85  91.660   5.140  -0.374
  648    HD1  TYR  85           HD2      TYR  85  89.598   7.991  -1.652
  649    HD2  TYR  85           HD1      TYR  85  91.580   6.199   1.704
  650    HE1  TYR  85           HE2      TYR  85  88.648   9.732  -0.169
  651    HE2  TYR  85           HE1      TYR  85  90.638   7.945   3.191
  652    HH   TYR  85           HH       TYR  85  89.120  10.768   1.977
  653    H    GLN  86           HN       GLN  86  92.652   5.258  -3.968
  654    HA   GLN  86           HA       GLN  86  94.439   3.206  -3.021
  655   1HB   GLN  86          2HB       GLN  86  93.955   4.200  -5.861
  656   2HB   GLN  86          3HB       GLN  86  94.805   2.714  -5.442
  657   1HG   GLN  86          2HG       GLN  86  92.464   2.469  -4.019
  658   2HG   GLN  86          3HG       GLN  86  91.929   3.266  -5.494
  659   1HE2  GLN  86          HE22      GLN  86  93.778   0.369  -7.250
  660   2HE2  GLN  86          HE21      GLN  86  94.307   1.954  -6.972
  661    H    HIS  87           HN       HIS  87  94.972   6.389  -4.472
  662    HA   HIS  87           HA       HIS  87  97.896   5.881  -4.475
  663   1HB   HIS  87          2HB       HIS  87  96.264   8.209  -5.511
  664   2HB   HIS  87          3HB       HIS  87  98.023   8.116  -5.593
  665    HD1  HIS  87           HD1      HIS  87  98.687   5.452  -6.590
  666    HD2  HIS  87           HD2      HIS  87  95.259   7.404  -7.936
  667    HE1  HIS  87           HE1      HIS  87  98.063   4.368  -8.792
  668    H    THR  88           HN       THR  88  95.484   7.471  -2.529
  669    HA   THR  88           HA       THR  88  97.585   9.087  -1.157
  670    HB   THR  88           HB       THR  88  94.618   9.094  -0.538
  671    HG1  THR  88           HG1      THR  88  94.561   9.765  -2.562
  672   1HG2  THR  88          HG23      THR  88  96.323  10.127   1.039
  673   2HG2  THR  88          HG22      THR  88  96.713  11.260  -0.255
  674   3HG2  THR  88          HG21      THR  88  95.091  11.237   0.439
  675    H    SER  89           HN       SER  89  98.380   8.492   0.769
  676    HA   SER  89           HA       SER  89  97.660   5.918   1.896
  677   1HB   SER  89          2HB       SER  89  99.488   6.279   3.367
  678   2HB   SER  89          3HB       SER  89  99.957   7.044   1.852
  679    HG   SER  89           HG       SER  89  98.549   8.742   3.416
  680    H    LEU  90           HN       LEU  90  96.346   5.501   3.612
  681    HA   LEU  90           HA       LEU  90  94.428   7.425   4.480
  682   1HB   LEU  90          2HB       LEU  90  95.274   4.725   5.500
  683   2HB   LEU  90          3HB       LEU  90  94.096   5.689   6.390
  684    HG   LEU  90           HG       LEU  90  93.451   5.698   3.571
  685   1HD1  LEU  90          HD11      LEU  90  93.839   3.002   4.914
  686   2HD1  LEU  90          HD13      LEU  90  92.790   3.234   3.514
  687   3HD1  LEU  90          HD12      LEU  90  94.522   3.545   3.381
  688   1HD2  LEU  90          HD21      LEU  90  92.089   4.645   6.069
  689   2HD2  LEU  90          HD23      LEU  90  91.885   6.244   5.352
  690   3HD2  LEU  90          HD22      LEU  90  91.299   4.816   4.499
  691    H    VAL  91           HN       VAL  91  97.404   6.259   6.087
  692    HA   VAL  91           HA       VAL  91  98.271   6.972   8.233
  693    HB   VAL  91           HB       VAL  91  98.183   9.379   6.383
  694   1HG1  VAL  91          HG13      VAL  91  98.607   9.925   8.830
  695   2HG1  VAL  91          HG12      VAL  91 100.050   8.913   8.713
  696   3HG1  VAL  91          HG11      VAL  91  99.910  10.367   7.726
  697   1HG2  VAL  91          HG23      VAL  91 100.308   7.292   6.942
  698   2HG2  VAL  91          HG22      VAL  91  99.356   7.430   5.465
  699   3HG2  VAL  91          HG21      VAL  91 100.512   8.691   5.889
  700    H    GLN  92           HN       GLN  92  96.733  10.019   7.344
  701    HA   GLN  92           HA       GLN  92  94.949  11.176   8.346
  702   1HB   GLN  92          2HB       GLN  92  94.115   8.653   8.580
  703   2HB   GLN  92          3HB       GLN  92  94.439   8.964  10.287
  704   1HG   GLN  92          2HG       GLN  92  92.973  10.908  10.249
  705   2HG   GLN  92          3HG       GLN  92  92.719  10.717   8.514
  706   1HE2  GLN  92          HE22      GLN  92  89.935   9.004  10.408
  707   2HE2  GLN  92          HE21      GLN  92  90.550  10.584  10.443
  708    H    HIS  93           HN       HIS  93  94.287  11.747  10.791
  709    HA   HIS  93           HA       HIS  93  96.534  12.956  12.002
  710   1HB   HIS  93          2HB       HIS  93  94.129  13.558  12.435
  711   2HB   HIS  93          3HB       HIS  93  93.990  12.096  13.413
  712    HD1  HIS  93           HD1      HIS  93  96.193  15.222  13.267
  713    HD2  HIS  93           HD2      HIS  93  94.690  12.501  16.047
  714    HE1  HIS  93           HE1      HIS  93  96.881  16.076  15.550
  715    H    ASN  94           HN       ASN  94  94.987   9.811  12.659
  716    HA   ASN  94           HA       ASN  94  96.401   9.078  14.976
  717   1HB   ASN  94          2HB       ASN  94  94.623   7.690  13.746
  718   2HB   ASN  94          3HB       ASN  94  95.916   7.176  12.657
  719   1HD2  ASN  94          HD22      ASN  94  97.674   5.903  15.802
  720   2HD2  ASN  94          HD21      ASN  94  97.963   7.266  14.831
  721    H    ASP  95           HN       ASP  95  97.437   9.414  11.675
  722    HA   ASP  95           HA       ASP  95  99.574   9.436  10.736
  723   1HB   ASP  95          2HB       ASP  95 100.030  10.839  12.780
  724   2HB   ASP  95          3HB       ASP  95 100.562   9.372  13.596
  725    H    SER  96           HN       SER  96  98.199   6.838  11.587
  726    HA   SER  96           HA       SER  96 100.636   5.173  11.282
  727   1HB   SER  96          2HB       SER  96  98.410   4.641  13.277
  728   2HB   SER  96          3HB       SER  96  99.687   3.493  12.884
  729    HG   SER  96           HG       SER  96  99.741   5.711  14.479
  730    H    LEU  97           HN       LEU  97  97.999   6.087   9.778
  731    HA   LEU  97           HA       LEU  97  97.164   3.355   8.924
  732   1HB   LEU  97          2HB       LEU  97  95.959   6.073   8.275
  733   2HB   LEU  97          3HB       LEU  97  95.321   4.514   7.740
  734    HG   LEU  97           HG       LEU  97  95.737   5.240  10.648
  735   1HD1  LEU  97          HD11      LEU  97  93.388   5.605   8.811
  736   2HD1  LEU  97          HD13      LEU  97  93.120   5.244  10.516
  737   3HD1  LEU  97          HD12      LEU  97  94.013   6.690  10.053
  738   1HD2  LEU  97          HD22      LEU  97  94.937   2.833   9.165
  739   2HD2  LEU  97          HD21      LEU  97  95.483   2.993  10.835
  740   3HD2  LEU  97          HD23      LEU  97  93.791   3.280  10.430
  741    H    ASN  98           HN       ASN  98  99.699   3.883   8.205
  742    HA   ASN  98           HA       ASN  98  99.869   5.263   5.651
  743   1HB   ASN  98          2HB       ASN  98 102.182   4.481   5.632
  744   2HB   ASN  98          3HB       ASN  98 101.776   5.109   7.228
  745   1HD2  ASN  98          HD22      ASN  98 103.206   2.058   8.380
  746   2HD2  ASN  98          HD21      ASN  98 103.472   3.722   8.172
  747    H    VAL  99           HN       VAL  99  97.909   3.679   5.046
  748    HA   VAL  99           HA       VAL  99  99.155   1.554   3.369
  749    HB   VAL  99           HB       VAL  99  98.065   0.455   5.286
  750   1HG1  VAL  99          HG11      VAL  99  96.008   2.451   4.672
  751   2HG1  VAL  99          HG13      VAL  99  95.351   0.829   4.888
  752   3HG1  VAL  99          HG12      VAL  99  96.305   1.572   6.170
  753   1HG2  VAL  99          HG22      VAL  99  97.954  -0.483   2.914
  754   2HG2  VAL  99          HG21      VAL  99  96.727  -1.084   4.032
  755   3HG2  VAL  99          HG23      VAL  99  96.309   0.149   2.842
  756    H    THR 100           HN       THR 100  97.707   1.025   1.471
  757    HA   THR 100           HA       THR 100  95.954   3.363   0.785
  758    HB   THR 100           HB       THR 100  96.654   3.142  -1.543
  759    HG1  THR 100           HG1      THR 100  98.799   1.519  -0.905
  760   1HG2  THR 100          HG23      THR 100  98.974   3.379   0.392
  761   2HG2  THR 100          HG22      THR 100  98.980   3.953  -1.278
  762   3HG2  THR 100          HG21      THR 100  97.892   4.684  -0.098
  763    H    LEU 101           HN       LEU 101  94.480   2.853  -1.028
  764    HA   LEU 101           HA       LEU 101  93.223   0.197  -0.590
  765   1HB   LEU 101          2HB       LEU 101  92.260   2.809  -1.798
  766   2HB   LEU 101          3HB       LEU 101  91.300   1.330  -1.803
  767    HG   LEU 101           HG       LEU 101  91.673   1.229   0.703
  768   1HD1  LEU 101          HD13      LEU 101  93.168   3.656   0.021
  769   2HD1  LEU 101          HD12      LEU 101  92.035   3.885   1.355
  770   3HD1  LEU 101          HD11      LEU 101  93.273   2.635   1.452
  771   1HD2  LEU 101          HD22      LEU 101  89.819   2.717  -0.853
  772   2HD2  LEU 101          HD21      LEU 101  89.582   2.092   0.779
  773   3HD2  LEU 101          HD23      LEU 101  90.221   3.719   0.540
  774    H    ALA 102           HN       ALA 102  95.665   0.548  -2.147
  775    HA   ALA 102           HA       ALA 102  95.028   0.578  -4.976
  776   1HB   ALA 102           HB2      ALA 102  97.491  -0.135  -3.391
  777   2HB   ALA 102           HB1      ALA 102  97.434  -0.328  -5.144
  778   3HB   ALA 102           HB3      ALA 102  97.213   1.267  -4.423
  779    H    TYR 103           HN       TYR 103  94.818  -1.962  -2.619
  780    HA   TYR 103           HA       TYR 103  94.837  -3.939  -4.869
  781   1HB   TYR 103          2HB       TYR 103  95.354  -4.335  -1.915
  782   2HB   TYR 103          3HB       TYR 103  95.242  -5.647  -3.089
  783    HD1  TYR 103           HD1      TYR 103  96.948  -5.961  -4.798
  784    HD2  TYR 103           HD2      TYR 103  97.248  -2.773  -1.935
  785    HE1  TYR 103           HE1      TYR 103  99.325  -5.631  -5.420
  786    HE2  TYR 103           HE2      TYR 103  99.627  -2.439  -2.561
  787    HH   TYR 103           HH       TYR 103 101.027  -3.901  -5.331
  788    HA   PRO 104           HA       PRO 104  90.345  -3.980  -3.899
  789   1HB   PRO 104          2HB       PRO 104  90.327  -5.904  -6.148
  790   2HB   PRO 104          3HB       PRO 104  89.409  -4.403  -5.936
  791   1HG   PRO 104          2HG       PRO 104  91.414  -4.608  -7.698
  792   2HG   PRO 104          3HG       PRO 104  91.058  -3.101  -6.833
  793   1HD   PRO 104          2HD       PRO 104  93.261  -5.078  -6.345
  794   2HD   PRO 104          3HD       PRO 104  93.272  -3.306  -6.185
  795    H    VAL 105           HN       VAL 105  89.130  -5.572  -2.782
  796    HA   VAL 105           HA       VAL 105  90.592  -7.773  -1.671
  797    HB   VAL 105           HB       VAL 105  88.783  -6.733  -0.457
  798   1HG1  VAL 105          HG11      VAL 105  87.197  -7.583  -2.862
  799   2HG1  VAL 105          HG13      VAL 105  86.396  -7.459  -1.297
  800   3HG1  VAL 105          HG12      VAL 105  87.176  -6.046  -2.004
  801   1HG2  VAL 105          HG21      VAL 105  89.346  -9.313  -0.424
  802   2HG2  VAL 105          HG23      VAL 105  87.981  -8.679   0.499
  803   3HG2  VAL 105          HG22      VAL 105  87.708  -9.456  -1.063
  804    H    TYR 106           HN       TYR 106  88.403  -7.482  -4.424
  805    HA   TYR 106           HA       TYR 106  89.005 -10.348  -5.040
  806   1HB   TYR 106          2HB       TYR 106  86.455  -8.792  -5.324
  807   2HB   TYR 106          3HB       TYR 106  86.784 -10.142  -6.408
  808    HD1  TYR 106           HD1      TYR 106  87.622 -12.341  -5.276
  809    HD2  TYR 106           HD2      TYR 106  85.502  -9.218  -3.228
  810    HE1  TYR 106           HE1      TYR 106  86.983 -13.942  -3.495
  811    HE2  TYR 106           HE2      TYR 106  84.865 -10.818  -1.446
  812    HH   TYR 106           HH       TYR 106  85.866 -14.230  -1.599
  813    H    ALA 107           HN       ALA 107  90.794  -8.510  -5.907
  814    HA   ALA 107           HA       ALA 107  90.256  -7.269  -8.422
  815   1HB   ALA 107           HB2      ALA 107  92.297  -7.025  -6.826
  816   2HB   ALA 107           HB1      ALA 107  92.937  -8.426  -7.686
  817   3HB   ALA 107           HB3      ALA 107  92.587  -6.935  -8.564
  818    H    GLN 108           HN       GLN 108  90.400  -8.075 -10.531
  819    HA   GLN 108           HA       GLN 108  89.951 -10.834 -10.992
  820   1HB   GLN 108          2HB       GLN 108  89.490  -8.943 -12.598
  821   2HB   GLN 108          3HB       GLN 108  91.220  -8.884 -12.929
  822   1HG   GLN 108          2HG       GLN 108  91.148 -11.274 -13.613
  823   2HG   GLN 108          3HG       GLN 108  89.404 -11.276 -13.350
  824   1HE2  GLN 108          HE22      GLN 108  90.692 -10.147 -16.897
  825   2HE2  GLN 108          HE21      GLN 108  91.525 -11.153 -15.814
  826    H    GLN 109           HN       GLN 109  91.342 -12.539 -11.232
  827    HA   GLN 109           HA       GLN 109  94.154 -12.111 -10.546
  828   1HB   GLN 109          2HB       GLN 109  92.620 -14.624 -11.287
  829   2HB   GLN 109          3HB       GLN 109  94.298 -14.601 -10.747
  830   1HG   GLN 109          2HG       GLN 109  93.398 -14.862  -8.674
  831   2HG   GLN 109          3HG       GLN 109  93.086 -13.126  -8.780
  832   1HE2  GLN 109          HE22      GLN 109  89.672 -13.915  -8.246
  833   2HE2  GLN 109          HE21      GLN 109  91.045 -13.105  -7.664
  834    H    ARG 110           HN       ARG 110  95.907 -12.465 -11.953
  835    HA   ARG 110           HA       ARG 110  95.180 -12.712 -14.844
  836   1HB   ARG 110          2HB       ARG 110  97.284 -10.950 -13.550
  837   2HB   ARG 110          3HB       ARG 110  97.155 -11.217 -15.287
  838   1HG   ARG 110          2HG       ARG 110  94.948 -10.238 -15.352
  839   2HG   ARG 110          3HG       ARG 110  94.874 -10.159 -13.592
  840   1HD   ARG 110          2HD       ARG 110  96.792  -8.620 -15.365
  841   2HD   ARG 110          3HD       ARG 110  95.408  -7.953 -14.501
  842    HE   ARG 110           HE       ARG 110  96.926  -9.166 -12.518
  843   1HH1  ARG 110          HH21      ARG 110  97.444  -6.820 -14.998
  844   2HH1  ARG 110          HH22      ARG 110  98.669  -5.971 -14.117
  845   1HH2  ARG 110          HH11      ARG 110  98.516  -8.062 -11.358
  846   2HH2  ARG 110          HH12      ARG 110  99.269  -6.667 -12.056
  847    H    ARG 111           HN       ARG 111  96.853 -13.732 -16.174
  848    HA   ARG 111           HA       ARG 111  98.454 -15.692 -14.597
  849   1HB   ARG 111          2HB       ARG 111  97.514 -15.658 -17.477
  850   2HB   ARG 111          3HB       ARG 111  98.676 -16.838 -16.870
  851   1HG   ARG 111          2HG       ARG 111  96.997 -17.418 -15.062
  852   2HG   ARG 111          3HG       ARG 111  95.827 -16.418 -15.923
  853   1HD   ARG 111          2HD       ARG 111  96.231 -17.828 -17.971
  854   2HD   ARG 111          3HD       ARG 111  97.238 -18.884 -16.984
  855    HE   ARG 111           HE       ARG 111  94.858 -18.793 -15.590
  856   1HH1  ARG 111          HH21      ARG 111  95.813 -19.409 -18.846
  857   2HH1  ARG 111          HH22      ARG 111  94.532 -20.538 -19.151
  858   1HH2  ARG 111          HH11      ARG 111  93.202 -20.277 -15.948
  859   2HH2  ARG 111          HH12      ARG 111  93.042 -21.026 -17.503
   
  No H/Q in entry =         859
  Start of MODEL   24
    1   1H    GLU   1           HT2      GLU   1  96.192  -3.537 -18.429
    2   2H    GLU   1           HT1      GLU   1  97.097  -2.420 -19.335
    3   3H    GLU   1           HT3      GLU   1  97.872  -3.724 -18.582
    4    HA   GLU   1           HA       GLU   1  97.774  -2.807 -16.507
    5   1HB   GLU   1          2HB       GLU   1  99.027  -1.344 -18.225
    6   2HB   GLU   1          3HB       GLU   1  97.626  -0.276 -18.150
    7   1HG   GLU   1          2HG       GLU   1  97.913  -0.008 -15.734
    8   2HG   GLU   1          3HG       GLU   1  99.259  -1.148 -15.743
    9    H    ASP   2           HN       ASP   2  94.997  -3.288 -17.485
   10    HA   ASP   2           HA       ASP   2  93.372  -0.991 -16.905
   11   1HB   ASP   2          2HB       ASP   2  91.503  -2.564 -16.834
   12   2HB   ASP   2          3HB       ASP   2  92.566  -2.980 -18.174
   13    H    LEU   3           HN       LEU   3  92.180  -0.527 -14.973
   14    HA   LEU   3           HA       LEU   3  93.491  -1.592 -12.520
   15   1HB   LEU   3          2HB       LEU   3  91.825   0.900 -12.960
   16   2HB   LEU   3          3HB       LEU   3  92.529   0.413 -11.417
   17    HG   LEU   3           HG       LEU   3  94.170   0.822 -13.924
   18   1HD1  LEU   3          HD13      LEU   3  92.860   2.835 -12.601
   19   2HD1  LEU   3          HD12      LEU   3  94.395   2.776 -11.732
   20   3HD1  LEU   3          HD11      LEU   3  94.380   3.038 -13.475
   21   1HD2  LEU   3          HD21      LEU   3  94.673  -0.013 -11.137
   22   2HD2  LEU   3          HD23      LEU   3  95.629  -0.311 -12.587
   23   3HD2  LEU   3          HD22      LEU   3  95.774   1.226 -11.738
   24    HA   PRO   4           HA       PRO   4  89.664  -3.919 -12.023
   25   1HB   PRO   4          2HB       PRO   4  90.521  -4.280  -9.233
   26   2HB   PRO   4          3HB       PRO   4  90.217  -5.497 -10.484
   27   1HG   PRO   4          2HG       PRO   4  92.682  -4.809  -9.560
   28   2HG   PRO   4          3HG       PRO   4  92.365  -5.530 -11.143
   29   1HD   PRO   4          2HD       PRO   4  93.131  -2.752 -10.477
   30   2HD   PRO   4          3HD       PRO   4  93.301  -3.642 -12.007
   31    H    HIS   5           HN       HIS   5  90.642  -1.064 -10.464
   32    HA   HIS   5           HA       HIS   5  88.597  -0.734  -8.500
   33   1HB   HIS   5          2HB       HIS   5  90.015   1.321 -10.230
   34   2HB   HIS   5          3HB       HIS   5  88.995   1.723  -8.844
   35    HD1  HIS   5           HD1      HIS   5  89.795  -0.068  -6.672
   36    HD2  HIS   5           HD2      HIS   5  92.636   1.355  -9.375
   37    HE1  HIS   5           HE1      HIS   5  92.045  -0.297  -5.534
   38    H    HIS   6           HN       HIS   6  88.617  -0.455 -11.976
   39    HA   HIS   6           HA       HIS   6  86.123   0.960 -12.253
   40   1HB   HIS   6          2HB       HIS   6  87.614  -0.907 -14.126
   41   2HB   HIS   6          3HB       HIS   6  86.164  -0.002 -14.586
   42    HD1  HIS   6           HD1      HIS   6  86.499   2.733 -13.711
   43    HD2  HIS   6           HD2      HIS   6  89.829   0.520 -14.882
   44    HE1  HIS   6           HE1      HIS   6  88.285   4.410 -14.344
   45    H    ASP   7           HN       ASP   7  87.002  -2.314 -11.533
   46    HA   ASP   7           HA       ASP   7  84.314  -3.323 -12.173
   47   1HB   ASP   7          2HB       ASP   7  86.739  -4.710 -10.993
   48   2HB   ASP   7          3HB       ASP   7  85.214  -5.512 -11.370
   49    H    GLU   8           HN       GLU   8  82.715  -3.170 -10.713
   50    HA   GLU   8           HA       GLU   8  83.131  -2.220  -8.037
   51   1HB   GLU   8          2HB       GLU   8  81.054  -1.900  -9.395
   52   2HB   GLU   8          3HB       GLU   8  80.707  -3.617  -9.200
   53   1HG   GLU   8          2HG       GLU   8  80.396  -3.412  -6.884
   54   2HG   GLU   8          3HG       GLU   8  81.212  -1.851  -6.822
   55    H    LYS   9           HN       LYS   9  82.831  -5.416  -9.435
   56    HA   LYS   9           HA       LYS   9  82.261  -6.871  -7.055
   57   1HB   LYS   9          2HB       LYS   9  83.604  -7.563  -9.658
   58   2HB   LYS   9          3HB       LYS   9  83.482  -8.753  -8.363
   59   1HG   LYS   9          2HG       LYS   9  81.432  -9.237  -9.139
   60   2HG   LYS   9          3HG       LYS   9  80.913  -7.664  -8.542
   61   1HD   LYS   9          2HD       LYS   9  82.138  -8.072 -11.285
   62   2HD   LYS   9          3HD       LYS   9  80.402  -8.105 -10.995
   63   1HE   LYS   9          2HE       LYS   9  80.979  -5.782  -9.767
   64   2HE   LYS   9          3HE       LYS   9  82.292  -5.802 -10.944
   65   1HZ   LYS   9           HZ3      LYS   9  80.043  -6.589 -12.329
   66   2HZ   LYS   9           HZ2      LYS   9  79.529  -5.290 -11.360
   67   3HZ   LYS   9           HZ1      LYS   9  80.827  -5.089 -12.435
   68    H    THR  10           HN       THR  10  85.307  -5.680  -8.348
   69    HA   THR  10           HA       THR  10  86.973  -7.343  -6.748
   70    HB   THR  10           HB       THR  10  88.292  -4.882  -7.232
   71    HG1  THR  10           HG1      THR  10  86.694  -5.809  -9.362
   72   1HG2  THR  10          HG23      THR  10  88.986  -7.409  -7.446
   73   2HG2  THR  10          HG22      THR  10  88.443  -7.196  -9.110
   74   3HG2  THR  10          HG21      THR  10  89.738  -6.190  -8.469
   75    H    TRP  11           HN       TRP  11  85.358  -4.312  -5.969
   76    HA   TRP  11           HA       TRP  11  86.620  -4.509  -3.259
   77   1HB   TRP  11          2HB       TRP  11  85.878  -1.926  -3.306
   78   2HB   TRP  11          3HB       TRP  11  87.456  -2.464  -3.876
   79    HD1  TRP  11           HD1      TRP  11  87.482  -3.142  -6.576
   80    HE1  TRP  11           HE1      TRP  11  86.414  -1.892  -8.542
   81    HE3  TRP  11           HE3      TRP  11  84.040  -0.401  -4.049
   82    HZ2  TRP  11           HZ2      TRP  11  84.376   0.064  -8.981
   83    HZ3  TRP  11           HZ3      TRP  11  82.539   1.157  -5.261
   84    HH2  TRP  11           HH2      TRP  11  82.705   1.392  -7.725
   85    H    ASN  12           HN       ASN  12  83.728  -4.676  -4.985
   86    HA   ASN  12           HA       ASN  12  82.101  -3.724  -2.694
   87   1HB   ASN  12          2HB       ASN  12  81.559  -3.045  -5.045
   88   2HB   ASN  12          3HB       ASN  12  81.177  -4.734  -5.381
   89   1HD2  ASN  12          HD22      ASN  12  78.742  -2.810  -2.680
   90   2HD2  ASN  12          HD21      ASN  12  80.400  -2.457  -2.680
   91    H    VAL  13           HN       VAL  13  81.539  -5.182  -1.184
   92    HA   VAL  13           HA       VAL  13  80.770  -7.927  -2.036
   93    HB   VAL  13           HB       VAL  13  81.987  -8.772   0.037
   94   1HG1  VAL  13          HG12      VAL  13  82.845  -8.439  -2.566
   95   2HG1  VAL  13          HG11      VAL  13  84.151  -7.696  -1.639
   96   3HG1  VAL  13          HG13      VAL  13  83.692  -9.371  -1.332
   97   1HG2  VAL  13          HG23      VAL  13  83.056  -5.952  -0.148
   98   2HG2  VAL  13          HG22      VAL  13  82.366  -6.766   1.255
   99   3HG2  VAL  13          HG21      VAL  13  83.951  -7.243   0.652
  100    H    GLY  14           HN       GLY  14  79.364  -5.456  -1.120
  101   1HA   GLY  14          2HA       GLY  14  78.482  -5.331   1.478
  102   2HA   GLY  14          3HA       GLY  14  77.380  -5.131   0.116
  103    H    SER  15           HN       SER  15  77.792  -7.891  -0.826
  104    HA   SER  15           HA       SER  15  75.648  -9.165   0.546
  105   1HB   SER  15          2HB       SER  15  76.452  -9.740  -1.766
  106   2HB   SER  15          3HB       SER  15  77.858 -10.514  -1.043
  107    HG   SER  15           HG       SER  15  76.090 -11.656   0.243
  108    H    SER  16           HN       SER  16  79.122  -9.266   0.994
  109    HA   SER  16           HA       SER  16  79.313 -11.460   2.786
  110   1HB   SER  16          2HB       SER  16  80.951  -8.927   2.561
  111   2HB   SER  16          3HB       SER  16  81.401 -10.300   3.562
  112    HG   SER  16           HG       SER  16  80.711 -10.833   0.918
  113    H    ASN  17           HN       ASN  17  79.108 -11.622   5.006
  114    HA   ASN  17           HA       ASN  17  77.467  -9.602   6.339
  115   1HB   ASN  17          2HB       ASN  17  77.231 -12.102   6.716
  116   2HB   ASN  17          3HB       ASN  17  78.755 -12.031   7.609
  117   1HD2  ASN  17          HD22      ASN  17  76.745 -11.328  10.448
  118   2HD2  ASN  17          HD21      ASN  17  77.750 -12.470   9.685
  119    H    ARG  18           HN       ARG  18  78.117  -8.712   8.472
  120    HA   ARG  18           HA       ARG  18  80.577  -7.326   8.306
  121   1HB   ARG  18          2HB       ARG  18  78.570  -6.755   9.772
  122   2HB   ARG  18          3HB       ARG  18  79.143  -8.002  10.884
  123   1HG   ARG  18          2HG       ARG  18  81.275  -6.856  11.130
  124   2HG   ARG  18          3HG       ARG  18  80.789  -5.642   9.944
  125   1HD   ARG  18          2HD       ARG  18  80.234  -4.520  11.888
  126   2HD   ARG  18          3HD       ARG  18  78.718  -5.375  11.598
  127    HE   ARG  18           HE       ARG  18  80.100  -7.159  13.147
  128   1HH1  ARG  18          HH21      ARG  18  79.466  -3.767  13.366
  129   2HH1  ARG  18          HH22      ARG  18  79.345  -3.773  15.094
  130   1HH2  ARG  18          HH11      ARG  18  79.964  -7.156  15.407
  131   2HH2  ARG  18          HH12      ARG  18  79.660  -5.670  16.240
  132    H    ASN  19           HN       ASN  19  79.738 -10.298  10.114
  133    HA   ASN  19           HA       ASN  19  82.320 -10.667  11.290
  134   1HB   ASN  19          2HB       ASN  19  80.230 -11.901  11.939
  135   2HB   ASN  19          3HB       ASN  19  80.377 -12.838  10.450
  136   1HD2  ASN  19          HD22      ASN  19  83.830 -13.406  12.428
  137   2HD2  ASN  19          HD21      ASN  19  83.443 -11.957  11.633
  138    H    LYS  20           HN       LYS  20  80.938 -11.641   8.197
  139    HA   LYS  20           HA       LYS  20  83.134 -13.228   7.281
  140   1HB   LYS  20          2HB       LYS  20  80.876 -13.237   6.255
  141   2HB   LYS  20          3HB       LYS  20  81.149 -11.598   5.663
  142   1HG   LYS  20          2HG       LYS  20  81.747 -12.906   3.809
  143   2HG   LYS  20          3HG       LYS  20  83.306 -12.632   4.586
  144   1HD   LYS  20          2HD       LYS  20  83.398 -14.927   4.315
  145   2HD   LYS  20          3HD       LYS  20  82.644 -14.844   5.907
  146   1HE   LYS  20          2HE       LYS  20  80.404 -14.940   4.799
  147   2HE   LYS  20          3HE       LYS  20  81.219 -15.162   3.252
  148   1HZ   LYS  20           HZ1      LYS  20  81.903 -16.942   5.480
  149   2HZ   LYS  20           HZ3      LYS  20  80.446 -17.201   4.649
  150   3HZ   LYS  20           HZ2      LYS  20  81.921 -17.244   3.805
  151    H    ALA  21           HN       ALA  21  82.589  -9.783   7.411
  152    HA   ALA  21           HA       ALA  21  84.535  -8.938   5.498
  153   1HB   ALA  21           HB1      ALA  21  82.857  -7.742   7.485
  154   2HB   ALA  21           HB3      ALA  21  84.489  -7.110   7.690
  155   3HB   ALA  21           HB2      ALA  21  83.676  -6.959   6.133
  156    H    GLU  22           HN       GLU  22  84.829  -9.589   9.003
  157    HA   GLU  22           HA       GLU  22  87.589  -8.870   9.173
  158   1HB   GLU  22          2HB       GLU  22  85.981 -10.902  10.754
  159   2HB   GLU  22          3HB       GLU  22  87.639 -10.441  11.147
  160   1HG   GLU  22          2HG       GLU  22  86.969  -8.111  11.434
  161   2HG   GLU  22          3HG       GLU  22  85.322  -8.504  10.945
  162    H    ASN  23           HN       ASN  23  85.951 -11.907   8.338
  163    HA   ASN  23           HA       ASN  23  88.287 -13.507   8.068
  164   1HB   ASN  23          2HB       ASN  23  85.600 -13.638   6.674
  165   2HB   ASN  23          3HB       ASN  23  86.856 -14.856   6.469
  166   1HD2  ASN  23          HD22      ASN  23  86.473 -15.075  10.351
  167   2HD2  ASN  23          HD21      ASN  23  87.548 -14.085   9.486
  168    H    LEU  24           HN       LEU  24  86.558 -11.371   5.843
  169    HA   LEU  24           HA       LEU  24  88.268 -11.839   3.571
  170   1HB   LEU  24          2HB       LEU  24  86.434  -9.540   4.318
  171   2HB   LEU  24          3HB       LEU  24  87.304  -9.619   2.786
  172    HG   LEU  24           HG       LEU  24  85.523 -11.866   3.752
  173   1HD1  LEU  24          HD12      LEU  24  84.386  -9.535   3.361
  174   2HD1  LEU  24          HD11      LEU  24  84.720  -9.853   1.659
  175   3HD1  LEU  24          HD13      LEU  24  83.696 -10.957   2.575
  176   1HD2  LEU  24          HD23      LEU  24  87.310 -11.405   1.512
  177   2HD2  LEU  24          HD22      LEU  24  86.446 -12.879   1.950
  178   3HD2  LEU  24          HD21      LEU  24  85.665 -11.668   0.936
  179    H    LEU  25           HN       LEU  25  88.437  -9.778   6.405
  180    HA   LEU  25           HA       LEU  25  90.763  -8.288   5.321
  181   1HB   LEU  25          2HB       LEU  25  89.353  -8.215   8.012
  182   2HB   LEU  25          3HB       LEU  25  90.733  -7.201   7.595
  183    HG   LEU  25           HG       LEU  25  88.464  -7.190   5.677
  184   1HD1  LEU  25          HD11      LEU  25  88.256  -6.371   8.536
  185   2HD1  LEU  25          HD13      LEU  25  87.612  -5.245   7.342
  186   3HD1  LEU  25          HD12      LEU  25  86.990  -6.893   7.424
  187   1HD2  LEU  25          HD22      LEU  25  90.395  -5.186   6.874
  188   2HD2  LEU  25          HD21      LEU  25  90.307  -5.752   5.203
  189   3HD2  LEU  25          HD23      LEU  25  89.045  -4.700   5.846
  190    H    ARG  26           HN       ARG  26  90.112 -11.157   7.047
  191    HA   ARG  26           HA       ARG  26  92.681 -11.221   8.478
  192   1HB   ARG  26          2HB       ARG  26  90.146 -12.639   8.569
  193   2HB   ARG  26          3HB       ARG  26  91.508 -13.761   8.591
  194   1HG   ARG  26          2HG       ARG  26  92.524 -12.348  10.422
  195   2HG   ARG  26          3HG       ARG  26  91.017 -11.434  10.468
  196   1HD   ARG  26          2HD       ARG  26  91.091 -13.243  12.189
  197   2HD   ARG  26          3HD       ARG  26  89.765 -13.455  11.047
  198    HE   ARG  26           HE       ARG  26  91.830 -14.934   9.937
  199   1HH1  ARG  26          HH21      ARG  26  90.260 -14.749  12.997
  200   2HH1  ARG  26          HH22      ARG  26  90.504 -16.423  13.376
  201   1HH2  ARG  26          HH11      ARG  26  92.115 -17.132  10.382
  202   2HH2  ARG  26          HH12      ARG  26  91.534 -17.784  11.877
  203    H    GLY  27           HN       GLY  27  94.523 -12.161   7.688
  204   1HA   GLY  27          2HA       GLY  27  95.849 -13.690   6.443
  205   2HA   GLY  27          3HA       GLY  27  94.375 -14.332   5.721
  206    H    LYS  28           HN       LYS  28  94.225 -11.018   5.480
  207    HA   LYS  28           HA       LYS  28  95.166 -11.152   2.662
  208   1HB   LYS  28          2HB       LYS  28  93.272  -9.256   4.064
  209   2HB   LYS  28          3HB       LYS  28  93.721  -9.137   2.359
  210   1HG   LYS  28          2HG       LYS  28  93.030 -11.751   2.491
  211   2HG   LYS  28          3HG       LYS  28  91.957 -11.092   3.720
  212   1HD   LYS  28          2HD       LYS  28  90.646 -10.784   1.827
  213   2HD   LYS  28          3HD       LYS  28  91.521  -9.249   1.850
  214   1HE   LYS  28          2HE       LYS  28  93.221 -10.209   0.339
  215   2HE   LYS  28          3HE       LYS  28  92.318 -11.721   0.295
  216   1HZ   LYS  28           HZ3      LYS  28  90.968  -9.201  -0.400
  217   2HZ   LYS  28           HZ2      LYS  28  91.968  -9.963  -1.547
  218   3HZ   LYS  28           HZ1      LYS  28  90.626 -10.784  -0.911
  219    H    ARG  29           HN       ARG  29  96.872  -9.995   2.024
  220    HA   ARG  29           HA       ARG  29  98.626  -8.731   3.868
  221   1HB   ARG  29          2HB       ARG  29  99.299  -9.653   1.633
  222   2HB   ARG  29          3HB       ARG  29  98.514  -8.266   0.872
  223   1HG   ARG  29          2HG       ARG  29  99.989  -6.748   2.179
  224   2HG   ARG  29          3HG       ARG  29 100.827  -8.152   2.840
  225   1HD   ARG  29          2HD       ARG  29 100.860  -8.650   0.126
  226   2HD   ARG  29          3HD       ARG  29 101.063  -6.901   0.191
  227    HE   ARG  29           HE       ARG  29 103.156  -8.653   0.626
  228   1HH1  ARG  29          HH21      ARG  29 101.488  -6.329   2.590
  229   2HH1  ARG  29          HH22      ARG  29 102.848  -6.051   3.622
  230   1HH2  ARG  29          HH11      ARG  29 104.924  -8.256   1.958
  231   2HH2  ARG  29          HH12      ARG  29 104.772  -7.147   3.280
  232    H    ASP  30           HN       ASP  30  99.072  -6.543   4.283
  233    HA   ASP  30           HA       ASP  30  96.945  -4.733   4.575
  234   1HB   ASP  30          2HB       ASP  30  99.865  -4.065   4.060
  235   2HB   ASP  30          3HB       ASP  30  98.677  -3.002   4.816
  236    H    GLY  31           HN       GLY  31  96.267  -2.896   3.251
  237   1HA   GLY  31          2HA       GLY  31  96.424  -1.547   1.207
  238   2HA   GLY  31          3HA       GLY  31  97.268  -2.886   0.433
  239    H    THR  32           HN       THR  32  95.486  -4.961   1.302
  240    HA   THR  32           HA       THR  32  93.471  -4.783  -0.753
  241    HB   THR  32           HB       THR  32  93.691  -6.706   1.589
  242    HG1  THR  32           HG1      THR  32  95.200  -7.626   0.474
  243   1HG2  THR  32          HG22      THR  32  91.958  -6.562  -0.840
  244   2HG2  THR  32          HG21      THR  32  92.547  -8.151  -0.348
  245   3HG2  THR  32          HG23      THR  32  91.584  -7.183   0.769
  246    H    PHE  33           HN       PHE  33  91.461  -3.891  -0.623
  247    HA   PHE  33           HA       PHE  33  90.259  -3.623   2.071
  248   1HB   PHE  33          2HB       PHE  33  90.092  -1.356   2.055
  249   2HB   PHE  33          3HB       PHE  33  91.471  -1.455   0.964
  250    HD1  PHE  33           HD1      PHE  33  90.958  -1.607  -1.580
  251    HD2  PHE  33           HD2      PHE  33  88.073  -0.387   1.352
  252    HE1  PHE  33           HE1      PHE  33  89.585  -0.536  -3.345
  253    HE2  PHE  33           HE2      PHE  33  86.723   0.677  -0.450
  254    HZ   PHE  33           HZ       PHE  33  87.479   0.588  -2.773
  255    H    LEU  34           HN       LEU  34  87.951  -3.138   1.979
  256    HA   LEU  34           HA       LEU  34  86.685  -3.926  -0.603
  257   1HB   LEU  34          2HB       LEU  34  85.212  -5.496   0.547
  258   2HB   LEU  34          3HB       LEU  34  86.886  -5.944   0.847
  259    HG   LEU  34           HG       LEU  34  86.047  -4.059   2.855
  260   1HD1  LEU  34          HD13      LEU  34  83.779  -5.050   2.169
  261   2HD1  LEU  34          HD12      LEU  34  84.381  -6.580   2.816
  262   3HD1  LEU  34          HD11      LEU  34  84.213  -5.181   3.876
  263   1HD2  LEU  34          HD21      LEU  34  86.805  -6.992   2.856
  264   2HD2  LEU  34          HD23      LEU  34  87.866  -5.621   3.170
  265   3HD2  LEU  34          HD22      LEU  34  86.598  -6.039   4.325
  266    H    VAL  35           HN       VAL  35  84.338  -3.441  -0.630
  267    HA   VAL  35           HA       VAL  35  83.708  -1.152   1.179
  268    HB   VAL  35           HB       VAL  35  82.903  -1.565  -1.721
  269   1HG1  VAL  35          HG12      VAL  35  81.805   0.128   0.445
  270   2HG1  VAL  35          HG11      VAL  35  82.168   0.987  -1.052
  271   3HG1  VAL  35          HG13      VAL  35  81.059  -0.386  -1.067
  272   1HG2  VAL  35          HG22      VAL  35  85.218  -0.751  -1.345
  273   2HG2  VAL  35          HG21      VAL  35  84.209   0.499  -2.067
  274   3HG2  VAL  35          HG23      VAL  35  84.579   0.556  -0.347
  275    H    ARG  36           HN       ARG  36  81.879  -1.369   2.354
  276    HA   ARG  36           HA       ARG  36  79.887  -3.420   1.513
  277   1HB   ARG  36          2HB       ARG  36  79.717  -4.174   3.869
  278   2HB   ARG  36          3HB       ARG  36  81.334  -4.445   3.221
  279   1HG   ARG  36          2HG       ARG  36  82.263  -2.667   4.441
  280   2HG   ARG  36          3HG       ARG  36  80.699  -1.881   4.670
  281   1HD   ARG  36          2HD       ARG  36  81.382  -4.572   5.866
  282   2HD   ARG  36          3HD       ARG  36  81.624  -3.050   6.727
  283    HE   ARG  36           HE       ARG  36  78.990  -2.902   5.938
  284   1HH1  ARG  36          HH21      ARG  36  80.938  -5.276   7.488
  285   2HH1  ARG  36          HH22      ARG  36  79.658  -5.861   8.496
  286   1HH2  ARG  36          HH11      ARG  36  77.307  -3.648   7.221
  287   2HH2  ARG  36          HH12      ARG  36  77.586  -4.951   8.331
  288    H    GLU  37           HN       GLU  37  77.953  -3.156   3.352
  289    HA   GLU  37           HA       GLU  37  77.242  -0.279   3.136
  290   1HB   GLU  37          2HB       GLU  37  74.937  -1.096   3.639
  291   2HB   GLU  37          3HB       GLU  37  75.610  -1.864   2.202
  292   1HG   GLU  37          2HG       GLU  37  76.001  -3.894   3.327
  293   2HG   GLU  37          3HG       GLU  37  75.918  -3.132   4.914
  294    H    SER  38           HN       SER  38  76.010   0.576   5.109
  295    HA   SER  38           HA       SER  38  77.555  -0.068   7.509
  296   1HB   SER  38          2HB       SER  38  75.217   1.771   6.955
  297   2HB   SER  38          3HB       SER  38  75.861   1.547   8.578
  298    HG   SER  38           HG       SER  38  77.537   2.197   6.398
  299    H    SER  39           HN       SER  39  75.483  -1.670   5.840
  300    HA   SER  39           HA       SER  39  74.519  -3.738   6.424
  301   1HB   SER  39          2HB       SER  39  73.920  -2.595   9.171
  302   2HB   SER  39          3HB       SER  39  73.818  -4.275   8.662
  303    HG   SER  39           HG       SER  39  75.880  -4.462   8.960
  304    H    LYS  40           HN       LYS  40  72.392  -2.092   8.646
  305    HA   LYS  40           HA       LYS  40  70.264  -2.289   6.606
  306   1HB   LYS  40          2HB       LYS  40  70.207  -1.625   9.558
  307   2HB   LYS  40          3HB       LYS  40  68.773  -1.697   8.536
  308   1HG   LYS  40          2HG       LYS  40  69.370  -4.060   7.948
  309   2HG   LYS  40          3HG       LYS  40  70.695  -3.973   9.110
  310   1HD   LYS  40          2HD       LYS  40  69.103  -3.454  10.909
  311   2HD   LYS  40          3HD       LYS  40  67.772  -3.519   9.756
  312   1HE   LYS  40          2HE       LYS  40  68.266  -5.884   9.292
  313   2HE   LYS  40          3HE       LYS  40  69.623  -5.828  10.417
  314   1HZ   LYS  40           HZ3      LYS  40  67.220  -4.845  11.591
  315   2HZ   LYS  40           HZ2      LYS  40  67.031  -6.436  11.030
  316   3HZ   LYS  40           HZ1      LYS  40  68.264  -6.063  12.136
  317    H    GLN  41           HN       GLN  41  72.435   0.077   7.581
  318    HA   GLN  41           HA       GLN  41  70.525   2.309   7.168
  319   1HB   GLN  41          2HB       GLN  41  73.421   2.241   8.042
  320   2HB   GLN  41          3HB       GLN  41  72.526   3.734   7.766
  321   1HG   GLN  41          2HG       GLN  41  70.879   3.081   9.471
  322   2HG   GLN  41          3HG       GLN  41  71.732   1.553   9.722
  323   1HE2  GLN  41          HE22      GLN  41  72.907   4.195  12.189
  324   2HE2  GLN  41          HE21      GLN  41  71.352   3.677  11.748
  325    H    GLY  42           HN       GLY  42  70.519   3.581   5.348
  326   1HA   GLY  42          2HA       GLY  42  71.665   2.607   2.923
  327   2HA   GLY  42          3HA       GLY  42  70.972   4.214   3.133
  328    H    CYS  43           HN       CYS  43  73.737   2.915   4.949
  329    HA   CYS  43           HA       CYS  43  75.351   5.087   3.677
  330   1HB   CYS  43          2HB       CYS  43  75.637   3.832   6.421
  331   2HB   CYS  43          3HB       CYS  43  76.735   5.032   5.744
  332    HG   CYS  43           HG       CYS  43  74.931   6.819   5.928
  333    H    TYR  44           HN       TYR  44  77.674   4.608   3.384
  334    HA   TYR  44           HA       TYR  44  78.171   1.684   2.956
  335   1HB   TYR  44          2HB       TYR  44  79.108   4.052   1.317
  336   2HB   TYR  44          3HB       TYR  44  79.688   2.403   1.088
  337    HD1  TYR  44           HD1      TYR  44  78.161   0.633   0.252
  338    HD2  TYR  44           HD2      TYR  44  76.898   4.723   0.641
  339    HE1  TYR  44           HE1      TYR  44  76.181   0.159  -1.168
  340    HE2  TYR  44           HE2      TYR  44  74.921   4.250  -0.777
  341    HH   TYR  44           HH       TYR  44  74.607   1.797  -2.749
  342    H    ALA  45           HN       ALA  45  80.287   0.952   3.425
  343    HA   ALA  45           HA       ALA  45  82.117   2.912   4.700
  344   1HB   ALA  45           HB3      ALA  45  81.161   0.317   5.960
  345   2HB   ALA  45           HB2      ALA  45  82.516   1.264   6.568
  346   3HB   ALA  45           HB1      ALA  45  80.891   1.949   6.577
  347    H    CYS  46           HN       CYS  46  84.245   2.508   4.168
  348    HA   CYS  46           HA       CYS  46  84.801   0.012   2.621
  349   1HB   CYS  46          2HB       CYS  46  86.684   1.245   1.612
  350   2HB   CYS  46          3HB       CYS  46  85.181   2.144   1.381
  351    HG   CYS  46           HG       CYS  46  87.507   2.975   3.241
  352    H    SER  47           HN       SER  47  86.061  -1.451   3.599
  353    HA   SER  47           HA       SER  47  87.648  -0.583   5.977
  354   1HB   SER  47          2HB       SER  47  87.488  -2.946   6.682
  355   2HB   SER  47          3HB       SER  47  85.893  -2.248   6.419
  356    HG   SER  47           HG       SER  47  86.706  -4.417   5.379
  357    H    VAL  48           HN       VAL  48  89.840  -1.017   6.053
  358    HA   VAL  48           HA       VAL  48  90.971  -2.546   3.753
  359    HB   VAL  48           HB       VAL  48  91.327  -0.158   3.371
  360   1HG1  VAL  48          HG13      VAL  48  92.673  -0.274   6.073
  361   2HG1  VAL  48          HG12      VAL  48  92.739   1.108   4.980
  362   3HG1  VAL  48          HG11      VAL  48  91.197   0.612   5.684
  363   1HG2  VAL  48          HG22      VAL  48  93.177  -2.044   3.075
  364   2HG2  VAL  48          HG21      VAL  48  93.552  -0.346   2.780
  365   3HG2  VAL  48          HG23      VAL  48  93.998  -1.093   4.315
  366    H    VAL  49           HN       VAL  49  93.096  -3.453   4.209
  367    HA   VAL  49           HA       VAL  49  93.325  -4.319   7.048
  368    HB   VAL  49           HB       VAL  49  94.784  -5.336   4.603
  369   1HG1  VAL  49          HG12      VAL  49  95.408  -5.737   7.230
  370   2HG1  VAL  49          HG11      VAL  49  94.314  -7.088   6.930
  371   3HG1  VAL  49          HG13      VAL  49  95.760  -6.889   5.941
  372   1HG2  VAL  49          HG22      VAL  49  92.348  -5.651   4.377
  373   2HG2  VAL  49          HG21      VAL  49  93.168  -7.188   4.630
  374   3HG2  VAL  49          HG23      VAL  49  92.301  -6.429   5.960
  375    H    VAL  50           HN       VAL  50  95.073  -3.646   8.332
  376    HA   VAL  50           HA       VAL  50  97.220  -2.186   6.856
  377    HB   VAL  50           HB       VAL  50  95.900  -1.469   9.485
  378   1HG1  VAL  50          HG13      VAL  50  98.605  -0.917   8.517
  379   2HG1  VAL  50          HG12      VAL  50  97.695   0.556   8.840
  380   3HG1  VAL  50          HG11      VAL  50  97.909  -0.643  10.114
  381   1HG2  VAL  50          HG22      VAL  50  96.147  -0.135   6.787
  382   2HG2  VAL  50          HG21      VAL  50  94.675  -0.647   7.610
  383   3HG2  VAL  50          HG23      VAL  50  95.605   0.713   8.237
  384    H    ASP  51           HN       ASP  51  99.304  -2.440   7.608
  385    HA   ASP  51           HA       ASP  51 100.157  -4.858   8.617
  386   1HB   ASP  51          2HB       ASP  51 101.391  -2.122   8.996
  387   2HB   ASP  51          3HB       ASP  51 102.205  -3.621   9.449
  388    H    GLY  52           HN       GLY  52  98.644  -2.323  10.264
  389   1HA   GLY  52          2HA       GLY  52  99.451  -3.293  12.926
  390   2HA   GLY  52          3HA       GLY  52  98.436  -1.888  12.603
  391    H    GLU  53           HN       GLU  53  96.284  -2.687  11.289
  392    HA   GLU  53           HA       GLU  53  95.276  -5.286  12.225
  393   1HB   GLU  53          2HB       GLU  53  94.160  -2.731  13.427
  394   2HB   GLU  53          3HB       GLU  53  93.475  -4.338  13.648
  395   1HG   GLU  53          2HG       GLU  53  95.712  -5.047  14.603
  396   2HG   GLU  53          3HG       GLU  53  96.176  -3.344  14.575
  397    H    VAL  54           HN       VAL  54  92.871  -5.482  11.674
  398    HA   VAL  54           HA       VAL  54  92.400  -4.628   8.979
  399    HB   VAL  54           HB       VAL  54  90.191  -5.630   9.344
  400   1HG1  VAL  54          HG13      VAL  54  92.326  -7.027   9.139
  401   2HG1  VAL  54          HG12      VAL  54  92.220  -7.248  10.883
  402   3HG1  VAL  54          HG11      VAL  54  90.931  -7.849   9.837
  403   1HG2  VAL  54          HG21      VAL  54  90.909  -5.026  12.141
  404   2HG2  VAL  54          HG23      VAL  54  89.316  -5.131  11.394
  405   3HG2  VAL  54          HG22      VAL  54  90.148  -6.599  11.905
  406    H    LYS  55           HN       LYS  55  91.232  -2.744   8.274
  407    HA   LYS  55           HA       LYS  55  90.376  -0.958  10.521
  408   1HB   LYS  55          2HB       LYS  55  91.257  -0.123   7.754
  409   2HB   LYS  55          3HB       LYS  55  90.942   0.930   9.136
  410   1HG   LYS  55          2HG       LYS  55  93.098  -1.193   9.002
  411   2HG   LYS  55          3HG       LYS  55  93.357   0.549   8.863
  412   1HD   LYS  55          2HD       LYS  55  92.164   0.712  11.133
  413   2HD   LYS  55          3HD       LYS  55  92.426  -1.027  11.253
  414   1HE   LYS  55          2HE       LYS  55  94.847   0.381  10.423
  415   2HE   LYS  55          3HE       LYS  55  94.249   0.956  11.973
  416   1HZ   LYS  55           HZ3      LYS  55  94.299  -1.932  11.541
  417   2HZ   LYS  55           HZ2      LYS  55  95.791  -1.157  11.770
  418   3HZ   LYS  55           HZ1      LYS  55  94.583  -1.045  12.957
  419    H    HIS  56           HN       HIS  56  88.409   0.008  10.466
  420    HA   HIS  56           HA       HIS  56  86.621  -0.673   8.182
  421   1HB   HIS  56          2HB       HIS  56  86.247  -0.667  11.134
  422   2HB   HIS  56          3HB       HIS  56  84.896  -0.072  10.176
  423    HD1  HIS  56           HD1      HIS  56  86.204  -3.141  11.479
  424    HD2  HIS  56           HD2      HIS  56  84.345  -2.026   7.931
  425    HE1  HIS  56           HE1      HIS  56  85.277  -5.271  10.456
  426    H    CYS  57           HN       CYS  57  86.920   1.239   6.978
  427    HA   CYS  57           HA       CYS  57  86.530   3.822   8.407
  428   1HB   CYS  57          2HB       CYS  57  87.469   3.202   5.591
  429   2HB   CYS  57          3HB       CYS  57  87.308   4.824   6.259
  430    HG   CYS  57           HG       CYS  57  89.199   4.226   7.994
  431    H    VAL  58           HN       VAL  58  84.559   4.695   8.387
  432    HA   VAL  58           HA       VAL  58  82.422   3.575   6.767
  433    HB   VAL  58           HB       VAL  58  82.635   5.809   8.767
  434   1HG1  VAL  58          HG12      VAL  58  80.473   5.306   6.750
  435   2HG1  VAL  58          HG11      VAL  58  80.014   5.826   8.373
  436   3HG1  VAL  58          HG13      VAL  58  81.073   6.835   7.392
  437   1HG2  VAL  58          HG23      VAL  58  82.251   3.162   9.100
  438   2HG2  VAL  58          HG22      VAL  58  81.538   4.365  10.170
  439   3HG2  VAL  58          HG21      VAL  58  80.577   3.660   8.869
  440    H    ILE  59           HN       ILE  59  81.463   4.442   4.982
  441    HA   ILE  59           HA       ILE  59  82.761   6.850   3.813
  442    HB   ILE  59           HB       ILE  59  81.250   4.593   2.455
  443   1HG1  ILE  59          HG12      ILE  59  83.461   3.887   3.256
  444   2HG1  ILE  59          HG11      ILE  59  83.478   4.038   1.500
  445   1HG2  ILE  59          HG21      ILE  59  82.513   7.130   1.426
  446   2HG2  ILE  59          HG23      ILE  59  82.298   5.717   0.387
  447   3HG2  ILE  59          HG22      ILE  59  80.896   6.501   1.116
  448   1HD1  ILE  59          HD12      ILE  59  84.270   6.487   1.993
  449   2HD1  ILE  59          HD11      ILE  59  84.724   5.831   3.562
  450   3HD1  ILE  59          HD13      ILE  59  85.431   5.171   2.089
  451    H    ASN  60           HN       ASN  60  81.468   8.664   3.577
  452    HA   ASN  60           HA       ASN  60  78.525   8.272   4.036
  453   1HB   ASN  60          2HB       ASN  60  80.314  10.624   4.729
  454   2HB   ASN  60          3HB       ASN  60  78.558  10.631   4.891
  455   1HD2  ASN  60          HD22      ASN  60  79.333   7.629   7.277
  456   2HD2  ASN  60          HD21      ASN  60  78.992   7.546   5.615
  457    H    LYS  61           HN       LYS  61  77.560   8.405   2.023
  458    HA   LYS  61           HA       LYS  61  78.627  10.399   0.087
  459   1HB   LYS  61          2HB       LYS  61  78.161   8.078  -0.725
  460   2HB   LYS  61          3HB       LYS  61  76.464   8.301  -0.313
  461   1HG   LYS  61          2HG       LYS  61  76.287  10.161  -1.901
  462   2HG   LYS  61          3HG       LYS  61  78.005  10.035  -2.274
  463   1HD   LYS  61          2HD       LYS  61  77.680   7.793  -3.208
  464   2HD   LYS  61          3HD       LYS  61  75.975   7.823  -2.752
  465   1HE   LYS  61          2HE       LYS  61  75.545   9.669  -4.272
  466   2HE   LYS  61          3HE       LYS  61  77.264   9.817  -4.640
  467   1HZ   LYS  61           HZ1      LYS  61  76.827   7.246  -5.213
  468   2HZ   LYS  61           HZ3      LYS  61  75.318   7.904  -5.620
  469   3HZ   LYS  61           HZ2      LYS  61  76.729   8.499  -6.356
  470    H    THR  62           HN       THR  62  77.725  12.370   0.121
  471    HA   THR  62           HA       THR  62  74.796  12.594   0.396
  472    HB   THR  62           HB       THR  62  74.953  14.344   2.103
  473    HG1  THR  62           HG1      THR  62  77.539  14.211   1.406
  474   1HG2  THR  62          HG23      THR  62  74.980  11.776   2.659
  475   2HG2  THR  62          HG22      THR  62  76.621  12.112   3.215
  476   3HG2  THR  62          HG21      THR  62  75.251  12.951   3.943
  477    H    ALA  63           HN       ALA  63  74.174  14.984  -0.055
  478    HA   ALA  63           HA       ALA  63  75.223  15.752  -2.558
  479   1HB   ALA  63           HB3      ALA  63  73.456  16.989  -0.535
  480   2HB   ALA  63           HB2      ALA  63  74.279  18.130  -1.602
  481   3HB   ALA  63           HB1      ALA  63  73.257  16.863  -2.285
  482    H    THR  64           HN       THR  64  76.153  16.821   0.710
  483    HA   THR  64           HA       THR  64  78.438  18.267  -0.574
  484    HB   THR  64           HB       THR  64  77.121  18.797   2.105
  485    HG1  THR  64           HG1      THR  64  77.197  20.728   0.162
  486   1HG2  THR  64          HG23      THR  64  79.669  19.639   0.897
  487   2HG2  THR  64          HG22      THR  64  78.667  20.982   1.441
  488   3HG2  THR  64          HG21      THR  64  79.141  19.718   2.576
  489    H    GLY  65           HN       GLY  65  77.628  15.603   1.412
  490   1HA   GLY  65          2HA       GLY  65  80.274  15.580   2.750
  491   2HA   GLY  65          3HA       GLY  65  78.965  14.445   3.062
  492    H    TYR  66           HN       TYR  66  80.921  12.957   2.860
  493    HA   TYR  66           HA       TYR  66  80.807  11.375   0.527
  494   1HB   TYR  66          2HB       TYR  66  82.241  13.695   0.003
  495   2HB   TYR  66          3HB       TYR  66  83.497  12.518   0.382
  496    HD1  TYR  66           HD2      TYR  66  80.167  12.325  -1.343
  497    HD2  TYR  66           HD1      TYR  66  84.388  11.570  -1.541
  498    HE1  TYR  66           HE2      TYR  66  79.876  11.291  -3.577
  499    HE2  TYR  66           HE1      TYR  66  84.099  10.543  -3.772
  500    HH   TYR  66           HH       TYR  66  81.090  10.725  -5.510
  501    H    GLY  67           HN       GLY  67  83.357  10.221   0.515
  502   1HA   GLY  67          2HA       GLY  67  83.400   8.631   2.811
  503   2HA   GLY  67          3HA       GLY  67  84.817   8.899   1.797
  504    H    PHE  68           HN       PHE  68  85.324  11.572   2.149
  505    HA   PHE  68           HA       PHE  68  85.881  11.771   5.081
  506   1HB   PHE  68          2HB       PHE  68  87.410  12.929   2.727
  507   2HB   PHE  68          3HB       PHE  68  87.775  13.270   4.420
  508    HD1  PHE  68           HD1      PHE  68  87.788  11.020   5.920
  509    HD2  PHE  68           HD2      PHE  68  88.739  11.251   1.739
  510    HE1  PHE  68           HE1      PHE  68  89.122   8.950   6.114
  511    HE2  PHE  68           HE2      PHE  68  90.077   9.162   1.932
  512    HZ   PHE  68           HZ       PHE  68  90.273   8.018   4.128
  513    H    ALA  69           HN       ALA  69  84.266  13.178   2.413
  514    HA   ALA  69           HA       ALA  69  82.955  15.111   2.183
  515   1HB   ALA  69           HB2      ALA  69  83.003  14.905   5.205
  516   2HB   ALA  69           HB1      ALA  69  81.913  15.944   4.285
  517   3HB   ALA  69           HB3      ALA  69  81.803  14.189   4.129
  518    H    GLU  70           HN       GLU  70  85.837  15.557   2.206
  519    HA   GLU  70           HA       GLU  70  86.028  18.152   3.656
  520   1HB   GLU  70          2HB       GLU  70  88.134  16.377   2.395
  521   2HB   GLU  70          3HB       GLU  70  88.478  17.970   3.074
  522   1HG   GLU  70          2HG       GLU  70  87.690  17.268   5.261
  523   2HG   GLU  70          3HG       GLU  70  87.160  15.714   4.614
  524    HA   PRO  71           HA       PRO  71  85.123  20.568   0.062
  525   1HB   PRO  71          2HB       PRO  71  87.627  22.002   0.898
  526   2HB   PRO  71          3HB       PRO  71  86.053  22.673   0.438
  527   1HG   PRO  71          2HG       PRO  71  86.800  22.477   2.988
  528   2HG   PRO  71          3HG       PRO  71  85.119  22.247   2.482
  529   1HD   PRO  71          2HD       PRO  71  87.052  20.242   3.469
  530   2HD   PRO  71          3HD       PRO  71  85.278  20.177   3.421
  531    H    TYR  72           HN       TYR  72  88.163  18.923   0.482
  532    HA   TYR  72           HA       TYR  72  89.085  19.547  -2.260
  533   1HB   TYR  72          2HB       TYR  72  90.256  17.768  -0.102
  534   2HB   TYR  72          3HB       TYR  72  91.012  18.086  -1.663
  535    HD1  TYR  72           HD1      TYR  72  89.971  19.565   1.541
  536    HD2  TYR  72           HD2      TYR  72  92.019  20.224  -2.168
  537    HE1  TYR  72           HE1      TYR  72  90.900  21.680   2.434
  538    HE2  TYR  72           HE2      TYR  72  92.948  22.346  -1.286
  539    HH   TYR  72           HH       TYR  72  91.753  23.923   1.307
  540    H    ASN  73           HN       ASN  73  86.899  17.427  -0.932
  541    HA   ASN  73           HA       ASN  73  87.551  15.306  -2.918
  542   1HB   ASN  73          2HB       ASN  73  86.085  13.837  -1.587
  543   2HB   ASN  73          3HB       ASN  73  87.340  14.543  -0.570
  544   1HD2  ASN  73          HD22      ASN  73  84.139  16.871  -0.017
  545   2HD2  ASN  73          HD21      ASN  73  85.124  16.933  -1.395
  546    H    LEU  74           HN       LEU  74  84.321  15.192  -1.856
  547    HA   LEU  74           HA       LEU  74  82.303  15.594  -2.985
  548   1HB   LEU  74          2HB       LEU  74  83.864  17.966  -4.049
  549   2HB   LEU  74          3HB       LEU  74  82.132  17.726  -4.268
  550    HG   LEU  74           HG       LEU  74  83.541  17.940  -1.595
  551   1HD1  LEU  74          HD12      LEU  74  82.142  19.880  -3.375
  552   2HD1  LEU  74          HD11      LEU  74  81.915  20.041  -1.632
  553   3HD1  LEU  74          HD13      LEU  74  83.535  20.121  -2.322
  554   1HD2  LEU  74          HD22      LEU  74  80.840  17.096  -2.428
  555   2HD2  LEU  74          HD21      LEU  74  81.676  16.829  -0.899
  556   3HD2  LEU  74          HD23      LEU  74  80.844  18.355  -1.197
  557    H    TYR  75           HN       TYR  75  84.398  13.921  -4.222
  558    HA   TYR  75           HA       TYR  75  84.580  14.363  -7.014
  559   1HB   TYR  75          2HB       TYR  75  84.424  11.714  -5.554
  560   2HB   TYR  75          3HB       TYR  75  85.016  11.951  -7.196
  561    HD1  TYR  75           HD1      TYR  75  86.945  13.659  -7.526
  562    HD2  TYR  75           HD2      TYR  75  85.908  11.947  -3.726
  563    HE1  TYR  75           HE1      TYR  75  89.186  14.258  -6.647
  564    HE2  TYR  75           HE2      TYR  75  88.152  12.536  -2.848
  565    HH   TYR  75           HH       TYR  75  90.439  12.990  -3.773
  566    H    SER  76           HN       SER  76  83.315  13.527  -8.746
  567    HA   SER  76           HA       SER  76  80.494  13.795  -8.343
  568   1HB   SER  76          2HB       SER  76  80.266  13.227 -10.688
  569   2HB   SER  76          3HB       SER  76  81.647  14.300 -10.487
  570    HG   SER  76           HG       SER  76  81.680  12.061 -11.704
  571    H    SER  77           HN       SER  77  82.550  10.907  -8.440
  572    HA   SER  77           HA       SER  77  80.107   9.337  -7.758
  573   1HB   SER  77          2HB       SER  77  80.507   9.023 -10.149
  574   2HB   SER  77          3HB       SER  77  82.172   8.548  -9.822
  575    HG   SER  77           HG       SER  77  80.206   6.947  -9.971
  576    H    LEU  78           HN       LEU  78  80.532   7.340  -6.631
  577    HA   LEU  78           HA       LEU  78  82.617   7.525  -4.690
  578   1HB   LEU  78          2HB       LEU  78  80.913   5.164  -5.551
  579   2HB   LEU  78          3HB       LEU  78  82.010   5.134  -4.169
  580    HG   LEU  78           HG       LEU  78  79.741   7.114  -4.514
  581   1HD1  LEU  78          HD13      LEU  78  79.392   4.484  -4.014
  582   2HD1  LEU  78          HD12      LEU  78  79.756   5.031  -2.377
  583   3HD1  LEU  78          HD11      LEU  78  78.393   5.725  -3.256
  584   1HD2  LEU  78          HD23      LEU  78  81.900   6.648  -2.490
  585   2HD2  LEU  78          HD22      LEU  78  81.238   8.170  -3.085
  586   3HD2  LEU  78          HD21      LEU  78  80.328   7.206  -1.923
  587    H    LYS  79           HN       LYS  79  82.422   5.841  -7.808
  588    HA   LYS  79           HA       LYS  79  84.616   4.108  -7.651
  589   1HB   LYS  79          2HB       LYS  79  83.795   5.951  -9.919
  590   2HB   LYS  79          3HB       LYS  79  84.969   4.645 -10.089
  591   1HG   LYS  79          2HG       LYS  79  83.265   3.007  -9.405
  592   2HG   LYS  79          3HG       LYS  79  82.089   4.305  -9.205
  593   1HD   LYS  79          2HD       LYS  79  82.172   4.842 -11.556
  594   2HD   LYS  79          3HD       LYS  79  83.519   3.730 -11.811
  595   1HE   LYS  79          2HE       LYS  79  81.972   1.882 -10.962
  596   2HE   LYS  79          3HE       LYS  79  80.657   3.049 -11.123
  597   1HZ   LYS  79           HZ1      LYS  79  82.499   2.630 -13.372
  598   2HZ   LYS  79           HZ3      LYS  79  81.266   1.499 -13.097
  599   3HZ   LYS  79           HZ2      LYS  79  80.875   3.125 -13.390
  600    H    GLU  80           HN       GLU  80  84.555   7.591  -8.196
  601    HA   GLU  80           HA       GLU  80  87.383   7.977  -8.479
  602   1HB   GLU  80          2HB       GLU  80  85.112   9.789  -7.621
  603   2HB   GLU  80          3HB       GLU  80  86.762  10.363  -7.817
  604   1HG   GLU  80          2HG       GLU  80  86.770   9.655 -10.155
  605   2HG   GLU  80          3HG       GLU  80  85.162   8.953  -9.970
  606    H    LEU  81           HN       LEU  81  85.203   7.907  -5.698
  607    HA   LEU  81           HA       LEU  81  86.992   8.845  -3.697
  608   1HB   LEU  81          2HB       LEU  81  84.547   8.489  -3.387
  609   2HB   LEU  81          3HB       LEU  81  84.812   6.752  -3.414
  610    HG   LEU  81           HG       LEU  81  86.335   8.517  -1.509
  611   1HD1  LEU  81          HD12      LEU  81  83.474   7.784  -1.437
  612   2HD1  LEU  81          HD11      LEU  81  84.367   7.423   0.039
  613   3HD1  LEU  81          HD13      LEU  81  84.329   9.070  -0.586
  614   1HD2  LEU  81          HD23      LEU  81  86.045   5.669  -2.049
  615   2HD2  LEU  81          HD22      LEU  81  87.249   6.509  -1.074
  616   3HD2  LEU  81          HD21      LEU  81  85.702   6.052  -0.363
  617    H    VAL  82           HN       VAL  82  86.456   5.544  -4.931
  618    HA   VAL  82           HA       VAL  82  88.265   4.281  -3.096
  619    HB   VAL  82           HB       VAL  82  87.337   3.479  -5.867
  620   1HG1  VAL  82          HG13      VAL  82  89.024   2.035  -3.809
  621   2HG1  VAL  82          HG12      VAL  82  88.164   1.189  -5.097
  622   3HG1  VAL  82          HG11      VAL  82  89.425   2.358  -5.496
  623   1HG2  VAL  82          HG21      VAL  82  86.429   2.988  -3.038
  624   2HG2  VAL  82          HG23      VAL  82  85.464   3.365  -4.465
  625   3HG2  VAL  82          HG22      VAL  82  86.137   1.748  -4.258
  626    H    LEU  83           HN       LEU  83  88.698   5.526  -6.404
  627    HA   LEU  83           HA       LEU  83  91.469   4.807  -6.620
  628   1HB   LEU  83          2HB       LEU  83  89.750   6.831  -8.055
  629   2HB   LEU  83          3HB       LEU  83  91.427   6.508  -8.496
  630    HG   LEU  83           HG       LEU  83  89.244   4.416  -8.348
  631   1HD1  LEU  83          HD12      LEU  83  89.125   6.203 -10.206
  632   2HD1  LEU  83          HD11      LEU  83  90.597   5.460 -10.835
  633   3HD1  LEU  83          HD13      LEU  83  89.114   4.513 -10.708
  634   1HD2  LEU  83          HD22      LEU  83  92.189   4.396  -8.803
  635   2HD2  LEU  83          HD21      LEU  83  91.157   3.169  -8.069
  636   3HD2  LEU  83          HD23      LEU  83  91.224   3.332  -9.826
  637    H    HIS  84           HN       HIS  84  89.850   7.796  -5.550
  638    HA   HIS  84           HA       HIS  84  92.241   9.358  -5.405
  639   1HB   HIS  84          2HB       HIS  84  89.544   9.572  -4.076
  640   2HB   HIS  84          3HB       HIS  84  90.847  10.690  -3.671
  641    HD1  HIS  84           HD1      HIS  84  88.640   9.638  -6.544
  642    HD2  HIS  84           HD2      HIS  84  91.481  12.569  -5.686
  643    HE1  HIS  84           HE1      HIS  84  88.561  11.304  -8.452
  644    H    TYR  85           HN       TYR  85  90.615   7.321  -2.954
  645    HA   TYR  85           HA       TYR  85  92.557   7.967  -0.886
  646   1HB   TYR  85          2HB       TYR  85  90.619   5.639  -1.088
  647   2HB   TYR  85          3HB       TYR  85  91.532   6.087   0.349
  648    HD1  TYR  85           HD2      TYR  85  90.796   9.127  -1.238
  649    HD2  TYR  85           HD1      TYR  85  88.886   6.000   1.025
  650    HE1  TYR  85           HE2      TYR  85  89.018  10.694  -0.572
  651    HE2  TYR  85           HE1      TYR  85  87.097   7.586   1.682
  652    HH   TYR  85           HH       TYR  85  86.486  10.391   0.158
  653    H    GLN  86           HN       GLN  86  92.544   5.887  -3.592
  654    HA   GLN  86           HA       GLN  86  94.324   3.828  -2.636
  655   1HB   GLN  86          2HB       GLN  86  92.998   3.547  -4.682
  656   2HB   GLN  86          3HB       GLN  86  93.833   4.911  -5.432
  657   1HG   GLN  86          2HG       GLN  86  95.620   2.831  -4.350
  658   2HG   GLN  86          3HG       GLN  86  94.610   2.308  -5.701
  659   1HE2  GLN  86          HE21      GLN  86  96.271   2.295  -7.282
  660   2HE2  GLN  86          HE22      GLN  86  97.047   3.705  -7.815
  661    H    HIS  87           HN       HIS  87  94.792   7.017  -4.095
  662    HA   HIS  87           HA       HIS  87  97.727   6.637  -4.085
  663   1HB   HIS  87          2HB       HIS  87  97.836   8.587  -5.422
  664   2HB   HIS  87          3HB       HIS  87  96.357   7.788  -5.955
  665    HD1  HIS  87           HD1      HIS  87  94.107   8.894  -5.377
  666    HD2  HIS  87           HD2      HIS  87  97.384  10.963  -3.836
  667    HE1  HIS  87           HE1      HIS  87  93.233  11.138  -4.582
  668    H    THR  88           HN       THR  88  95.220   8.106  -2.176
  669    HA   THR  88           HA       THR  88  97.174   9.755  -0.669
  670    HB   THR  88           HB       THR  88  94.194   9.413  -0.192
  671    HG1  THR  88           HG1      THR  88  93.974  10.689  -1.827
  672   1HG2  THR  88          HG22      THR  88  96.250  11.410   0.788
  673   2HG2  THR  88          HG21      THR  88  94.510  11.646   0.944
  674   3HG2  THR  88          HG23      THR  88  95.294  10.296   1.767
  675    H    SER  89           HN       SER  89  98.100   9.067   1.150
  676    HA   SER  89           HA       SER  89  97.537   6.384   2.118
  677   1HB   SER  89          2HB       SER  89  99.447   6.663   3.484
  678   2HB   SER  89          3HB       SER  89  99.810   7.618   2.047
  679    HG   SER  89           HG       SER  89  98.535   9.256   3.561
  680    H    LEU  90           HN       LEU  90  96.244   5.836   3.787
  681    HA   LEU  90           HA       LEU  90  94.509   7.802   4.991
  682   1HB   LEU  90          2HB       LEU  90  95.054   4.896   5.620
  683   2HB   LEU  90          3HB       LEU  90  93.796   5.836   6.416
  684    HG   LEU  90           HG       LEU  90  93.996   5.454   3.411
  685   1HD1  LEU  90          HD12      LEU  90  93.392   3.474   5.173
  686   2HD1  LEU  90          HD11      LEU  90  91.803   4.210   4.960
  687   3HD1  LEU  90          HD13      LEU  90  92.682   3.593   3.562
  688   1HD2  LEU  90          HD23      LEU  90  92.084   6.814   5.278
  689   2HD2  LEU  90          HD22      LEU  90  92.674   7.346   3.701
  690   3HD2  LEU  90          HD21      LEU  90  91.459   6.073   3.804
  691    H    VAL  91           HN       VAL  91  97.670   6.668   5.793
  692    HA   VAL  91           HA       VAL  91  98.051   6.629   8.479
  693    HB   VAL  91           HB       VAL  91  99.860   6.890   6.707
  694   1HG1  VAL  91          HG13      VAL  91  98.836   9.057   5.837
  695   2HG1  VAL  91          HG12      VAL  91  99.495   9.834   7.276
  696   3HG1  VAL  91          HG11      VAL  91 100.580   9.091   6.103
  697   1HG2  VAL  91          HG21      VAL  91 100.327   6.850   9.149
  698   2HG2  VAL  91          HG23      VAL  91 101.440   7.917   8.293
  699   3HG2  VAL  91          HG22      VAL  91 100.091   8.597   9.203
  700    H    GLN  92           HN       GLN  92  97.415   9.653   6.709
  701    HA   GLN  92           HA       GLN  92  97.570  11.542   8.711
  702   1HB   GLN  92          2HB       GLN  92  96.936  12.001   6.360
  703   2HB   GLN  92          3HB       GLN  92  95.340  11.320   6.674
  704   1HG   GLN  92          2HG       GLN  92  94.863  13.019   8.316
  705   2HG   GLN  92          3HG       GLN  92  96.514  13.628   8.237
  706   1HE2  GLN  92          HE22      GLN  92  94.136  14.316   4.953
  707   2HE2  GLN  92          HE21      GLN  92  93.970  12.849   5.788
  708    H    HIS  93           HN       HIS  93  95.166   9.014   8.412
  709    HA   HIS  93           HA       HIS  93  93.458  10.199  10.483
  710   1HB   HIS  93          2HB       HIS  93  93.450   7.456   9.175
  711   2HB   HIS  93          3HB       HIS  93  92.238   8.014  10.327
  712    HD1  HIS  93           HD1      HIS  93  90.652   9.959   9.554
  713    HD2  HIS  93           HD2      HIS  93  93.187   8.534   6.569
  714    HE1  HIS  93           HE1      HIS  93  89.776  10.888   7.365
  715    H    ASN  94           HN       ASN  94  94.015  10.091  12.590
  716    HA   ASN  94           HA       ASN  94  94.958   9.332  14.599
  717   1HB   ASN  94          2HB       ASN  94  94.815   6.687  13.115
  718   2HB   ASN  94          3HB       ASN  94  95.208   6.840  14.823
  719   1HD2  ASN  94          HD22      ASN  94  91.720   8.492  15.039
  720   2HD2  ASN  94          HD21      ASN  94  93.252   9.220  14.986
  721    H    ASP  95           HN       ASP  95  96.541   9.524  11.753
  722    HA   ASP  95           HA       ASP  95  98.796   9.583  11.132
  723   1HB   ASP  95          2HB       ASP  95  98.896  11.038  13.163
  724   2HB   ASP  95          3HB       ASP  95  99.268   9.607  14.126
  725    H    SER  96           HN       SER  96  97.443   6.907  11.832
  726    HA   SER  96           HA       SER  96  99.990   5.382  11.888
  727   1HB   SER  96          2HB       SER  96  97.619   4.915  13.718
  728   2HB   SER  96          3HB       SER  96  98.833   3.679  13.411
  729    HG   SER  96           HG       SER  96  99.762   6.207  14.101
  730    H    LEU  97           HN       LEU  97  97.458   6.094  10.097
  731    HA   LEU  97           HA       LEU  97  96.775   3.295   9.341
  732   1HB   LEU  97          2HB       LEU  97  95.589   5.991   8.663
  733   2HB   LEU  97          3HB       LEU  97  95.192   4.555   7.730
  734    HG   LEU  97           HG       LEU  97  93.655   5.185   9.715
  735   1HD1  LEU  97          HD11      LEU  97  94.638   2.611   8.736
  736   2HD1  LEU  97          HD13      LEU  97  94.017   2.501  10.382
  737   3HD1  LEU  97          HD12      LEU  97  92.986   3.113   9.090
  738   1HD2  LEU  97          HD21      LEU  97  95.695   5.455  11.251
  739   2HD2  LEU  97          HD23      LEU  97  94.343   4.521  11.888
  740   3HD2  LEU  97          HD22      LEU  97  95.771   3.692  11.265
  741    H    ASN  98           HN       ASN  98  99.228   3.334   8.636
  742    HA   ASN  98           HA       ASN  98  99.764   4.812   6.185
  743   1HB   ASN  98          2HB       ASN  98 101.938   3.679   6.281
  744   2HB   ASN  98          3HB       ASN  98 101.495   4.321   7.863
  745   1HD2  ASN  98          HD22      ASN  98 101.534   1.192   9.429
  746   2HD2  ASN  98          HD21      ASN  98 101.449   2.882   9.577
  747    H    VAL  99           HN       VAL  99  97.908   3.970   4.947
  748    HA   VAL  99           HA       VAL  99  98.724   1.771   3.239
  749    HB   VAL  99           HB       VAL  99  96.465   1.379   5.204
  750   1HG1  VAL  99          HG11      VAL  99  96.937   0.152   2.504
  751   2HG1  VAL  99          HG13      VAL  99  96.219  -0.822   3.789
  752   3HG1  VAL  99          HG12      VAL  99  95.422   0.655   3.249
  753   1HG2  VAL  99          HG21      VAL  99  99.079   0.063   4.578
  754   2HG2  VAL  99          HG23      VAL  99  98.365   0.439   6.149
  755   3HG2  VAL  99          HG22      VAL  99  97.767  -0.921   5.201
  756    H    THR 100           HN       THR 100  97.333   1.591   1.381
  757    HA   THR 100           HA       THR 100  95.267   3.747   1.165
  758    HB   THR 100           HB       THR 100  95.973   4.196  -1.110
  759    HG1  THR 100           HG1      THR 100  97.289   2.900  -2.122
  760   1HG2  THR 100          HG22      THR 100  97.839   4.482   1.163
  761   2HG2  THR 100          HG21      THR 100  98.580   4.674  -0.424
  762   3HG2  THR 100          HG23      THR 100  97.228   5.705   0.047
  763    H    LEU 101           HN       LEU 101  93.713   3.291  -0.673
  764    HA   LEU 101           HA       LEU 101  92.993   0.456  -0.643
  765   1HB   LEU 101          2HB       LEU 101  91.798   2.804  -2.153
  766   2HB   LEU 101          3HB       LEU 101  91.071   1.202  -2.018
  767    HG   LEU 101           HG       LEU 101  91.138   1.492   0.498
  768   1HD1  LEU 101          HD12      LEU 101  92.179   4.149  -0.375
  769   2HD1  LEU 101          HD11      LEU 101  91.131   4.082   1.041
  770   3HD1  LEU 101          HD13      LEU 101  92.636   3.166   1.016
  771   1HD2  LEU 101          HD21      LEU 101  89.299   2.459  -1.402
  772   2HD2  LEU 101          HD23      LEU 101  88.978   2.151   0.305
  773   3HD2  LEU 101          HD22      LEU 101  89.465   3.761  -0.224
  774    H    ALA 102           HN       ALA 102  95.270   0.077  -1.665
  775    HA   ALA 102           HA       ALA 102  95.360   0.638  -4.555
  776   1HB   ALA 102           HB3      ALA 102  97.379   0.894  -3.080
  777   2HB   ALA 102           HB2      ALA 102  97.378  -0.858  -2.869
  778   3HB   ALA 102           HB1      ALA 102  97.635  -0.163  -4.468
  779    H    TYR 103           HN       TYR 103  94.605  -2.066  -2.454
  780    HA   TYR 103           HA       TYR 103  94.569  -3.796  -4.884
  781   1HB   TYR 103          2HB       TYR 103  95.182  -4.497  -2.013
  782   2HB   TYR 103          3HB       TYR 103  94.988  -5.689  -3.297
  783    HD1  TYR 103           HD1      TYR 103  96.533  -5.629  -5.278
  784    HD2  TYR 103           HD2      TYR 103  97.198  -3.216  -1.789
  785    HE1  TYR 103           HE1      TYR 103  98.893  -5.295  -5.960
  786    HE2  TYR 103           HE2      TYR 103  99.561  -2.887  -2.470
  787    HH   TYR 103           HH       TYR 103 101.247  -4.009  -3.851
  788    HA   PRO 104           HA       PRO 104  90.196  -4.224  -3.970
  789   1HB   PRO 104          2HB       PRO 104  89.614  -6.098  -5.810
  790   2HB   PRO 104          3HB       PRO 104  90.082  -4.447  -6.268
  791   1HG   PRO 104          2HG       PRO 104  91.744  -6.922  -6.231
  792   2HG   PRO 104          3HG       PRO 104  91.625  -5.666  -7.477
  793   1HD   PRO 104          2HD       PRO 104  93.638  -5.750  -5.623
  794   2HD   PRO 104          3HD       PRO 104  93.061  -4.246  -6.370
  795    H    VAL 105           HN       VAL 105  88.743  -5.824  -3.034
  796    HA   VAL 105           HA       VAL 105  90.178  -7.936  -1.556
  797    HB   VAL 105           HB       VAL 105  88.660  -6.365  -0.354
  798   1HG1  VAL 105          HG13      VAL 105  86.754  -7.402  -2.377
  799   2HG1  VAL 105          HG12      VAL 105  86.125  -7.294  -0.736
  800   3HG1  VAL 105          HG11      VAL 105  86.765  -5.864  -1.533
  801   1HG2  VAL 105          HG23      VAL 105  89.023  -9.018   0.081
  802   2HG2  VAL 105          HG22      VAL 105  88.071  -7.986   1.147
  803   3HG2  VAL 105          HG21      VAL 105  87.269  -8.968  -0.077
  804    H    TYR 106           HN       TYR 106  87.777  -7.737  -4.133
  805    HA   TYR 106           HA       TYR 106  87.812 -10.711  -4.125
  806   1HB   TYR 106          2HB       TYR 106  85.694  -9.889  -3.151
  807   2HB   TYR 106          3HB       TYR 106  85.378  -8.991  -4.639
  808    HD1  TYR 106           HD2      TYR 106  86.235 -12.434  -3.453
  809    HD2  TYR 106           HD1      TYR 106  84.205 -10.020  -6.366
  810    HE1  TYR 106           HE2      TYR 106  85.329 -14.483  -4.511
  811    HE2  TYR 106           HE1      TYR 106  83.298 -12.066  -7.433
  812    HH   TYR 106           HH       TYR 106  84.495 -15.065  -6.960
  813    H    ALA 107           HN       ALA 107  89.561  -9.919  -5.788
  814    HA   ALA 107           HA       ALA 107  88.331  -9.253  -8.410
  815   1HB   ALA 107           HB3      ALA 107  90.795  -8.636  -7.319
  816   2HB   ALA 107           HB2      ALA 107  91.191  -9.987  -8.377
  817   3HB   ALA 107           HB1      ALA 107  90.409  -8.552  -9.037
  818    H    GLN 108           HN       GLN 108  88.149 -10.755 -10.104
  819    HA   GLN 108           HA       GLN 108  87.973 -13.529  -9.450
  820   1HB   GLN 108          2HB       GLN 108  87.626 -13.909 -11.807
  821   2HB   GLN 108          3HB       GLN 108  86.825 -12.394 -11.391
  822   1HG   GLN 108          2HG       GLN 108  88.782 -11.133 -12.221
  823   2HG   GLN 108          3HG       GLN 108  89.581 -12.649 -12.638
  824   1HE2  GLN 108          HE22      GLN 108  87.878 -12.970 -15.694
  825   2HE2  GLN 108          HE21      GLN 108  89.130 -13.509 -14.683
  826    H    GLN 109           HN       GLN 109  89.465 -15.180  -9.571
  827    HA   GLN 109           HA       GLN 109  92.257 -14.401 -10.255
  828   1HB   GLN 109          2HB       GLN 109  91.722 -15.449  -8.015
  829   2HB   GLN 109          3HB       GLN 109  91.299 -16.927  -8.881
  830   1HG   GLN 109          2HG       GLN 109  93.557 -17.052  -9.824
  831   2HG   GLN 109          3HG       GLN 109  93.990 -15.533  -9.042
  832   1HE2  GLN 109          HE22      GLN 109  95.260 -17.970  -6.658
  833   2HE2  GLN 109          HE21      GLN 109  95.704 -17.186  -8.095
  834    H    ARG 110           HN       ARG 110  89.578 -15.962 -11.557
  835    HA   ARG 110           HA       ARG 110  90.956 -18.052 -13.044
  836   1HB   ARG 110          2HB       ARG 110  88.515 -18.155 -12.496
  837   2HB   ARG 110          3HB       ARG 110  88.248 -16.802 -13.595
  838   1HG   ARG 110          2HG       ARG 110  87.894 -18.514 -15.083
  839   2HG   ARG 110          3HG       ARG 110  89.642 -18.383 -15.239
  840   1HD   ARG 110          2HD       ARG 110  89.957 -20.177 -13.606
  841   2HD   ARG 110          3HD       ARG 110  88.216 -20.266 -13.349
  842    HE   ARG 110           HE       ARG 110  88.522 -20.649 -16.083
  843   1HH1  ARG 110          HH21      ARG 110  89.791 -22.090 -13.197
  844   2HH1  ARG 110          HH22      ARG 110  89.936 -23.667 -13.902
  845   1HH2  ARG 110          HH11      ARG 110  88.673 -22.712 -16.984
  846   2HH2  ARG 110          HH12      ARG 110  89.326 -24.012 -16.044
  847    H    ARG 111           HN       ARG 111  92.008 -17.824 -14.969
  848    HA   ARG 111           HA       ARG 111  92.952 -16.691 -16.813
  849   1HB   ARG 111          2HB       ARG 111  90.048 -15.820 -16.911
  850   2HB   ARG 111          3HB       ARG 111  91.208 -15.458 -18.194
  851   1HG   ARG 111          2HG       ARG 111  91.667 -17.904 -18.411
  852   2HG   ARG 111          3HG       ARG 111  90.403 -18.211 -17.225
  853   1HD   ARG 111          2HD       ARG 111  89.957 -16.695 -19.805
  854   2HD   ARG 111          3HD       ARG 111  89.589 -18.407 -19.590
  855    HE   ARG 111           HE       ARG 111  88.264 -17.146 -17.492
  856   1HH1  ARG 111          HH21      ARG 111  88.400 -16.794 -20.917
  857   2HH1  ARG 111          HH22      ARG 111  86.755 -16.277 -21.058
  858   1HH2  ARG 111          HH11      ARG 111  86.101 -16.491 -17.671
  859   2HH2  ARG 111          HH12      ARG 111  85.455 -16.118 -19.234
   
  No H/Q in entry =         859
  Start of MODEL   25
    1   1H    GLU   1           HT3      GLU   1  93.545  -3.960 -18.014
    2   2H    GLU   1           HT2      GLU   1  93.304  -4.677 -19.533
    3   3H    GLU   1           HT1      GLU   1  94.869  -4.550 -18.888
    4    HA   GLU   1           HA       GLU   1  95.157  -2.508 -19.674
    5   1HB   GLU   1          2HB       GLU   1  93.984  -3.532 -21.612
    6   2HB   GLU   1          3HB       GLU   1  92.443  -2.959 -20.962
    7   1HG   GLU   1          2HG       GLU   1  93.239  -1.363 -22.629
    8   2HG   GLU   1          3HG       GLU   1  93.338  -0.625 -21.028
    9    H    ASP   2           HN       ASP   2  91.679  -2.697 -18.862
   10    HA   ASP   2           HA       ASP   2  91.666   0.089 -17.995
   11   1HB   ASP   2          2HB       ASP   2  89.355  -0.350 -17.328
   12   2HB   ASP   2          3HB       ASP   2  89.634  -1.037 -18.925
   13    H    LEU   3           HN       LEU   3  90.870   0.535 -15.640
   14    HA   LEU   3           HA       LEU   3  92.681  -0.958 -13.846
   15   1HB   LEU   3          2HB       LEU   3  90.980   1.510 -13.379
   16   2HB   LEU   3          3HB       LEU   3  92.121   0.838 -12.218
   17    HG   LEU   3           HG       LEU   3  92.949   1.652 -15.011
   18   1HD1  LEU   3          HD11      LEU   3  92.824   3.268 -12.457
   19   2HD1  LEU   3          HD13      LEU   3  93.905   3.690 -13.787
   20   3HD1  LEU   3          HD12      LEU   3  92.159   3.682 -14.039
   21   1HD2  LEU   3          HD22      LEU   3  94.218   0.304 -12.829
   22   2HD2  LEU   3          HD21      LEU   3  94.932   0.798 -14.365
   23   3HD2  LEU   3          HD23      LEU   3  94.964   1.896 -12.985
   24    HA   PRO   4           HA       PRO   4  89.517  -3.684 -12.215
   25   1HB   PRO   4          2HB       PRO   4  90.803  -3.143  -9.595
   26   2HB   PRO   4          3HB       PRO   4  90.513  -4.690 -10.404
   27   1HG   PRO   4          2HG       PRO   4  92.940  -3.482 -10.225
   28   2HG   PRO   4          3HG       PRO   4  92.489  -4.621 -11.498
   29   1HD   PRO   4          2HD       PRO   4  92.942  -1.732 -11.683
   30   2HD   PRO   4          3HD       PRO   4  92.840  -2.937 -12.981
   31    H    HIS   5           HN       HIS   5  90.178  -0.504 -11.034
   32    HA   HIS   5           HA       HIS   5  88.144  -0.300  -9.038
   33   1HB   HIS   5          2HB       HIS   5  89.372   1.837 -10.803
   34   2HB   HIS   5          3HB       HIS   5  88.464   2.133  -9.316
   35    HD1  HIS   5           HD1      HIS   5  89.523   0.340  -7.277
   36    HD2  HIS   5           HD2      HIS   5  92.067   1.872 -10.206
   37    HE1  HIS   5           HE1      HIS   5  91.877   0.128  -6.368
   38    H    HIS   6           HN       HIS   6  88.005  -0.463 -12.443
   39    HA   HIS   6           HA       HIS   6  85.608   1.031 -12.944
   40   1HB   HIS   6          2HB       HIS   6  86.899  -1.323 -14.345
   41   2HB   HIS   6          3HB       HIS   6  85.477  -0.481 -14.977
   42    HD1  HIS   6           HD1      HIS   6  87.461  -0.013 -16.932
   43    HD2  HIS   6           HD2      HIS   6  87.662   2.128 -13.362
   44    HE1  HIS   6           HE1      HIS   6  88.889   2.028 -17.399
   45    H    ASP   7           HN       ASP   7  86.219  -2.308 -11.933
   46    HA   ASP   7           HA       ASP   7  83.319  -2.877 -11.926
   47   1HB   ASP   7          2HB       ASP   7  85.756  -4.623 -11.514
   48   2HB   ASP   7          3HB       ASP   7  84.104  -5.213 -11.336
   49    H    GLU   8           HN       GLU   8  82.142  -2.855 -10.083
   50    HA   GLU   8           HA       GLU   8  83.312  -2.008  -7.571
   51   1HB   GLU   8          2HB       GLU   8  80.545  -2.962  -8.344
   52   2HB   GLU   8          3HB       GLU   8  80.955  -2.440  -6.715
   53   1HG   GLU   8          2HG       GLU   8  81.691  -0.249  -7.620
   54   2HG   GLU   8          3HG       GLU   8  81.197  -0.774  -9.230
   55    H    LYS   9           HN       LYS   9  82.335  -5.075  -8.950
   56    HA   LYS   9           HA       LYS   9  82.246  -6.640  -6.585
   57   1HB   LYS   9          2HB       LYS   9  82.742  -8.544  -8.117
   58   2HB   LYS   9          3HB       LYS   9  81.468  -7.483  -8.733
   59   1HG   LYS   9          2HG       LYS   9  82.672  -6.948 -10.554
   60   2HG   LYS   9          3HG       LYS   9  84.067  -6.519  -9.572
   61   1HD   LYS   9          2HD       LYS   9  83.557  -9.434  -9.869
   62   2HD   LYS   9          3HD       LYS   9  84.054  -8.585 -11.327
   63   1HE   LYS   9          2HE       LYS   9  86.137  -8.128 -10.534
   64   2HE   LYS   9          3HE       LYS   9  85.582  -7.910  -8.874
   65   1HZ   LYS   9           HZ1      LYS   9  85.780 -10.533 -10.252
   66   2HZ   LYS   9           HZ3      LYS   9  86.967  -9.909  -9.215
   67   3HZ   LYS   9           HZ2      LYS   9  85.419 -10.267  -8.612
   68    H    THR  10           HN       THR  10  84.986  -5.335  -8.329
   69    HA   THR  10           HA       THR  10  86.931  -7.186  -7.297
   70    HB   THR  10           HB       THR  10  88.595  -5.454  -7.988
   71    HG1  THR  10           HG1      THR  10  87.765  -3.593  -8.996
   72   1HG2  THR  10          HG22      THR  10  86.361  -6.075  -9.931
   73   2HG2  THR  10          HG21      THR  10  87.963  -5.504 -10.399
   74   3HG2  THR  10          HG23      THR  10  87.783  -7.070  -9.609
   75    H    TRP  11           HN       TRP  11  85.465  -4.297  -5.959
   76    HA   TRP  11           HA       TRP  11  87.025  -4.801  -3.457
   77   1HB   TRP  11          2HB       TRP  11  86.473  -2.156  -3.234
   78   2HB   TRP  11          3HB       TRP  11  87.976  -2.766  -3.933
   79    HD1  TRP  11           HD1      TRP  11  87.950  -3.097  -6.650
   80    HE1  TRP  11           HE1      TRP  11  86.796  -1.702  -8.472
   81    HE3  TRP  11           HE3      TRP  11  84.542  -0.617  -3.788
   82    HZ2  TRP  11           HZ2      TRP  11  84.716   0.272  -8.673
   83    HZ3  TRP  11           HZ3      TRP  11  82.992   1.024  -4.817
   84    HH2  TRP  11           HH2      TRP  11  83.077   1.469  -7.252
   85    H    ASN  12           HN       ASN  12  83.999  -4.036  -4.999
   86    HA   ASN  12           HA       ASN  12  82.616  -3.382  -2.514
   87   1HB   ASN  12          2HB       ASN  12  81.961  -2.502  -4.782
   88   2HB   ASN  12          3HB       ASN  12  81.372  -4.123  -5.164
   89   1HD2  ASN  12          HD22      ASN  12  78.272  -3.092  -3.781
   90   2HD2  ASN  12          HD21      ASN  12  79.098  -3.604  -5.174
   91    H    VAL  13           HN       VAL  13  81.800  -4.729  -1.122
   92    HA   VAL  13           HA       VAL  13  81.006  -7.462  -1.997
   93    HB   VAL  13           HB       VAL  13  82.548  -6.761   0.523
   94   1HG1  VAL  13          HG11      VAL  13  80.800  -8.964  -0.135
   95   2HG1  VAL  13          HG13      VAL  13  82.448  -9.551   0.086
   96   3HG1  VAL  13          HG12      VAL  13  81.651  -8.644   1.373
   97   1HG2  VAL  13          HG22      VAL  13  83.301  -8.297  -1.984
   98   2HG2  VAL  13          HG21      VAL  13  84.016  -6.790  -1.416
   99   3HG2  VAL  13          HG23      VAL  13  84.270  -8.284  -0.516
  100    H    GLY  14           HN       GLY  14  79.487  -5.007  -1.585
  101   1HA   GLY  14          2HA       GLY  14  78.199  -4.594   0.816
  102   2HA   GLY  14          3HA       GLY  14  77.340  -4.554  -0.725
  103    H    SER  15           HN       SER  15  75.801  -5.359   1.243
  104    HA   SER  15           HA       SER  15  74.424  -7.118   1.953
  105   1HB   SER  15          2HB       SER  15  74.373  -7.624  -0.506
  106   2HB   SER  15          3HB       SER  15  75.775  -8.663  -0.285
  107    HG   SER  15           HG       SER  15  74.227  -9.516   1.517
  108    H    SER  16           HN       SER  16  77.234  -6.744   2.927
  109    HA   SER  16           HA       SER  16  77.589  -9.507   4.002
  110   1HB   SER  16          2HB       SER  16  79.762  -7.561   3.182
  111   2HB   SER  16          3HB       SER  16  80.046  -9.072   4.042
  112    HG   SER  16           HG       SER  16  78.620  -9.850   2.105
  113    H    ASN  17           HN       ASN  17  77.841  -9.616   6.186
  114    HA   ASN  17           HA       ASN  17  77.366  -7.192   7.746
  115   1HB   ASN  17          2HB       ASN  17  77.277  -8.740   9.653
  116   2HB   ASN  17          3HB       ASN  17  76.313  -9.360   8.316
  117   1HD2  ASN  17          HD22      ASN  17  78.079 -12.388   8.486
  118   2HD2  ASN  17          HD21      ASN  17  76.577 -11.601   8.435
  119    H    ARG  18           HN       ARG  18  78.787  -6.788   9.727
  120    HA   ARG  18           HA       ARG  18  81.466  -6.267   8.882
  121   1HB   ARG  18          2HB       ARG  18  80.198  -6.287  11.626
  122   2HB   ARG  18          3HB       ARG  18  81.857  -5.770  11.330
  123   1HG   ARG  18          2HG       ARG  18  81.009  -4.104   9.695
  124   2HG   ARG  18          3HG       ARG  18  79.364  -4.565  10.106
  125   1HD   ARG  18          2HD       ARG  18  79.896  -3.999  12.507
  126   2HD   ARG  18          3HD       ARG  18  81.429  -3.331  11.951
  127    HE   ARG  18           HE       ARG  18  78.899  -2.005  11.883
  128   1HH1  ARG  18          HH21      ARG  18  81.612  -2.640   9.834
  129   2HH1  ARG  18          HH22      ARG  18  81.243  -1.350   8.741
  130   1HH2  ARG  18          HH11      ARG  18  78.420  -0.328  10.464
  131   2HH2  ARG  18          HH12      ARG  18  79.450  -0.042   9.102
  132    H    ASN  19           HN       ASN  19  80.020  -8.943  10.657
  133    HA   ASN  19           HA       ASN  19  82.461 -10.086  11.623
  134   1HB   ASN  19          2HB       ASN  19  79.793 -11.351  10.930
  135   2HB   ASN  19          3HB       ASN  19  81.117 -12.227  11.698
  136   1HD2  ASN  19          HD22      ASN  19  80.852  -9.907  14.638
  137   2HD2  ASN  19          HD21      ASN  19  82.069 -10.225  13.498
  138    H    LYS  20           HN       LYS  20  80.575 -10.686   8.653
  139    HA   LYS  20           HA       LYS  20  82.318 -12.665   7.558
  140   1HB   LYS  20          2HB       LYS  20  80.018 -12.134   6.693
  141   2HB   LYS  20          3HB       LYS  20  80.666 -10.631   6.034
  142   1HG   LYS  20          2HG       LYS  20  82.187 -11.839   4.587
  143   2HG   LYS  20          3HG       LYS  20  81.747 -13.373   5.332
  144   1HD   LYS  20          2HD       LYS  20  79.609 -11.668   4.096
  145   2HD   LYS  20          3HD       LYS  20  80.626 -12.674   3.062
  146   1HE   LYS  20          2HE       LYS  20  79.275 -13.816   5.506
  147   2HE   LYS  20          3HE       LYS  20  78.438 -13.722   3.958
  148   1HZ   LYS  20           HZ1      LYS  20  80.664 -14.795   3.124
  149   2HZ   LYS  20           HZ3      LYS  20  80.752 -15.340   4.726
  150   3HZ   LYS  20           HZ2      LYS  20  79.415 -15.751   3.764
  151    H    ALA  21           HN       ALA  21  82.285  -9.119   7.309
  152    HA   ALA  21           HA       ALA  21  84.360  -8.889   5.382
  153   1HB   ALA  21           HB3      ALA  21  83.484  -7.041   7.621
  154   2HB   ALA  21           HB2      ALA  21  84.723  -6.599   6.444
  155   3HB   ALA  21           HB1      ALA  21  83.079  -6.931   5.910
  156    H    GLU  22           HN       GLU  22  84.502  -9.260   8.918
  157    HA   GLU  22           HA       GLU  22  87.300  -8.810   9.220
  158   1HB   GLU  22          2HB       GLU  22  85.559  -9.099  11.064
  159   2HB   GLU  22          3HB       GLU  22  85.684 -10.835  10.781
  160   1HG   GLU  22          2HG       GLU  22  87.985 -10.876  11.409
  161   2HG   GLU  22          3HG       GLU  22  88.102  -9.117  11.351
  162    H    ASN  23           HN       ASN  23  85.480 -11.783   8.496
  163    HA   ASN  23           HA       ASN  23  87.708 -13.561   8.377
  164   1HB   ASN  23          2HB       ASN  23  85.016 -13.598   6.976
  165   2HB   ASN  23          3HB       ASN  23  86.169 -14.930   6.903
  166   1HD2  ASN  23          HD22      ASN  23  83.729 -14.767  10.034
  167   2HD2  ASN  23          HD21      ASN  23  83.447 -14.007   8.540
  168    H    LEU  24           HN       LEU  24  86.148 -11.449   6.015
  169    HA   LEU  24           HA       LEU  24  87.826 -12.286   3.802
  170   1HB   LEU  24          2HB       LEU  24  86.047  -9.866   4.224
  171   2HB   LEU  24          3HB       LEU  24  86.919 -10.183   2.720
  172    HG   LEU  24           HG       LEU  24  84.931 -12.078   4.013
  173   1HD1  LEU  24          HD13      LEU  24  84.184  -9.816   2.839
  174   2HD1  LEU  24          HD12      LEU  24  84.524 -10.731   1.367
  175   3HD1  LEU  24          HD11      LEU  24  83.325 -11.323   2.515
  176   1HD2  LEU  24          HD22      LEU  24  86.780 -12.213   1.675
  177   2HD2  LEU  24          HD21      LEU  24  86.261 -13.495   2.770
  178   3HD2  LEU  24          HD23      LEU  24  85.181 -12.935   1.491
  179    H    LEU  25           HN       LEU  25  87.986  -9.816   6.307
  180    HA   LEU  25           HA       LEU  25  90.360  -8.573   5.053
  181   1HB   LEU  25          2HB       LEU  25  88.880  -8.049   7.648
  182   2HB   LEU  25          3HB       LEU  25  90.307  -7.154   7.148
  183    HG   LEU  25           HG       LEU  25  88.071  -7.359   5.182
  184   1HD1  LEU  25          HD11      LEU  25  87.080  -6.839   7.493
  185   2HD1  LEU  25          HD13      LEU  25  87.996  -5.334   7.428
  186   3HD1  LEU  25          HD12      LEU  25  86.754  -5.664   6.221
  187   1HD2  LEU  25          HD21      LEU  25  90.165  -5.328   5.993
  188   2HD2  LEU  25          HD23      LEU  25  89.928  -6.100   4.422
  189   3HD2  LEU  25          HD22      LEU  25  88.796  -4.870   4.981
  190    H    ARG  26           HN       ARG  26  89.626 -11.177   7.065
  191    HA   ARG  26           HA       ARG  26  92.155 -11.075   8.578
  192   1HB   ARG  26          2HB       ARG  26  89.689 -12.780   8.628
  193   2HB   ARG  26          3HB       ARG  26  91.197 -13.496   9.212
  194   1HG   ARG  26          2HG       ARG  26  91.476 -11.587  10.776
  195   2HG   ARG  26          3HG       ARG  26  89.947 -10.914  10.205
  196   1HD   ARG  26          2HD       ARG  26  88.777 -12.974  10.948
  197   2HD   ARG  26          3HD       ARG  26  90.303 -13.615  11.547
  198    HE   ARG  26           HE       ARG  26  90.043 -11.154  12.821
  199   1HH1  ARG  26          HH21      ARG  26  88.199 -14.057  12.494
  200   2HH1  ARG  26          HH22      ARG  26  87.376 -13.860  14.007
  201   1HH2  ARG  26          HH11      ARG  26  88.981 -10.891  14.804
  202   2HH2  ARG  26          HH12      ARG  26  87.811 -12.066  15.311
  203    H    GLY  27           HN       GLY  27  93.982 -11.850   7.673
  204   1HA   GLY  27          2HA       GLY  27  95.282 -13.624   6.651
  205   2HA   GLY  27          3HA       GLY  27  93.813 -14.207   5.868
  206    H    LYS  28           HN       LYS  28  93.593 -10.996   5.473
  207    HA   LYS  28           HA       LYS  28  94.635 -11.143   2.737
  208   1HB   LYS  28          2HB       LYS  28  93.097  -9.010   4.235
  209   2HB   LYS  28          3HB       LYS  28  93.594  -8.855   2.553
  210   1HG   LYS  28          2HG       LYS  28  91.794 -11.016   3.683
  211   2HG   LYS  28          3HG       LYS  28  91.281  -9.649   2.691
  212   1HD   LYS  28          2HD       LYS  28  93.277 -10.736   1.154
  213   2HD   LYS  28          3HD       LYS  28  92.565 -12.175   1.885
  214   1HE   LYS  28          2HE       LYS  28  90.343 -11.488   1.108
  215   2HE   LYS  28          3HE       LYS  28  91.030 -10.006   0.433
  216   1HZ   LYS  28           HZ1      LYS  28  92.093 -12.639  -0.347
  217   2HZ   LYS  28           HZ3      LYS  28  90.707 -12.021  -1.103
  218   3HZ   LYS  28           HZ2      LYS  28  92.168 -11.163  -1.185
  219    H    ARG  29           HN       ARG  29  96.169  -9.692   1.917
  220    HA   ARG  29           HA       ARG  29  98.257  -8.936   3.826
  221   1HB   ARG  29          2HB       ARG  29  98.083  -8.601   0.820
  222   2HB   ARG  29          3HB       ARG  29  99.524  -8.315   1.789
  223   1HG   ARG  29          2HG       ARG  29  98.046 -10.953   1.686
  224   2HG   ARG  29          3HG       ARG  29  99.465 -10.583   0.707
  225   1HD   ARG  29          2HD       ARG  29 100.575  -9.969   2.984
  226   2HD   ARG  29          3HD       ARG  29  99.273 -10.918   3.700
  227    HE   ARG  29           HE       ARG  29 101.616 -11.981   2.480
  228   1HH1  ARG  29          HH21      ARG  29  98.195 -12.376   2.440
  229   2HH1  ARG  29          HH22      ARG  29  98.256 -13.940   1.701
  230   1HH2  ARG  29          HH11      ARG  29 101.718 -14.009   1.526
  231   2HH2  ARG  29          HH12      ARG  29 100.257 -14.872   1.189
  232    H    ASP  30           HN       ASP  30  99.134  -6.769   4.000
  233    HA   ASP  30           HA       ASP  30  97.239  -4.691   4.349
  234   1HB   ASP  30          2HB       ASP  30  99.605  -4.775   5.274
  235   2HB   ASP  30          3HB       ASP  30 100.172  -4.289   3.675
  236    H    GLY  31           HN       GLY  31  96.460  -3.097   2.957
  237   1HA   GLY  31          2HA       GLY  31  96.588  -1.757   0.911
  238   2HA   GLY  31          3HA       GLY  31  97.542  -3.051   0.175
  239    H    THR  32           HN       THR  32  95.478  -4.919   1.617
  240    HA   THR  32           HA       THR  32  93.652  -5.033  -0.693
  241    HB   THR  32           HB       THR  32  93.762  -6.840   1.726
  242    HG1  THR  32           HG1      THR  32  95.218  -8.007   0.677
  243   1HG2  THR  32          HG22      THR  32  91.966  -6.633  -0.466
  244   2HG2  THR  32          HG21      THR  32  92.915  -8.098  -0.702
  245   3HG2  THR  32          HG23      THR  32  92.005  -7.868   0.789
  246    H    PHE  33           HN       PHE  33  91.701  -3.998  -0.625
  247    HA   PHE  33           HA       PHE  33  90.365  -3.832   2.019
  248   1HB   PHE  33          2HB       PHE  33  90.238  -1.575   2.075
  249   2HB   PHE  33          3HB       PHE  33  91.664  -1.664   1.050
  250    HD1  PHE  33           HD1      PHE  33  91.327  -1.519  -1.494
  251    HD2  PHE  33           HD2      PHE  33  88.221  -0.705   1.350
  252    HE1  PHE  33           HE1      PHE  33  90.030  -0.296  -3.221
  253    HE2  PHE  33           HE2      PHE  33  86.944   0.498  -0.396
  254    HZ   PHE  33           HZ       PHE  33  87.839   0.698  -2.666
  255    H    LEU  34           HN       LEU  34  88.038  -3.124   1.781
  256    HA   LEU  34           HA       LEU  34  86.889  -3.830  -0.868
  257   1HB   LEU  34          2HB       LEU  34  85.364  -5.464   0.101
  258   2HB   LEU  34          3HB       LEU  34  87.021  -5.921   0.473
  259    HG   LEU  34           HG       LEU  34  85.932  -4.166   2.526
  260   1HD1  LEU  34          HD12      LEU  34  84.399  -6.616   1.693
  261   2HD1  LEU  34          HD11      LEU  34  84.475  -6.173   3.397
  262   3HD1  LEU  34          HD13      LEU  34  83.779  -5.053   2.226
  263   1HD2  LEU  34          HD21      LEU  34  87.116  -6.955   2.412
  264   2HD2  LEU  34          HD23      LEU  34  87.902  -5.472   2.957
  265   3HD2  LEU  34          HD22      LEU  34  86.617  -6.197   3.924
  266    H    VAL  35           HN       VAL  35  84.652  -3.147  -1.105
  267    HA   VAL  35           HA       VAL  35  83.938  -0.958   0.791
  268    HB   VAL  35           HB       VAL  35  83.304  -1.380  -2.148
  269   1HG1  VAL  35          HG12      VAL  35  81.849   0.116  -0.076
  270   2HG1  VAL  35          HG11      VAL  35  82.286   1.082  -1.488
  271   3HG1  VAL  35          HG13      VAL  35  81.323  -0.385  -1.683
  272   1HG2  VAL  35          HG22      VAL  35  84.786   0.727  -0.555
  273   2HG2  VAL  35          HG21      VAL  35  85.453  -0.350  -1.781
  274   3HG2  VAL  35          HG23      VAL  35  84.338   0.936  -2.247
  275    H    ARG  36           HN       ARG  36  82.207  -1.334   2.070
  276    HA   ARG  36           HA       ARG  36  80.055  -3.152   1.105
  277   1HB   ARG  36          2HB       ARG  36  79.988  -4.182   3.407
  278   2HB   ARG  36          3HB       ARG  36  81.446  -4.573   2.496
  279   1HG   ARG  36          2HG       ARG  36  82.467  -3.914   4.440
  280   2HG   ARG  36          3HG       ARG  36  82.296  -2.323   3.704
  281   1HD   ARG  36          2HD       ARG  36  81.498  -2.297   6.031
  282   2HD   ARG  36          3HD       ARG  36  80.169  -1.994   4.913
  283    HE   ARG  36           HE       ARG  36  80.075  -4.727   5.296
  284   1HH1  ARG  36          HH21      ARG  36  80.173  -1.905   7.260
  285   2HH1  ARG  36          HH22      ARG  36  79.285  -2.617   8.570
  286   1HH2  ARG  36          HH11      ARG  36  78.919  -5.687   6.975
  287   2HH2  ARG  36          HH12      ARG  36  78.568  -4.773   8.405
  288    H    GLU  37           HN       GLU  37  78.178  -3.006   2.961
  289    HA   GLU  37           HA       GLU  37  77.786  -0.082   3.328
  290   1HB   GLU  37          2HB       GLU  37  75.919  -1.001   2.198
  291   2HB   GLU  37          3HB       GLU  37  75.929  -2.459   3.193
  292   1HG   GLU  37          2HG       GLU  37  75.090  -1.270   5.090
  293   2HG   GLU  37          3HG       GLU  37  75.354   0.286   4.312
  294    H    SER  38           HN       SER  38  76.732   0.563   5.458
  295    HA   SER  38           HA       SER  38  78.193  -0.722   7.653
  296   1HB   SER  38          2HB       SER  38  75.971   1.348   7.766
  297   2HB   SER  38          3HB       SER  38  77.035   0.899   9.096
  298    HG   SER  38           HG       SER  38  77.527   2.830   7.633
  299    H    SER  39           HN       SER  39  76.458  -2.271   6.042
  300    HA   SER  39           HA       SER  39  74.955  -3.994   6.201
  301   1HB   SER  39          2HB       SER  39  75.054  -3.365   9.175
  302   2HB   SER  39          3HB       SER  39  74.349  -4.812   8.459
  303    HG   SER  39           HG       SER  39  76.922  -4.264   9.027
  304    H    LYS  40           HN       LYS  40  74.324  -0.829   7.277
  305    HA   LYS  40           HA       LYS  40  71.389  -1.297   7.356
  306   1HB   LYS  40          2HB       LYS  40  72.413   0.107   9.157
  307   2HB   LYS  40          3HB       LYS  40  72.929   1.255   7.916
  308   1HG   LYS  40          2HG       LYS  40  70.672   1.787   7.335
  309   2HG   LYS  40          3HG       LYS  40  70.041   0.420   8.251
  310   1HD   LYS  40          2HD       LYS  40  69.690   2.466   9.536
  311   2HD   LYS  40          3HD       LYS  40  70.899   1.474  10.348
  312   1HE   LYS  40          2HE       LYS  40  72.701   2.810   9.372
  313   2HE   LYS  40          3HE       LYS  40  71.535   3.764   8.466
  314   1HZ   LYS  40           HZ3      LYS  40  71.400   3.566  11.411
  315   2HZ   LYS  40           HZ2      LYS  40  72.421   4.694  10.652
  316   3HZ   LYS  40           HZ1      LYS  40  70.742   4.756  10.396
  317    H    GLN  41           HN       GLN  41  70.229  -0.896   5.553
  318    HA   GLN  41           HA       GLN  41  71.300  -0.301   3.052
  319   1HB   GLN  41          2HB       GLN  41  69.005  -1.159   3.442
  320   2HB   GLN  41          3HB       GLN  41  68.523   0.445   4.004
  321   1HG   GLN  41          2HG       GLN  41  69.147   1.407   1.827
  322   2HG   GLN  41          3HG       GLN  41  69.652  -0.183   1.259
  323   1HE2  GLN  41          HE22      GLN  41  66.368  -1.233   0.494
  324   2HE2  GLN  41          HE21      GLN  41  68.019  -1.621   0.505
  325    H    GLY  42           HN       GLY  42  71.925   1.514   1.994
  326   1HA   GLY  42          2HA       GLY  42  71.924   3.833   1.451
  327   2HA   GLY  42          3HA       GLY  42  71.043   4.166   2.941
  328    H    CYS  43           HN       CYS  43  73.544   2.096   3.708
  329    HA   CYS  43           HA       CYS  43  75.244   4.437   4.452
  330   1HB   CYS  43          2HB       CYS  43  74.904   1.767   5.840
  331   2HB   CYS  43          3HB       CYS  43  76.059   3.005   6.331
  332    HG   CYS  43           HG       CYS  43  73.905   4.620   6.634
  333    H    TYR  44           HN       TYR  44  77.546   4.211   4.228
  334    HA   TYR  44           HA       TYR  44  78.420   1.851   2.627
  335   1HB   TYR  44          2HB       TYR  44  78.996   4.763   2.027
  336   2HB   TYR  44          3HB       TYR  44  79.835   3.420   1.259
  337    HD1  TYR  44           HD1      TYR  44  78.666   1.909  -0.292
  338    HD2  TYR  44           HD2      TYR  44  76.652   5.241   1.529
  339    HE1  TYR  44           HE1      TYR  44  76.812   1.680  -1.921
  340    HE2  TYR  44           HE2      TYR  44  74.798   5.009  -0.104
  341    HH   TYR  44           HH       TYR  44  74.657   3.973  -2.593
  342    H    ALA  45           HN       ALA  45  80.654   1.298   2.868
  343    HA   ALA  45           HA       ALA  45  82.325   2.882   4.678
  344   1HB   ALA  45           HB1      ALA  45  80.929   0.387   5.538
  345   2HB   ALA  45           HB3      ALA  45  82.598   0.609   6.062
  346   3HB   ALA  45           HB2      ALA  45  81.372   1.805   6.485
  347    H    CYS  46           HN       CYS  46  84.486   2.509   4.200
  348    HA   CYS  46           HA       CYS  46  85.037   0.216   2.346
  349   1HB   CYS  46          2HB       CYS  46  86.677   2.751   2.737
  350   2HB   CYS  46          3HB       CYS  46  87.016   1.462   1.569
  351    HG   CYS  46           HG       CYS  46  84.688   2.076   0.414
  352    H    SER  47           HN       SER  47  85.999  -1.454   3.390
  353    HA   SER  47           HA       SER  47  87.503  -0.839   5.886
  354   1HB   SER  47          2HB       SER  47  86.338  -3.423   4.803
  355   2HB   SER  47          3HB       SER  47  87.290  -3.317   6.283
  356    HG   SER  47           HG       SER  47  84.847  -3.118   6.344
  357    H    VAL  48           HN       VAL  48  89.689  -1.166   5.993
  358    HA   VAL  48           HA       VAL  48  90.968  -2.629   3.726
  359    HB   VAL  48           HB       VAL  48  91.410  -0.301   3.283
  360   1HG1  VAL  48          HG11      VAL  48  91.144  -0.078   6.099
  361   2HG1  VAL  48          HG13      VAL  48  92.754   0.513   5.686
  362   3HG1  VAL  48          HG12      VAL  48  91.328   1.228   4.930
  363   1HG2  VAL  48          HG23      VAL  48  93.375  -1.923   3.264
  364   2HG2  VAL  48          HG22      VAL  48  93.804  -0.221   3.431
  365   3HG2  VAL  48          HG21      VAL  48  93.808  -1.275   4.847
  366    H    VAL  49           HN       VAL  49  93.111  -3.472   4.275
  367    HA   VAL  49           HA       VAL  49  93.293  -4.108   7.190
  368    HB   VAL  49           HB       VAL  49  94.284  -5.611   4.762
  369   1HG1  VAL  49          HG11      VAL  49  94.932  -5.887   7.686
  370   2HG1  VAL  49          HG13      VAL  49  94.966  -7.298   6.626
  371   3HG1  VAL  49          HG12      VAL  49  96.029  -5.929   6.303
  372   1HG2  VAL  49          HG23      VAL  49  92.193  -6.082   6.878
  373   2HG2  VAL  49          HG22      VAL  49  92.006  -6.136   5.127
  374   3HG2  VAL  49          HG21      VAL  49  92.873  -7.425   5.962
  375    H    VAL  50           HN       VAL  50  95.187  -3.539   8.274
  376    HA   VAL  50           HA       VAL  50  97.321  -2.339   6.560
  377    HB   VAL  50           HB       VAL  50  96.328  -1.454   9.284
  378   1HG1  VAL  50          HG11      VAL  50  98.882  -0.961   7.826
  379   2HG1  VAL  50          HG13      VAL  50  98.117   0.443   8.572
  380   3HG1  VAL  50          HG12      VAL  50  98.559  -0.949   9.560
  381   1HG2  VAL  50          HG22      VAL  50  96.049  -0.539   6.476
  382   2HG2  VAL  50          HG21      VAL  50  94.934  -0.367   7.825
  383   3HG2  VAL  50          HG23      VAL  50  96.308   0.725   7.679
  384    H    ASP  51           HN       ASP  51  99.470  -2.630   7.283
  385    HA   ASP  51           HA       ASP  51 100.208  -5.147   8.226
  386   1HB   ASP  51          2HB       ASP  51 101.741  -3.431   7.168
  387   2HB   ASP  51          3HB       ASP  51 101.780  -2.613   8.732
  388    H    GLY  52           HN       GLY  52  98.899  -2.562   9.893
  389   1HA   GLY  52          2HA       GLY  52  99.917  -3.465  12.517
  390   2HA   GLY  52          3HA       GLY  52  98.959  -2.010  12.228
  391    H    GLU  53           HN       GLU  53  96.679  -2.729  11.114
  392    HA   GLU  53           HA       GLU  53  95.591  -5.224  12.186
  393   1HB   GLU  53          2HB       GLU  53  93.953  -4.222  13.714
  394   2HB   GLU  53          3HB       GLU  53  95.596  -3.860  14.253
  395   1HG   GLU  53          2HG       GLU  53  95.465  -1.615  13.429
  396   2HG   GLU  53          3HG       GLU  53  93.990  -1.962  12.527
  397    H    VAL  54           HN       VAL  54  93.059  -5.111  11.969
  398    HA   VAL  54           HA       VAL  54  92.547  -4.122   9.246
  399    HB   VAL  54           HB       VAL  54  91.797  -6.399   9.913
  400   1HG1  VAL  54          HG12      VAL  54  90.959  -5.061  12.241
  401   2HG1  VAL  54          HG11      VAL  54  89.467  -5.527  11.418
  402   3HG1  VAL  54          HG13      VAL  54  90.666  -6.752  11.837
  403   1HG2  VAL  54          HG22      VAL  54  89.587  -4.406   9.312
  404   2HG2  VAL  54          HG21      VAL  54  90.636  -5.180   8.123
  405   3HG2  VAL  54          HG23      VAL  54  89.482  -6.146   9.042
  406    H    LYS  55           HN       LYS  55  91.167  -2.437   8.766
  407    HA   LYS  55           HA       LYS  55  89.880  -1.086  11.109
  408   1HB   LYS  55          2HB       LYS  55  91.213   0.225   8.720
  409   2HB   LYS  55          3HB       LYS  55  90.354   1.075  10.005
  410   1HG   LYS  55          2HG       LYS  55  92.282   1.132  11.172
  411   2HG   LYS  55          3HG       LYS  55  92.177  -0.619  11.323
  412   1HD   LYS  55          2HD       LYS  55  93.392  -0.911   9.227
  413   2HD   LYS  55          3HD       LYS  55  93.440   0.838   8.986
  414   1HE   LYS  55          2HE       LYS  55  94.969  -0.844  10.942
  415   2HE   LYS  55          3HE       LYS  55  95.531   0.495   9.948
  416   1HZ   LYS  55           HZ1      LYS  55  94.120   1.966  11.356
  417   2HZ   LYS  55           HZ3      LYS  55  93.857   0.647  12.391
  418   3HZ   LYS  55           HZ2      LYS  55  95.429   1.256  12.172
  419    H    HIS  56           HN       HIS  56  87.989   0.271  10.480
  420    HA   HIS  56           HA       HIS  56  86.647  -0.713   7.988
  421   1HB   HIS  56          2HB       HIS  56  85.385  -0.273  10.710
  422   2HB   HIS  56          3HB       HIS  56  84.527  -0.770   9.251
  423    HD1  HIS  56           HD1      HIS  56  85.978  -3.005   8.094
  424    HD2  HIS  56           HD2      HIS  56  85.889  -2.501  12.231
  425    HE1  HIS  56           HE1      HIS  56  86.506  -5.268   9.103
  426    H    CYS  57           HN       CYS  57  87.416   1.427   7.074
  427    HA   CYS  57           HA       CYS  57  86.643   3.947   8.188
  428   1HB   CYS  57          2HB       CYS  57  87.025   3.188   5.267
  429   2HB   CYS  57          3HB       CYS  57  86.887   4.835   5.862
  430    HG   CYS  57           HG       CYS  57  89.131   4.479   7.184
  431    H    VAL  58           HN       VAL  58  84.754   5.200   7.880
  432    HA   VAL  58           HA       VAL  58  82.466   3.641   6.775
  433    HB   VAL  58           HB       VAL  58  82.496   4.141   9.268
  434   1HG1  VAL  58          HG12      VAL  58  83.348   6.567   8.663
  435   2HG1  VAL  58          HG11      VAL  58  81.623   6.912   8.509
  436   3HG1  VAL  58          HG13      VAL  58  82.272   6.326  10.044
  437   1HG2  VAL  58          HG21      VAL  58  80.227   5.254   7.585
  438   2HG2  VAL  58          HG23      VAL  58  80.409   3.575   8.096
  439   3HG2  VAL  58          HG22      VAL  58  80.103   4.835   9.294
  440    H    ILE  59           HN       ILE  59  81.347   4.499   5.149
  441    HA   ILE  59           HA       ILE  59  81.660   7.408   4.554
  442    HB   ILE  59           HB       ILE  59  81.393   5.084   2.622
  443   1HG1  ILE  59          HG12      ILE  59  83.642   6.505   1.935
  444   2HG1  ILE  59          HG11      ILE  59  83.655   6.646   3.689
  445   1HG2  ILE  59          HG21      ILE  59  80.164   7.182   1.953
  446   2HG2  ILE  59          HG23      ILE  59  81.708   8.033   2.002
  447   3HG2  ILE  59          HG22      ILE  59  81.462   6.726   0.847
  448   1HD1  ILE  59          HD12      ILE  59  83.216   3.967   2.369
  449   2HD1  ILE  59          HD11      ILE  59  84.843   4.600   2.607
  450   3HD1  ILE  59          HD13      ILE  59  83.800   4.317   3.996
  451    H    ASN  60           HN       ASN  60  79.659   8.460   4.533
  452    HA   ASN  60           HA       ASN  60  77.258   6.672   4.309
  453   1HB   ASN  60          2HB       ASN  60  77.594   9.254   5.865
  454   2HB   ASN  60          3HB       ASN  60  76.042   8.467   5.596
  455   1HD2  ASN  60          HD22      ASN  60  77.793   7.277   8.821
  456   2HD2  ASN  60          HD21      ASN  60  77.652   8.846   8.188
  457    H    LYS  61           HN       LYS  61  76.186   6.975   2.406
  458    HA   LYS  61           HA       LYS  61  76.770   9.282   0.734
  459   1HB   LYS  61          2HB       LYS  61  76.262   7.109  -0.275
  460   2HB   LYS  61          3HB       LYS  61  74.667   7.119   0.471
  461   1HG   LYS  61          2HG       LYS  61  73.916   8.907  -0.884
  462   2HG   LYS  61          3HG       LYS  61  75.557   9.339  -1.363
  463   1HD   LYS  61          2HD       LYS  61  75.740   7.100  -2.494
  464   2HD   LYS  61          3HD       LYS  61  74.035   6.838  -2.148
  465   1HE   LYS  61          2HE       LYS  61  75.131   9.174  -3.734
  466   2HE   LYS  61          3HE       LYS  61  74.422   7.724  -4.444
  467   1HZ   LYS  61           HZ3      LYS  61  72.859   9.096  -2.408
  468   2HZ   LYS  61           HZ2      LYS  61  73.007   9.876  -3.909
  469   3HZ   LYS  61           HZ1      LYS  61  72.349   8.312  -3.821
  470    H    THR  62           HN       THR  62  76.011  11.200   1.426
  471    HA   THR  62           HA       THR  62  73.122  11.642   1.612
  472    HB   THR  62           HB       THR  62  74.890  12.201   4.021
  473    HG1  THR  62           HG1      THR  62  73.447  10.625   4.977
  474   1HG2  THR  62          HG23      THR  62  72.154  12.983   3.196
  475   2HG2  THR  62          HG22      THR  62  72.328  12.449   4.867
  476   3HG2  THR  62          HG21      THR  62  73.288  13.807   4.270
  477    H    ALA  63           HN       ALA  63  72.977  14.163   2.464
  478    HA   ALA  63           HA       ALA  63  74.201  15.748   0.462
  479   1HB   ALA  63           HB3      ALA  63  72.238  16.227   2.197
  480   2HB   ALA  63           HB2      ALA  63  73.551  16.933   3.143
  481   3HB   ALA  63           HB1      ALA  63  73.190  17.558   1.533
  482    H    THR  64           HN       THR  64  75.109  15.210   3.871
  483    HA   THR  64           HA       THR  64  77.931  15.804   3.149
  484    HB   THR  64           HB       THR  64  76.475  17.038   5.509
  485    HG1  THR  64           HG1      THR  64  76.777  17.816   2.969
  486   1HG2  THR  64          HG21      THR  64  79.275  16.545   4.943
  487   2HG2  THR  64          HG23      THR  64  78.954  18.274   5.090
  488   3HG2  THR  64          HG22      THR  64  78.529  17.182   6.408
  489    H    GLY  65           HN       GLY  65  76.952  13.242   3.528
  490   1HA   GLY  65          2HA       GLY  65  77.904  12.558   6.282
  491   2HA   GLY  65          3HA       GLY  65  76.664  11.626   5.447
  492    H    TYR  66           HN       TYR  66  78.366  12.112   2.889
  493    HA   TYR  66           HA       TYR  66  79.522   9.669   2.501
  494   1HB   TYR  66          2HB       TYR  66  80.762  12.326   1.757
  495   2HB   TYR  66          3HB       TYR  66  81.231  10.774   1.068
  496    HD1  TYR  66           HD1      TYR  66  79.492   9.404  -0.177
  497    HD2  TYR  66           HD2      TYR  66  78.850  13.491   0.973
  498    HE1  TYR  66           HE1      TYR  66  77.664   9.583  -1.840
  499    HE2  TYR  66           HE2      TYR  66  77.016  13.671  -0.688
  500    HH   TYR  66           HH       TYR  66  75.371  11.635  -1.850
  501    H    GLY  67           HN       GLY  67  80.625  12.092   4.709
  502   1HA   GLY  67          2HA       GLY  67  82.032  11.555   6.601
  503   2HA   GLY  67          3HA       GLY  67  82.678  10.190   5.689
  504    H    PHE  68           HN       PHE  68  84.556  10.493   4.517
  505    HA   PHE  68           HA       PHE  68  86.242  12.674   5.053
  506   1HB   PHE  68          2HB       PHE  68  86.191  10.777   2.698
  507   2HB   PHE  68          3HB       PHE  68  87.461  11.975   2.929
  508    HD1  PHE  68           HD1      PHE  68  85.855   8.968   4.405
  509    HD2  PHE  68           HD2      PHE  68  89.160  11.701   4.575
  510    HE1  PHE  68           HE1      PHE  68  87.035   7.442   5.965
  511    HE2  PHE  68           HE2      PHE  68  90.344  10.179   6.129
  512    HZ   PHE  68           HZ       PHE  68  89.285   8.049   6.825
  513    H    ALA  69           HN       ALA  69  86.766  14.560   3.936
  514    HA   ALA  69           HA       ALA  69  85.282  15.296   1.498
  515   1HB   ALA  69           HB2      ALA  69  83.865  15.925   3.564
  516   2HB   ALA  69           HB1      ALA  69  85.107  17.136   3.895
  517   3HB   ALA  69           HB3      ALA  69  84.185  17.204   2.392
  518    H    GLU  70           HN       GLU  70  86.546  16.574   0.235
  519    HA   GLU  70           HA       GLU  70  89.032  17.676   1.469
  520   1HB   GLU  70          2HB       GLU  70  88.505  16.574  -1.302
  521   2HB   GLU  70          3HB       GLU  70  89.983  17.433  -0.871
  522   1HG   GLU  70          2HG       GLU  70  90.485  15.774   0.841
  523   2HG   GLU  70          3HG       GLU  70  88.954  14.952   0.528
  524    HA   PRO  71           HA       PRO  71  88.024  21.835   0.433
  525   1HB   PRO  71          2HB       PRO  71  90.468  21.801  -1.305
  526   2HB   PRO  71          3HB       PRO  71  89.967  22.999  -0.093
  527   1HG   PRO  71          2HG       PRO  71  91.856  21.234   0.461
  528   2HG   PRO  71          3HG       PRO  71  90.650  21.689   1.676
  529   1HD   PRO  71          2HD       PRO  71  90.880  19.155   0.122
  530   2HD   PRO  71          3HD       PRO  71  90.223  19.431   1.751
  531    H    TYR  72           HN       TYR  72  86.274  21.949  -0.892
  532    HA   TYR  72           HA       TYR  72  84.961  21.828  -2.839
  533   1HB   TYR  72          2HB       TYR  72  85.895  23.125  -4.710
  534   2HB   TYR  72          3HB       TYR  72  86.227  23.926  -3.176
  535    HD1  TYR  72           HD2      TYR  72  88.467  23.896  -2.195
  536    HD2  TYR  72           HD1      TYR  72  87.699  22.137  -6.038
  537    HE1  TYR  72           HE2      TYR  72  90.901  23.830  -2.651
  538    HE2  TYR  72           HE1      TYR  72  90.135  22.074  -6.494
  539    HH   TYR  72           HH       TYR  72  92.158  22.405  -5.669
  540    H    ASN  73           HN       ASN  73  84.676  19.633  -3.275
  541    HA   ASN  73           HA       ASN  73  85.551  18.537  -5.674
  542   1HB   ASN  73          2HB       ASN  73  87.242  16.814  -4.722
  543   2HB   ASN  73          3HB       ASN  73  87.828  18.438  -5.069
  544   1HD2  ASN  73          HD22      ASN  73  89.029  18.551  -1.749
  545   2HD2  ASN  73          HD21      ASN  73  89.410  18.633  -3.402
  546    H    LEU  74           HN       LEU  74  85.803  16.926  -2.490
  547    HA   LEU  74           HA       LEU  74  84.528  15.161  -1.622
  548   1HB   LEU  74          2HB       LEU  74  82.457  16.783  -3.111
  549   2HB   LEU  74          3HB       LEU  74  82.025  15.332  -2.213
  550    HG   LEU  74           HG       LEU  74  83.645  17.497  -0.896
  551   1HD1  LEU  74          HD13      LEU  74  80.843  17.637  -1.771
  552   2HD1  LEU  74          HD12      LEU  74  81.037  17.881  -0.033
  553   3HD1  LEU  74          HD11      LEU  74  81.893  18.921  -1.171
  554   1HD2  LEU  74          HD21      LEU  74  81.727  15.339   0.031
  555   2HD2  LEU  74          HD23      LEU  74  83.469  15.376   0.271
  556   3HD2  LEU  74          HD22      LEU  74  82.445  16.537   1.102
  557    H    TYR  75           HN       TYR  75  85.803  14.983  -4.387
  558    HA   TYR  75           HA       TYR  75  85.828  13.531  -6.229
  559   1HB   TYR  75          2HB       TYR  75  85.315  11.185  -5.682
  560   2HB   TYR  75          3HB       TYR  75  86.241  11.936  -4.379
  561    HD1  TYR  75           HD2      TYR  75  82.904  10.754  -5.428
  562    HD2  TYR  75           HD1      TYR  75  85.241  12.408  -2.225
  563    HE1  TYR  75           HE2      TYR  75  81.069  10.270  -3.837
  564    HE2  TYR  75           HE1      TYR  75  83.400  11.927  -0.636
  565    HH   TYR  75           HH       TYR  75  81.016   9.860  -1.161
  566    H    SER  76           HN       SER  76  84.563  13.779  -7.975
  567    HA   SER  76           HA       SER  76  81.793  14.419  -7.861
  568   1HB   SER  76          2HB       SER  76  81.820  14.289 -10.252
  569   2HB   SER  76          3HB       SER  76  83.414  14.869  -9.775
  570    HG   SER  76           HG       SER  76  82.816  12.722 -11.190
  571    H    SER  77           HN       SER  77  83.421  11.291  -8.391
  572    HA   SER  77           HA       SER  77  80.724  10.026  -8.130
  573   1HB   SER  77          2HB       SER  77  83.018   9.142  -9.903
  574   2HB   SER  77          3HB       SER  77  81.513   8.255  -9.684
  575    HG   SER  77           HG       SER  77  80.688  10.591 -10.262
  576    H    LEU  78           HN       LEU  78  80.704   7.949  -7.052
  577    HA   LEU  78           HA       LEU  78  82.414   7.767  -4.786
  578   1HB   LEU  78          2HB       LEU  78  80.648   5.710  -6.134
  579   2HB   LEU  78          3HB       LEU  78  81.513   5.387  -4.630
  580    HG   LEU  78           HG       LEU  78  79.648   7.741  -4.989
  581   1HD1  LEU  78          HD11      LEU  78  78.496   5.519  -5.274
  582   2HD1  LEU  78          HD13      LEU  78  79.065   5.078  -3.663
  583   3HD1  LEU  78          HD12      LEU  78  77.945   6.429  -3.866
  584   1HD2  LEU  78          HD22      LEU  78  81.462   6.795  -2.921
  585   2HD2  LEU  78          HD21      LEU  78  80.567   8.312  -3.001
  586   3HD2  LEU  78          HD23      LEU  78  79.807   6.876  -2.317
  587    H    LYS  79           HN       LYS  79  82.609   6.246  -7.969
  588    HA   LYS  79           HA       LYS  79  84.666   4.377  -7.399
  589   1HB   LYS  79          2HB       LYS  79  84.018   5.926  -9.915
  590   2HB   LYS  79          3HB       LYS  79  85.221   4.637  -9.850
  591   1HG   LYS  79          2HG       LYS  79  83.524   3.041  -9.114
  592   2HG   LYS  79          3HG       LYS  79  82.312   4.319  -9.055
  593   1HD   LYS  79          2HD       LYS  79  81.927   3.275 -11.141
  594   2HD   LYS  79          3HD       LYS  79  82.882   4.698 -11.552
  595   1HE   LYS  79          2HE       LYS  79  84.934   3.327 -11.561
  596   2HE   LYS  79          3HE       LYS  79  83.985   1.902 -11.146
  597   1HZ   LYS  79           HZ3      LYS  79  82.715   2.960 -13.321
  598   2HZ   LYS  79           HZ2      LYS  79  84.363   3.158 -13.683
  599   3HZ   LYS  79           HZ1      LYS  79  83.749   1.615 -13.320
  600    H    GLU  80           HN       GLU  80  84.829   7.817  -8.320
  601    HA   GLU  80           HA       GLU  80  87.673   7.952  -8.528
  602   1HB   GLU  80          2HB       GLU  80  85.691  10.102  -7.705
  603   2HB   GLU  80          3HB       GLU  80  87.379  10.396  -8.123
  604   1HG   GLU  80          2HG       GLU  80  86.997   9.416 -10.357
  605   2HG   GLU  80          3HG       GLU  80  85.300   9.155  -9.945
  606    H    LEU  81           HN       LEU  81  85.464   8.147  -5.795
  607    HA   LEU  81           HA       LEU  81  87.280   9.064  -3.825
  608   1HB   LEU  81          2HB       LEU  81  84.846   8.835  -3.440
  609   2HB   LEU  81          3HB       LEU  81  85.012   7.079  -3.492
  610    HG   LEU  81           HG       LEU  81  86.856   8.478  -1.649
  611   1HD1  LEU  81          HD12      LEU  81  83.876   8.624  -1.407
  612   2HD1  LEU  81          HD11      LEU  81  84.823   8.348   0.056
  613   3HD1  LEU  81          HD13      LEU  81  85.102   9.794  -0.914
  614   1HD2  LEU  81          HD23      LEU  81  85.077   6.028  -1.513
  615   2HD2  LEU  81          HD22      LEU  81  86.823   6.057  -1.760
  616   3HD2  LEU  81          HD21      LEU  81  86.146   6.543  -0.206
  617    H    VAL  82           HN       VAL  82  86.645   5.743  -4.992
  618    HA   VAL  82           HA       VAL  82  88.463   4.471  -3.154
  619    HB   VAL  82           HB       VAL  82  87.562   3.588  -5.916
  620   1HG1  VAL  82          HG12      VAL  82  89.045   2.199  -3.679
  621   2HG1  VAL  82          HG11      VAL  82  88.156   1.297  -4.906
  622   3HG1  VAL  82          HG13      VAL  82  89.508   2.329  -5.374
  623   1HG2  VAL  82          HG21      VAL  82  86.427   3.341  -3.145
  624   2HG2  VAL  82          HG23      VAL  82  85.593   3.658  -4.667
  625   3HG2  VAL  82          HG22      VAL  82  86.162   2.031  -4.296
  626    H    LEU  83           HN       LEU  83  88.806   5.822  -6.408
  627    HA   LEU  83           HA       LEU  83  91.526   5.007  -6.830
  628   1HB   LEU  83          2HB       LEU  83  89.884   7.302  -7.931
  629   2HB   LEU  83          3HB       LEU  83  91.497   6.894  -8.516
  630    HG   LEU  83           HG       LEU  83  89.160   4.968  -8.471
  631   1HD1  LEU  83          HD11      LEU  83  90.147   6.941 -10.493
  632   2HD1  LEU  83          HD13      LEU  83  89.580   5.376 -11.079
  633   3HD1  LEU  83          HD12      LEU  83  88.498   6.413 -10.151
  634   1HD2  LEU  83          HD22      LEU  83  92.025   4.847  -9.388
  635   2HD2  LEU  83          HD21      LEU  83  91.101   3.659  -8.471
  636   3HD2  LEU  83          HD23      LEU  83  90.807   3.861 -10.197
  637    H    HIS  84           HN       HIS  84  90.065   7.959  -5.479
  638    HA   HIS  84           HA       HIS  84  92.460   9.464  -5.172
  639   1HB   HIS  84          2HB       HIS  84  89.880   9.472  -3.594
  640   2HB   HIS  84          3HB       HIS  84  91.177  10.630  -3.310
  641    HD1  HIS  84           HD1      HIS  84  89.827  12.653  -4.155
  642    HD2  HIS  84           HD2      HIS  84  90.194   9.632  -7.005
  643    HE1  HIS  84           HE1      HIS  84  88.973  13.618  -6.335
  644    H    TYR  85           HN       TYR  85  90.912   7.142  -2.926
  645    HA   TYR  85           HA       TYR  85  92.864   7.584  -0.843
  646   1HB   TYR  85          2HB       TYR  85  90.925   5.322  -1.371
  647   2HB   TYR  85          3HB       TYR  85  92.032   5.316  -0.005
  648    HD1  TYR  85           HD2      TYR  85  89.970   8.020  -1.603
  649    HD2  TYR  85           HD1      TYR  85  90.875   5.803   1.965
  650    HE1  TYR  85           HE2      TYR  85  88.416   9.453  -0.321
  651    HE2  TYR  85           HE1      TYR  85  89.311   7.242   3.250
  652    HH   TYR  85           HH       TYR  85  88.245  10.146   2.232
  653    H    GLN  86           HN       GLN  86  92.813   5.717  -3.754
  654    HA   GLN  86           HA       GLN  86  94.821   3.772  -3.111
  655   1HB   GLN  86          2HB       GLN  86  93.378   3.661  -5.138
  656   2HB   GLN  86          3HB       GLN  86  94.218   5.064  -5.790
  657   1HG   GLN  86          2HG       GLN  86  96.318   3.866  -5.851
  658   2HG   GLN  86          3HG       GLN  86  95.601   2.488  -5.013
  659   1HE2  GLN  86          HE22      GLN  86  94.415   3.134  -8.908
  660   2HE2  GLN  86          HE21      GLN  86  94.787   4.473  -7.933
  661    H    HIS  87           HN       HIS  87  94.984   7.102  -4.329
  662    HA   HIS  87           HA       HIS  87  97.939   6.962  -4.449
  663   1HB   HIS  87          2HB       HIS  87  96.037   9.262  -5.016
  664   2HB   HIS  87          3HB       HIS  87  97.783   9.303  -5.259
  665    HD1  HIS  87           HD1      HIS  87  94.627   8.132  -6.804
  666    HD2  HIS  87           HD2      HIS  87  98.710   7.490  -7.361
  667    HE1  HIS  87           HE1      HIS  87  94.876   6.999  -9.054
  668    H    THR  88           HN       THR  88  95.438   7.917  -2.283
  669    HA   THR  88           HA       THR  88  97.326   9.552  -0.660
  670    HB   THR  88           HB       THR  88  94.368   9.038  -0.213
  671    HG1  THR  88           HG1      THR  88  95.354  10.308  -2.156
  672   1HG2  THR  88          HG23      THR  88  96.347  10.094   1.467
  673   2HG2  THR  88          HG22      THR  88  95.501  11.503   0.827
  674   3HG2  THR  88          HG21      THR  88  94.601  10.245   1.675
  675    H    SER  89           HN       SER  89  98.003   8.871   1.364
  676    HA   SER  89           HA       SER  89  97.605   6.003   1.948
  677   1HB   SER  89          2HB       SER  89  99.877   6.908   2.060
  678   2HB   SER  89          3HB       SER  89  99.364   8.110   3.237
  679    HG   SER  89           HG       SER  89 100.371   5.989   3.950
  680    H    LEU  90           HN       LEU  90  96.209   5.287   3.502
  681    HA   LEU  90           HA       LEU  90  94.370   7.036   4.801
  682   1HB   LEU  90          2HB       LEU  90  95.127   4.149   5.252
  683   2HB   LEU  90          3HB       LEU  90  93.968   4.966   6.307
  684    HG   LEU  90           HG       LEU  90  92.692   5.651   4.254
  685   1HD1  LEU  90          HD13      LEU  90  94.825   3.931   3.016
  686   2HD1  LEU  90          HD12      LEU  90  93.262   4.137   2.234
  687   3HD1  LEU  90          HD11      LEU  90  94.288   5.536   2.533
  688   1HD2  LEU  90          HD22      LEU  90  92.570   3.293   5.658
  689   2HD2  LEU  90          HD21      LEU  90  91.422   3.758   4.400
  690   3HD2  LEU  90          HD23      LEU  90  92.781   2.706   4.009
  691    H    VAL  91           HN       VAL  91  97.575   6.052   5.708
  692    HA   VAL  91           HA       VAL  91  97.907   6.065   8.360
  693    HB   VAL  91           HB       VAL  91  99.740   6.489   6.702
  694   1HG1  VAL  91          HG11      VAL  91  98.809   9.358   6.995
  695   2HG1  VAL  91          HG13      VAL  91 100.276   8.843   6.166
  696   3HG1  VAL  91          HG12      VAL  91  98.699   8.383   5.529
  697   1HG2  VAL  91          HG23      VAL  91  99.884   6.809   9.288
  698   2HG2  VAL  91          HG22      VAL  91 101.180   7.467   8.288
  699   3HG2  VAL  91          HG21      VAL  91  99.922   8.533   8.911
  700    H    GLN  92           HN       GLN  92  96.700   8.920   6.628
  701    HA   GLN  92           HA       GLN  92  96.754  10.940   8.474
  702   1HB   GLN  92          2HB       GLN  92  94.317  10.146   6.857
  703   2HB   GLN  92          3HB       GLN  92  94.606  11.736   7.569
  704   1HG   GLN  92          2HG       GLN  92  96.699  11.929   6.230
  705   2HG   GLN  92          3HG       GLN  92  96.325  10.381   5.472
  706   1HE2  GLN  92          HE22      GLN  92  93.497  11.724   3.643
  707   2HE2  GLN  92          HE21      GLN  92  93.969  10.334   4.491
  708    H    HIS  93           HN       HIS  93  94.657  11.782   9.675
  709    HA   HIS  93           HA       HIS  93  93.293  11.583  11.565
  710   1HB   HIS  93          2HB       HIS  93  92.993   8.767  10.476
  711   2HB   HIS  93          3HB       HIS  93  92.080   9.392  11.841
  712    HD1  HIS  93           HD1      HIS  93  90.221  11.114  11.361
  713    HD2  HIS  93           HD2      HIS  93  92.249   9.875   7.936
  714    HE1  HIS  93           HE1      HIS  93  88.838  11.893   9.388
  715    H    ASN  94           HN       ASN  94  93.701   8.285  12.195
  716    HA   ASN  94           HA       ASN  94  94.990   8.699  14.696
  717   1HB   ASN  94          2HB       ASN  94  94.667   6.225  12.988
  718   2HB   ASN  94          3HB       ASN  94  95.366   6.187  14.603
  719   1HD2  ASN  94          HD22      ASN  94  91.631   5.638  14.825
  720   2HD2  ASN  94          HD21      ASN  94  92.854   4.869  13.937
  721    H    ASP  95           HN       ASP  95  96.357   8.950  11.639
  722    HA   ASP  95           HA       ASP  95  98.605   9.039  10.932
  723   1HB   ASP  95          2HB       ASP  95  98.704  10.583  12.917
  724   2HB   ASP  95          3HB       ASP  95  99.190   9.200  13.899
  725    H    SER  96           HN       SER  96  97.320   6.410  11.644
  726    HA   SER  96           HA       SER  96  99.859   4.901  11.809
  727   1HB   SER  96          2HB       SER  96  98.918   3.332  13.479
  728   2HB   SER  96          3HB       SER  96  99.024   4.968  14.124
  729    HG   SER  96           HG       SER  96  96.990   4.486  14.575
  730    H    LEU  97           HN       LEU  97  97.393   5.505   9.926
  731    HA   LEU  97           HA       LEU  97  96.782   2.654   9.274
  732   1HB   LEU  97          2HB       LEU  97  95.490   5.266   8.443
  733   2HB   LEU  97          3HB       LEU  97  95.113   3.724   7.671
  734    HG   LEU  97           HG       LEU  97  94.633   2.823  10.002
  735   1HD1  LEU  97          HD11      LEU  97  95.523   5.470  10.686
  736   2HD1  LEU  97          HD13      LEU  97  93.853   5.258  11.208
  737   3HD1  LEU  97          HD12      LEU  97  95.100   4.137  11.756
  738   1HD2  LEU  97          HD22      LEU  97  93.044   4.406   8.222
  739   2HD2  LEU  97          HD21      LEU  97  92.522   3.099   9.287
  740   3HD2  LEU  97          HD23      LEU  97  92.544   4.763   9.876
  741    H    ASN  98           HN       ASN  98  99.155   2.672   8.589
  742    HA   ASN  98           HA       ASN  98  99.810   4.163   6.173
  743   1HB   ASN  98          2HB       ASN  98 101.463   3.483   7.937
  744   2HB   ASN  98          3HB       ASN  98 101.284   1.816   7.380
  745   1HD2  ASN  98          HD22      ASN  98 102.889   4.482   4.673
  746   2HD2  ASN  98          HD21      ASN  98 101.637   4.998   5.700
  747    H    VAL  99           HN       VAL  99  98.172   3.499   4.716
  748    HA   VAL  99           HA       VAL  99  98.884   1.131   3.183
  749    HB   VAL  99           HB       VAL  99  97.474   0.116   4.962
  750   1HG1  VAL  99          HG12      VAL  99  95.364   2.000   3.870
  751   2HG1  VAL  99          HG11      VAL  99  95.066   0.722   5.040
  752   3HG1  VAL  99          HG13      VAL  99  96.092   2.089   5.471
  753   1HG2  VAL  99          HG22      VAL  99  97.459  -0.831   2.672
  754   2HG2  VAL  99          HG21      VAL  99  95.887  -1.020   3.452
  755   3HG2  VAL  99          HG23      VAL  99  96.126   0.240   2.241
  756    H    THR 100           HN       THR 100  97.596   1.014   1.207
  757    HA   THR 100           HA       THR 100  96.138   3.539   0.563
  758    HB   THR 100           HB       THR 100  97.388   2.603  -1.799
  759    HG1  THR 100           HG1      THR 100  99.558   3.192  -0.389
  760   1HG2  THR 100          HG23      THR 100  96.804   4.939  -1.185
  761   2HG2  THR 100          HG22      THR 100  98.126   4.939  -0.018
  762   3HG2  THR 100          HG21      THR 100  98.472   4.788  -1.744
  763    H    LEU 101           HN       LEU 101  94.203   3.140  -0.468
  764    HA   LEU 101           HA       LEU 101  93.298   0.393  -0.719
  765   1HB   LEU 101          2HB       LEU 101  92.090   2.901  -1.935
  766   2HB   LEU 101          3HB       LEU 101  91.263   1.364  -1.650
  767    HG   LEU 101           HG       LEU 101  92.380   3.247   0.440
  768   1HD1  LEU 101          HD13      LEU 101  89.999   3.423  -0.808
  769   2HD1  LEU 101          HD12      LEU 101  89.574   2.252   0.437
  770   3HD1  LEU 101          HD11      LEU 101  90.200   3.831   0.894
  771   1HD2  LEU 101          HD21      LEU 101  91.508   0.402   0.550
  772   2HD2  LEU 101          HD23      LEU 101  92.815   1.191   1.415
  773   3HD2  LEU 101          HD22      LEU 101  91.144   1.438   1.923
  774    H    ALA 102           HN       ALA 102  95.222  -0.236  -2.105
  775    HA   ALA 102           HA       ALA 102  94.747   0.476  -4.966
  776   1HB   ALA 102           HB2      ALA 102  96.999   1.055  -3.788
  777   2HB   ALA 102           HB1      ALA 102  97.331  -0.671  -3.936
  778   3HB   ALA 102           HB3      ALA 102  97.050   0.299  -5.381
  779    H    TYR 103           HN       TYR 103  94.548  -2.107  -2.721
  780    HA   TYR 103           HA       TYR 103  94.706  -4.034  -5.008
  781   1HB   TYR 103          2HB       TYR 103  96.476  -4.353  -3.297
  782   2HB   TYR 103          3HB       TYR 103  95.224  -4.617  -2.087
  783    HD1  TYR 103           HD2      TYR 103  96.727  -5.921  -5.202
  784    HD2  TYR 103           HD1      TYR 103  93.997  -6.710  -1.989
  785    HE1  TYR 103           HE2      TYR 103  96.579  -8.291  -5.904
  786    HE2  TYR 103           HE1      TYR 103  93.843  -9.078  -2.691
  787    HH   TYR 103           HH       TYR 103  95.920 -10.603  -4.481
  788    HA   PRO 104           HA       PRO 104  90.244  -4.149  -3.969
  789   1HB   PRO 104          2HB       PRO 104  90.328  -6.027  -6.270
  790   2HB   PRO 104          3HB       PRO 104  89.303  -4.612  -6.006
  791   1HG   PRO 104          2HG       PRO 104  91.312  -4.584  -7.766
  792   2HG   PRO 104          3HG       PRO 104  90.868  -3.151  -6.821
  793   1HD   PRO 104          2HD       PRO 104  93.196  -4.986  -6.468
  794   2HD   PRO 104          3HD       PRO 104  93.071  -3.237  -6.169
  795    H    VAL 105           HN       VAL 105  89.028  -5.784  -2.895
  796    HA   VAL 105           HA       VAL 105  90.525  -8.020  -1.845
  797    HB   VAL 105           HB       VAL 105  88.650  -6.866  -0.639
  798   1HG1  VAL 105          HG12      VAL 105  87.267  -7.209  -2.975
  799   2HG1  VAL 105          HG11      VAL 105  86.633  -8.545  -2.015
  800   3HG1  VAL 105          HG13      VAL 105  86.501  -6.889  -1.421
  801   1HG2  VAL 105          HG21      VAL 105  88.890  -9.816  -1.025
  802   2HG2  VAL 105          HG23      VAL 105  89.118  -8.850   0.433
  803   3HG2  VAL 105          HG22      VAL 105  87.490  -9.238  -0.121
  804    H    TYR 106           HN       TYR 106  88.155  -7.657  -4.458
  805    HA   TYR 106           HA       TYR 106  88.626 -10.531  -5.160
  806   1HB   TYR 106          2HB       TYR 106  86.184  -8.806  -5.460
  807   2HB   TYR 106          3HB       TYR 106  86.394 -10.281  -6.403
  808    HD1  TYR 106           HD1      TYR 106  87.323 -12.330  -4.834
  809    HD2  TYR 106           HD2      TYR 106  84.921  -9.012  -3.547
  810    HE1  TYR 106           HE1      TYR 106  86.487 -13.676  -2.926
  811    HE2  TYR 106           HE2      TYR 106  84.089 -10.354  -1.636
  812    HH   TYR 106           HH       TYR 106  83.807 -12.784  -1.089
  813    H    ALA 107           HN       ALA 107  90.522  -8.918  -6.140
  814    HA   ALA 107           HA       ALA 107  89.879  -7.638  -8.643
  815   1HB   ALA 107           HB3      ALA 107  92.104  -7.710  -7.075
  816   2HB   ALA 107           HB2      ALA 107  92.566  -8.848  -8.341
  817   3HB   ALA 107           HB1      ALA 107  92.124  -7.195  -8.764
  818    H    GLN 108           HN       GLN 108  89.118  -8.736 -10.398
  819    HA   GLN 108           HA       GLN 108  89.119 -11.566 -10.646
  820   1HB   GLN 108          2HB       GLN 108  87.601 -10.005 -11.878
  821   2HB   GLN 108          3HB       GLN 108  88.962  -9.551 -12.903
  822   1HG   GLN 108          2HG       GLN 108  89.206 -11.870 -13.649
  823   2HG   GLN 108          3HG       GLN 108  87.909 -12.376 -12.569
  824   1HE2  GLN 108          HE22      GLN 108  85.503 -11.730 -15.040
  825   2HE2  GLN 108          HE21      GLN 108  86.038 -12.716 -13.763
  826    H    GLN 109           HN       GLN 109  91.411  -9.139 -11.890
  827    HA   GLN 109           HA       GLN 109  92.892 -10.940 -13.546
  828   1HB   GLN 109          2HB       GLN 109  93.738  -8.428 -12.073
  829   2HB   GLN 109          3HB       GLN 109  94.788  -9.296 -13.192
  830   1HG   GLN 109          2HG       GLN 109  93.215  -8.951 -15.015
  831   2HG   GLN 109          3HG       GLN 109  92.047  -8.216 -13.917
  832   1HE2  GLN 109          HE22      GLN 109  95.482  -5.998 -14.279
  833   2HE2  GLN 109          HE21      GLN 109  95.581  -7.648 -13.894
  834    H    ARG 110           HN       ARG 110  93.259 -10.049 -10.117
  835    HA   ARG 110           HA       ARG 110  95.592 -11.656  -9.650
  836   1HB   ARG 110          2HB       ARG 110  93.427 -10.741  -7.736
  837   2HB   ARG 110          3HB       ARG 110  94.978 -11.417  -7.251
  838   1HG   ARG 110          2HG       ARG 110  94.666  -8.936  -8.968
  839   2HG   ARG 110          3HG       ARG 110  94.959  -8.914  -7.228
  840   1HD   ARG 110          2HD       ARG 110  96.986 -10.457  -7.791
  841   2HD   ARG 110          3HD       ARG 110  96.782  -9.844  -9.432
  842    HE   ARG 110           HE       ARG 110  96.819  -7.552  -7.900
  843   1HH1  ARG 110          HH21      ARG 110  98.817 -10.353  -8.211
  844   2HH1  ARG 110          HH22      ARG 110 100.282  -9.510  -7.843
  845   1HH2  ARG 110          HH11      ARG 110  98.725  -6.441  -7.417
  846   2HH2  ARG 110          HH12      ARG 110 100.231  -7.298  -7.402
  847    H    ARG 111           HN       ARG 111  92.139 -12.325  -9.535
  848    HA   ARG 111           HA       ARG 111  92.782 -15.214  -9.058
  849   1HB   ARG 111          2HB       ARG 111  90.399 -13.599  -8.098
  850   2HB   ARG 111          3HB       ARG 111  90.578 -15.342  -7.895
  851   1HG   ARG 111          2HG       ARG 111  92.662 -14.961  -6.602
  852   2HG   ARG 111          3HG       ARG 111  92.434 -13.219  -6.775
  853   1HD   ARG 111          2HD       ARG 111  91.553 -13.906  -4.613
  854   2HD   ARG 111          3HD       ARG 111  90.211 -13.442  -5.658
  855    HE   ARG 111           HE       ARG 111  90.393 -16.162  -6.068
  856   1HH1  ARG 111          HH21      ARG 111  90.244 -14.078  -3.334
  857   2HH1  ARG 111          HH22      ARG 111  89.381 -15.204  -2.341
  858   1HH2  ARG 111          HH11      ARG 111  89.212 -17.647  -4.799
  859   2HH2  ARG 111          HH12      ARG 111  88.793 -17.223  -3.172
   
  No H/Q in entry =         859
  Start of MODEL   26
    1   1H    GLU   1           HT3      GLU   1  93.545  -3.960 -18.014
    2   2H    GLU   1           HT2      GLU   1  93.304  -4.677 -19.533
    3   3H    GLU   1           HT1      GLU   1  94.869  -4.550 -18.888
    4    HA   GLU   1           HA       GLU   1  95.157  -2.508 -19.674
    5   1HB   GLU   1          2HB       GLU   1  93.984  -3.532 -21.612
    6   2HB   GLU   1          3HB       GLU   1  92.443  -2.959 -20.962
    7   1HG   GLU   1          2HG       GLU   1  93.239  -1.363 -22.629
    8   2HG   GLU   1          3HG       GLU   1  93.338  -0.625 -21.028
    9    H    ASP   2           HN       ASP   2  91.679  -2.697 -18.862
   10    HA   ASP   2           HA       ASP   2  91.666   0.089 -17.995
   11   1HB   ASP   2          2HB       ASP   2  89.355  -0.350 -17.328
   12   2HB   ASP   2          3HB       ASP   2  89.634  -1.037 -18.925
   13    H    LEU   3           HN       LEU   3  90.870   0.535 -15.640
   14    HA   LEU   3           HA       LEU   3  92.681  -0.958 -13.846
   15   1HB   LEU   3          2HB       LEU   3  90.980   1.510 -13.379
   16   2HB   LEU   3          3HB       LEU   3  92.121   0.838 -12.218
   17    HG   LEU   3           HG       LEU   3  92.949   1.652 -15.011
   18   1HD1  LEU   3          HD11      LEU   3  92.824   3.268 -12.457
   19   2HD1  LEU   3          HD13      LEU   3  93.905   3.690 -13.787
   20   3HD1  LEU   3          HD12      LEU   3  92.159   3.682 -14.039
   21   1HD2  LEU   3          HD22      LEU   3  94.218   0.304 -12.829
   22   2HD2  LEU   3          HD21      LEU   3  94.932   0.798 -14.365
   23   3HD2  LEU   3          HD23      LEU   3  94.964   1.896 -12.985
   24    HA   PRO   4           HA       PRO   4  89.517  -3.684 -12.215
   25   1HB   PRO   4          2HB       PRO   4  90.803  -3.143  -9.595
   26   2HB   PRO   4          3HB       PRO   4  90.513  -4.690 -10.404
   27   1HG   PRO   4          2HG       PRO   4  92.940  -3.482 -10.225
   28   2HG   PRO   4          3HG       PRO   4  92.489  -4.621 -11.498
   29   1HD   PRO   4          2HD       PRO   4  92.942  -1.732 -11.683
   30   2HD   PRO   4          3HD       PRO   4  92.840  -2.937 -12.981
   31    H    HIS   5           HN       HIS   5  90.178  -0.504 -11.034
   32    HA   HIS   5           HA       HIS   5  88.144  -0.300  -9.038
   33   1HB   HIS   5          2HB       HIS   5  89.372   1.837 -10.803
   34   2HB   HIS   5          3HB       HIS   5  88.464   2.133  -9.316
   35    HD1  HIS   5           HD1      HIS   5  89.523   0.340  -7.277
   36    HD2  HIS   5           HD2      HIS   5  92.067   1.872 -10.206
   37    HE1  HIS   5           HE1      HIS   5  91.877   0.128  -6.368
   38    H    HIS   6           HN       HIS   6  88.005  -0.463 -12.443
   39    HA   HIS   6           HA       HIS   6  85.608   1.031 -12.944
   40   1HB   HIS   6          2HB       HIS   6  86.899  -1.323 -14.345
   41   2HB   HIS   6          3HB       HIS   6  85.477  -0.481 -14.977
   42    HD1  HIS   6           HD1      HIS   6  87.461  -0.013 -16.932
   43    HD2  HIS   6           HD2      HIS   6  87.662   2.128 -13.362
   44    HE1  HIS   6           HE1      HIS   6  88.889   2.028 -17.399
   45    H    ASP   7           HN       ASP   7  86.219  -2.308 -11.933
   46    HA   ASP   7           HA       ASP   7  83.319  -2.877 -11.926
   47   1HB   ASP   7          2HB       ASP   7  85.756  -4.623 -11.514
   48   2HB   ASP   7          3HB       ASP   7  84.104  -5.213 -11.336
   49    H    GLU   8           HN       GLU   8  82.142  -2.855 -10.083
   50    HA   GLU   8           HA       GLU   8  83.312  -2.008  -7.571
   51   1HB   GLU   8          2HB       GLU   8  80.545  -2.962  -8.344
   52   2HB   GLU   8          3HB       GLU   8  80.955  -2.440  -6.715
   53   1HG   GLU   8          2HG       GLU   8  81.691  -0.249  -7.620
   54   2HG   GLU   8          3HG       GLU   8  81.197  -0.774  -9.230
   55    H    LYS   9           HN       LYS   9  82.335  -5.075  -8.950
   56    HA   LYS   9           HA       LYS   9  82.246  -6.640  -6.585
   57   1HB   LYS   9          2HB       LYS   9  82.742  -8.544  -8.117
   58   2HB   LYS   9          3HB       LYS   9  81.468  -7.483  -8.733
   59   1HG   LYS   9          2HG       LYS   9  82.672  -6.948 -10.554
   60   2HG   LYS   9          3HG       LYS   9  84.067  -6.519  -9.572
   61   1HD   LYS   9          2HD       LYS   9  83.557  -9.434  -9.869
   62   2HD   LYS   9          3HD       LYS   9  84.054  -8.585 -11.327
   63   1HE   LYS   9          2HE       LYS   9  86.137  -8.128 -10.534
   64   2HE   LYS   9          3HE       LYS   9  85.582  -7.910  -8.874
   65   1HZ   LYS   9           HZ1      LYS   9  85.780 -10.533 -10.252
   66   2HZ   LYS   9           HZ3      LYS   9  86.967  -9.909  -9.215
   67   3HZ   LYS   9           HZ2      LYS   9  85.419 -10.267  -8.612
   68    H    THR  10           HN       THR  10  84.986  -5.335  -8.329
   69    HA   THR  10           HA       THR  10  86.931  -7.186  -7.297
   70    HB   THR  10           HB       THR  10  88.595  -5.454  -7.988
   71    HG1  THR  10           HG1      THR  10  87.765  -3.593  -8.996
   72   1HG2  THR  10          HG22      THR  10  86.361  -6.075  -9.931
   73   2HG2  THR  10          HG21      THR  10  87.963  -5.504 -10.399
   74   3HG2  THR  10          HG23      THR  10  87.783  -7.070  -9.609
   75    H    TRP  11           HN       TRP  11  85.465  -4.297  -5.959
   76    HA   TRP  11           HA       TRP  11  87.025  -4.801  -3.457
   77   1HB   TRP  11          2HB       TRP  11  86.473  -2.156  -3.234
   78   2HB   TRP  11          3HB       TRP  11  87.976  -2.766  -3.933
   79    HD1  TRP  11           HD1      TRP  11  87.950  -3.097  -6.650
   80    HE1  TRP  11           HE1      TRP  11  86.796  -1.702  -8.472
   81    HE3  TRP  11           HE3      TRP  11  84.542  -0.617  -3.788
   82    HZ2  TRP  11           HZ2      TRP  11  84.716   0.272  -8.673
   83    HZ3  TRP  11           HZ3      TRP  11  82.992   1.024  -4.817
   84    HH2  TRP  11           HH2      TRP  11  83.077   1.469  -7.252
   85    H    ASN  12           HN       ASN  12  83.999  -4.036  -4.999
   86    HA   ASN  12           HA       ASN  12  82.616  -3.382  -2.514
   87   1HB   ASN  12          2HB       ASN  12  81.961  -2.502  -4.782
   88   2HB   ASN  12          3HB       ASN  12  81.372  -4.123  -5.164
   89   1HD2  ASN  12          HD22      ASN  12  78.272  -3.092  -3.781
   90   2HD2  ASN  12          HD21      ASN  12  79.098  -3.604  -5.174
   91    H    VAL  13           HN       VAL  13  81.800  -4.729  -1.122
   92    HA   VAL  13           HA       VAL  13  81.006  -7.462  -1.997
   93    HB   VAL  13           HB       VAL  13  82.548  -6.761   0.523
   94   1HG1  VAL  13          HG11      VAL  13  80.800  -8.964  -0.135
   95   2HG1  VAL  13          HG13      VAL  13  82.448  -9.551   0.086
   96   3HG1  VAL  13          HG12      VAL  13  81.651  -8.644   1.373
   97   1HG2  VAL  13          HG22      VAL  13  83.301  -8.297  -1.984
   98   2HG2  VAL  13          HG21      VAL  13  84.016  -6.790  -1.416
   99   3HG2  VAL  13          HG23      VAL  13  84.270  -8.284  -0.516
  100    H    GLY  14           HN       GLY  14  79.487  -5.007  -1.585
  101   1HA   GLY  14          2HA       GLY  14  78.199  -4.594   0.816
  102   2HA   GLY  14          3HA       GLY  14  77.340  -4.554  -0.725
  103    H    SER  15           HN       SER  15  75.801  -5.359   1.243
  104    HA   SER  15           HA       SER  15  74.424  -7.118   1.953
  105   1HB   SER  15          2HB       SER  15  74.373  -7.624  -0.506
  106   2HB   SER  15          3HB       SER  15  75.775  -8.663  -0.285
  107    HG   SER  15           HG       SER  15  74.227  -9.516   1.517
  108    H    SER  16           HN       SER  16  77.234  -6.744   2.927
  109    HA   SER  16           HA       SER  16  77.589  -9.507   4.002
  110   1HB   SER  16          2HB       SER  16  79.762  -7.561   3.182
  111   2HB   SER  16          3HB       SER  16  80.046  -9.072   4.042
  112    HG   SER  16           HG       SER  16  78.620  -9.850   2.105
  113    H    ASN  17           HN       ASN  17  77.841  -9.616   6.186
  114    HA   ASN  17           HA       ASN  17  77.366  -7.192   7.746
  115   1HB   ASN  17          2HB       ASN  17  77.277  -8.740   9.653
  116   2HB   ASN  17          3HB       ASN  17  76.313  -9.360   8.316
  117   1HD2  ASN  17          HD22      ASN  17  78.079 -12.388   8.486
  118   2HD2  ASN  17          HD21      ASN  17  76.577 -11.601   8.435
  119    H    ARG  18           HN       ARG  18  78.787  -6.788   9.727
  120    HA   ARG  18           HA       ARG  18  81.466  -6.267   8.882
  121   1HB   ARG  18          2HB       ARG  18  80.198  -6.287  11.626
  122   2HB   ARG  18          3HB       ARG  18  81.857  -5.770  11.330
  123   1HG   ARG  18          2HG       ARG  18  81.009  -4.104   9.695
  124   2HG   ARG  18          3HG       ARG  18  79.364  -4.565  10.106
  125   1HD   ARG  18          2HD       ARG  18  79.896  -3.999  12.507
  126   2HD   ARG  18          3HD       ARG  18  81.429  -3.331  11.951
  127    HE   ARG  18           HE       ARG  18  78.899  -2.005  11.883
  128   1HH1  ARG  18          HH21      ARG  18  81.612  -2.640   9.834
  129   2HH1  ARG  18          HH22      ARG  18  81.243  -1.350   8.741
  130   1HH2  ARG  18          HH11      ARG  18  78.420  -0.328  10.464
  131   2HH2  ARG  18          HH12      ARG  18  79.450  -0.042   9.102
  132    H    ASN  19           HN       ASN  19  80.020  -8.943  10.657
  133    HA   ASN  19           HA       ASN  19  82.461 -10.086  11.623
  134   1HB   ASN  19          2HB       ASN  19  79.793 -11.351  10.930
  135   2HB   ASN  19          3HB       ASN  19  81.117 -12.227  11.698
  136   1HD2  ASN  19          HD22      ASN  19  80.852  -9.907  14.638
  137   2HD2  ASN  19          HD21      ASN  19  82.069 -10.225  13.498
  138    H    LYS  20           HN       LYS  20  80.575 -10.686   8.653
  139    HA   LYS  20           HA       LYS  20  82.318 -12.665   7.558
  140   1HB   LYS  20          2HB       LYS  20  80.018 -12.134   6.693
  141   2HB   LYS  20          3HB       LYS  20  80.666 -10.631   6.034
  142   1HG   LYS  20          2HG       LYS  20  82.187 -11.839   4.587
  143   2HG   LYS  20          3HG       LYS  20  81.747 -13.373   5.332
  144   1HD   LYS  20          2HD       LYS  20  79.609 -11.668   4.096
  145   2HD   LYS  20          3HD       LYS  20  80.626 -12.674   3.062
  146   1HE   LYS  20          2HE       LYS  20  79.275 -13.816   5.506
  147   2HE   LYS  20          3HE       LYS  20  78.438 -13.722   3.958
  148   1HZ   LYS  20           HZ1      LYS  20  80.664 -14.795   3.124
  149   2HZ   LYS  20           HZ3      LYS  20  80.752 -15.340   4.726
  150   3HZ   LYS  20           HZ2      LYS  20  79.415 -15.751   3.764
  151    H    ALA  21           HN       ALA  21  82.285  -9.119   7.309
  152    HA   ALA  21           HA       ALA  21  84.360  -8.889   5.382
  153   1HB   ALA  21           HB3      ALA  21  83.484  -7.041   7.621
  154   2HB   ALA  21           HB2      ALA  21  84.723  -6.599   6.444
  155   3HB   ALA  21           HB1      ALA  21  83.079  -6.931   5.910
  156    H    GLU  22           HN       GLU  22  84.502  -9.260   8.918
  157    HA   GLU  22           HA       GLU  22  87.300  -8.810   9.220
  158   1HB   GLU  22          2HB       GLU  22  85.559  -9.099  11.064
  159   2HB   GLU  22          3HB       GLU  22  85.684 -10.835  10.781
  160   1HG   GLU  22          2HG       GLU  22  87.985 -10.876  11.409
  161   2HG   GLU  22          3HG       GLU  22  88.102  -9.117  11.351
  162    H    ASN  23           HN       ASN  23  85.480 -11.783   8.496
  163    HA   ASN  23           HA       ASN  23  87.708 -13.561   8.377
  164   1HB   ASN  23          2HB       ASN  23  85.016 -13.598   6.976
  165   2HB   ASN  23          3HB       ASN  23  86.169 -14.930   6.903
  166   1HD2  ASN  23          HD22      ASN  23  83.729 -14.767  10.034
  167   2HD2  ASN  23          HD21      ASN  23  83.447 -14.007   8.540
  168    H    LEU  24           HN       LEU  24  86.148 -11.449   6.015
  169    HA   LEU  24           HA       LEU  24  87.826 -12.286   3.802
  170   1HB   LEU  24          2HB       LEU  24  86.047  -9.866   4.224
  171   2HB   LEU  24          3HB       LEU  24  86.919 -10.183   2.720
  172    HG   LEU  24           HG       LEU  24  84.931 -12.078   4.013
  173   1HD1  LEU  24          HD13      LEU  24  84.184  -9.816   2.839
  174   2HD1  LEU  24          HD12      LEU  24  84.524 -10.731   1.367
  175   3HD1  LEU  24          HD11      LEU  24  83.325 -11.323   2.515
  176   1HD2  LEU  24          HD22      LEU  24  86.780 -12.213   1.675
  177   2HD2  LEU  24          HD21      LEU  24  86.261 -13.495   2.770
  178   3HD2  LEU  24          HD23      LEU  24  85.181 -12.935   1.491
  179    H    LEU  25           HN       LEU  25  87.986  -9.816   6.307
  180    HA   LEU  25           HA       LEU  25  90.360  -8.573   5.053
  181   1HB   LEU  25          2HB       LEU  25  88.880  -8.049   7.648
  182   2HB   LEU  25          3HB       LEU  25  90.307  -7.154   7.148
  183    HG   LEU  25           HG       LEU  25  88.071  -7.359   5.182
  184   1HD1  LEU  25          HD11      LEU  25  87.080  -6.839   7.493
  185   2HD1  LEU  25          HD13      LEU  25  87.996  -5.334   7.428
  186   3HD1  LEU  25          HD12      LEU  25  86.754  -5.664   6.221
  187   1HD2  LEU  25          HD21      LEU  25  90.165  -5.328   5.993
  188   2HD2  LEU  25          HD23      LEU  25  89.928  -6.100   4.422
  189   3HD2  LEU  25          HD22      LEU  25  88.796  -4.870   4.981
  190    H    ARG  26           HN       ARG  26  89.626 -11.177   7.065
  191    HA   ARG  26           HA       ARG  26  92.155 -11.075   8.578
  192   1HB   ARG  26          2HB       ARG  26  89.689 -12.780   8.628
  193   2HB   ARG  26          3HB       ARG  26  91.197 -13.496   9.212
  194   1HG   ARG  26          2HG       ARG  26  91.476 -11.587  10.776
  195   2HG   ARG  26          3HG       ARG  26  89.947 -10.914  10.205
  196   1HD   ARG  26          2HD       ARG  26  88.777 -12.974  10.948
  197   2HD   ARG  26          3HD       ARG  26  90.303 -13.615  11.547
  198    HE   ARG  26           HE       ARG  26  90.043 -11.154  12.821
  199   1HH1  ARG  26          HH21      ARG  26  88.199 -14.057  12.494
  200   2HH1  ARG  26          HH22      ARG  26  87.376 -13.860  14.007
  201   1HH2  ARG  26          HH11      ARG  26  88.981 -10.891  14.804
  202   2HH2  ARG  26          HH12      ARG  26  87.811 -12.066  15.311
  203    H    GLY  27           HN       GLY  27  93.982 -11.850   7.673
  204   1HA   GLY  27          2HA       GLY  27  95.282 -13.624   6.651
  205   2HA   GLY  27          3HA       GLY  27  93.813 -14.207   5.868
  206    H    LYS  28           HN       LYS  28  93.593 -10.996   5.473
  207    HA   LYS  28           HA       LYS  28  94.635 -11.143   2.737
  208   1HB   LYS  28          2HB       LYS  28  93.097  -9.010   4.235
  209   2HB   LYS  28          3HB       LYS  28  93.594  -8.855   2.553
  210   1HG   LYS  28          2HG       LYS  28  91.794 -11.016   3.683
  211   2HG   LYS  28          3HG       LYS  28  91.281  -9.649   2.691
  212   1HD   LYS  28          2HD       LYS  28  93.277 -10.736   1.154
  213   2HD   LYS  28          3HD       LYS  28  92.565 -12.175   1.885
  214   1HE   LYS  28          2HE       LYS  28  90.343 -11.488   1.108
  215   2HE   LYS  28          3HE       LYS  28  91.030 -10.006   0.433
  216   1HZ   LYS  28           HZ1      LYS  28  92.093 -12.639  -0.347
  217   2HZ   LYS  28           HZ3      LYS  28  90.707 -12.021  -1.103
  218   3HZ   LYS  28           HZ2      LYS  28  92.168 -11.163  -1.185
  219    H    ARG  29           HN       ARG  29  96.169  -9.692   1.917
  220    HA   ARG  29           HA       ARG  29  98.257  -8.936   3.826
  221   1HB   ARG  29          2HB       ARG  29  98.083  -8.601   0.820
  222   2HB   ARG  29          3HB       ARG  29  99.524  -8.315   1.789
  223   1HG   ARG  29          2HG       ARG  29  98.046 -10.953   1.686
  224   2HG   ARG  29          3HG       ARG  29  99.465 -10.583   0.707
  225   1HD   ARG  29          2HD       ARG  29 100.575  -9.969   2.984
  226   2HD   ARG  29          3HD       ARG  29  99.273 -10.918   3.700
  227    HE   ARG  29           HE       ARG  29 101.616 -11.981   2.480
  228   1HH1  ARG  29          HH21      ARG  29  98.195 -12.376   2.440
  229   2HH1  ARG  29          HH22      ARG  29  98.256 -13.940   1.701
  230   1HH2  ARG  29          HH11      ARG  29 101.718 -14.009   1.526
  231   2HH2  ARG  29          HH12      ARG  29 100.257 -14.872   1.189
  232    H    ASP  30           HN       ASP  30  99.134  -6.769   4.000
  233    HA   ASP  30           HA       ASP  30  97.239  -4.691   4.349
  234   1HB   ASP  30          2HB       ASP  30  99.605  -4.775   5.274
  235   2HB   ASP  30          3HB       ASP  30 100.172  -4.289   3.675
  236    H    GLY  31           HN       GLY  31  96.460  -3.097   2.957
  237   1HA   GLY  31          2HA       GLY  31  96.588  -1.757   0.911
  238   2HA   GLY  31          3HA       GLY  31  97.542  -3.051   0.175
  239    H    THR  32           HN       THR  32  95.478  -4.919   1.617
  240    HA   THR  32           HA       THR  32  93.652  -5.033  -0.693
  241    HB   THR  32           HB       THR  32  93.762  -6.840   1.726
  242    HG1  THR  32           HG1      THR  32  95.218  -8.007   0.677
  243   1HG2  THR  32          HG22      THR  32  91.966  -6.633  -0.466
  244   2HG2  THR  32          HG21      THR  32  92.915  -8.098  -0.702
  245   3HG2  THR  32          HG23      THR  32  92.005  -7.868   0.789
  246    H    PHE  33           HN       PHE  33  91.701  -3.998  -0.625
  247    HA   PHE  33           HA       PHE  33  90.365  -3.832   2.019
  248   1HB   PHE  33          2HB       PHE  33  90.238  -1.575   2.075
  249   2HB   PHE  33          3HB       PHE  33  91.664  -1.664   1.050
  250    HD1  PHE  33           HD1      PHE  33  91.327  -1.519  -1.494
  251    HD2  PHE  33           HD2      PHE  33  88.221  -0.705   1.350
  252    HE1  PHE  33           HE1      PHE  33  90.030  -0.296  -3.221
  253    HE2  PHE  33           HE2      PHE  33  86.944   0.498  -0.396
  254    HZ   PHE  33           HZ       PHE  33  87.839   0.698  -2.666
  255    H    LEU  34           HN       LEU  34  88.038  -3.124   1.781
  256    HA   LEU  34           HA       LEU  34  86.889  -3.830  -0.868
  257   1HB   LEU  34          2HB       LEU  34  85.364  -5.464   0.101
  258   2HB   LEU  34          3HB       LEU  34  87.021  -5.921   0.473
  259    HG   LEU  34           HG       LEU  34  85.932  -4.166   2.526
  260   1HD1  LEU  34          HD12      LEU  34  84.399  -6.616   1.693
  261   2HD1  LEU  34          HD11      LEU  34  84.475  -6.173   3.397
  262   3HD1  LEU  34          HD13      LEU  34  83.779  -5.053   2.226
  263   1HD2  LEU  34          HD21      LEU  34  87.116  -6.955   2.412
  264   2HD2  LEU  34          HD23      LEU  34  87.902  -5.472   2.957
  265   3HD2  LEU  34          HD22      LEU  34  86.617  -6.197   3.924
  266    H    VAL  35           HN       VAL  35  84.652  -3.147  -1.105
  267    HA   VAL  35           HA       VAL  35  83.938  -0.958   0.791
  268    HB   VAL  35           HB       VAL  35  83.304  -1.380  -2.148
  269   1HG1  VAL  35          HG12      VAL  35  81.849   0.116  -0.076
  270   2HG1  VAL  35          HG11      VAL  35  82.286   1.082  -1.488
  271   3HG1  VAL  35          HG13      VAL  35  81.323  -0.385  -1.683
  272   1HG2  VAL  35          HG22      VAL  35  84.786   0.727  -0.555
  273   2HG2  VAL  35          HG21      VAL  35  85.453  -0.350  -1.781
  274   3HG2  VAL  35          HG23      VAL  35  84.338   0.936  -2.247
  275    H    ARG  36           HN       ARG  36  82.207  -1.334   2.070
  276    HA   ARG  36           HA       ARG  36  80.055  -3.152   1.105
  277   1HB   ARG  36          2HB       ARG  36  79.988  -4.182   3.407
  278   2HB   ARG  36          3HB       ARG  36  81.446  -4.573   2.496
  279   1HG   ARG  36          2HG       ARG  36  82.467  -3.914   4.440
  280   2HG   ARG  36          3HG       ARG  36  82.296  -2.323   3.704
  281   1HD   ARG  36          2HD       ARG  36  81.498  -2.297   6.031
  282   2HD   ARG  36          3HD       ARG  36  80.169  -1.994   4.913
  283    HE   ARG  36           HE       ARG  36  80.075  -4.727   5.296
  284   1HH1  ARG  36          HH21      ARG  36  80.173  -1.905   7.260
  285   2HH1  ARG  36          HH22      ARG  36  79.285  -2.617   8.570
  286   1HH2  ARG  36          HH11      ARG  36  78.919  -5.687   6.975
  287   2HH2  ARG  36          HH12      ARG  36  78.568  -4.773   8.405
  288    H    GLU  37           HN       GLU  37  78.178  -3.006   2.961
  289    HA   GLU  37           HA       GLU  37  77.786  -0.082   3.328
  290   1HB   GLU  37          2HB       GLU  37  75.919  -1.001   2.198
  291   2HB   GLU  37          3HB       GLU  37  75.929  -2.459   3.193
  292   1HG   GLU  37          2HG       GLU  37  75.090  -1.270   5.090
  293   2HG   GLU  37          3HG       GLU  37  75.354   0.286   4.312
  294    H    SER  38           HN       SER  38  76.732   0.563   5.458
  295    HA   SER  38           HA       SER  38  78.193  -0.722   7.653
  296   1HB   SER  38          2HB       SER  38  75.971   1.348   7.766
  297   2HB   SER  38          3HB       SER  38  77.035   0.899   9.096
  298    HG   SER  38           HG       SER  38  77.527   2.830   7.633
  299    H    SER  39           HN       SER  39  76.458  -2.271   6.042
  300    HA   SER  39           HA       SER  39  74.955  -3.994   6.201
  301   1HB   SER  39          2HB       SER  39  75.054  -3.365   9.175
  302   2HB   SER  39          3HB       SER  39  74.349  -4.812   8.459
  303    HG   SER  39           HG       SER  39  76.922  -4.264   9.027
  304    H    LYS  40           HN       LYS  40  74.324  -0.829   7.277
  305    HA   LYS  40           HA       LYS  40  71.389  -1.297   7.356
  306   1HB   LYS  40          2HB       LYS  40  72.413   0.107   9.157
  307   2HB   LYS  40          3HB       LYS  40  72.929   1.255   7.916
  308   1HG   LYS  40          2HG       LYS  40  70.672   1.787   7.335
  309   2HG   LYS  40          3HG       LYS  40  70.041   0.420   8.251
  310   1HD   LYS  40          2HD       LYS  40  69.690   2.466   9.536
  311   2HD   LYS  40          3HD       LYS  40  70.899   1.474  10.348
  312   1HE   LYS  40          2HE       LYS  40  72.701   2.810   9.372
  313   2HE   LYS  40          3HE       LYS  40  71.535   3.764   8.466
  314   1HZ   LYS  40           HZ3      LYS  40  71.400   3.566  11.411
  315   2HZ   LYS  40           HZ2      LYS  40  72.421   4.694  10.652
  316   3HZ   LYS  40           HZ1      LYS  40  70.742   4.756  10.396
  317    H    GLN  41           HN       GLN  41  70.229  -0.896   5.553
  318    HA   GLN  41           HA       GLN  41  71.300  -0.301   3.052
  319   1HB   GLN  41          2HB       GLN  41  69.005  -1.159   3.442
  320   2HB   GLN  41          3HB       GLN  41  68.523   0.445   4.004
  321   1HG   GLN  41          2HG       GLN  41  69.147   1.407   1.827
  322   2HG   GLN  41          3HG       GLN  41  69.652  -0.183   1.259
  323   1HE2  GLN  41          HE22      GLN  41  66.368  -1.233   0.494
  324   2HE2  GLN  41          HE21      GLN  41  68.019  -1.621   0.505
  325    H    GLY  42           HN       GLY  42  71.925   1.514   1.994
  326   1HA   GLY  42          2HA       GLY  42  71.924   3.833   1.451
  327   2HA   GLY  42          3HA       GLY  42  71.043   4.166   2.941
  328    H    CYS  43           HN       CYS  43  73.544   2.096   3.708
  329    HA   CYS  43           HA       CYS  43  75.244   4.437   4.452
  330   1HB   CYS  43          2HB       CYS  43  74.904   1.767   5.840
  331   2HB   CYS  43          3HB       CYS  43  76.059   3.005   6.331
  332    HG   CYS  43           HG       CYS  43  73.905   4.620   6.634
  333    H    TYR  44           HN       TYR  44  77.546   4.211   4.228
  334    HA   TYR  44           HA       TYR  44  78.420   1.851   2.627
  335   1HB   TYR  44          2HB       TYR  44  78.996   4.763   2.027
  336   2HB   TYR  44          3HB       TYR  44  79.835   3.420   1.259
  337    HD1  TYR  44           HD1      TYR  44  78.666   1.909  -0.292
  338    HD2  TYR  44           HD2      TYR  44  76.652   5.241   1.529
  339    HE1  TYR  44           HE1      TYR  44  76.812   1.680  -1.921
  340    HE2  TYR  44           HE2      TYR  44  74.798   5.009  -0.104
  341    HH   TYR  44           HH       TYR  44  74.657   3.973  -2.593
  342    H    ALA  45           HN       ALA  45  80.654   1.298   2.868
  343    HA   ALA  45           HA       ALA  45  82.325   2.882   4.678
  344   1HB   ALA  45           HB1      ALA  45  80.929   0.387   5.538
  345   2HB   ALA  45           HB3      ALA  45  82.598   0.609   6.062
  346   3HB   ALA  45           HB2      ALA  45  81.372   1.805   6.485
  347    H    CYS  46           HN       CYS  46  84.486   2.509   4.200
  348    HA   CYS  46           HA       CYS  46  85.037   0.216   2.346
  349   1HB   CYS  46          2HB       CYS  46  86.677   2.751   2.737
  350   2HB   CYS  46          3HB       CYS  46  87.016   1.462   1.569
  351    HG   CYS  46           HG       CYS  46  84.688   2.076   0.414
  352    H    SER  47           HN       SER  47  85.999  -1.454   3.390
  353    HA   SER  47           HA       SER  47  87.503  -0.839   5.886
  354   1HB   SER  47          2HB       SER  47  86.338  -3.423   4.803
  355   2HB   SER  47          3HB       SER  47  87.290  -3.317   6.283
  356    HG   SER  47           HG       SER  47  84.847  -3.118   6.344
  357    H    VAL  48           HN       VAL  48  89.689  -1.166   5.993
  358    HA   VAL  48           HA       VAL  48  90.968  -2.629   3.726
  359    HB   VAL  48           HB       VAL  48  91.410  -0.301   3.283
  360   1HG1  VAL  48          HG11      VAL  48  91.144  -0.078   6.099
  361   2HG1  VAL  48          HG13      VAL  48  92.754   0.513   5.686
  362   3HG1  VAL  48          HG12      VAL  48  91.328   1.228   4.930
  363   1HG2  VAL  48          HG23      VAL  48  93.375  -1.923   3.264
  364   2HG2  VAL  48          HG22      VAL  48  93.804  -0.221   3.431
  365   3HG2  VAL  48          HG21      VAL  48  93.808  -1.275   4.847
  366    H    VAL  49           HN       VAL  49  93.111  -3.472   4.275
  367    HA   VAL  49           HA       VAL  49  93.293  -4.108   7.190
  368    HB   VAL  49           HB       VAL  49  94.284  -5.611   4.762
  369   1HG1  VAL  49          HG11      VAL  49  94.932  -5.887   7.686
  370   2HG1  VAL  49          HG13      VAL  49  94.966  -7.298   6.626
  371   3HG1  VAL  49          HG12      VAL  49  96.029  -5.929   6.303
  372   1HG2  VAL  49          HG23      VAL  49  92.193  -6.082   6.878
  373   2HG2  VAL  49          HG22      VAL  49  92.006  -6.136   5.127
  374   3HG2  VAL  49          HG21      VAL  49  92.873  -7.425   5.962
  375    H    VAL  50           HN       VAL  50  95.187  -3.539   8.274
  376    HA   VAL  50           HA       VAL  50  97.321  -2.339   6.560
  377    HB   VAL  50           HB       VAL  50  96.328  -1.454   9.284
  378   1HG1  VAL  50          HG11      VAL  50  98.882  -0.961   7.826
  379   2HG1  VAL  50          HG13      VAL  50  98.117   0.443   8.572
  380   3HG1  VAL  50          HG12      VAL  50  98.559  -0.949   9.560
  381   1HG2  VAL  50          HG22      VAL  50  96.049  -0.539   6.476
  382   2HG2  VAL  50          HG21      VAL  50  94.934  -0.367   7.825
  383   3HG2  VAL  50          HG23      VAL  50  96.308   0.725   7.679
  384    H    ASP  51           HN       ASP  51  99.470  -2.630   7.283
  385    HA   ASP  51           HA       ASP  51 100.208  -5.147   8.226
  386   1HB   ASP  51          2HB       ASP  51 101.741  -3.431   7.168
  387   2HB   ASP  51          3HB       ASP  51 101.780  -2.613   8.732
  388    H    GLY  52           HN       GLY  52  98.899  -2.562   9.893
  389   1HA   GLY  52          2HA       GLY  52  99.917  -3.465  12.517
  390   2HA   GLY  52          3HA       GLY  52  98.959  -2.010  12.228
  391    H    GLU  53           HN       GLU  53  96.679  -2.729  11.114
  392    HA   GLU  53           HA       GLU  53  95.591  -5.224  12.186
  393   1HB   GLU  53          2HB       GLU  53  93.953  -4.222  13.714
  394   2HB   GLU  53          3HB       GLU  53  95.596  -3.860  14.253
  395   1HG   GLU  53          2HG       GLU  53  95.465  -1.615  13.429
  396   2HG   GLU  53          3HG       GLU  53  93.990  -1.962  12.527
  397    H    VAL  54           HN       VAL  54  93.059  -5.111  11.969
  398    HA   VAL  54           HA       VAL  54  92.547  -4.122   9.246
  399    HB   VAL  54           HB       VAL  54  91.797  -6.399   9.913
  400   1HG1  VAL  54          HG12      VAL  54  90.959  -5.061  12.241
  401   2HG1  VAL  54          HG11      VAL  54  89.467  -5.527  11.418
  402   3HG1  VAL  54          HG13      VAL  54  90.666  -6.752  11.837
  403   1HG2  VAL  54          HG22      VAL  54  89.587  -4.406   9.312
  404   2HG2  VAL  54          HG21      VAL  54  90.636  -5.180   8.123
  405   3HG2  VAL  54          HG23      VAL  54  89.482  -6.146   9.042
  406    H    LYS  55           HN       LYS  55  91.167  -2.437   8.766
  407    HA   LYS  55           HA       LYS  55  89.880  -1.086  11.109
  408   1HB   LYS  55          2HB       LYS  55  91.213   0.225   8.720
  409   2HB   LYS  55          3HB       LYS  55  90.354   1.075  10.005
  410   1HG   LYS  55          2HG       LYS  55  92.282   1.132  11.172
  411   2HG   LYS  55          3HG       LYS  55  92.177  -0.619  11.323
  412   1HD   LYS  55          2HD       LYS  55  93.392  -0.911   9.227
  413   2HD   LYS  55          3HD       LYS  55  93.440   0.838   8.986
  414   1HE   LYS  55          2HE       LYS  55  94.969  -0.844  10.942
  415   2HE   LYS  55          3HE       LYS  55  95.531   0.495   9.948
  416   1HZ   LYS  55           HZ1      LYS  55  94.120   1.966  11.356
  417   2HZ   LYS  55           HZ3      LYS  55  93.857   0.647  12.391
  418   3HZ   LYS  55           HZ2      LYS  55  95.429   1.256  12.172
  419    H    HIS  56           HN       HIS  56  87.989   0.271  10.480
  420    HA   HIS  56           HA       HIS  56  86.647  -0.713   7.988
  421   1HB   HIS  56          2HB       HIS  56  85.385  -0.273  10.710
  422   2HB   HIS  56          3HB       HIS  56  84.527  -0.770   9.251
  423    HD1  HIS  56           HD1      HIS  56  85.978  -3.005   8.094
  424    HD2  HIS  56           HD2      HIS  56  85.889  -2.501  12.231
  425    HE1  HIS  56           HE1      HIS  56  86.506  -5.268   9.103
  426    H    CYS  57           HN       CYS  57  87.416   1.427   7.074
  427    HA   CYS  57           HA       CYS  57  86.643   3.947   8.188
  428   1HB   CYS  57          2HB       CYS  57  87.025   3.188   5.267
  429   2HB   CYS  57          3HB       CYS  57  86.887   4.835   5.862
  430    HG   CYS  57           HG       CYS  57  89.131   4.479   7.184
  431    H    VAL  58           HN       VAL  58  84.754   5.200   7.880
  432    HA   VAL  58           HA       VAL  58  82.466   3.641   6.775
  433    HB   VAL  58           HB       VAL  58  82.496   4.141   9.268
  434   1HG1  VAL  58          HG12      VAL  58  83.348   6.567   8.663
  435   2HG1  VAL  58          HG11      VAL  58  81.623   6.912   8.509
  436   3HG1  VAL  58          HG13      VAL  58  82.272   6.326  10.044
  437   1HG2  VAL  58          HG21      VAL  58  80.227   5.254   7.585
  438   2HG2  VAL  58          HG23      VAL  58  80.409   3.575   8.096
  439   3HG2  VAL  58          HG22      VAL  58  80.103   4.835   9.294
  440    H    ILE  59           HN       ILE  59  81.347   4.499   5.149
  441    HA   ILE  59           HA       ILE  59  81.660   7.408   4.554
  442    HB   ILE  59           HB       ILE  59  81.393   5.084   2.622
  443   1HG1  ILE  59          HG12      ILE  59  83.642   6.505   1.935
  444   2HG1  ILE  59          HG11      ILE  59  83.655   6.646   3.689
  445   1HG2  ILE  59          HG21      ILE  59  80.164   7.182   1.953
  446   2HG2  ILE  59          HG23      ILE  59  81.708   8.033   2.002
  447   3HG2  ILE  59          HG22      ILE  59  81.462   6.726   0.847
  448   1HD1  ILE  59          HD12      ILE  59  83.216   3.967   2.369
  449   2HD1  ILE  59          HD11      ILE  59  84.843   4.600   2.607
  450   3HD1  ILE  59          HD13      ILE  59  83.800   4.317   3.996
  451    H    ASN  60           HN       ASN  60  79.659   8.460   4.533
  452    HA   ASN  60           HA       ASN  60  77.258   6.672   4.309
  453   1HB   ASN  60          2HB       ASN  60  77.594   9.254   5.865
  454   2HB   ASN  60          3HB       ASN  60  76.042   8.467   5.596
  455   1HD2  ASN  60          HD22      ASN  60  77.793   7.277   8.821
  456   2HD2  ASN  60          HD21      ASN  60  77.652   8.846   8.188
  457    H    LYS  61           HN       LYS  61  76.186   6.975   2.406
  458    HA   LYS  61           HA       LYS  61  76.770   9.282   0.734
  459   1HB   LYS  61          2HB       LYS  61  76.262   7.109  -0.275
  460   2HB   LYS  61          3HB       LYS  61  74.667   7.119   0.471
  461   1HG   LYS  61          2HG       LYS  61  73.916   8.907  -0.884
  462   2HG   LYS  61          3HG       LYS  61  75.557   9.339  -1.363
  463   1HD   LYS  61          2HD       LYS  61  75.740   7.100  -2.494
  464   2HD   LYS  61          3HD       LYS  61  74.035   6.838  -2.148
  465   1HE   LYS  61          2HE       LYS  61  75.131   9.174  -3.734
  466   2HE   LYS  61          3HE       LYS  61  74.422   7.724  -4.444
  467   1HZ   LYS  61           HZ3      LYS  61  72.859   9.096  -2.408
  468   2HZ   LYS  61           HZ2      LYS  61  73.007   9.876  -3.909
  469   3HZ   LYS  61           HZ1      LYS  61  72.349   8.312  -3.821
  470    H    THR  62           HN       THR  62  76.011  11.200   1.426
  471    HA   THR  62           HA       THR  62  73.122  11.642   1.612
  472    HB   THR  62           HB       THR  62  74.890  12.201   4.021
  473    HG1  THR  62           HG1      THR  62  73.447  10.625   4.977
  474   1HG2  THR  62          HG23      THR  62  72.154  12.983   3.196
  475   2HG2  THR  62          HG22      THR  62  72.328  12.449   4.867
  476   3HG2  THR  62          HG21      THR  62  73.288  13.807   4.270
  477    H    ALA  63           HN       ALA  63  72.977  14.163   2.464
  478    HA   ALA  63           HA       ALA  63  74.201  15.748   0.462
  479   1HB   ALA  63           HB3      ALA  63  72.238  16.227   2.197
  480   2HB   ALA  63           HB2      ALA  63  73.551  16.933   3.143
  481   3HB   ALA  63           HB1      ALA  63  73.190  17.558   1.533
  482    H    THR  64           HN       THR  64  75.109  15.210   3.871
  483    HA   THR  64           HA       THR  64  77.931  15.804   3.149
  484    HB   THR  64           HB       THR  64  76.475  17.038   5.509
  485    HG1  THR  64           HG1      THR  64  76.777  17.816   2.969
  486   1HG2  THR  64          HG21      THR  64  79.275  16.545   4.943
  487   2HG2  THR  64          HG23      THR  64  78.954  18.274   5.090
  488   3HG2  THR  64          HG22      THR  64  78.529  17.182   6.408
  489    H    GLY  65           HN       GLY  65  76.952  13.242   3.528
  490   1HA   GLY  65          2HA       GLY  65  77.904  12.558   6.282
  491   2HA   GLY  65          3HA       GLY  65  76.664  11.626   5.447
  492    H    TYR  66           HN       TYR  66  78.366  12.112   2.889
  493    HA   TYR  66           HA       TYR  66  79.522   9.669   2.501
  494   1HB   TYR  66          2HB       TYR  66  80.762  12.326   1.757
  495   2HB   TYR  66          3HB       TYR  66  81.231  10.774   1.068
  496    HD1  TYR  66           HD1      TYR  66  79.492   9.404  -0.177
  497    HD2  TYR  66           HD2      TYR  66  78.850  13.491   0.973
  498    HE1  TYR  66           HE1      TYR  66  77.664   9.583  -1.840
  499    HE2  TYR  66           HE2      TYR  66  77.016  13.671  -0.688
  500    HH   TYR  66           HH       TYR  66  75.371  11.635  -1.850
  501    H    GLY  67           HN       GLY  67  80.625  12.092   4.709
  502   1HA   GLY  67          2HA       GLY  67  82.032  11.555   6.601
  503   2HA   GLY  67          3HA       GLY  67  82.678  10.190   5.689
  504    H    PHE  68           HN       PHE  68  84.556  10.493   4.517
  505    HA   PHE  68           HA       PHE  68  86.242  12.674   5.053
  506   1HB   PHE  68          2HB       PHE  68  86.191  10.777   2.698
  507   2HB   PHE  68          3HB       PHE  68  87.461  11.975   2.929
  508    HD1  PHE  68           HD1      PHE  68  85.855   8.968   4.405
  509    HD2  PHE  68           HD2      PHE  68  89.160  11.701   4.575
  510    HE1  PHE  68           HE1      PHE  68  87.035   7.442   5.965
  511    HE2  PHE  68           HE2      PHE  68  90.344  10.179   6.129
  512    HZ   PHE  68           HZ       PHE  68  89.285   8.049   6.825
  513    H    ALA  69           HN       ALA  69  86.766  14.560   3.936
  514    HA   ALA  69           HA       ALA  69  85.282  15.296   1.498
  515   1HB   ALA  69           HB2      ALA  69  83.865  15.925   3.564
  516   2HB   ALA  69           HB1      ALA  69  85.107  17.136   3.895
  517   3HB   ALA  69           HB3      ALA  69  84.185  17.204   2.392
  518    H    GLU  70           HN       GLU  70  86.546  16.574   0.235
  519    HA   GLU  70           HA       GLU  70  89.032  17.676   1.469
  520   1HB   GLU  70          2HB       GLU  70  88.505  16.574  -1.302
  521   2HB   GLU  70          3HB       GLU  70  89.983  17.433  -0.871
  522   1HG   GLU  70          2HG       GLU  70  90.485  15.774   0.841
  523   2HG   GLU  70          3HG       GLU  70  88.954  14.952   0.528
  524    HA   PRO  71           HA       PRO  71  88.024  21.835   0.433
  525   1HB   PRO  71          2HB       PRO  71  90.468  21.801  -1.305
  526   2HB   PRO  71          3HB       PRO  71  89.967  22.999  -0.093
  527   1HG   PRO  71          2HG       PRO  71  91.856  21.234   0.461
  528   2HG   PRO  71          3HG       PRO  71  90.650  21.689   1.676
  529   1HD   PRO  71          2HD       PRO  71  90.880  19.155   0.122
  530   2HD   PRO  71          3HD       PRO  71  90.223  19.431   1.751
  531    H    TYR  72           HN       TYR  72  86.274  21.949  -0.892
  532    HA   TYR  72           HA       TYR  72  84.961  21.828  -2.839
  533   1HB   TYR  72          2HB       TYR  72  85.895  23.125  -4.710
  534   2HB   TYR  72          3HB       TYR  72  86.227  23.926  -3.176
  535    HD1  TYR  72           HD2      TYR  72  88.467  23.896  -2.195
  536    HD2  TYR  72           HD1      TYR  72  87.699  22.137  -6.038
  537    HE1  TYR  72           HE2      TYR  72  90.901  23.830  -2.651
  538    HE2  TYR  72           HE1      TYR  72  90.135  22.074  -6.494
  539    HH   TYR  72           HH       TYR  72  92.158  22.405  -5.669
  540    H    ASN  73           HN       ASN  73  84.676  19.633  -3.275
  541    HA   ASN  73           HA       ASN  73  85.551  18.537  -5.674
  542   1HB   ASN  73          2HB       ASN  73  87.242  16.814  -4.722
  543   2HB   ASN  73          3HB       ASN  73  87.828  18.438  -5.069
  544   1HD2  ASN  73          HD22      ASN  73  89.029  18.551  -1.749
  545   2HD2  ASN  73          HD21      ASN  73  89.410  18.633  -3.402
  546    H    LEU  74           HN       LEU  74  85.803  16.926  -2.490
  547    HA   LEU  74           HA       LEU  74  84.528  15.161  -1.622
  548   1HB   LEU  74          2HB       LEU  74  82.457  16.783  -3.111
  549   2HB   LEU  74          3HB       LEU  74  82.025  15.332  -2.213
  550    HG   LEU  74           HG       LEU  74  83.645  17.497  -0.896
  551   1HD1  LEU  74          HD13      LEU  74  80.843  17.637  -1.771
  552   2HD1  LEU  74          HD12      LEU  74  81.037  17.881  -0.033
  553   3HD1  LEU  74          HD11      LEU  74  81.893  18.921  -1.171
  554   1HD2  LEU  74          HD21      LEU  74  81.727  15.339   0.031
  555   2HD2  LEU  74          HD23      LEU  74  83.469  15.376   0.271
  556   3HD2  LEU  74          HD22      LEU  74  82.445  16.537   1.102
  557    H    TYR  75           HN       TYR  75  85.803  14.983  -4.387
  558    HA   TYR  75           HA       TYR  75  85.828  13.531  -6.229
  559   1HB   TYR  75          2HB       TYR  75  85.315  11.185  -5.682
  560   2HB   TYR  75          3HB       TYR  75  86.241  11.936  -4.379
  561    HD1  TYR  75           HD2      TYR  75  82.904  10.754  -5.428
  562    HD2  TYR  75           HD1      TYR  75  85.241  12.408  -2.225
  563    HE1  TYR  75           HE2      TYR  75  81.069  10.270  -3.837
  564    HE2  TYR  75           HE1      TYR  75  83.400  11.927  -0.636
  565    HH   TYR  75           HH       TYR  75  81.016   9.860  -1.161
  566    H    SER  76           HN       SER  76  84.563  13.779  -7.975
  567    HA   SER  76           HA       SER  76  81.793  14.419  -7.861
  568   1HB   SER  76          2HB       SER  76  81.820  14.289 -10.252
  569   2HB   SER  76          3HB       SER  76  83.414  14.869  -9.775
  570    HG   SER  76           HG       SER  76  82.816  12.722 -11.190
  571    H    SER  77           HN       SER  77  83.421  11.291  -8.391
  572    HA   SER  77           HA       SER  77  80.724  10.026  -8.130
  573   1HB   SER  77          2HB       SER  77  83.018   9.142  -9.903
  574   2HB   SER  77          3HB       SER  77  81.513   8.255  -9.684
  575    HG   SER  77           HG       SER  77  80.688  10.591 -10.262
  576    H    LEU  78           HN       LEU  78  80.704   7.949  -7.052
  577    HA   LEU  78           HA       LEU  78  82.414   7.767  -4.786
  578   1HB   LEU  78          2HB       LEU  78  80.648   5.710  -6.134
  579   2HB   LEU  78          3HB       LEU  78  81.513   5.387  -4.630
  580    HG   LEU  78           HG       LEU  78  79.648   7.741  -4.989
  581   1HD1  LEU  78          HD11      LEU  78  78.496   5.519  -5.274
  582   2HD1  LEU  78          HD13      LEU  78  79.065   5.078  -3.663
  583   3HD1  LEU  78          HD12      LEU  78  77.945   6.429  -3.866
  584   1HD2  LEU  78          HD22      LEU  78  81.462   6.795  -2.921
  585   2HD2  LEU  78          HD21      LEU  78  80.567   8.312  -3.001
  586   3HD2  LEU  78          HD23      LEU  78  79.807   6.876  -2.317
  587    H    LYS  79           HN       LYS  79  82.609   6.246  -7.969
  588    HA   LYS  79           HA       LYS  79  84.666   4.377  -7.399
  589   1HB   LYS  79          2HB       LYS  79  84.018   5.926  -9.915
  590   2HB   LYS  79          3HB       LYS  79  85.221   4.637  -9.850
  591   1HG   LYS  79          2HG       LYS  79  83.524   3.041  -9.114
  592   2HG   LYS  79          3HG       LYS  79  82.312   4.319  -9.055
  593   1HD   LYS  79          2HD       LYS  79  81.927   3.275 -11.141
  594   2HD   LYS  79          3HD       LYS  79  82.882   4.698 -11.552
  595   1HE   LYS  79          2HE       LYS  79  84.934   3.327 -11.561
  596   2HE   LYS  79          3HE       LYS  79  83.985   1.902 -11.146
  597   1HZ   LYS  79           HZ3      LYS  79  82.715   2.960 -13.321
  598   2HZ   LYS  79           HZ2      LYS  79  84.363   3.158 -13.683
  599   3HZ   LYS  79           HZ1      LYS  79  83.749   1.615 -13.320
  600    H    GLU  80           HN       GLU  80  84.829   7.817  -8.320
  601    HA   GLU  80           HA       GLU  80  87.673   7.952  -8.528
  602   1HB   GLU  80          2HB       GLU  80  85.691  10.102  -7.705
  603   2HB   GLU  80          3HB       GLU  80  87.379  10.396  -8.123
  604   1HG   GLU  80          2HG       GLU  80  86.997   9.416 -10.357
  605   2HG   GLU  80          3HG       GLU  80  85.300   9.155  -9.945
  606    H    LEU  81           HN       LEU  81  85.464   8.147  -5.795
  607    HA   LEU  81           HA       LEU  81  87.280   9.064  -3.825
  608   1HB   LEU  81          2HB       LEU  81  84.846   8.835  -3.440
  609   2HB   LEU  81          3HB       LEU  81  85.012   7.079  -3.492
  610    HG   LEU  81           HG       LEU  81  86.856   8.478  -1.649
  611   1HD1  LEU  81          HD12      LEU  81  83.876   8.624  -1.407
  612   2HD1  LEU  81          HD11      LEU  81  84.823   8.348   0.056
  613   3HD1  LEU  81          HD13      LEU  81  85.102   9.794  -0.914
  614   1HD2  LEU  81          HD23      LEU  81  85.077   6.028  -1.513
  615   2HD2  LEU  81          HD22      LEU  81  86.823   6.057  -1.760
  616   3HD2  LEU  81          HD21      LEU  81  86.146   6.543  -0.206
  617    H    VAL  82           HN       VAL  82  86.645   5.743  -4.992
  618    HA   VAL  82           HA       VAL  82  88.463   4.471  -3.154
  619    HB   VAL  82           HB       VAL  82  87.562   3.588  -5.916
  620   1HG1  VAL  82          HG12      VAL  82  89.045   2.199  -3.679
  621   2HG1  VAL  82          HG11      VAL  82  88.156   1.297  -4.906
  622   3HG1  VAL  82          HG13      VAL  82  89.508   2.329  -5.374
  623   1HG2  VAL  82          HG21      VAL  82  86.427   3.341  -3.145
  624   2HG2  VAL  82          HG23      VAL  82  85.593   3.658  -4.667
  625   3HG2  VAL  82          HG22      VAL  82  86.162   2.031  -4.296
  626    H    LEU  83           HN       LEU  83  88.806   5.822  -6.408
  627    HA   LEU  83           HA       LEU  83  91.526   5.007  -6.830
  628   1HB   LEU  83          2HB       LEU  83  89.884   7.302  -7.931
  629   2HB   LEU  83          3HB       LEU  83  91.497   6.894  -8.516
  630    HG   LEU  83           HG       LEU  83  89.160   4.968  -8.471
  631   1HD1  LEU  83          HD11      LEU  83  90.147   6.941 -10.493
  632   2HD1  LEU  83          HD13      LEU  83  89.580   5.376 -11.079
  633   3HD1  LEU  83          HD12      LEU  83  88.498   6.413 -10.151
  634   1HD2  LEU  83          HD22      LEU  83  92.025   4.847  -9.388
  635   2HD2  LEU  83          HD21      LEU  83  91.101   3.659  -8.471
  636   3HD2  LEU  83          HD23      LEU  83  90.807   3.861 -10.197
  637    H    HIS  84           HN       HIS  84  90.065   7.959  -5.479
  638    HA   HIS  84           HA       HIS  84  92.460   9.464  -5.172
  639   1HB   HIS  84          2HB       HIS  84  89.880   9.472  -3.594
  640   2HB   HIS  84          3HB       HIS  84  91.177  10.630  -3.310
  641    HD1  HIS  84           HD1      HIS  84  89.827  12.653  -4.155
  642    HD2  HIS  84           HD2      HIS  84  90.194   9.632  -7.005
  643    HE1  HIS  84           HE1      HIS  84  88.973  13.618  -6.335
  644    H    TYR  85           HN       TYR  85  90.912   7.142  -2.926
  645    HA   TYR  85           HA       TYR  85  92.864   7.584  -0.843
  646   1HB   TYR  85          2HB       TYR  85  90.925   5.322  -1.371
  647   2HB   TYR  85          3HB       TYR  85  92.032   5.316  -0.005
  648    HD1  TYR  85           HD2      TYR  85  89.970   8.020  -1.603
  649    HD2  TYR  85           HD1      TYR  85  90.875   5.803   1.965
  650    HE1  TYR  85           HE2      TYR  85  88.416   9.453  -0.321
  651    HE2  TYR  85           HE1      TYR  85  89.311   7.242   3.250
  652    HH   TYR  85           HH       TYR  85  88.245  10.146   2.232
  653    H    GLN  86           HN       GLN  86  92.813   5.717  -3.754
  654    HA   GLN  86           HA       GLN  86  94.821   3.772  -3.111
  655   1HB   GLN  86          2HB       GLN  86  93.378   3.661  -5.138
  656   2HB   GLN  86          3HB       GLN  86  94.218   5.064  -5.790
  657   1HG   GLN  86          2HG       GLN  86  96.318   3.866  -5.851
  658   2HG   GLN  86          3HG       GLN  86  95.601   2.488  -5.013
  659   1HE2  GLN  86          HE22      GLN  86  94.415   3.134  -8.908
  660   2HE2  GLN  86          HE21      GLN  86  94.787   4.473  -7.933
  661    H    HIS  87           HN       HIS  87  94.984   7.102  -4.329
  662    HA   HIS  87           HA       HIS  87  97.939   6.962  -4.449
  663   1HB   HIS  87          2HB       HIS  87  96.037   9.262  -5.016
  664   2HB   HIS  87          3HB       HIS  87  97.783   9.303  -5.259
  665    HD1  HIS  87           HD1      HIS  87  94.627   8.132  -6.804
  666    HD2  HIS  87           HD2      HIS  87  98.710   7.490  -7.361
  667    HE1  HIS  87           HE1      HIS  87  94.876   6.999  -9.054
  668    H    THR  88           HN       THR  88  95.438   7.917  -2.283
  669    HA   THR  88           HA       THR  88  97.326   9.552  -0.660
  670    HB   THR  88           HB       THR  88  94.368   9.038  -0.213
  671    HG1  THR  88           HG1      THR  88  95.354  10.308  -2.156
  672   1HG2  THR  88          HG23      THR  88  96.347  10.094   1.467
  673   2HG2  THR  88          HG22      THR  88  95.501  11.503   0.827
  674   3HG2  THR  88          HG21      THR  88  94.601  10.245   1.675
  675    H    SER  89           HN       SER  89  98.003   8.871   1.364
  676    HA   SER  89           HA       SER  89  97.605   6.003   1.948
  677   1HB   SER  89          2HB       SER  89  99.877   6.908   2.060
  678   2HB   SER  89          3HB       SER  89  99.364   8.110   3.237
  679    HG   SER  89           HG       SER  89 100.371   5.989   3.950
  680    H    LEU  90           HN       LEU  90  96.209   5.287   3.502
  681    HA   LEU  90           HA       LEU  90  94.370   7.036   4.801
  682   1HB   LEU  90          2HB       LEU  90  95.127   4.149   5.252
  683   2HB   LEU  90          3HB       LEU  90  93.968   4.966   6.307
  684    HG   LEU  90           HG       LEU  90  92.692   5.651   4.254
  685   1HD1  LEU  90          HD13      LEU  90  94.825   3.931   3.016
  686   2HD1  LEU  90          HD12      LEU  90  93.262   4.137   2.234
  687   3HD1  LEU  90          HD11      LEU  90  94.288   5.536   2.533
  688   1HD2  LEU  90          HD22      LEU  90  92.570   3.293   5.658
  689   2HD2  LEU  90          HD21      LEU  90  91.422   3.758   4.400
  690   3HD2  LEU  90          HD23      LEU  90  92.781   2.706   4.009
  691    H    VAL  91           HN       VAL  91  97.575   6.052   5.708
  692    HA   VAL  91           HA       VAL  91  97.907   6.065   8.360
  693    HB   VAL  91           HB       VAL  91  99.740   6.489   6.702
  694   1HG1  VAL  91          HG11      VAL  91  98.809   9.358   6.995
  695   2HG1  VAL  91          HG13      VAL  91 100.276   8.843   6.166
  696   3HG1  VAL  91          HG12      VAL  91  98.699   8.383   5.529
  697   1HG2  VAL  91          HG23      VAL  91  99.884   6.809   9.288
  698   2HG2  VAL  91          HG22      VAL  91 101.180   7.467   8.288
  699   3HG2  VAL  91          HG21      VAL  91  99.922   8.533   8.911
  700    H    GLN  92           HN       GLN  92  96.700   8.920   6.628
  701    HA   GLN  92           HA       GLN  92  96.754  10.940   8.474
  702   1HB   GLN  92          2HB       GLN  92  94.317  10.146   6.857
  703   2HB   GLN  92          3HB       GLN  92  94.606  11.736   7.569
  704   1HG   GLN  92          2HG       GLN  92  96.699  11.929   6.230
  705   2HG   GLN  92          3HG       GLN  92  96.325  10.381   5.472
  706   1HE2  GLN  92          HE22      GLN  92  93.497  11.724   3.643
  707   2HE2  GLN  92          HE21      GLN  92  93.969  10.334   4.491
  708    H    HIS  93           HN       HIS  93  94.657  11.782   9.675
  709    HA   HIS  93           HA       HIS  93  93.293  11.583  11.565
  710   1HB   HIS  93          2HB       HIS  93  92.993   8.767  10.476
  711   2HB   HIS  93          3HB       HIS  93  92.080   9.392  11.841
  712    HD1  HIS  93           HD1      HIS  93  90.221  11.114  11.361
  713    HD2  HIS  93           HD2      HIS  93  92.249   9.875   7.936
  714    HE1  HIS  93           HE1      HIS  93  88.838  11.893   9.388
  715    H    ASN  94           HN       ASN  94  93.701   8.285  12.195
  716    HA   ASN  94           HA       ASN  94  94.990   8.699  14.696
  717   1HB   ASN  94          2HB       ASN  94  94.667   6.225  12.988
  718   2HB   ASN  94          3HB       ASN  94  95.366   6.187  14.603
  719   1HD2  ASN  94          HD22      ASN  94  91.631   5.638  14.825
  720   2HD2  ASN  94          HD21      ASN  94  92.854   4.869  13.937
  721    H    ASP  95           HN       ASP  95  96.357   8.950  11.639
  722    HA   ASP  95           HA       ASP  95  98.605   9.039  10.932
  723   1HB   ASP  95          2HB       ASP  95  98.704  10.583  12.917
  724   2HB   ASP  95          3HB       ASP  95  99.190   9.200  13.899
  725    H    SER  96           HN       SER  96  97.320   6.410  11.644
  726    HA   SER  96           HA       SER  96  99.859   4.901  11.809
  727   1HB   SER  96          2HB       SER  96  98.918   3.332  13.479
  728   2HB   SER  96          3HB       SER  96  99.024   4.968  14.124
  729    HG   SER  96           HG       SER  96  96.990   4.486  14.575
  730    H    LEU  97           HN       LEU  97  97.393   5.505   9.926
  731    HA   LEU  97           HA       LEU  97  96.782   2.654   9.274
  732   1HB   LEU  97          2HB       LEU  97  95.490   5.266   8.443
  733   2HB   LEU  97          3HB       LEU  97  95.113   3.724   7.671
  734    HG   LEU  97           HG       LEU  97  94.633   2.823  10.002
  735   1HD1  LEU  97          HD11      LEU  97  95.523   5.470  10.686
  736   2HD1  LEU  97          HD13      LEU  97  93.853   5.258  11.208
  737   3HD1  LEU  97          HD12      LEU  97  95.100   4.137  11.756
  738   1HD2  LEU  97          HD22      LEU  97  93.044   4.406   8.222
  739   2HD2  LEU  97          HD21      LEU  97  92.522   3.099   9.287
  740   3HD2  LEU  97          HD23      LEU  97  92.544   4.763   9.876
  741    H    ASN  98           HN       ASN  98  99.155   2.672   8.589
  742    HA   ASN  98           HA       ASN  98  99.810   4.163   6.173
  743   1HB   ASN  98          2HB       ASN  98 101.463   3.483   7.937
  744   2HB   ASN  98          3HB       ASN  98 101.284   1.816   7.380
  745   1HD2  ASN  98          HD22      ASN  98 102.889   4.482   4.673
  746   2HD2  ASN  98          HD21      ASN  98 101.637   4.998   5.700
  747    H    VAL  99           HN       VAL  99  98.172   3.499   4.716
  748    HA   VAL  99           HA       VAL  99  98.884   1.131   3.183
  749    HB   VAL  99           HB       VAL  99  97.474   0.116   4.962
  750   1HG1  VAL  99          HG12      VAL  99  95.364   2.000   3.870
  751   2HG1  VAL  99          HG11      VAL  99  95.066   0.722   5.040
  752   3HG1  VAL  99          HG13      VAL  99  96.092   2.089   5.471
  753   1HG2  VAL  99          HG22      VAL  99  97.459  -0.831   2.672
  754   2HG2  VAL  99          HG21      VAL  99  95.887  -1.020   3.452
  755   3HG2  VAL  99          HG23      VAL  99  96.126   0.240   2.241
  756    H    THR 100           HN       THR 100  97.596   1.014   1.207
  757    HA   THR 100           HA       THR 100  96.138   3.539   0.563
  758    HB   THR 100           HB       THR 100  97.388   2.603  -1.799
  759    HG1  THR 100           HG1      THR 100  99.558   3.192  -0.389
  760   1HG2  THR 100          HG23      THR 100  96.804   4.939  -1.185
  761   2HG2  THR 100          HG22      THR 100  98.126   4.939  -0.018
  762   3HG2  THR 100          HG21      THR 100  98.472   4.788  -1.744
  763    H    LEU 101           HN       LEU 101  94.203   3.140  -0.468
  764    HA   LEU 101           HA       LEU 101  93.298   0.393  -0.719
  765   1HB   LEU 101          2HB       LEU 101  92.090   2.901  -1.935
  766   2HB   LEU 101          3HB       LEU 101  91.263   1.364  -1.650
  767    HG   LEU 101           HG       LEU 101  92.380   3.247   0.440
  768   1HD1  LEU 101          HD13      LEU 101  89.999   3.423  -0.808
  769   2HD1  LEU 101          HD12      LEU 101  89.574   2.252   0.437
  770   3HD1  LEU 101          HD11      LEU 101  90.200   3.831   0.894
  771   1HD2  LEU 101          HD21      LEU 101  91.508   0.402   0.550
  772   2HD2  LEU 101          HD23      LEU 101  92.815   1.191   1.415
  773   3HD2  LEU 101          HD22      LEU 101  91.144   1.438   1.923
  774    H    ALA 102           HN       ALA 102  95.222  -0.236  -2.105
  775    HA   ALA 102           HA       ALA 102  94.747   0.476  -4.966
  776   1HB   ALA 102           HB2      ALA 102  96.999   1.055  -3.788
  777   2HB   ALA 102           HB1      ALA 102  97.331  -0.671  -3.936
  778   3HB   ALA 102           HB3      ALA 102  97.050   0.299  -5.381
  779    H    TYR 103           HN       TYR 103  94.548  -2.107  -2.721
  780    HA   TYR 103           HA       TYR 103  94.706  -4.034  -5.008
  781   1HB   TYR 103          2HB       TYR 103  96.476  -4.353  -3.297
  782   2HB   TYR 103          3HB       TYR 103  95.224  -4.617  -2.087
  783    HD1  TYR 103           HD2      TYR 103  96.727  -5.921  -5.202
  784    HD2  TYR 103           HD1      TYR 103  93.997  -6.710  -1.989
  785    HE1  TYR 103           HE2      TYR 103  96.579  -8.291  -5.904
  786    HE2  TYR 103           HE1      TYR 103  93.843  -9.078  -2.691
  787    HH   TYR 103           HH       TYR 103  95.920 -10.603  -4.481
  788    HA   PRO 104           HA       PRO 104  90.244  -4.149  -3.969
  789   1HB   PRO 104          2HB       PRO 104  90.328  -6.027  -6.270
  790   2HB   PRO 104          3HB       PRO 104  89.303  -4.612  -6.006
  791   1HG   PRO 104          2HG       PRO 104  91.312  -4.584  -7.766
  792   2HG   PRO 104          3HG       PRO 104  90.868  -3.151  -6.821
  793   1HD   PRO 104          2HD       PRO 104  93.196  -4.986  -6.468
  794   2HD   PRO 104          3HD       PRO 104  93.071  -3.237  -6.169
  795    H    VAL 105           HN       VAL 105  89.028  -5.784  -2.895
  796    HA   VAL 105           HA       VAL 105  90.525  -8.020  -1.845
  797    HB   VAL 105           HB       VAL 105  88.650  -6.866  -0.639
  798   1HG1  VAL 105          HG12      VAL 105  87.267  -7.209  -2.975
  799   2HG1  VAL 105          HG11      VAL 105  86.633  -8.545  -2.015
  800   3HG1  VAL 105          HG13      VAL 105  86.501  -6.889  -1.421
  801   1HG2  VAL 105          HG21      VAL 105  88.890  -9.816  -1.025
  802   2HG2  VAL 105          HG23      VAL 105  89.118  -8.850   0.433
  803   3HG2  VAL 105          HG22      VAL 105  87.490  -9.238  -0.121
  804    H    TYR 106           HN       TYR 106  88.155  -7.657  -4.458
  805    HA   TYR 106           HA       TYR 106  88.626 -10.531  -5.160
  806   1HB   TYR 106          2HB       TYR 106  86.184  -8.806  -5.460
  807   2HB   TYR 106          3HB       TYR 106  86.394 -10.281  -6.403
  808    HD1  TYR 106           HD1      TYR 106  87.323 -12.330  -4.834
  809    HD2  TYR 106           HD2      TYR 106  84.921  -9.012  -3.547
  810    HE1  TYR 106           HE1      TYR 106  86.487 -13.676  -2.926
  811    HE2  TYR 106           HE2      TYR 106  84.089 -10.354  -1.636
  812    HH   TYR 106           HH       TYR 106  83.807 -12.784  -1.089
  813    H    ALA 107           HN       ALA 107  90.522  -8.918  -6.140
  814    HA   ALA 107           HA       ALA 107  89.879  -7.638  -8.643
  815   1HB   ALA 107           HB3      ALA 107  92.104  -7.710  -7.075
  816   2HB   ALA 107           HB2      ALA 107  92.566  -8.848  -8.341
  817   3HB   ALA 107           HB1      ALA 107  92.124  -7.195  -8.764
  818    H    GLN 108           HN       GLN 108  89.118  -8.736 -10.398
  819    HA   GLN 108           HA       GLN 108  89.119 -11.566 -10.646
  820   1HB   GLN 108          2HB       GLN 108  87.601 -10.005 -11.878
  821   2HB   GLN 108          3HB       GLN 108  88.962  -9.551 -12.903
  822   1HG   GLN 108          2HG       GLN 108  89.206 -11.870 -13.649
  823   2HG   GLN 108          3HG       GLN 108  87.909 -12.376 -12.569
  824   1HE2  GLN 108          HE22      GLN 108  85.503 -11.730 -15.040
  825   2HE2  GLN 108          HE21      GLN 108  86.038 -12.716 -13.763
  826    H    GLN 109           HN       GLN 109  91.411  -9.139 -11.890
  827    HA   GLN 109           HA       GLN 109  92.892 -10.940 -13.546
  828   1HB   GLN 109          2HB       GLN 109  93.738  -8.428 -12.073
  829   2HB   GLN 109          3HB       GLN 109  94.788  -9.296 -13.192
  830   1HG   GLN 109          2HG       GLN 109  93.215  -8.951 -15.015
  831   2HG   GLN 109          3HG       GLN 109  92.047  -8.216 -13.917
  832   1HE2  GLN 109          HE22      GLN 109  95.482  -5.998 -14.279
  833   2HE2  GLN 109          HE21      GLN 109  95.581  -7.648 -13.894
  834    H    ARG 110           HN       ARG 110  93.259 -10.049 -10.117
  835    HA   ARG 110           HA       ARG 110  95.592 -11.656  -9.650
  836   1HB   ARG 110          2HB       ARG 110  93.427 -10.741  -7.736
  837   2HB   ARG 110          3HB       ARG 110  94.978 -11.417  -7.251
  838   1HG   ARG 110          2HG       ARG 110  94.666  -8.936  -8.968
  839   2HG   ARG 110          3HG       ARG 110  94.959  -8.914  -7.228
  840   1HD   ARG 110          2HD       ARG 110  96.986 -10.457  -7.791
  841   2HD   ARG 110          3HD       ARG 110  96.782  -9.844  -9.432
  842    HE   ARG 110           HE       ARG 110  96.819  -7.552  -7.900
  843   1HH1  ARG 110          HH21      ARG 110  98.817 -10.353  -8.211
  844   2HH1  ARG 110          HH22      ARG 110 100.282  -9.510  -7.843
  845   1HH2  ARG 110          HH11      ARG 110  98.725  -6.441  -7.417
  846   2HH2  ARG 110          HH12      ARG 110 100.231  -7.298  -7.402
  847    H    ARG 111           HN       ARG 111  92.139 -12.325  -9.535
  848    HA   ARG 111           HA       ARG 111  92.782 -15.214  -9.058
  849   1HB   ARG 111          2HB       ARG 111  90.399 -13.599  -8.098
  850   2HB   ARG 111          3HB       ARG 111  90.578 -15.342  -7.895
  851   1HG   ARG 111          2HG       ARG 111  92.662 -14.961  -6.602
  852   2HG   ARG 111          3HG       ARG 111  92.434 -13.219  -6.775
  853   1HD   ARG 111          2HD       ARG 111  91.553 -13.906  -4.613
  854   2HD   ARG 111          3HD       ARG 111  90.211 -13.442  -5.658
  855    HE   ARG 111           HE       ARG 111  90.393 -16.162  -6.068
  856   1HH1  ARG 111          HH21      ARG 111  90.244 -14.078  -3.334
  857   2HH1  ARG 111          HH22      ARG 111  89.381 -15.204  -2.341
  858   1HH2  ARG 111          HH11      ARG 111  89.212 -17.647  -4.799
  859   2HH2  ARG 111          HH12      ARG 111  88.793 -17.223  -3.172
   
  No H/Q in entry =         859
  Start of MODEL   27
    1   1H    GLU   1           HT3      GLU   1  96.071   0.819 -18.959
    2   2H    GLU   1           HT2      GLU   1  96.785   0.364 -17.486
    3   3H    GLU   1           HT1      GLU   1  97.591   0.070 -18.950
    4    HA   GLU   1           HA       GLU   1  95.920  -1.517 -19.618
    5   1HB   GLU   1          2HB       GLU   1  96.983  -1.946 -16.808
    6   2HB   GLU   1          3HB       GLU   1  96.335  -3.219 -17.841
    7   1HG   GLU   1          2HG       GLU   1  98.735  -1.475 -18.455
    8   2HG   GLU   1          3HG       GLU   1  98.781  -3.177 -18.006
    9    H    ASP   2           HN       ASP   2  94.396  -3.131 -18.022
   10    HA   ASP   2           HA       ASP   2  92.063  -1.429 -17.514
   11   1HB   ASP   2          2HB       ASP   2  91.861  -3.667 -18.605
   12   2HB   ASP   2          3HB       ASP   2  92.406  -4.415 -17.101
   13    H    LEU   3           HN       LEU   3  91.658  -0.538 -15.556
   14    HA   LEU   3           HA       LEU   3  93.174  -1.499 -13.205
   15   1HB   LEU   3          2HB       LEU   3  91.416   0.927 -13.630
   16   2HB   LEU   3          3HB       LEU   3  92.262   0.566 -12.124
   17    HG   LEU   3           HG       LEU   3  93.596   0.942 -14.824
   18   1HD1  LEU   3          HD13      LEU   3  93.294   2.757 -12.419
   19   2HD1  LEU   3          HD12      LEU   3  94.459   3.042 -13.711
   20   3HD1  LEU   3          HD11      LEU   3  92.729   3.062 -14.063
   21   1HD2  LEU   3          HD23      LEU   3  94.581   0.310 -12.048
   22   2HD2  LEU   3          HD22      LEU   3  95.039  -0.436 -13.577
   23   3HD2  LEU   3          HD21      LEU   3  95.615   1.182 -13.177
   24    HA   PRO   4           HA       PRO   4  89.676  -3.956 -11.795
   25   1HB   PRO   4          2HB       PRO   4  90.787  -3.324  -9.109
   26   2HB   PRO   4          3HB       PRO   4  90.404  -4.900  -9.826
   27   1HG   PRO   4          2HG       PRO   4  92.920  -4.002  -9.533
   28   2HG   PRO   4          3HG       PRO   4  92.423  -5.068 -10.854
   29   1HD   PRO   4          2HD       PRO   4  93.123  -2.186 -10.939
   30   2HD   PRO   4          3HD       PRO   4  93.181  -3.410 -12.229
   31    H    HIS   5           HN       HIS   5  90.458  -0.737 -10.849
   32    HA   HIS   5           HA       HIS   5  88.322  -0.191  -9.046
   33   1HB   HIS   5          2HB       HIS   5  89.732   1.656 -10.994
   34   2HB   HIS   5          3HB       HIS   5  88.723   2.182  -9.646
   35    HD1  HIS   5           HD1      HIS   5  89.586   0.727  -7.280
   36    HD2  HIS   5           HD2      HIS   5  92.364   1.783 -10.207
   37    HE1  HIS   5           HE1      HIS   5  91.862   0.661  -6.169
   38    H    HIS   6           HN       HIS   6  88.349  -0.554 -12.532
   39    HA   HIS   6           HA       HIS   6  85.982   0.990 -13.068
   40   1HB   HIS   6          2HB       HIS   6  87.182  -1.364 -14.560
   41   2HB   HIS   6          3HB       HIS   6  85.841  -0.389 -15.163
   42    HD1  HIS   6           HD1      HIS   6  86.457   2.367 -15.034
   43    HD2  HIS   6           HD2      HIS   6  89.607  -0.338 -15.440
   44    HE1  HIS   6           HE1      HIS   6  88.454   3.703 -15.845
   45    H    ASP   7           HN       ASP   7  86.467  -2.394 -12.130
   46    HA   ASP   7           HA       ASP   7  83.543  -2.815 -12.153
   47   1HB   ASP   7          2HB       ASP   7  85.850  -4.721 -11.669
   48   2HB   ASP   7          3HB       ASP   7  84.148  -5.190 -11.624
   49    H    GLU   8           HN       GLU   8  82.383  -2.646 -10.307
   50    HA   GLU   8           HA       GLU   8  83.657  -1.926  -7.811
   51   1HB   GLU   8          2HB       GLU   8  80.808  -2.722  -8.457
   52   2HB   GLU   8          3HB       GLU   8  81.339  -2.132  -6.883
   53   1HG   GLU   8          2HG       GLU   8  80.658  -0.143  -7.827
   54   2HG   GLU   8          3HG       GLU   8  82.338  -0.165  -8.360
   55    H    LYS   9           HN       LYS   9  82.517  -4.895  -9.248
   56    HA   LYS   9           HA       LYS   9  82.281  -6.510  -6.931
   57   1HB   LYS   9          2HB       LYS   9  82.508  -8.397  -8.414
   58   2HB   LYS   9          3HB       LYS   9  81.636  -7.141  -9.291
   59   1HG   LYS   9          2HG       LYS   9  83.201  -7.278 -10.902
   60   2HG   LYS   9          3HG       LYS   9  84.338  -6.564  -9.758
   61   1HD   LYS   9          2HD       LYS   9  84.418  -9.140  -8.923
   62   2HD   LYS   9          3HD       LYS   9  84.052  -9.393 -10.631
   63   1HE   LYS   9          2HE       LYS   9  85.962  -7.720 -11.089
   64   2HE   LYS   9          3HE       LYS   9  86.421  -7.981  -9.408
   65   1HZ   LYS   9           HZ3      LYS   9  86.168 -10.482 -10.147
   66   2HZ   LYS   9           HZ2      LYS   9  86.521  -9.827 -11.675
   67   3HZ   LYS   9           HZ1      LYS   9  87.613  -9.624 -10.388
   68    H    THR  10           HN       THR  10  85.084  -5.213  -8.499
   69    HA   THR  10           HA       THR  10  87.029  -7.096  -7.526
   70    HB   THR  10           HB       THR  10  88.624  -5.118  -7.867
   71    HG1  THR  10           HG1      THR  10  86.808  -3.743  -9.304
   72   1HG2  THR  10          HG23      THR  10  86.772  -5.953 -10.105
   73   2HG2  THR  10          HG22      THR  10  88.303  -5.117 -10.339
   74   3HG2  THR  10          HG21      THR  10  88.283  -6.736  -9.644
   75    H    TRP  11           HN       TRP  11  85.490  -4.277  -6.042
   76    HA   TRP  11           HA       TRP  11  86.980  -4.947  -3.535
   77   1HB   TRP  11          2HB       TRP  11  86.389  -2.291  -3.242
   78   2HB   TRP  11          3HB       TRP  11  87.944  -2.908  -3.814
   79    HD1  TRP  11           HD1      TRP  11  88.141  -3.196  -6.559
   80    HE1  TRP  11           HE1      TRP  11  87.184  -1.696  -8.418
   81    HE3  TRP  11           HE3      TRP  11  84.557  -0.749  -3.909
   82    HZ2  TRP  11           HZ2      TRP  11  85.156   0.320  -8.722
   83    HZ3  TRP  11           HZ3      TRP  11  83.125   0.955  -4.991
   84    HH2  TRP  11           HH2      TRP  11  83.418   1.494  -7.392
   85    H    ASN  12           HN       ASN  12  83.995  -3.794  -5.010
   86    HA   ASN  12           HA       ASN  12  82.673  -3.477  -2.427
   87   1HB   ASN  12          2HB       ASN  12  80.868  -2.653  -3.622
   88   2HB   ASN  12          3HB       ASN  12  82.190  -2.301  -4.732
   89   1HD2  ASN  12          HD22      ASN  12  79.451  -4.075  -6.591
   90   2HD2  ASN  12          HD21      ASN  12  79.514  -2.659  -5.657
   91    H    VAL  13           HN       VAL  13  81.123  -4.811  -1.535
   92    HA   VAL  13           HA       VAL  13  80.899  -7.538  -2.742
   93    HB   VAL  13           HB       VAL  13  80.882  -8.425  -0.433
   94   1HG1  VAL  13          HG13      VAL  13  83.044  -7.743  -1.871
   95   2HG1  VAL  13          HG12      VAL  13  83.313  -6.696  -0.480
   96   3HG1  VAL  13          HG11      VAL  13  83.181  -8.440  -0.259
   97   1HG2  VAL  13          HG22      VAL  13  81.466  -5.537   0.306
   98   2HG2  VAL  13          HG21      VAL  13  79.968  -6.398   0.653
   99   3HG2  VAL  13          HG23      VAL  13  81.472  -6.901   1.428
  100    H    GLY  14           HN       GLY  14  79.304  -4.762  -1.860
  101   1HA   GLY  14          2HA       GLY  14  77.019  -4.251  -1.706
  102   2HA   GLY  14          3HA       GLY  14  76.691  -5.884  -2.277
  103    H    SER  15           HN       SER  15  75.316  -6.806  -0.828
  104    HA   SER  15           HA       SER  15  75.269  -6.093   1.961
  105   1HB   SER  15          2HB       SER  15  74.070  -8.402   0.415
  106   2HB   SER  15          3HB       SER  15  73.839  -8.204   2.154
  107    HG   SER  15           HG       SER  15  73.371  -5.862   1.065
  108    H    SER  16           HN       SER  16  76.320  -7.040   3.671
  109    HA   SER  16           HA       SER  16  77.677  -9.613   3.459
  110   1HB   SER  16          2HB       SER  16  79.956  -8.708   3.808
  111   2HB   SER  16          3HB       SER  16  79.300  -8.166   2.268
  112    HG   SER  16           HG       SER  16  79.070  -6.174   3.056
  113    H    ASN  17           HN       ASN  17  78.834 -10.079   5.562
  114    HA   ASN  17           HA       ASN  17  77.471  -8.614   7.782
  115   1HB   ASN  17          2HB       ASN  17  78.602 -11.415   7.582
  116   2HB   ASN  17          3HB       ASN  17  78.094 -10.693   9.111
  117   1HD2  ASN  17          HD22      ASN  17  75.307 -12.183   6.618
  118   2HD2  ASN  17          HD21      ASN  17  76.970 -12.392   6.352
  119    H    ARG  18           HN       ARG  18  78.769  -7.691   9.426
  120    HA   ARG  18           HA       ARG  18  81.451  -6.995   8.742
  121   1HB   ARG  18          2HB       ARG  18  80.055  -6.960  11.432
  122   2HB   ARG  18          3HB       ARG  18  81.653  -6.275  11.144
  123   1HG   ARG  18          2HG       ARG  18  80.489  -4.956   9.220
  124   2HG   ARG  18          3HG       ARG  18  78.996  -5.358  10.065
  125   1HD   ARG  18          2HD       ARG  18  81.342  -3.763  11.087
  126   2HD   ARG  18          3HD       ARG  18  79.669  -3.243  10.949
  127    HE   ARG  18           HE       ARG  18  80.836  -4.478  13.228
  128   1HH1  ARG  18          HH21      ARG  18  78.031  -4.766  11.234
  129   2HH1  ARG  18          HH22      ARG  18  77.154  -5.708  12.392
  130   1HH2  ARG  18          HH11      ARG  18  79.702  -5.670  14.746
  131   2HH2  ARG  18          HH12      ARG  18  78.099  -6.219  14.383
  132    H    ASN  19           HN       ASN  19  80.160  -9.615  10.753
  133    HA   ASN  19           HA       ASN  19  82.630 -10.457  11.873
  134   1HB   ASN  19          2HB       ASN  19  80.097 -11.953  11.183
  135   2HB   ASN  19          3HB       ASN  19  81.466 -12.740  11.966
  136   1HD2  ASN  19          HD22      ASN  19  78.959 -11.013  14.390
  137   2HD2  ASN  19          HD21      ASN  19  78.616 -11.803  12.927
  138    H    LYS  20           HN       LYS  20  81.027 -11.584   8.857
  139    HA   LYS  20           HA       LYS  20  83.227 -13.310   8.150
  140   1HB   LYS  20          2HB       LYS  20  82.054 -13.771   6.209
  141   2HB   LYS  20          3HB       LYS  20  80.746 -13.189   7.238
  142   1HG   LYS  20          2HG       LYS  20  81.037 -10.923   6.284
  143   2HG   LYS  20          3HG       LYS  20  82.278 -11.552   5.202
  144   1HD   LYS  20          2HD       LYS  20  80.187 -13.323   4.847
  145   2HD   LYS  20          3HD       LYS  20  79.368 -11.770   5.024
  146   1HE   LYS  20          2HE       LYS  20  80.967 -10.829   3.314
  147   2HE   LYS  20          3HE       LYS  20  81.548 -12.476   3.047
  148   1HZ   LYS  20           HZ1      LYS  20  78.900 -12.809   2.918
  149   2HZ   LYS  20           HZ3      LYS  20  79.051 -11.252   2.264
  150   3HZ   LYS  20           HZ2      LYS  20  79.894 -12.551   1.565
  151    H    ALA  21           HN       ALA  21  82.578  -9.897   7.758
  152    HA   ALA  21           HA       ALA  21  84.466  -9.344   5.677
  153   1HB   ALA  21           HB3      ALA  21  82.707  -7.786   6.962
  154   2HB   ALA  21           HB2      ALA  21  84.130  -7.401   7.929
  155   3HB   ALA  21           HB1      ALA  21  84.140  -7.105   6.190
  156    H    GLU  22           HN       GLU  22  84.750  -9.873   9.147
  157    HA   GLU  22           HA       GLU  22  87.459  -9.028   9.481
  158   1HB   GLU  22          2HB       GLU  22  85.823 -11.151  10.901
  159   2HB   GLU  22          3HB       GLU  22  87.457 -10.702  11.394
  160   1HG   GLU  22          2HG       GLU  22  86.753  -8.387  11.747
  161   2HG   GLU  22          3HG       GLU  22  85.128  -8.773  11.169
  162    H    ASN  23           HN       ASN  23  86.038 -12.197   8.676
  163    HA   ASN  23           HA       ASN  23  88.496 -13.608   8.368
  164   1HB   ASN  23          2HB       ASN  23  85.783 -13.963   7.063
  165   2HB   ASN  23          3HB       ASN  23  87.125 -15.070   6.780
  166   1HD2  ASN  23          HD22      ASN  23  85.043 -16.307   9.682
  167   2HD2  ASN  23          HD21      ASN  23  84.673 -15.898   8.076
  168    H    LEU  24           HN       LEU  24  86.543 -11.743   6.012
  169    HA   LEU  24           HA       LEU  24  88.392 -12.188   3.828
  170   1HB   LEU  24          2HB       LEU  24  86.254 -10.101   4.319
  171   2HB   LEU  24          3HB       LEU  24  87.222 -10.142   2.848
  172    HG   LEU  24           HG       LEU  24  85.679 -12.553   3.813
  173   1HD1  LEU  24          HD11      LEU  24  84.808 -10.257   2.047
  174   2HD1  LEU  24          HD13      LEU  24  83.997 -11.824   2.042
  175   3HD1  LEU  24          HD12      LEU  24  84.020 -10.846   3.512
  176   1HD2  LEU  24          HD21      LEU  24  87.575 -12.139   1.779
  177   2HD2  LEU  24          HD23      LEU  24  86.501 -13.529   1.940
  178   3HD2  LEU  24          HD22      LEU  24  86.021 -12.151   0.948
  179    H    LEU  25           HN       LEU  25  88.241 -10.026   6.543
  180    HA   LEU  25           HA       LEU  25  90.399  -8.306   5.439
  181   1HB   LEU  25          2HB       LEU  25  88.761  -8.153   7.988
  182   2HB   LEU  25          3HB       LEU  25  90.026  -7.007   7.565
  183    HG   LEU  25           HG       LEU  25  87.753  -7.583   5.667
  184   1HD1  LEU  25          HD11      LEU  25  87.077  -6.766   8.081
  185   2HD1  LEU  25          HD13      LEU  25  87.742  -5.225   7.535
  186   3HD1  LEU  25          HD12      LEU  25  86.395  -5.963   6.667
  187   1HD2  LEU  25          HD21      LEU  25  89.800  -5.394   6.072
  188   2HD2  LEU  25          HD23      LEU  25  89.554  -6.403   4.648
  189   3HD2  LEU  25          HD22      LEU  25  88.377  -5.160   5.062
  190    H    ARG  26           HN       ARG  26  90.018 -11.102   7.292
  191    HA   ARG  26           HA       ARG  26  92.590 -10.659   8.733
  192   1HB   ARG  26          2HB       ARG  26  90.225 -12.472   9.213
  193   2HB   ARG  26          3HB       ARG  26  91.792 -12.794   9.969
  194   1HG   ARG  26          2HG       ARG  26  91.729 -10.367  10.785
  195   2HG   ARG  26          3HG       ARG  26  90.029 -10.362  10.300
  196   1HD   ARG  26          2HD       ARG  26  91.280 -12.377  12.189
  197   2HD   ARG  26          3HD       ARG  26  90.313 -10.984  12.697
  198    HE   ARG  26           HE       ARG  26  88.656 -12.285  10.917
  199   1HH1  ARG  26          HH21      ARG  26  90.482 -13.174  13.702
  200   2HH1  ARG  26          HH22      ARG  26  89.396 -14.438  14.176
  201   1HH2  ARG  26          HH11      ARG  26  87.245 -13.953  11.500
  202   2HH2  ARG  26          HH12      ARG  26  87.563 -14.882  12.928
  203    H    GLY  27           HN       GLY  27  94.363 -11.806   8.148
  204   1HA   GLY  27          2HA       GLY  27  95.433 -13.892   7.453
  205   2HA   GLY  27          3HA       GLY  27  93.994 -14.276   6.507
  206    H    LYS  28           HN       LYS  28  94.427 -11.091   5.941
  207    HA   LYS  28           HA       LYS  28  96.269 -11.636   3.662
  208   1HB   LYS  28          2HB       LYS  28  94.897 -10.031   2.347
  209   2HB   LYS  28          3HB       LYS  28  93.995 -11.459   2.856
  210   1HG   LYS  28          2HG       LYS  28  93.047 -10.210   4.747
  211   2HG   LYS  28          3HG       LYS  28  93.970  -8.782   4.272
  212   1HD   LYS  28          2HD       LYS  28  91.598  -8.739   3.459
  213   2HD   LYS  28          3HD       LYS  28  92.782  -8.658   2.159
  214   1HE   LYS  28          2HE       LYS  28  92.410 -10.862   1.488
  215   2HE   LYS  28          3HE       LYS  28  91.732 -11.325   3.049
  216   1HZ   LYS  28           HZ1      LYS  28  89.911  -9.649   2.471
  217   2HZ   LYS  28           HZ3      LYS  28  90.481  -9.767   0.877
  218   3HZ   LYS  28           HZ2      LYS  28  89.897 -11.150   1.673
  219    H    ARG  29           HN       ARG  29  97.501  -9.868   2.925
  220    HA   ARG  29           HA       ARG  29  98.585  -8.202   5.025
  221   1HB   ARG  29          2HB       ARG  29  99.832  -9.218   3.029
  222   2HB   ARG  29          3HB       ARG  29  99.133  -7.920   2.067
  223   1HG   ARG  29          2HG       ARG  29 100.078  -6.333   3.876
  224   2HG   ARG  29          3HG       ARG  29 101.058  -7.707   4.379
  225   1HD   ARG  29          2HD       ARG  29 100.981  -6.644   1.542
  226   2HD   ARG  29          3HD       ARG  29 102.213  -6.207   2.728
  227    HE   ARG  29           HE       ARG  29 102.256  -8.976   2.727
  228   1HH1  ARG  29          HH21      ARG  29 102.453  -6.490   0.332
  229   2HH1  ARG  29          HH22      ARG  29 103.503  -7.400  -0.705
  230   1HH2  ARG  29          HH11      ARG  29 103.623 -10.155   1.388
  231   2HH2  ARG  29          HH12      ARG  29 104.169  -9.466  -0.103
  232    H    ASP  30           HN       ASP  30  98.776  -5.843   4.891
  233    HA   ASP  30           HA       ASP  30  96.302  -4.480   4.590
  234   1HB   ASP  30          2HB       ASP  30  97.593  -2.433   4.835
  235   2HB   ASP  30          3HB       ASP  30  98.203  -3.645   5.960
  236    H    GLY  31           HN       GLY  31  95.972  -2.602   3.095
  237   1HA   GLY  31          2HA       GLY  31  96.308  -1.546   0.937
  238   2HA   GLY  31          3HA       GLY  31  97.231  -2.960   0.422
  239    H    THR  32           HN       THR  32  95.284  -4.888   1.430
  240    HA   THR  32           HA       THR  32  93.438  -4.824  -0.854
  241    HB   THR  32           HB       THR  32  93.607  -6.797   1.442
  242    HG1  THR  32           HG1      THR  32  95.377  -7.372   0.507
  243   1HG2  THR  32          HG23      THR  32  92.235  -6.783  -1.246
  244   2HG2  THR  32          HG22      THR  32  92.594  -8.289  -0.402
  245   3HG2  THR  32          HG21      THR  32  91.530  -7.094   0.340
  246    H    PHE  33           HN       PHE  33  91.498  -3.770  -0.721
  247    HA   PHE  33           HA       PHE  33  90.149  -3.827   1.929
  248   1HB   PHE  33          2HB       PHE  33  89.957  -1.571   2.104
  249   2HB   PHE  33          3HB       PHE  33  91.419  -1.591   1.114
  250    HD1  PHE  33           HD1      PHE  33  91.151  -1.450  -1.422
  251    HD2  PHE  33           HD2      PHE  33  87.970  -0.646   1.324
  252    HE1  PHE  33           HE1      PHE  33  89.908  -0.243  -3.195
  253    HE2  PHE  33           HE2      PHE  33  86.741   0.555  -0.464
  254    HZ   PHE  33           HZ       PHE  33  87.705   0.739  -2.712
  255    H    LEU  34           HN       LEU  34  87.825  -3.235   1.782
  256    HA   LEU  34           HA       LEU  34  86.657  -3.900  -0.893
  257   1HB   LEU  34          2HB       LEU  34  85.166  -4.813   1.496
  258   2HB   LEU  34          3HB       LEU  34  85.398  -5.611  -0.057
  259    HG   LEU  34           HG       LEU  34  87.924  -5.755   0.889
  260   1HD1  LEU  34          HD13      LEU  34  86.076  -5.734   3.286
  261   2HD1  LEU  34          HD12      LEU  34  87.680  -6.468   3.314
  262   3HD1  LEU  34          HD11      LEU  34  87.508  -4.737   3.029
  263   1HD2  LEU  34          HD21      LEU  34  86.376  -7.575   0.098
  264   2HD2  LEU  34          HD23      LEU  34  87.432  -8.052   1.420
  265   3HD2  LEU  34          HD22      LEU  34  85.741  -7.667   1.729
  266    H    VAL  35           HN       VAL  35  84.310  -3.278  -1.004
  267    HA   VAL  35           HA       VAL  35  83.748  -0.884   0.692
  268    HB   VAL  35           HB       VAL  35  83.084  -1.395  -2.229
  269   1HG1  VAL  35          HG13      VAL  35  81.742   0.301  -0.210
  270   2HG1  VAL  35          HG12      VAL  35  82.196   1.139  -1.691
  271   3HG1  VAL  35          HG11      VAL  35  81.146  -0.275  -1.766
  272   1HG2  VAL  35          HG21      VAL  35  84.631   0.729  -0.744
  273   2HG2  VAL  35          HG23      VAL  35  85.285  -0.456  -1.870
  274   3HG2  VAL  35          HG22      VAL  35  84.227   0.830  -2.452
  275    H    ARG  36           HN       ARG  36  82.057  -1.205   2.018
  276    HA   ARG  36           HA       ARG  36  79.809  -2.926   1.114
  277   1HB   ARG  36          2HB       ARG  36  79.753  -4.126   3.250
  278   2HB   ARG  36          3HB       ARG  36  81.317  -4.377   2.477
  279   1HG   ARG  36          2HG       ARG  36  82.390  -2.801   3.931
  280   2HG   ARG  36          3HG       ARG  36  80.845  -2.212   4.545
  281   1HD   ARG  36          2HD       ARG  36  81.721  -5.086   4.873
  282   2HD   ARG  36          3HD       ARG  36  82.108  -3.845   6.058
  283    HE   ARG  36           HE       ARG  36  79.364  -3.601   5.738
  284   1HH1  ARG  36          HH21      ARG  36  81.570  -6.166   6.356
  285   2HH1  ARG  36          HH22      ARG  36  80.476  -7.056   7.364
  286   1HH2  ARG  36          HH11      ARG  36  77.916  -4.738   7.080
  287   2HH2  ARG  36          HH12      ARG  36  78.415  -6.237   7.787
  288    H    GLU  37           HN       GLU  37  78.133  -2.788   3.193
  289    HA   GLU  37           HA       GLU  37  77.874   0.140   3.620
  290   1HB   GLU  37          2HB       GLU  37  75.948  -0.980   2.579
  291   2HB   GLU  37          3HB       GLU  37  75.886  -2.139   3.902
  292   1HG   GLU  37          2HG       GLU  37  75.403  -0.320   5.488
  293   2HG   GLU  37          3HG       GLU  37  75.479   0.850   4.170
  294    H    SER  38           HN       SER  38  77.103   0.737   5.879
  295    HA   SER  38           HA       SER  38  78.737  -0.680   7.863
  296   1HB   SER  38          2HB       SER  38  78.421   1.742   8.130
  297   2HB   SER  38          3HB       SER  38  76.673   1.534   8.141
  298    HG   SER  38           HG       SER  38  76.774   0.954  10.160
  299    H    SER  39           HN       SER  39  76.392  -1.695   6.253
  300    HA   SER  39           HA       SER  39  74.831  -3.363   6.486
  301   1HB   SER  39          2HB       SER  39  76.350  -4.169   8.377
  302   2HB   SER  39          3HB       SER  39  75.336  -3.244   9.482
  303    HG   SER  39           HG       SER  39  73.644  -4.550   8.068
  304    H    LYS  40           HN       LYS  40  74.600  -1.394   9.466
  305    HA   LYS  40           HA       LYS  40  71.739  -0.870   8.835
  306   1HB   LYS  40          2HB       LYS  40  73.340  -0.459  11.379
  307   2HB   LYS  40          3HB       LYS  40  71.626  -0.083  11.201
  308   1HG   LYS  40          2HG       LYS  40  71.351  -2.536  10.439
  309   2HG   LYS  40          3HG       LYS  40  72.965  -2.791  11.108
  310   1HD   LYS  40          2HD       LYS  40  72.237  -2.036  13.302
  311   2HD   LYS  40          3HD       LYS  40  70.648  -1.603  12.667
  312   1HE   LYS  40          2HE       LYS  40  70.211  -3.962  12.112
  313   2HE   LYS  40          3HE       LYS  40  71.809  -4.408  12.716
  314   1HZ   LYS  40           HZ1      LYS  40  70.453  -2.872  14.651
  315   2HZ   LYS  40           HZ3      LYS  40  69.456  -4.158  14.171
  316   3HZ   LYS  40           HZ2      LYS  40  71.018  -4.470  14.766
  317    H    GLN  41           HN       GLN  41  70.986   1.408   9.378
  318    HA   GLN  41           HA       GLN  41  71.139   3.736   9.117
  319   1HB   GLN  41          2HB       GLN  41  74.143   3.376   9.286
  320   2HB   GLN  41          3HB       GLN  41  73.219   4.836   9.616
  321   1HG   GLN  41          2HG       GLN  41  72.380   2.491  11.198
  322   2HG   GLN  41          3HG       GLN  41  74.015   3.055  11.538
  323   1HE2  GLN  41          HE22      GLN  41  70.900   5.659  12.239
  324   2HE2  GLN  41          HE21      GLN  41  70.720   4.473  11.037
  325    H    GLY  42           HN       GLY  42  71.799   1.562   6.920
  326   1HA   GLY  42          2HA       GLY  42  72.496   1.560   4.658
  327   2HA   GLY  42          3HA       GLY  42  71.547   3.046   4.630
  328    H    CYS  43           HN       CYS  43  74.455   2.798   6.581
  329    HA   CYS  43           HA       CYS  43  75.629   5.009   5.026
  330   1HB   CYS  43          2HB       CYS  43  75.698   4.915   7.560
  331   2HB   CYS  43          3HB       CYS  43  76.835   3.577   7.406
  332    HG   CYS  43           HG       CYS  43  77.431   6.470   6.375
  333    H    TYR  44           HN       TYR  44  77.316   4.812   3.625
  334    HA   TYR  44           HA       TYR  44  78.136   2.118   2.822
  335   1HB   TYR  44          2HB       TYR  44  78.947   4.881   1.873
  336   2HB   TYR  44          3HB       TYR  44  79.552   3.390   1.155
  337    HD1  TYR  44           HD2      TYR  44  76.590   5.535   1.653
  338    HD2  TYR  44           HD1      TYR  44  78.089   1.947  -0.179
  339    HE1  TYR  44           HE2      TYR  44  74.537   5.379   0.271
  340    HE2  TYR  44           HE1      TYR  44  76.035   1.794  -1.560
  341    HH   TYR  44           HH       TYR  44  73.268   3.316  -0.904
  342    H    ALA  45           HN       ALA  45  80.372   1.350   2.957
  343    HA   ALA  45           HA       ALA  45  82.236   2.979   4.550
  344   1HB   ALA  45           HB3      ALA  45  81.085   0.367   5.568
  345   2HB   ALA  45           HB2      ALA  45  82.498   1.159   6.263
  346   3HB   ALA  45           HB1      ALA  45  80.924   1.955   6.318
  347    H    CYS  46           HN       CYS  46  84.371   2.393   4.170
  348    HA   CYS  46           HA       CYS  46  84.745   0.088   2.318
  349   1HB   CYS  46          2HB       CYS  46  86.564   2.465   2.808
  350   2HB   CYS  46          3HB       CYS  46  86.852   1.172   1.641
  351    HG   CYS  46           HG       CYS  46  84.674   1.956   0.365
  352    H    SER  47           HN       SER  47  85.541  -1.683   3.277
  353    HA   SER  47           HA       SER  47  86.908  -1.442   5.889
  354   1HB   SER  47          2HB       SER  47  85.958  -3.819   4.279
  355   2HB   SER  47          3HB       SER  47  86.745  -3.943   5.846
  356    HG   SER  47           HG       SER  47  84.438  -2.369   5.359
  357    H    VAL  48           HN       VAL  48  89.128  -1.518   6.033
  358    HA   VAL  48           HA       VAL  48  90.607  -2.813   3.792
  359    HB   VAL  48           HB       VAL  48  91.662  -0.899   3.204
  360   1HG1  VAL  48          HG11      VAL  48  89.709   0.329   5.176
  361   2HG1  VAL  48          HG13      VAL  48  90.570   1.217   3.919
  362   3HG1  VAL  48          HG12      VAL  48  89.386  -0.014   3.479
  363   1HG2  VAL  48          HG23      VAL  48  92.015  -0.446   6.186
  364   2HG2  VAL  48          HG22      VAL  48  93.231  -0.975   5.021
  365   3HG2  VAL  48          HG21      VAL  48  92.616   0.675   4.964
  366    H    VAL  49           HN       VAL  49  92.553  -3.843   4.398
  367    HA   VAL  49           HA       VAL  49  92.853  -4.324   7.311
  368    HB   VAL  49           HB       VAL  49  94.232  -5.600   4.931
  369   1HG1  VAL  49          HG11      VAL  49  94.387  -6.080   7.903
  370   2HG1  VAL  49          HG13      VAL  49  94.759  -7.363   6.755
  371   3HG1  VAL  49          HG12      VAL  49  95.711  -5.879   6.758
  372   1HG2  VAL  49          HG23      VAL  49  91.936  -6.463   6.695
  373   2HG2  VAL  49          HG22      VAL  49  91.897  -6.190   4.955
  374   3HG2  VAL  49          HG21      VAL  49  92.788  -7.561   5.616
  375    H    VAL  50           HN       VAL  50  94.775  -3.765   8.443
  376    HA   VAL  50           HA       VAL  50  96.707  -2.157   6.836
  377    HB   VAL  50           HB       VAL  50  95.052  -1.055   8.668
  378   1HG1  VAL  50          HG11      VAL  50  96.008  -2.453  10.479
  379   2HG1  VAL  50          HG13      VAL  50  97.574  -1.703  10.207
  380   3HG1  VAL  50          HG12      VAL  50  96.218  -0.736  10.776
  381   1HG2  VAL  50          HG23      VAL  50  97.771  -0.417   7.672
  382   2HG2  VAL  50          HG22      VAL  50  96.288   0.522   7.536
  383   3HG2  VAL  50          HG21      VAL  50  97.209   0.535   9.039
  384    H    ASP  51           HN       ASP  51  98.902  -2.122   7.728
  385    HA   ASP  51           HA       ASP  51  99.815  -4.747   8.381
  386   1HB   ASP  51          2HB       ASP  51 101.184  -3.048   7.185
  387   2HB   ASP  51          3HB       ASP  51 101.299  -2.117   8.683
  388    H    GLY  52           HN       GLY  52  98.043  -4.523  10.340
  389   1HA   GLY  52          2HA       GLY  52  99.443  -5.027  12.702
  390   2HA   GLY  52          3HA       GLY  52  99.081  -3.304  12.755
  391    H    GLU  53           HN       GLU  53  96.468  -3.606  11.368
  392    HA   GLU  53           HA       GLU  53  94.887  -5.416  13.054
  393   1HB   GLU  53          2HB       GLU  53  94.661  -2.415  13.425
  394   2HB   GLU  53          3HB       GLU  53  93.527  -3.594  14.080
  395   1HG   GLU  53          2HG       GLU  53  95.490  -4.685  15.257
  396   2HG   GLU  53          3HG       GLU  53  96.461  -3.295  14.768
  397    H    VAL  54           HN       VAL  54  92.512  -5.188  12.566
  398    HA   VAL  54           HA       VAL  54  92.143  -4.456   9.702
  399    HB   VAL  54           HB       VAL  54  90.664  -6.230  11.639
  400   1HG1  VAL  54          HG11      VAL  54  89.646  -5.076   9.025
  401   2HG1  VAL  54          HG13      VAL  54  88.959  -6.512   9.784
  402   3HG1  VAL  54          HG12      VAL  54  88.888  -4.959  10.614
  403   1HG2  VAL  54          HG22      VAL  54  91.845  -6.548   8.870
  404   2HG2  VAL  54          HG21      VAL  54  92.446  -7.260  10.365
  405   3HG2  VAL  54          HG23      VAL  54  90.912  -7.803   9.682
  406    H    LYS  55           HN       LYS  55  91.067  -2.575   9.208
  407    HA   LYS  55           HA       LYS  55  89.384  -1.401  11.393
  408   1HB   LYS  55          2HB       LYS  55  90.820   0.183   9.258
  409   2HB   LYS  55          3HB       LYS  55  90.087   0.782  10.747
  410   1HG   LYS  55          2HG       LYS  55  92.171   0.609  11.631
  411   2HG   LYS  55          3HG       LYS  55  91.830  -1.120  11.699
  412   1HD   LYS  55          2HD       LYS  55  93.781  -1.195  10.468
  413   2HD   LYS  55          3HD       LYS  55  92.626  -1.005   9.150
  414   1HE   LYS  55          2HE       LYS  55  93.092   1.606   9.966
  415   2HE   LYS  55          3HE       LYS  55  94.679   0.849  10.107
  416   1HZ   LYS  55           HZ2      LYS  55  93.014   0.467   7.701
  417   2HZ   LYS  55           HZ1      LYS  55  94.006   1.838   7.866
  418   3HZ   LYS  55           HZ3      LYS  55  94.692   0.287   7.868
  419    H    HIS  56           HN       HIS  56  87.411  -0.475  10.818
  420    HA   HIS  56           HA       HIS  56  86.490  -1.075   8.038
  421   1HB   HIS  56          2HB       HIS  56  84.882  -0.831  10.604
  422   2HB   HIS  56          3HB       HIS  56  84.212  -1.171   9.011
  423    HD1  HIS  56           HD1      HIS  56  85.309  -2.896  11.955
  424    HD2  HIS  56           HD2      HIS  56  85.594  -3.657   7.863
  425    HE1  HIS  56           HE1      HIS  56  85.792  -5.375  11.714
  426    H    CYS  57           HN       CYS  57  87.222   0.987   7.231
  427    HA   CYS  57           HA       CYS  57  86.506   3.490   8.452
  428   1HB   CYS  57          2HB       CYS  57  87.327   2.724   5.643
  429   2HB   CYS  57          3HB       CYS  57  86.984   4.392   6.099
  430    HG   CYS  57           HG       CYS  57  89.603   3.598   6.414
  431    H    VAL  58           HN       VAL  58  84.695   4.759   8.164
  432    HA   VAL  58           HA       VAL  58  82.457   3.482   6.670
  433    HB   VAL  58           HB       VAL  58  82.290   3.991   9.178
  434   1HG1  VAL  58          HG11      VAL  58  83.358   6.303   8.829
  435   2HG1  VAL  58          HG13      VAL  58  81.786   6.806   8.208
  436   3HG1  VAL  58          HG12      VAL  58  81.933   6.236   9.869
  437   1HG2  VAL  58          HG22      VAL  58  80.285   5.141   7.213
  438   2HG2  VAL  58          HG21      VAL  58  80.294   3.510   7.883
  439   3HG2  VAL  58          HG23      VAL  58  79.950   4.889   8.927
  440    H    ILE  59           HN       ILE  59  81.532   4.535   4.965
  441    HA   ILE  59           HA       ILE  59  82.392   7.344   4.467
  442    HB   ILE  59           HB       ILE  59  81.890   5.165   2.412
  443   1HG1  ILE  59          HG12      ILE  59  84.408   6.570   3.356
  444   2HG1  ILE  59          HG11      ILE  59  84.022   4.857   3.538
  445   1HG2  ILE  59          HG23      ILE  59  81.448   7.829   2.034
  446   2HG2  ILE  59          HG22      ILE  59  83.169   7.737   1.658
  447   3HG2  ILE  59          HG21      ILE  59  82.017   6.748   0.763
  448   1HD1  ILE  59          HD12      ILE  59  83.839   4.785   0.987
  449   2HD1  ILE  59          HD11      ILE  59  84.601   6.372   0.996
  450   3HD1  ILE  59          HD13      ILE  59  85.464   4.981   1.648
  451    H    ASN  60           HN       ASN  60  80.758   8.767   3.714
  452    HA   ASN  60           HA       ASN  60  77.991   7.610   3.869
  453   1HB   ASN  60          2HB       ASN  60  78.572   9.275   5.654
  454   2HB   ASN  60          3HB       ASN  60  78.868  10.471   4.388
  455   1HD2  ASN  60          HD22      ASN  60  74.994   9.135   4.780
  456   2HD2  ASN  60          HD21      ASN  60  76.270   8.046   5.013
  457    H    LYS  61           HN       LYS  61  77.014   7.541   1.861
  458    HA   LYS  61           HA       LYS  61  78.141   9.182  -0.306
  459   1HB   LYS  61          2HB       LYS  61  77.430   6.851  -0.754
  460   2HB   LYS  61          3HB       LYS  61  75.772   7.292  -0.342
  461   1HG   LYS  61          2HG       LYS  61  75.913   9.073  -2.149
  462   2HG   LYS  61          3HG       LYS  61  77.435   8.335  -2.649
  463   1HD   LYS  61          2HD       LYS  61  76.245   6.156  -2.926
  464   2HD   LYS  61          3HD       LYS  61  74.730   6.975  -2.541
  465   1HE   LYS  61          2HE       LYS  61  76.564   7.663  -4.855
  466   2HE   LYS  61          3HE       LYS  61  75.028   6.803  -4.981
  467   1HZ   LYS  61           HZ3      LYS  61  73.998   8.789  -3.896
  468   2HZ   LYS  61           HZ2      LYS  61  75.472   9.602  -4.109
  469   3HZ   LYS  61           HZ1      LYS  61  74.593   9.059  -5.458
  470    H    THR  62           HN       THR  62  77.505  11.244  -0.503
  471    HA   THR  62           HA       THR  62  74.620  11.888  -0.391
  472    HB   THR  62           HB       THR  62  76.677  13.413   1.222
  473    HG1  THR  62           HG1      THR  62  75.657  12.526   2.992
  474   1HG2  THR  62          HG21      THR  62  73.804  13.828   0.529
  475   2HG2  THR  62          HG23      THR  62  74.341  14.288   2.146
  476   3HG2  THR  62          HG22      THR  62  75.095  15.014   0.726
  477    H    ALA  63           HN       ALA  63  74.251  14.122  -1.267
  478    HA   ALA  63           HA       ALA  63  75.618  14.551  -3.709
  479   1HB   ALA  63           HB1      ALA  63  73.969  16.399  -1.964
  480   2HB   ALA  63           HB3      ALA  63  74.560  16.868  -3.559
  481   3HB   ALA  63           HB2      ALA  63  73.437  15.518  -3.396
  482    H    THR  64           HN       THR  64  75.959  16.314  -0.594
  483    HA   THR  64           HA       THR  64  78.603  17.274  -1.559
  484    HB   THR  64           HB       THR  64  78.214  19.107   0.089
  485    HG1  THR  64           HG1      THR  64  76.138  19.306   0.924
  486   1HG2  THR  64          HG22      THR  64  76.437  18.607  -2.259
  487   2HG2  THR  64          HG21      THR  64  76.179  20.051  -1.279
  488   3HG2  THR  64          HG23      THR  64  77.732  19.791  -2.073
  489    H    GLY  65           HN       GLY  65  77.739  14.756   0.166
  490   1HA   GLY  65          2HA       GLY  65  79.407  15.432   2.551
  491   2HA   GLY  65          3HA       GLY  65  78.243  14.116   2.503
  492    H    TYR  66           HN       TYR  66  78.815  12.245   1.071
  493    HA   TYR  66           HA       TYR  66  80.324  10.615   0.305
  494   1HB   TYR  66          2HB       TYR  66  82.300  12.918   0.142
  495   2HB   TYR  66          3HB       TYR  66  82.545  11.306  -0.514
  496    HD1  TYR  66           HD1      TYR  66  80.942  10.434  -2.272
  497    HD2  TYR  66           HD2      TYR  66  81.070  14.553  -1.068
  498    HE1  TYR  66           HE1      TYR  66  79.745  11.075  -4.347
  499    HE2  TYR  66           HE2      TYR  66  79.873  15.196  -3.141
  500    HH   TYR  66           HH       TYR  66  78.457  12.806  -5.245
  501    H    GLY  67           HN       GLY  67  83.046  10.281   0.915
  502   1HA   GLY  67          2HA       GLY  67  82.988   9.184   3.495
  503   2HA   GLY  67          3HA       GLY  67  84.469   9.593   2.639
  504    H    PHE  68           HN       PHE  68  85.719  11.087   3.622
  505    HA   PHE  68           HA       PHE  68  85.028  12.363   6.062
  506   1HB   PHE  68          2HB       PHE  68  87.106  13.224   4.030
  507   2HB   PHE  68          3HB       PHE  68  87.085  13.664   5.735
  508    HD1  PHE  68           HD1      PHE  68  86.537  11.267   7.208
  509    HD2  PHE  68           HD2      PHE  68  88.809  11.696   3.581
  510    HE1  PHE  68           HE1      PHE  68  87.799   9.199   7.745
  511    HE2  PHE  68           HE2      PHE  68  90.063   9.631   4.122
  512    HZ   PHE  68           HZ       PHE  68  89.563   8.380   6.203
  513    H    ALA  69           HN       ALA  69  85.106  13.652   2.739
  514    HA   ALA  69           HA       ALA  69  83.932  15.451   1.794
  515   1HB   ALA  69           HB2      ALA  69  82.174  14.419   3.580
  516   2HB   ALA  69           HB1      ALA  69  82.401  16.018   4.281
  517   3HB   ALA  69           HB3      ALA  69  81.830  15.856   2.622
  518    H    GLU  70           HN       GLU  70  86.141  15.652   4.163
  519    HA   GLU  70           HA       GLU  70  85.809  18.604   4.458
  520   1HB   GLU  70          2HB       GLU  70  87.386  16.641   6.148
  521   2HB   GLU  70          3HB       GLU  70  87.414  18.391   6.371
  522   1HG   GLU  70          2HG       GLU  70  85.029  18.429   6.831
  523   2HG   GLU  70          3HG       GLU  70  84.887  16.712   6.453
  524    HA   PRO  71           HA       PRO  71  90.215  18.023   2.768
  525   1HB   PRO  71          2HB       PRO  71  91.049  15.592   1.961
  526   2HB   PRO  71          3HB       PRO  71  91.026  16.047   3.677
  527   1HG   PRO  71          2HG       PRO  71  89.251  14.237   2.191
  528   2HG   PRO  71          3HG       PRO  71  89.671  14.250   3.902
  529   1HD   PRO  71          2HD       PRO  71  87.290  15.315   2.689
  530   2HD   PRO  71          3HD       PRO  71  87.756  15.385   4.403
  531    H    TYR  72           HN       TYR  72  87.867  18.484   1.208
  532    HA   TYR  72           HA       TYR  72  87.213  18.755  -1.021
  533   1HB   TYR  72          2HB       TYR  72  90.134  18.099  -1.483
  534   2HB   TYR  72          3HB       TYR  72  89.043  18.712  -2.723
  535    HD1  TYR  72           HD2      TYR  72  87.978  20.977  -2.437
  536    HD2  TYR  72           HD1      TYR  72  91.078  19.546   0.169
  537    HE1  TYR  72           HE2      TYR  72  88.365  23.290  -1.628
  538    HE2  TYR  72           HE1      TYR  72  91.466  21.856   0.977
  539    HH   TYR  72           HH       TYR  72  89.392  24.264   0.711
  540    H    ASN  73           HN       ASN  73  86.450  16.351   0.012
  541    HA   ASN  73           HA       ASN  73  87.271  14.290  -1.968
  542   1HB   ASN  73          2HB       ASN  73  85.700  14.122   0.614
  543   2HB   ASN  73          3HB       ASN  73  85.947  12.751  -0.471
  544   1HD2  ASN  73          HD22      ASN  73  89.668  13.891   0.367
  545   2HD2  ASN  73          HD21      ASN  73  88.678  14.635  -0.795
  546    H    LEU  74           HN       LEU  74  85.168  16.677  -2.144
  547    HA   LEU  74           HA       LEU  74  82.643  15.372  -2.629
  548   1HB   LEU  74          2HB       LEU  74  83.721  17.989  -3.728
  549   2HB   LEU  74          3HB       LEU  74  82.034  17.477  -3.784
  550    HG   LEU  74           HG       LEU  74  83.628  17.820  -1.228
  551   1HD1  LEU  74          HD12      LEU  74  82.096  19.705  -2.910
  552   2HD1  LEU  74          HD11      LEU  74  81.670  19.725  -1.199
  553   3HD1  LEU  74          HD13      LEU  74  83.335  20.032  -1.695
  554   1HD2  LEU  74          HD22      LEU  74  81.047  16.652  -1.892
  555   2HD2  LEU  74          HD21      LEU  74  81.912  16.643  -0.354
  556   3HD2  LEU  74          HD23      LEU  74  80.867  18.000  -0.769
  557    H    TYR  75           HN       TYR  75  83.965  13.580  -3.854
  558    HA   TYR  75           HA       TYR  75  84.728  14.181  -6.591
  559   1HB   TYR  75          2HB       TYR  75  84.315  11.586  -5.090
  560   2HB   TYR  75          3HB       TYR  75  84.786  11.650  -6.786
  561    HD1  TYR  75           HD1      TYR  75  86.774  13.278  -7.340
  562    HD2  TYR  75           HD2      TYR  75  86.023  11.588  -3.464
  563    HE1  TYR  75           HE1      TYR  75  89.140  13.676  -6.713
  564    HE2  TYR  75           HE2      TYR  75  88.393  11.989  -2.833
  565    HH   TYR  75           HH       TYR  75  90.319  13.988  -4.092
  566    H    SER  76           HN       SER  76  83.599  13.676  -8.483
  567    HA   SER  76           HA       SER  76  80.780  14.016  -8.435
  568   1HB   SER  76          2HB       SER  76  82.275  14.452 -10.407
  569   2HB   SER  76          3HB       SER  76  82.386  12.709 -10.639
  570    HG   SER  76           HG       SER  76  79.848  13.819 -10.347
  571    H    SER  77           HN       SER  77  82.742  11.052  -8.605
  572    HA   SER  77           HA       SER  77  80.222   9.545  -8.032
  573   1HB   SER  77          2HB       SER  77  80.768   7.875  -9.639
  574   2HB   SER  77          3HB       SER  77  81.015   9.408 -10.465
  575    HG   SER  77           HG       SER  77  83.092   8.098  -9.065
  576    H    LEU  78           HN       LEU  78  80.588   7.511  -6.929
  577    HA   LEU  78           HA       LEU  78  82.572   7.664  -4.868
  578   1HB   LEU  78          2HB       LEU  78  80.895   5.322  -5.818
  579   2HB   LEU  78          3HB       LEU  78  81.846   5.342  -4.326
  580    HG   LEU  78           HG       LEU  78  79.655   7.319  -5.003
  581   1HD1  LEU  78          HD12      LEU  78  79.467   4.641  -4.090
  582   2HD1  LEU  78          HD11      LEU  78  79.151   5.676  -2.695
  583   3HD1  LEU  78          HD13      LEU  78  78.181   5.846  -4.157
  584   1HD2  LEU  78          HD22      LEU  78  81.730   7.133  -2.926
  585   2HD2  LEU  78          HD21      LEU  78  80.772   8.524  -3.435
  586   3HD2  LEU  78          HD23      LEU  78  80.103   7.363  -2.286
  587    H    LYS  79           HN       LYS  79  82.563   6.212  -8.048
  588    HA   LYS  79           HA       LYS  79  84.679   4.355  -7.683
  589   1HB   LYS  79          2HB       LYS  79  83.890   6.024 -10.089
  590   2HB   LYS  79          3HB       LYS  79  85.076   4.717 -10.147
  591   1HG   LYS  79          2HG       LYS  79  83.371   3.129  -9.321
  592   2HG   LYS  79          3HG       LYS  79  82.181   4.436  -9.284
  593   1HD   LYS  79          2HD       LYS  79  82.477   4.770 -11.712
  594   2HD   LYS  79          3HD       LYS  79  83.648   3.454 -11.750
  595   1HE   LYS  79          2HE       LYS  79  81.475   2.604 -12.452
  596   2HE   LYS  79          3HE       LYS  79  81.883   1.916 -10.881
  597   1HZ   LYS  79           HZ2      LYS  79  80.588   4.297 -10.359
  598   2HZ   LYS  79           HZ1      LYS  79  79.684   3.550 -11.590
  599   3HZ   LYS  79           HZ3      LYS  79  79.978   2.726 -10.137
  600    H    GLU  80           HN       GLU  80  84.748   7.811  -8.551
  601    HA   GLU  80           HA       GLU  80  87.588   8.027  -8.789
  602   1HB   GLU  80          2HB       GLU  80  85.461  10.040  -8.046
  603   2HB   GLU  80          3HB       GLU  80  87.149  10.477  -8.295
  604   1HG   GLU  80          2HG       GLU  80  87.078   9.653 -10.571
  605   2HG   GLU  80          3HG       GLU  80  85.444   9.039 -10.334
  606    H    LEU  81           HN       LEU  81  85.398   8.286  -6.015
  607    HA   LEU  81           HA       LEU  81  87.262   9.261  -4.117
  608   1HB   LEU  81          2HB       LEU  81  84.802   8.997  -3.740
  609   2HB   LEU  81          3HB       LEU  81  85.042   7.253  -3.610
  610    HG   LEU  81           HG       LEU  81  86.614   9.188  -1.904
  611   1HD1  LEU  81          HD12      LEU  81  83.883   9.102  -1.775
  612   2HD1  LEU  81          HD11      LEU  81  84.317   7.815  -0.648
  613   3HD1  LEU  81          HD13      LEU  81  84.928   9.451  -0.399
  614   1HD2  LEU  81          HD23      LEU  81  86.404   6.301  -2.198
  615   2HD2  LEU  81          HD22      LEU  81  87.580   7.246  -1.290
  616   3HD2  LEU  81          HD21      LEU  81  86.050   6.797  -0.546
  617    H    VAL  82           HN       VAL  82  86.579   5.928  -5.180
  618    HA   VAL  82           HA       VAL  82  88.375   4.672  -3.346
  619    HB   VAL  82           HB       VAL  82  87.474   3.805  -6.105
  620   1HG1  VAL  82          HG12      VAL  82  89.200   2.547  -4.019
  621   2HG1  VAL  82          HG11      VAL  82  88.043   1.511  -4.857
  622   3HG1  VAL  82          HG13      VAL  82  89.266   2.389  -5.777
  623   1HG2  VAL  82          HG23      VAL  82  86.470   3.350  -3.290
  624   2HG2  VAL  82          HG22      VAL  82  85.574   3.971  -4.677
  625   3HG2  VAL  82          HG21      VAL  82  86.037   2.271  -4.616
  626    H    LEU  83           HN       LEU  83  88.870   5.858  -6.703
  627    HA   LEU  83           HA       LEU  83  91.615   5.068  -6.902
  628   1HB   LEU  83          2HB       LEU  83  90.022   7.256  -8.257
  629   2HB   LEU  83          3HB       LEU  83  91.726   6.972  -8.622
  630    HG   LEU  83           HG       LEU  83  90.964   4.483  -8.930
  631   1HD1  LEU  83          HD12      LEU  83  88.387   6.041  -9.167
  632   2HD1  LEU  83          HD11      LEU  83  88.613   4.454  -9.892
  633   3HD1  LEU  83          HD13      LEU  83  88.710   4.642  -8.142
  634   1HD2  LEU  83          HD23      LEU  83  90.257   6.675 -10.906
  635   2HD2  LEU  83          HD22      LEU  83  91.834   5.903 -10.733
  636   3HD2  LEU  83          HD21      LEU  83  90.457   4.971 -11.317
  637    H    HIS  84           HN       HIS  84  90.062   7.982  -5.634
  638    HA   HIS  84           HA       HIS  84  92.384   9.577  -5.280
  639   1HB   HIS  84          2HB       HIS  84  90.079  10.422  -5.010
  640   2HB   HIS  84          3HB       HIS  84  89.915   9.474  -3.536
  641    HD1  HIS  84           HD1      HIS  84  89.891  11.253  -1.769
  642    HD2  HIS  84           HD2      HIS  84  93.052  11.753  -4.439
  643    HE1  HIS  84           HE1      HIS  84  91.333  13.106  -0.828
  644    H    TYR  85           HN       TYR  85  90.901   7.255  -2.946
  645    HA   TYR  85           HA       TYR  85  92.899   7.762  -0.926
  646   1HB   TYR  85          2HB       TYR  85  90.999   5.456  -1.378
  647   2HB   TYR  85          3HB       TYR  85  92.160   5.464  -0.057
  648    HD1  TYR  85           HD2      TYR  85  90.003   8.149  -1.560
  649    HD2  TYR  85           HD1      TYR  85  91.093   5.928   1.952
  650    HE1  TYR  85           HE2      TYR  85  88.483   9.552  -0.199
  651    HE2  TYR  85           HE1      TYR  85  89.570   7.332   3.314
  652    HH   TYR  85           HH       TYR  85  87.859   8.823   3.196
  653    H    GLN  86           HN       GLN  86  92.794   5.684  -3.730
  654    HA   GLN  86           HA       GLN  86  94.866   3.869  -3.042
  655   1HB   GLN  86          2HB       GLN  86  93.415   3.649  -5.044
  656   2HB   GLN  86          3HB       GLN  86  94.212   5.048  -5.766
  657   1HG   GLN  86          2HG       GLN  86  96.053   2.945  -4.816
  658   2HG   GLN  86          3HG       GLN  86  94.999   2.460  -6.146
  659   1HE2  GLN  86          HE22      GLN  86  97.035   4.091  -8.474
  660   2HE2  GLN  86          HE21      GLN  86  96.054   2.761  -8.082
  661    H    HIS  87           HN       HIS  87  94.997   7.169  -4.363
  662    HA   HIS  87           HA       HIS  87  97.946   7.066  -4.505
  663   1HB   HIS  87          2HB       HIS  87  96.569   8.358  -6.171
  664   2HB   HIS  87          3HB       HIS  87  96.115   9.454  -4.865
  665    HD1  HIS  87           HD1      HIS  87  99.372   8.058  -6.329
  666    HD2  HIS  87           HD2      HIS  87  97.862  11.554  -4.627
  667    HE1  HIS  87           HE1      HIS  87 101.234   9.774  -6.440
  668    H    THR  88           HN       THR  88  95.413   8.461  -2.464
  669    HA   THR  88           HA       THR  88  97.415   9.755  -0.718
  670    HB   THR  88           HB       THR  88  95.204  10.250   0.588
  671    HG1  THR  88           HG1      THR  88  94.340   9.216  -1.878
  672   1HG2  THR  88          HG22      THR  88  95.790  11.385  -2.154
  673   2HG2  THR  88          HG21      THR  88  94.712  12.132  -0.977
  674   3HG2  THR  88          HG23      THR  88  96.431  11.971  -0.618
  675    H    SER  89           HN       SER  89  97.976   9.017   1.258
  676    HA   SER  89           HA       SER  89  97.204   6.251   1.938
  677   1HB   SER  89          2HB       SER  89  99.363   8.133   2.863
  678   2HB   SER  89          3HB       SER  89  99.073   6.577   3.643
  679    HG   SER  89           HG       SER  89  99.391   5.604   1.598
  680    H    LEU  90           HN       LEU  90  96.104   5.707   3.795
  681    HA   LEU  90           HA       LEU  90  94.347   7.621   4.942
  682   1HB   LEU  90          2HB       LEU  90  95.222   4.887   5.885
  683   2HB   LEU  90          3HB       LEU  90  93.954   5.825   6.677
  684    HG   LEU  90           HG       LEU  90  93.708   5.550   3.732
  685   1HD1  LEU  90          HD12      LEU  90  93.486   3.231   5.663
  686   2HD1  LEU  90          HD11      LEU  90  92.550   3.277   4.168
  687   3HD1  LEU  90          HD13      LEU  90  94.313   3.284   4.106
  688   1HD2  LEU  90          HD22      LEU  90  91.795   5.274   6.078
  689   2HD2  LEU  90          HD21      LEU  90  92.039   6.728   5.108
  690   3HD2  LEU  90          HD23      LEU  90  91.328   5.290   4.378
  691    H    VAL  91           HN       VAL  91  97.461   6.358   6.192
  692    HA   VAL  91           HA       VAL  91  98.369   6.869   8.426
  693    HB   VAL  91           HB       VAL  91  98.594   9.294   6.606
  694   1HG1  VAL  91          HG12      VAL  91  99.109   9.706   9.073
  695   2HG1  VAL  91          HG11      VAL  91 100.405   8.525   8.901
  696   3HG1  VAL  91          HG13      VAL  91 100.440  10.015   7.958
  697   1HG2  VAL  91          HG23      VAL  91 100.367   6.896   7.114
  698   2HG2  VAL  91          HG22      VAL  91  99.479   7.245   5.634
  699   3HG2  VAL  91          HG21      VAL  91 100.820   8.280   6.122
  700    H    GLN  92           HN       GLN  92  97.183  10.103   7.568
  701    HA   GLN  92           HA       GLN  92  95.618  11.485   8.652
  702   1HB   GLN  92          2HB       GLN  92  94.606   8.929   9.078
  703   2HB   GLN  92          3HB       GLN  92  94.736   9.602  10.703
  704   1HG   GLN  92          2HG       GLN  92  92.581  10.258   9.923
  705   2HG   GLN  92          3HG       GLN  92  93.593  11.692   9.773
  706   1HE2  GLN  92          HE22      GLN  92  91.894  11.462   6.518
  707   2HE2  GLN  92          HE21      GLN  92  91.500  11.869   8.120
  708    H    HIS  93           HN       HIS  93  95.053  12.015  11.175
  709    HA   HIS  93           HA       HIS  93  97.486  12.924  12.336
  710   1HB   HIS  93          2HB       HIS  93  94.704  12.564  13.468
  711   2HB   HIS  93          3HB       HIS  93  96.024  13.276  14.401
  712    HD1  HIS  93           HD1      HIS  93  97.195  15.432  13.257
  713    HD2  HIS  93           HD2      HIS  93  93.478  14.351  11.704
  714    HE1  HIS  93           HE1      HIS  93  96.381  17.409  11.905
  715    H    ASN  94           HN       ASN  94  95.539  10.016  12.973
  716    HA   ASN  94           HA       ASN  94  96.868   9.084  15.275
  717   1HB   ASN  94          2HB       ASN  94  94.879   8.003  14.115
  718   2HB   ASN  94          3HB       ASN  94  96.019   7.318  12.955
  719   1HD2  ASN  94          HD22      ASN  94  97.239   6.076  16.581
  720   2HD2  ASN  94          HD21      ASN  94  97.417   7.678  16.052
  721    H    ASP  95           HN       ASP  95  97.913   9.362  11.997
  722    HA   ASP  95           HA       ASP  95  99.978   9.036  10.975
  723   1HB   ASP  95          2HB       ASP  95 100.836   9.000  13.878
  724   2HB   ASP  95          3HB       ASP  95 101.970   8.948  12.530
  725    H    SER  96           HN       SER  96  98.267   6.622  11.963
  726    HA   SER  96           HA       SER  96 100.482   4.685  11.527
  727   1HB   SER  96          2HB       SER  96  98.169   4.281  13.437
  728   2HB   SER  96          3HB       SER  96  99.442   3.113  13.094
  729    HG   SER  96           HG       SER  96 100.028   4.239  14.921
  730    H    LEU  97           HN       LEU  97  97.894   5.908  10.095
  731    HA   LEU  97           HA       LEU  97  96.848   3.290   9.138
  732   1HB   LEU  97          2HB       LEU  97  95.906   6.122   8.552
  733   2HB   LEU  97          3HB       LEU  97  95.085   4.633   8.074
  734    HG   LEU  97           HG       LEU  97  95.672   5.432  10.940
  735   1HD1  LEU  97          HD13      LEU  97  93.879   6.717   9.464
  736   2HD1  LEU  97          HD12      LEU  97  92.912   5.277   9.783
  737   3HD1  LEU  97          HD11      LEU  97  93.510   6.253  11.127
  738   1HD2  LEU  97          HD21      LEU  97  94.742   2.989   9.611
  739   2HD2  LEU  97          HD23      LEU  97  95.324   3.213  11.260
  740   3HD2  LEU  97          HD22      LEU  97  93.637   3.541  10.870
  741    H    ASN  98           HN       ASN  98  99.407   3.555   8.377
  742    HA   ASN  98           HA       ASN  98  99.672   5.070   5.908
  743   1HB   ASN  98          2HB       ASN  98 101.594   4.565   7.428
  744   2HB   ASN  98          3HB       ASN  98 101.449   2.862   6.984
  745   1HD2  ASN  98          HD22      ASN  98 102.558   5.469   3.992
  746   2HD2  ASN  98          HD21      ASN  98 101.425   5.976   5.150
  747    H    VAL  99           HN       VAL  99  97.755   4.128   4.847
  748    HA   VAL  99           HA       VAL  99  98.556   1.851   3.172
  749    HB   VAL  99           HB       VAL  99  96.140   1.729   4.989
  750   1HG1  VAL  99          HG12      VAL  99  95.512   1.038   2.701
  751   2HG1  VAL  99          HG11      VAL  99  96.873  -0.085   2.671
  752   3HG1  VAL  99          HG13      VAL  99  95.541  -0.342   3.799
  753   1HG2  VAL  99          HG23      VAL  99  98.547  -0.060   4.569
  754   2HG2  VAL  99          HG22      VAL  99  98.193   0.906   6.000
  755   3HG2  VAL  99          HG21      VAL  99  97.166  -0.463   5.582
  756    H    THR 100           HN       THR 100  97.419   1.792   1.237
  757    HA   THR 100           HA       THR 100  95.526   4.063   0.769
  758    HB   THR 100           HB       THR 100  96.418   4.255  -1.484
  759    HG1  THR 100           HG1      THR 100  97.047   2.336  -2.143
  760   1HG2  THR 100          HG21      THR 100  98.055   4.579   0.883
  761   2HG2  THR 100          HG23      THR 100  99.053   4.257  -0.534
  762   3HG2  THR 100          HG22      THR 100  97.933   5.621  -0.538
  763    H    LEU 101           HN       LEU 101  93.807   3.581  -0.770
  764    HA   LEU 101           HA       LEU 101  93.039   0.741  -0.697
  765   1HB   LEU 101          2HB       LEU 101  91.643   3.093  -2.017
  766   2HB   LEU 101          3HB       LEU 101  90.950   1.504  -1.719
  767    HG   LEU 101           HG       LEU 101  91.948   3.379   0.436
  768   1HD1  LEU 101          HD11      LEU 101  89.593   3.530  -1.070
  769   2HD1  LEU 101          HD13      LEU 101  89.108   2.764   0.443
  770   3HD1  LEU 101          HD12      LEU 101  89.911   4.334   0.466
  771   1HD2  LEU 101          HD23      LEU 101  91.300   0.566   0.444
  772   2HD2  LEU 101          HD22      LEU 101  91.858   1.570   1.777
  773   3HD2  LEU 101          HD21      LEU 101  90.134   1.438   1.433
  774    H    ALA 102           HN       ALA 102  95.064   0.261  -1.990
  775    HA   ALA 102           HA       ALA 102  94.679   0.801  -4.885
  776   1HB   ALA 102           HB1      ALA 102  96.908   1.109  -3.313
  777   2HB   ALA 102           HB3      ALA 102  97.193  -0.460  -4.066
  778   3HB   ALA 102           HB2      ALA 102  96.927   0.963  -5.072
  779    H    TYR 103           HN       TYR 103  94.560  -1.810  -2.594
  780    HA   TYR 103           HA       TYR 103  94.743  -3.715  -4.889
  781   1HB   TYR 103          2HB       TYR 103  95.149  -4.125  -1.922
  782   2HB   TYR 103          3HB       TYR 103  95.060  -5.454  -3.077
  783    HD1  TYR 103           HD1      TYR 103  96.783  -5.668  -4.861
  784    HD2  TYR 103           HD2      TYR 103  97.089  -2.711  -1.763
  785    HE1  TYR 103           HE1      TYR 103  99.177  -5.349  -5.406
  786    HE2  TYR 103           HE2      TYR 103  99.490  -2.389  -2.307
  787    HH   TYR 103           HH       TYR 103 101.084  -2.798  -3.921
  788    HA   PRO 104           HA       PRO 104  90.295  -4.144  -4.193
  789   1HB   PRO 104          2HB       PRO 104  89.834  -5.862  -6.256
  790   2HB   PRO 104          3HB       PRO 104  90.071  -4.123  -6.496
  791   1HG   PRO 104          2HG       PRO 104  91.932  -6.370  -6.987
  792   2HG   PRO 104          3HG       PRO 104  91.748  -4.838  -7.855
  793   1HD   PRO 104          2HD       PRO 104  93.756  -5.374  -6.006
  794   2HD   PRO 104          3HD       PRO 104  93.237  -3.750  -6.503
  795    H    VAL 105           HN       VAL 105  89.052  -5.789  -3.121
  796    HA   VAL 105           HA       VAL 105  90.558  -8.022  -2.042
  797    HB   VAL 105           HB       VAL 105  88.683  -6.886  -0.829
  798   1HG1  VAL 105          HG13      VAL 105  87.297  -7.593  -3.259
  799   2HG1  VAL 105          HG12      VAL 105  86.489  -8.320  -1.878
  800   3HG1  VAL 105          HG11      VAL 105  86.747  -6.582  -1.930
  801   1HG2  VAL 105          HG23      VAL 105  88.969  -9.814  -1.250
  802   2HG2  VAL 105          HG22      VAL 105  89.056  -8.884   0.241
  803   3HG2  VAL 105          HG21      VAL 105  87.490  -9.310  -0.443
  804    H    TYR 106           HN       TYR 106  88.598  -7.544  -4.855
  805    HA   TYR 106           HA       TYR 106  88.842 -10.455  -5.461
  806   1HB   TYR 106          2HB       TYR 106  86.484  -8.638  -6.019
  807   2HB   TYR 106          3HB       TYR 106  86.680 -10.233  -6.734
  808    HD1  TYR 106           HD1      TYR 106  87.105 -12.210  -5.054
  809    HD2  TYR 106           HD2      TYR 106  85.394  -8.424  -3.952
  810    HE1  TYR 106           HE1      TYR 106  86.113 -13.241  -3.031
  811    HE2  TYR 106           HE2      TYR 106  84.404  -9.465  -1.931
  812    HH   TYR 106           HH       TYR 106  84.514 -12.930  -1.401
  813    H    ALA 107           HN       ALA 107  90.881  -9.237  -6.406
  814    HA   ALA 107           HA       ALA 107  90.668  -7.601  -8.717
  815   1HB   ALA 107           HB3      ALA 107  92.746  -8.642  -7.289
  816   2HB   ALA 107           HB2      ALA 107  92.835  -9.621  -8.753
  817   3HB   ALA 107           HB1      ALA 107  92.934  -7.861  -8.859
  818    H    GLN 108           HN       GLN 108  90.624 -11.130  -8.368
  819    HA   GLN 108           HA       GLN 108  89.129 -11.357 -10.880
  820   1HB   GLN 108          2HB       GLN 108  91.575 -11.338 -11.552
  821   2HB   GLN 108          3HB       GLN 108  91.778 -12.811 -10.610
  822   1HG   GLN 108          2HG       GLN 108  90.090 -13.948 -11.998
  823   2HG   GLN 108          3HG       GLN 108  89.850 -12.470 -12.928
  824   1HE2  GLN 108          HE22      GLN 108  93.498 -12.823 -13.982
  825   2HE2  GLN 108          HE21      GLN 108  92.731 -11.732 -12.930
  826    H    GLN 109           HN       GLN 109  88.057 -11.909  -8.540
  827    HA   GLN 109           HA       GLN 109  87.032 -13.593  -7.269
  828   1HB   GLN 109          2HB       GLN 109  87.922 -15.267  -9.633
  829   2HB   GLN 109          3HB       GLN 109  86.808 -15.810  -8.378
  830   1HG   GLN 109          2HG       GLN 109  85.291 -13.927  -8.940
  831   2HG   GLN 109          3HG       GLN 109  86.386 -13.453 -10.240
  832   1HE2  GLN 109          HE22      GLN 109  85.588 -16.346 -12.264
  833   2HE2  GLN 109          HE21      GLN 109  86.880 -15.317 -11.870
  834    H    ARG 110           HN       ARG 110  89.905 -13.007  -6.833
  835    HA   ARG 110           HA       ARG 110  91.309 -15.491  -6.408
  836   1HB   ARG 110          2HB       ARG 110  92.352 -13.186  -6.572
  837   2HB   ARG 110          3HB       ARG 110  91.752 -12.878  -4.943
  838   1HG   ARG 110          2HG       ARG 110  93.011 -14.781  -4.081
  839   2HG   ARG 110          3HG       ARG 110  93.568 -15.178  -5.704
  840   1HD   ARG 110          2HD       ARG 110  94.611 -12.902  -5.833
  841   2HD   ARG 110          3HD       ARG 110  94.197 -12.651  -4.142
  842    HE   ARG 110           HE       ARG 110  96.493 -14.025  -5.102
  843   1HH1  ARG 110          HH21      ARG 110  93.922 -14.506  -2.836
  844   2HH1  ARG 110          HH22      ARG 110  94.778 -15.715  -1.946
  845   1HH2  ARG 110          HH11      ARG 110  97.614 -15.548  -3.927
  846   2HH2  ARG 110          HH12      ARG 110  96.876 -16.290  -2.546
  847    H    ARG 111           HN       ARG 111  91.475 -16.733  -4.494
  848    HA   ARG 111           HA       ARG 111  89.184 -16.595  -2.710
  849   1HB   ARG 111          2HB       ARG 111  91.715 -18.261  -2.574
  850   2HB   ARG 111          3HB       ARG 111  90.316 -18.468  -1.517
  851   1HG   ARG 111          2HG       ARG 111  88.892 -18.855  -3.518
  852   2HG   ARG 111          3HG       ARG 111  90.332 -18.746  -4.533
  853   1HD   ARG 111          2HD       ARG 111  91.039 -20.564  -2.538
  854   2HD   ARG 111          3HD       ARG 111  89.367 -20.977  -2.917
  855    HE   ARG 111           HE       ARG 111  91.532 -21.735  -4.504
  856   1HH1  ARG 111          HH21      ARG 111  88.751 -19.734  -4.907
  857   2HH1  ARG 111          HH22      ARG 111  88.623 -20.029  -6.607
  858   1HH2  ARG 111          HH11      ARG 111  91.373 -22.142  -6.717
  859   2HH2  ARG 111          HH12      ARG 111  90.105 -21.397  -7.629
   
  No H/Q in entry =         859
  Start of MODEL   28
    1   1H    GLU   1           HT3      GLU   1  96.071   0.819 -18.959
    2   2H    GLU   1           HT2      GLU   1  96.785   0.364 -17.486
    3   3H    GLU   1           HT1      GLU   1  97.591   0.070 -18.950
    4    HA   GLU   1           HA       GLU   1  95.920  -1.517 -19.618
    5   1HB   GLU   1          2HB       GLU   1  96.983  -1.946 -16.808
    6   2HB   GLU   1          3HB       GLU   1  96.335  -3.219 -17.841
    7   1HG   GLU   1          2HG       GLU   1  98.735  -1.475 -18.455
    8   2HG   GLU   1          3HG       GLU   1  98.781  -3.177 -18.006
    9    H    ASP   2           HN       ASP   2  94.396  -3.131 -18.022
   10    HA   ASP   2           HA       ASP   2  92.063  -1.429 -17.514
   11   1HB   ASP   2          2HB       ASP   2  91.861  -3.667 -18.605
   12   2HB   ASP   2          3HB       ASP   2  92.406  -4.415 -17.101
   13    H    LEU   3           HN       LEU   3  91.658  -0.538 -15.556
   14    HA   LEU   3           HA       LEU   3  93.174  -1.499 -13.205
   15   1HB   LEU   3          2HB       LEU   3  91.416   0.927 -13.630
   16   2HB   LEU   3          3HB       LEU   3  92.262   0.566 -12.124
   17    HG   LEU   3           HG       LEU   3  93.596   0.942 -14.824
   18   1HD1  LEU   3          HD13      LEU   3  93.294   2.757 -12.419
   19   2HD1  LEU   3          HD12      LEU   3  94.459   3.042 -13.711
   20   3HD1  LEU   3          HD11      LEU   3  92.729   3.062 -14.063
   21   1HD2  LEU   3          HD23      LEU   3  94.581   0.310 -12.048
   22   2HD2  LEU   3          HD22      LEU   3  95.039  -0.436 -13.577
   23   3HD2  LEU   3          HD21      LEU   3  95.615   1.182 -13.177
   24    HA   PRO   4           HA       PRO   4  89.676  -3.956 -11.795
   25   1HB   PRO   4          2HB       PRO   4  90.787  -3.324  -9.109
   26   2HB   PRO   4          3HB       PRO   4  90.404  -4.900  -9.826
   27   1HG   PRO   4          2HG       PRO   4  92.920  -4.002  -9.533
   28   2HG   PRO   4          3HG       PRO   4  92.423  -5.068 -10.854
   29   1HD   PRO   4          2HD       PRO   4  93.123  -2.186 -10.939
   30   2HD   PRO   4          3HD       PRO   4  93.181  -3.410 -12.229
   31    H    HIS   5           HN       HIS   5  90.458  -0.737 -10.849
   32    HA   HIS   5           HA       HIS   5  88.322  -0.191  -9.046
   33   1HB   HIS   5          2HB       HIS   5  89.732   1.656 -10.994
   34   2HB   HIS   5          3HB       HIS   5  88.723   2.182  -9.646
   35    HD1  HIS   5           HD1      HIS   5  89.586   0.727  -7.280
   36    HD2  HIS   5           HD2      HIS   5  92.364   1.783 -10.207
   37    HE1  HIS   5           HE1      HIS   5  91.862   0.661  -6.169
   38    H    HIS   6           HN       HIS   6  88.349  -0.554 -12.532
   39    HA   HIS   6           HA       HIS   6  85.982   0.990 -13.068
   40   1HB   HIS   6          2HB       HIS   6  87.182  -1.364 -14.560
   41   2HB   HIS   6          3HB       HIS   6  85.841  -0.389 -15.163
   42    HD1  HIS   6           HD1      HIS   6  86.457   2.367 -15.034
   43    HD2  HIS   6           HD2      HIS   6  89.607  -0.338 -15.440
   44    HE1  HIS   6           HE1      HIS   6  88.454   3.703 -15.845
   45    H    ASP   7           HN       ASP   7  86.467  -2.394 -12.130
   46    HA   ASP   7           HA       ASP   7  83.543  -2.815 -12.153
   47   1HB   ASP   7          2HB       ASP   7  85.850  -4.721 -11.669
   48   2HB   ASP   7          3HB       ASP   7  84.148  -5.190 -11.624
   49    H    GLU   8           HN       GLU   8  82.383  -2.646 -10.307
   50    HA   GLU   8           HA       GLU   8  83.657  -1.926  -7.811
   51   1HB   GLU   8          2HB       GLU   8  80.808  -2.722  -8.457
   52   2HB   GLU   8          3HB       GLU   8  81.339  -2.132  -6.883
   53   1HG   GLU   8          2HG       GLU   8  80.658  -0.143  -7.827
   54   2HG   GLU   8          3HG       GLU   8  82.338  -0.165  -8.360
   55    H    LYS   9           HN       LYS   9  82.517  -4.895  -9.248
   56    HA   LYS   9           HA       LYS   9  82.281  -6.510  -6.931
   57   1HB   LYS   9          2HB       LYS   9  82.508  -8.397  -8.414
   58   2HB   LYS   9          3HB       LYS   9  81.636  -7.141  -9.291
   59   1HG   LYS   9          2HG       LYS   9  83.201  -7.278 -10.902
   60   2HG   LYS   9          3HG       LYS   9  84.338  -6.564  -9.758
   61   1HD   LYS   9          2HD       LYS   9  84.418  -9.140  -8.923
   62   2HD   LYS   9          3HD       LYS   9  84.052  -9.393 -10.631
   63   1HE   LYS   9          2HE       LYS   9  85.962  -7.720 -11.089
   64   2HE   LYS   9          3HE       LYS   9  86.421  -7.981  -9.408
   65   1HZ   LYS   9           HZ3      LYS   9  86.168 -10.482 -10.147
   66   2HZ   LYS   9           HZ2      LYS   9  86.521  -9.827 -11.675
   67   3HZ   LYS   9           HZ1      LYS   9  87.613  -9.624 -10.388
   68    H    THR  10           HN       THR  10  85.084  -5.213  -8.499
   69    HA   THR  10           HA       THR  10  87.029  -7.096  -7.526
   70    HB   THR  10           HB       THR  10  88.624  -5.118  -7.867
   71    HG1  THR  10           HG1      THR  10  86.808  -3.743  -9.304
   72   1HG2  THR  10          HG23      THR  10  86.772  -5.953 -10.105
   73   2HG2  THR  10          HG22      THR  10  88.303  -5.117 -10.339
   74   3HG2  THR  10          HG21      THR  10  88.283  -6.736  -9.644
   75    H    TRP  11           HN       TRP  11  85.490  -4.277  -6.042
   76    HA   TRP  11           HA       TRP  11  86.980  -4.947  -3.535
   77   1HB   TRP  11          2HB       TRP  11  86.389  -2.291  -3.242
   78   2HB   TRP  11          3HB       TRP  11  87.944  -2.908  -3.814
   79    HD1  TRP  11           HD1      TRP  11  88.141  -3.196  -6.559
   80    HE1  TRP  11           HE1      TRP  11  87.184  -1.696  -8.418
   81    HE3  TRP  11           HE3      TRP  11  84.557  -0.749  -3.909
   82    HZ2  TRP  11           HZ2      TRP  11  85.156   0.320  -8.722
   83    HZ3  TRP  11           HZ3      TRP  11  83.125   0.955  -4.991
   84    HH2  TRP  11           HH2      TRP  11  83.418   1.494  -7.392
   85    H    ASN  12           HN       ASN  12  83.995  -3.794  -5.010
   86    HA   ASN  12           HA       ASN  12  82.673  -3.477  -2.427
   87   1HB   ASN  12          2HB       ASN  12  80.868  -2.653  -3.622
   88   2HB   ASN  12          3HB       ASN  12  82.190  -2.301  -4.732
   89   1HD2  ASN  12          HD22      ASN  12  79.451  -4.075  -6.591
   90   2HD2  ASN  12          HD21      ASN  12  79.514  -2.659  -5.657
   91    H    VAL  13           HN       VAL  13  81.123  -4.811  -1.535
   92    HA   VAL  13           HA       VAL  13  80.899  -7.538  -2.742
   93    HB   VAL  13           HB       VAL  13  80.882  -8.425  -0.433
   94   1HG1  VAL  13          HG13      VAL  13  83.044  -7.743  -1.871
   95   2HG1  VAL  13          HG12      VAL  13  83.313  -6.696  -0.480
   96   3HG1  VAL  13          HG11      VAL  13  83.181  -8.440  -0.259
   97   1HG2  VAL  13          HG22      VAL  13  81.466  -5.537   0.306
   98   2HG2  VAL  13          HG21      VAL  13  79.968  -6.398   0.653
   99   3HG2  VAL  13          HG23      VAL  13  81.472  -6.901   1.428
  100    H    GLY  14           HN       GLY  14  79.304  -4.762  -1.860
  101   1HA   GLY  14          2HA       GLY  14  77.019  -4.251  -1.706
  102   2HA   GLY  14          3HA       GLY  14  76.691  -5.884  -2.277
  103    H    SER  15           HN       SER  15  75.316  -6.806  -0.828
  104    HA   SER  15           HA       SER  15  75.269  -6.093   1.961
  105   1HB   SER  15          2HB       SER  15  74.070  -8.402   0.415
  106   2HB   SER  15          3HB       SER  15  73.839  -8.204   2.154
  107    HG   SER  15           HG       SER  15  73.371  -5.862   1.065
  108    H    SER  16           HN       SER  16  76.320  -7.040   3.671
  109    HA   SER  16           HA       SER  16  77.677  -9.613   3.459
  110   1HB   SER  16          2HB       SER  16  79.956  -8.708   3.808
  111   2HB   SER  16          3HB       SER  16  79.300  -8.166   2.268
  112    HG   SER  16           HG       SER  16  79.070  -6.174   3.056
  113    H    ASN  17           HN       ASN  17  78.834 -10.079   5.562
  114    HA   ASN  17           HA       ASN  17  77.471  -8.614   7.782
  115   1HB   ASN  17          2HB       ASN  17  78.602 -11.415   7.582
  116   2HB   ASN  17          3HB       ASN  17  78.094 -10.693   9.111
  117   1HD2  ASN  17          HD22      ASN  17  75.307 -12.183   6.618
  118   2HD2  ASN  17          HD21      ASN  17  76.970 -12.392   6.352
  119    H    ARG  18           HN       ARG  18  78.769  -7.691   9.426
  120    HA   ARG  18           HA       ARG  18  81.451  -6.995   8.742
  121   1HB   ARG  18          2HB       ARG  18  80.055  -6.960  11.432
  122   2HB   ARG  18          3HB       ARG  18  81.653  -6.275  11.144
  123   1HG   ARG  18          2HG       ARG  18  80.489  -4.956   9.220
  124   2HG   ARG  18          3HG       ARG  18  78.996  -5.358  10.065
  125   1HD   ARG  18          2HD       ARG  18  81.342  -3.763  11.087
  126   2HD   ARG  18          3HD       ARG  18  79.669  -3.243  10.949
  127    HE   ARG  18           HE       ARG  18  80.836  -4.478  13.228
  128   1HH1  ARG  18          HH21      ARG  18  78.031  -4.766  11.234
  129   2HH1  ARG  18          HH22      ARG  18  77.154  -5.708  12.392
  130   1HH2  ARG  18          HH11      ARG  18  79.702  -5.670  14.746
  131   2HH2  ARG  18          HH12      ARG  18  78.099  -6.219  14.383
  132    H    ASN  19           HN       ASN  19  80.160  -9.615  10.753
  133    HA   ASN  19           HA       ASN  19  82.630 -10.457  11.873
  134   1HB   ASN  19          2HB       ASN  19  80.097 -11.953  11.183
  135   2HB   ASN  19          3HB       ASN  19  81.466 -12.740  11.966
  136   1HD2  ASN  19          HD22      ASN  19  78.959 -11.013  14.390
  137   2HD2  ASN  19          HD21      ASN  19  78.616 -11.803  12.927
  138    H    LYS  20           HN       LYS  20  81.027 -11.584   8.857
  139    HA   LYS  20           HA       LYS  20  83.227 -13.310   8.150
  140   1HB   LYS  20          2HB       LYS  20  82.054 -13.771   6.209
  141   2HB   LYS  20          3HB       LYS  20  80.746 -13.189   7.238
  142   1HG   LYS  20          2HG       LYS  20  81.037 -10.923   6.284
  143   2HG   LYS  20          3HG       LYS  20  82.278 -11.552   5.202
  144   1HD   LYS  20          2HD       LYS  20  80.187 -13.323   4.847
  145   2HD   LYS  20          3HD       LYS  20  79.368 -11.770   5.024
  146   1HE   LYS  20          2HE       LYS  20  80.967 -10.829   3.314
  147   2HE   LYS  20          3HE       LYS  20  81.548 -12.476   3.047
  148   1HZ   LYS  20           HZ1      LYS  20  78.900 -12.809   2.918
  149   2HZ   LYS  20           HZ3      LYS  20  79.051 -11.252   2.264
  150   3HZ   LYS  20           HZ2      LYS  20  79.894 -12.551   1.565
  151    H    ALA  21           HN       ALA  21  82.578  -9.897   7.758
  152    HA   ALA  21           HA       ALA  21  84.466  -9.344   5.677
  153   1HB   ALA  21           HB3      ALA  21  82.707  -7.786   6.962
  154   2HB   ALA  21           HB2      ALA  21  84.130  -7.401   7.929
  155   3HB   ALA  21           HB1      ALA  21  84.140  -7.105   6.190
  156    H    GLU  22           HN       GLU  22  84.750  -9.873   9.147
  157    HA   GLU  22           HA       GLU  22  87.459  -9.028   9.481
  158   1HB   GLU  22          2HB       GLU  22  85.823 -11.151  10.901
  159   2HB   GLU  22          3HB       GLU  22  87.457 -10.702  11.394
  160   1HG   GLU  22          2HG       GLU  22  86.753  -8.387  11.747
  161   2HG   GLU  22          3HG       GLU  22  85.128  -8.773  11.169
  162    H    ASN  23           HN       ASN  23  86.038 -12.197   8.676
  163    HA   ASN  23           HA       ASN  23  88.496 -13.608   8.368
  164   1HB   ASN  23          2HB       ASN  23  85.783 -13.963   7.063
  165   2HB   ASN  23          3HB       ASN  23  87.125 -15.070   6.780
  166   1HD2  ASN  23          HD22      ASN  23  85.043 -16.307   9.682
  167   2HD2  ASN  23          HD21      ASN  23  84.673 -15.898   8.076
  168    H    LEU  24           HN       LEU  24  86.543 -11.743   6.012
  169    HA   LEU  24           HA       LEU  24  88.392 -12.188   3.828
  170   1HB   LEU  24          2HB       LEU  24  86.254 -10.101   4.319
  171   2HB   LEU  24          3HB       LEU  24  87.222 -10.142   2.848
  172    HG   LEU  24           HG       LEU  24  85.679 -12.553   3.813
  173   1HD1  LEU  24          HD11      LEU  24  84.808 -10.257   2.047
  174   2HD1  LEU  24          HD13      LEU  24  83.997 -11.824   2.042
  175   3HD1  LEU  24          HD12      LEU  24  84.020 -10.846   3.512
  176   1HD2  LEU  24          HD21      LEU  24  87.575 -12.139   1.779
  177   2HD2  LEU  24          HD23      LEU  24  86.501 -13.529   1.940
  178   3HD2  LEU  24          HD22      LEU  24  86.021 -12.151   0.948
  179    H    LEU  25           HN       LEU  25  88.241 -10.026   6.543
  180    HA   LEU  25           HA       LEU  25  90.399  -8.306   5.439
  181   1HB   LEU  25          2HB       LEU  25  88.761  -8.153   7.988
  182   2HB   LEU  25          3HB       LEU  25  90.026  -7.007   7.565
  183    HG   LEU  25           HG       LEU  25  87.753  -7.583   5.667
  184   1HD1  LEU  25          HD11      LEU  25  87.077  -6.766   8.081
  185   2HD1  LEU  25          HD13      LEU  25  87.742  -5.225   7.535
  186   3HD1  LEU  25          HD12      LEU  25  86.395  -5.963   6.667
  187   1HD2  LEU  25          HD21      LEU  25  89.800  -5.394   6.072
  188   2HD2  LEU  25          HD23      LEU  25  89.554  -6.403   4.648
  189   3HD2  LEU  25          HD22      LEU  25  88.377  -5.160   5.062
  190    H    ARG  26           HN       ARG  26  90.018 -11.102   7.292
  191    HA   ARG  26           HA       ARG  26  92.590 -10.659   8.733
  192   1HB   ARG  26          2HB       ARG  26  90.225 -12.472   9.213
  193   2HB   ARG  26          3HB       ARG  26  91.792 -12.794   9.969
  194   1HG   ARG  26          2HG       ARG  26  91.729 -10.367  10.785
  195   2HG   ARG  26          3HG       ARG  26  90.029 -10.362  10.300
  196   1HD   ARG  26          2HD       ARG  26  91.280 -12.377  12.189
  197   2HD   ARG  26          3HD       ARG  26  90.313 -10.984  12.697
  198    HE   ARG  26           HE       ARG  26  88.656 -12.285  10.917
  199   1HH1  ARG  26          HH21      ARG  26  90.482 -13.174  13.702
  200   2HH1  ARG  26          HH22      ARG  26  89.396 -14.438  14.176
  201   1HH2  ARG  26          HH11      ARG  26  87.245 -13.953  11.500
  202   2HH2  ARG  26          HH12      ARG  26  87.563 -14.882  12.928
  203    H    GLY  27           HN       GLY  27  94.363 -11.806   8.148
  204   1HA   GLY  27          2HA       GLY  27  95.433 -13.892   7.453
  205   2HA   GLY  27          3HA       GLY  27  93.994 -14.276   6.507
  206    H    LYS  28           HN       LYS  28  94.427 -11.091   5.941
  207    HA   LYS  28           HA       LYS  28  96.269 -11.636   3.662
  208   1HB   LYS  28          2HB       LYS  28  94.897 -10.031   2.347
  209   2HB   LYS  28          3HB       LYS  28  93.995 -11.459   2.856
  210   1HG   LYS  28          2HG       LYS  28  93.047 -10.210   4.747
  211   2HG   LYS  28          3HG       LYS  28  93.970  -8.782   4.272
  212   1HD   LYS  28          2HD       LYS  28  91.598  -8.739   3.459
  213   2HD   LYS  28          3HD       LYS  28  92.782  -8.658   2.159
  214   1HE   LYS  28          2HE       LYS  28  92.410 -10.862   1.488
  215   2HE   LYS  28          3HE       LYS  28  91.732 -11.325   3.049
  216   1HZ   LYS  28           HZ1      LYS  28  89.911  -9.649   2.471
  217   2HZ   LYS  28           HZ3      LYS  28  90.481  -9.767   0.877
  218   3HZ   LYS  28           HZ2      LYS  28  89.897 -11.150   1.673
  219    H    ARG  29           HN       ARG  29  97.501  -9.868   2.925
  220    HA   ARG  29           HA       ARG  29  98.585  -8.202   5.025
  221   1HB   ARG  29          2HB       ARG  29  99.832  -9.218   3.029
  222   2HB   ARG  29          3HB       ARG  29  99.133  -7.920   2.067
  223   1HG   ARG  29          2HG       ARG  29 100.078  -6.333   3.876
  224   2HG   ARG  29          3HG       ARG  29 101.058  -7.707   4.379
  225   1HD   ARG  29          2HD       ARG  29 100.981  -6.644   1.542
  226   2HD   ARG  29          3HD       ARG  29 102.213  -6.207   2.728
  227    HE   ARG  29           HE       ARG  29 102.256  -8.976   2.727
  228   1HH1  ARG  29          HH21      ARG  29 102.453  -6.490   0.332
  229   2HH1  ARG  29          HH22      ARG  29 103.503  -7.400  -0.705
  230   1HH2  ARG  29          HH11      ARG  29 103.623 -10.155   1.388
  231   2HH2  ARG  29          HH12      ARG  29 104.169  -9.466  -0.103
  232    H    ASP  30           HN       ASP  30  98.776  -5.843   4.891
  233    HA   ASP  30           HA       ASP  30  96.302  -4.480   4.590
  234   1HB   ASP  30          2HB       ASP  30  97.593  -2.433   4.835
  235   2HB   ASP  30          3HB       ASP  30  98.203  -3.645   5.960
  236    H    GLY  31           HN       GLY  31  95.972  -2.602   3.095
  237   1HA   GLY  31          2HA       GLY  31  96.308  -1.546   0.937
  238   2HA   GLY  31          3HA       GLY  31  97.231  -2.960   0.422
  239    H    THR  32           HN       THR  32  95.284  -4.888   1.430
  240    HA   THR  32           HA       THR  32  93.438  -4.824  -0.854
  241    HB   THR  32           HB       THR  32  93.607  -6.797   1.442
  242    HG1  THR  32           HG1      THR  32  95.377  -7.372   0.507
  243   1HG2  THR  32          HG23      THR  32  92.235  -6.783  -1.246
  244   2HG2  THR  32          HG22      THR  32  92.594  -8.289  -0.402
  245   3HG2  THR  32          HG21      THR  32  91.530  -7.094   0.340
  246    H    PHE  33           HN       PHE  33  91.498  -3.770  -0.721
  247    HA   PHE  33           HA       PHE  33  90.149  -3.827   1.929
  248   1HB   PHE  33          2HB       PHE  33  89.957  -1.571   2.104
  249   2HB   PHE  33          3HB       PHE  33  91.419  -1.591   1.114
  250    HD1  PHE  33           HD1      PHE  33  91.151  -1.450  -1.422
  251    HD2  PHE  33           HD2      PHE  33  87.970  -0.646   1.324
  252    HE1  PHE  33           HE1      PHE  33  89.908  -0.243  -3.195
  253    HE2  PHE  33           HE2      PHE  33  86.741   0.555  -0.464
  254    HZ   PHE  33           HZ       PHE  33  87.705   0.739  -2.712
  255    H    LEU  34           HN       LEU  34  87.825  -3.235   1.782
  256    HA   LEU  34           HA       LEU  34  86.657  -3.900  -0.893
  257   1HB   LEU  34          2HB       LEU  34  85.166  -4.813   1.496
  258   2HB   LEU  34          3HB       LEU  34  85.398  -5.611  -0.057
  259    HG   LEU  34           HG       LEU  34  87.924  -5.755   0.889
  260   1HD1  LEU  34          HD13      LEU  34  86.076  -5.734   3.286
  261   2HD1  LEU  34          HD12      LEU  34  87.680  -6.468   3.314
  262   3HD1  LEU  34          HD11      LEU  34  87.508  -4.737   3.029
  263   1HD2  LEU  34          HD21      LEU  34  86.376  -7.575   0.098
  264   2HD2  LEU  34          HD23      LEU  34  87.432  -8.052   1.420
  265   3HD2  LEU  34          HD22      LEU  34  85.741  -7.667   1.729
  266    H    VAL  35           HN       VAL  35  84.310  -3.278  -1.004
  267    HA   VAL  35           HA       VAL  35  83.748  -0.884   0.692
  268    HB   VAL  35           HB       VAL  35  83.084  -1.395  -2.229
  269   1HG1  VAL  35          HG13      VAL  35  81.742   0.301  -0.210
  270   2HG1  VAL  35          HG12      VAL  35  82.196   1.139  -1.691
  271   3HG1  VAL  35          HG11      VAL  35  81.146  -0.275  -1.766
  272   1HG2  VAL  35          HG21      VAL  35  84.631   0.729  -0.744
  273   2HG2  VAL  35          HG23      VAL  35  85.285  -0.456  -1.870
  274   3HG2  VAL  35          HG22      VAL  35  84.227   0.830  -2.452
  275    H    ARG  36           HN       ARG  36  82.057  -1.205   2.018
  276    HA   ARG  36           HA       ARG  36  79.809  -2.926   1.114
  277   1HB   ARG  36          2HB       ARG  36  79.753  -4.126   3.250
  278   2HB   ARG  36          3HB       ARG  36  81.317  -4.377   2.477
  279   1HG   ARG  36          2HG       ARG  36  82.390  -2.801   3.931
  280   2HG   ARG  36          3HG       ARG  36  80.845  -2.212   4.545
  281   1HD   ARG  36          2HD       ARG  36  81.721  -5.086   4.873
  282   2HD   ARG  36          3HD       ARG  36  82.108  -3.845   6.058
  283    HE   ARG  36           HE       ARG  36  79.364  -3.601   5.738
  284   1HH1  ARG  36          HH21      ARG  36  81.570  -6.166   6.356
  285   2HH1  ARG  36          HH22      ARG  36  80.476  -7.056   7.364
  286   1HH2  ARG  36          HH11      ARG  36  77.916  -4.738   7.080
  287   2HH2  ARG  36          HH12      ARG  36  78.415  -6.237   7.787
  288    H    GLU  37           HN       GLU  37  78.133  -2.788   3.193
  289    HA   GLU  37           HA       GLU  37  77.874   0.140   3.620
  290   1HB   GLU  37          2HB       GLU  37  75.948  -0.980   2.579
  291   2HB   GLU  37          3HB       GLU  37  75.886  -2.139   3.902
  292   1HG   GLU  37          2HG       GLU  37  75.403  -0.320   5.488
  293   2HG   GLU  37          3HG       GLU  37  75.479   0.850   4.170
  294    H    SER  38           HN       SER  38  77.103   0.737   5.879
  295    HA   SER  38           HA       SER  38  78.737  -0.680   7.863
  296   1HB   SER  38          2HB       SER  38  78.421   1.742   8.130
  297   2HB   SER  38          3HB       SER  38  76.673   1.534   8.141
  298    HG   SER  38           HG       SER  38  76.774   0.954  10.160
  299    H    SER  39           HN       SER  39  76.392  -1.695   6.253
  300    HA   SER  39           HA       SER  39  74.831  -3.363   6.486
  301   1HB   SER  39          2HB       SER  39  76.350  -4.169   8.377
  302   2HB   SER  39          3HB       SER  39  75.336  -3.244   9.482
  303    HG   SER  39           HG       SER  39  73.644  -4.550   8.068
  304    H    LYS  40           HN       LYS  40  74.600  -1.394   9.466
  305    HA   LYS  40           HA       LYS  40  71.739  -0.870   8.835
  306   1HB   LYS  40          2HB       LYS  40  73.340  -0.459  11.379
  307   2HB   LYS  40          3HB       LYS  40  71.626  -0.083  11.201
  308   1HG   LYS  40          2HG       LYS  40  71.351  -2.536  10.439
  309   2HG   LYS  40          3HG       LYS  40  72.965  -2.791  11.108
  310   1HD   LYS  40          2HD       LYS  40  72.237  -2.036  13.302
  311   2HD   LYS  40          3HD       LYS  40  70.648  -1.603  12.667
  312   1HE   LYS  40          2HE       LYS  40  70.211  -3.962  12.112
  313   2HE   LYS  40          3HE       LYS  40  71.809  -4.408  12.716
  314   1HZ   LYS  40           HZ1      LYS  40  70.453  -2.872  14.651
  315   2HZ   LYS  40           HZ3      LYS  40  69.456  -4.158  14.171
  316   3HZ   LYS  40           HZ2      LYS  40  71.018  -4.470  14.766
  317    H    GLN  41           HN       GLN  41  70.986   1.408   9.378
  318    HA   GLN  41           HA       GLN  41  71.139   3.736   9.117
  319   1HB   GLN  41          2HB       GLN  41  74.143   3.376   9.286
  320   2HB   GLN  41          3HB       GLN  41  73.219   4.836   9.616
  321   1HG   GLN  41          2HG       GLN  41  72.380   2.491  11.198
  322   2HG   GLN  41          3HG       GLN  41  74.015   3.055  11.538
  323   1HE2  GLN  41          HE22      GLN  41  70.900   5.659  12.239
  324   2HE2  GLN  41          HE21      GLN  41  70.720   4.473  11.037
  325    H    GLY  42           HN       GLY  42  71.799   1.562   6.920
  326   1HA   GLY  42          2HA       GLY  42  72.496   1.560   4.658
  327   2HA   GLY  42          3HA       GLY  42  71.547   3.046   4.630
  328    H    CYS  43           HN       CYS  43  74.455   2.798   6.581
  329    HA   CYS  43           HA       CYS  43  75.629   5.009   5.026
  330   1HB   CYS  43          2HB       CYS  43  75.698   4.915   7.560
  331   2HB   CYS  43          3HB       CYS  43  76.835   3.577   7.406
  332    HG   CYS  43           HG       CYS  43  77.431   6.470   6.375
  333    H    TYR  44           HN       TYR  44  77.316   4.812   3.625
  334    HA   TYR  44           HA       TYR  44  78.136   2.118   2.822
  335   1HB   TYR  44          2HB       TYR  44  78.947   4.881   1.873
  336   2HB   TYR  44          3HB       TYR  44  79.552   3.390   1.155
  337    HD1  TYR  44           HD2      TYR  44  76.590   5.535   1.653
  338    HD2  TYR  44           HD1      TYR  44  78.089   1.947  -0.179
  339    HE1  TYR  44           HE2      TYR  44  74.537   5.379   0.271
  340    HE2  TYR  44           HE1      TYR  44  76.035   1.794  -1.560
  341    HH   TYR  44           HH       TYR  44  73.268   3.316  -0.904
  342    H    ALA  45           HN       ALA  45  80.372   1.350   2.957
  343    HA   ALA  45           HA       ALA  45  82.236   2.979   4.550
  344   1HB   ALA  45           HB3      ALA  45  81.085   0.367   5.568
  345   2HB   ALA  45           HB2      ALA  45  82.498   1.159   6.263
  346   3HB   ALA  45           HB1      ALA  45  80.924   1.955   6.318
  347    H    CYS  46           HN       CYS  46  84.371   2.393   4.170
  348    HA   CYS  46           HA       CYS  46  84.745   0.088   2.318
  349   1HB   CYS  46          2HB       CYS  46  86.564   2.465   2.808
  350   2HB   CYS  46          3HB       CYS  46  86.852   1.172   1.641
  351    HG   CYS  46           HG       CYS  46  84.674   1.956   0.365
  352    H    SER  47           HN       SER  47  85.541  -1.683   3.277
  353    HA   SER  47           HA       SER  47  86.908  -1.442   5.889
  354   1HB   SER  47          2HB       SER  47  85.958  -3.819   4.279
  355   2HB   SER  47          3HB       SER  47  86.745  -3.943   5.846
  356    HG   SER  47           HG       SER  47  84.438  -2.369   5.359
  357    H    VAL  48           HN       VAL  48  89.128  -1.518   6.033
  358    HA   VAL  48           HA       VAL  48  90.607  -2.813   3.792
  359    HB   VAL  48           HB       VAL  48  91.662  -0.899   3.204
  360   1HG1  VAL  48          HG11      VAL  48  89.709   0.329   5.176
  361   2HG1  VAL  48          HG13      VAL  48  90.570   1.217   3.919
  362   3HG1  VAL  48          HG12      VAL  48  89.386  -0.014   3.479
  363   1HG2  VAL  48          HG23      VAL  48  92.015  -0.446   6.186
  364   2HG2  VAL  48          HG22      VAL  48  93.231  -0.975   5.021
  365   3HG2  VAL  48          HG21      VAL  48  92.616   0.675   4.964
  366    H    VAL  49           HN       VAL  49  92.553  -3.843   4.398
  367    HA   VAL  49           HA       VAL  49  92.853  -4.324   7.311
  368    HB   VAL  49           HB       VAL  49  94.232  -5.600   4.931
  369   1HG1  VAL  49          HG11      VAL  49  94.387  -6.080   7.903
  370   2HG1  VAL  49          HG13      VAL  49  94.759  -7.363   6.755
  371   3HG1  VAL  49          HG12      VAL  49  95.711  -5.879   6.758
  372   1HG2  VAL  49          HG23      VAL  49  91.936  -6.463   6.695
  373   2HG2  VAL  49          HG22      VAL  49  91.897  -6.190   4.955
  374   3HG2  VAL  49          HG21      VAL  49  92.788  -7.561   5.616
  375    H    VAL  50           HN       VAL  50  94.775  -3.765   8.443
  376    HA   VAL  50           HA       VAL  50  96.707  -2.157   6.836
  377    HB   VAL  50           HB       VAL  50  95.052  -1.055   8.668
  378   1HG1  VAL  50          HG11      VAL  50  96.008  -2.453  10.479
  379   2HG1  VAL  50          HG13      VAL  50  97.574  -1.703  10.207
  380   3HG1  VAL  50          HG12      VAL  50  96.218  -0.736  10.776
  381   1HG2  VAL  50          HG23      VAL  50  97.771  -0.417   7.672
  382   2HG2  VAL  50          HG22      VAL  50  96.288   0.522   7.536
  383   3HG2  VAL  50          HG21      VAL  50  97.209   0.535   9.039
  384    H    ASP  51           HN       ASP  51  98.902  -2.122   7.728
  385    HA   ASP  51           HA       ASP  51  99.815  -4.747   8.381
  386   1HB   ASP  51          2HB       ASP  51 101.184  -3.048   7.185
  387   2HB   ASP  51          3HB       ASP  51 101.299  -2.117   8.683
  388    H    GLY  52           HN       GLY  52  98.043  -4.523  10.340
  389   1HA   GLY  52          2HA       GLY  52  99.443  -5.027  12.702
  390   2HA   GLY  52          3HA       GLY  52  99.081  -3.304  12.755
  391    H    GLU  53           HN       GLU  53  96.468  -3.606  11.368
  392    HA   GLU  53           HA       GLU  53  94.887  -5.416  13.054
  393   1HB   GLU  53          2HB       GLU  53  94.661  -2.415  13.425
  394   2HB   GLU  53          3HB       GLU  53  93.527  -3.594  14.080
  395   1HG   GLU  53          2HG       GLU  53  95.490  -4.685  15.257
  396   2HG   GLU  53          3HG       GLU  53  96.461  -3.295  14.768
  397    H    VAL  54           HN       VAL  54  92.512  -5.188  12.566
  398    HA   VAL  54           HA       VAL  54  92.143  -4.456   9.702
  399    HB   VAL  54           HB       VAL  54  90.664  -6.230  11.639
  400   1HG1  VAL  54          HG11      VAL  54  89.646  -5.076   9.025
  401   2HG1  VAL  54          HG13      VAL  54  88.959  -6.512   9.784
  402   3HG1  VAL  54          HG12      VAL  54  88.888  -4.959  10.614
  403   1HG2  VAL  54          HG22      VAL  54  91.845  -6.548   8.870
  404   2HG2  VAL  54          HG21      VAL  54  92.446  -7.260  10.365
  405   3HG2  VAL  54          HG23      VAL  54  90.912  -7.803   9.682
  406    H    LYS  55           HN       LYS  55  91.067  -2.575   9.208
  407    HA   LYS  55           HA       LYS  55  89.384  -1.401  11.393
  408   1HB   LYS  55          2HB       LYS  55  90.820   0.183   9.258
  409   2HB   LYS  55          3HB       LYS  55  90.087   0.782  10.747
  410   1HG   LYS  55          2HG       LYS  55  92.171   0.609  11.631
  411   2HG   LYS  55          3HG       LYS  55  91.830  -1.120  11.699
  412   1HD   LYS  55          2HD       LYS  55  93.781  -1.195  10.468
  413   2HD   LYS  55          3HD       LYS  55  92.626  -1.005   9.150
  414   1HE   LYS  55          2HE       LYS  55  93.092   1.606   9.966
  415   2HE   LYS  55          3HE       LYS  55  94.679   0.849  10.107
  416   1HZ   LYS  55           HZ2      LYS  55  93.014   0.467   7.701
  417   2HZ   LYS  55           HZ1      LYS  55  94.006   1.838   7.866
  418   3HZ   LYS  55           HZ3      LYS  55  94.692   0.287   7.868
  419    H    HIS  56           HN       HIS  56  87.411  -0.475  10.818
  420    HA   HIS  56           HA       HIS  56  86.490  -1.075   8.038
  421   1HB   HIS  56          2HB       HIS  56  84.882  -0.831  10.604
  422   2HB   HIS  56          3HB       HIS  56  84.212  -1.171   9.011
  423    HD1  HIS  56           HD1      HIS  56  85.309  -2.896  11.955
  424    HD2  HIS  56           HD2      HIS  56  85.594  -3.657   7.863
  425    HE1  HIS  56           HE1      HIS  56  85.792  -5.375  11.714
  426    H    CYS  57           HN       CYS  57  87.222   0.987   7.231
  427    HA   CYS  57           HA       CYS  57  86.506   3.490   8.452
  428   1HB   CYS  57          2HB       CYS  57  87.327   2.724   5.643
  429   2HB   CYS  57          3HB       CYS  57  86.984   4.392   6.099
  430    HG   CYS  57           HG       CYS  57  89.603   3.598   6.414
  431    H    VAL  58           HN       VAL  58  84.695   4.759   8.164
  432    HA   VAL  58           HA       VAL  58  82.457   3.482   6.670
  433    HB   VAL  58           HB       VAL  58  82.290   3.991   9.178
  434   1HG1  VAL  58          HG11      VAL  58  83.358   6.303   8.829
  435   2HG1  VAL  58          HG13      VAL  58  81.786   6.806   8.208
  436   3HG1  VAL  58          HG12      VAL  58  81.933   6.236   9.869
  437   1HG2  VAL  58          HG22      VAL  58  80.285   5.141   7.213
  438   2HG2  VAL  58          HG21      VAL  58  80.294   3.510   7.883
  439   3HG2  VAL  58          HG23      VAL  58  79.950   4.889   8.927
  440    H    ILE  59           HN       ILE  59  81.532   4.535   4.965
  441    HA   ILE  59           HA       ILE  59  82.392   7.344   4.467
  442    HB   ILE  59           HB       ILE  59  81.890   5.165   2.412
  443   1HG1  ILE  59          HG12      ILE  59  84.408   6.570   3.356
  444   2HG1  ILE  59          HG11      ILE  59  84.022   4.857   3.538
  445   1HG2  ILE  59          HG23      ILE  59  81.448   7.829   2.034
  446   2HG2  ILE  59          HG22      ILE  59  83.169   7.737   1.658
  447   3HG2  ILE  59          HG21      ILE  59  82.017   6.748   0.763
  448   1HD1  ILE  59          HD12      ILE  59  83.839   4.785   0.987
  449   2HD1  ILE  59          HD11      ILE  59  84.601   6.372   0.996
  450   3HD1  ILE  59          HD13      ILE  59  85.464   4.981   1.648
  451    H    ASN  60           HN       ASN  60  80.758   8.767   3.714
  452    HA   ASN  60           HA       ASN  60  77.991   7.610   3.869
  453   1HB   ASN  60          2HB       ASN  60  78.572   9.275   5.654
  454   2HB   ASN  60          3HB       ASN  60  78.868  10.471   4.388
  455   1HD2  ASN  60          HD22      ASN  60  74.994   9.135   4.780
  456   2HD2  ASN  60          HD21      ASN  60  76.270   8.046   5.013
  457    H    LYS  61           HN       LYS  61  77.014   7.541   1.861
  458    HA   LYS  61           HA       LYS  61  78.141   9.182  -0.306
  459   1HB   LYS  61          2HB       LYS  61  77.430   6.851  -0.754
  460   2HB   LYS  61          3HB       LYS  61  75.772   7.292  -0.342
  461   1HG   LYS  61          2HG       LYS  61  75.913   9.073  -2.149
  462   2HG   LYS  61          3HG       LYS  61  77.435   8.335  -2.649
  463   1HD   LYS  61          2HD       LYS  61  76.245   6.156  -2.926
  464   2HD   LYS  61          3HD       LYS  61  74.730   6.975  -2.541
  465   1HE   LYS  61          2HE       LYS  61  76.564   7.663  -4.855
  466   2HE   LYS  61          3HE       LYS  61  75.028   6.803  -4.981
  467   1HZ   LYS  61           HZ3      LYS  61  73.998   8.789  -3.896
  468   2HZ   LYS  61           HZ2      LYS  61  75.472   9.602  -4.109
  469   3HZ   LYS  61           HZ1      LYS  61  74.593   9.059  -5.458
  470    H    THR  62           HN       THR  62  77.505  11.244  -0.503
  471    HA   THR  62           HA       THR  62  74.620  11.888  -0.391
  472    HB   THR  62           HB       THR  62  76.677  13.413   1.222
  473    HG1  THR  62           HG1      THR  62  75.657  12.526   2.992
  474   1HG2  THR  62          HG21      THR  62  73.804  13.828   0.529
  475   2HG2  THR  62          HG23      THR  62  74.341  14.288   2.146
  476   3HG2  THR  62          HG22      THR  62  75.095  15.014   0.726
  477    H    ALA  63           HN       ALA  63  74.251  14.122  -1.267
  478    HA   ALA  63           HA       ALA  63  75.618  14.551  -3.709
  479   1HB   ALA  63           HB1      ALA  63  73.969  16.399  -1.964
  480   2HB   ALA  63           HB3      ALA  63  74.560  16.868  -3.559
  481   3HB   ALA  63           HB2      ALA  63  73.437  15.518  -3.396
  482    H    THR  64           HN       THR  64  75.959  16.314  -0.594
  483    HA   THR  64           HA       THR  64  78.603  17.274  -1.559
  484    HB   THR  64           HB       THR  64  78.214  19.107   0.089
  485    HG1  THR  64           HG1      THR  64  76.138  19.306   0.924
  486   1HG2  THR  64          HG22      THR  64  76.437  18.607  -2.259
  487   2HG2  THR  64          HG21      THR  64  76.179  20.051  -1.279
  488   3HG2  THR  64          HG23      THR  64  77.732  19.791  -2.073
  489    H    GLY  65           HN       GLY  65  77.739  14.756   0.166
  490   1HA   GLY  65          2HA       GLY  65  79.407  15.432   2.551
  491   2HA   GLY  65          3HA       GLY  65  78.243  14.116   2.503
  492    H    TYR  66           HN       TYR  66  78.815  12.245   1.071
  493    HA   TYR  66           HA       TYR  66  80.324  10.615   0.305
  494   1HB   TYR  66          2HB       TYR  66  82.300  12.918   0.142
  495   2HB   TYR  66          3HB       TYR  66  82.545  11.306  -0.514
  496    HD1  TYR  66           HD1      TYR  66  80.942  10.434  -2.272
  497    HD2  TYR  66           HD2      TYR  66  81.070  14.553  -1.068
  498    HE1  TYR  66           HE1      TYR  66  79.745  11.075  -4.347
  499    HE2  TYR  66           HE2      TYR  66  79.873  15.196  -3.141
  500    HH   TYR  66           HH       TYR  66  78.457  12.806  -5.245
  501    H    GLY  67           HN       GLY  67  83.046  10.281   0.915
  502   1HA   GLY  67          2HA       GLY  67  82.988   9.184   3.495
  503   2HA   GLY  67          3HA       GLY  67  84.469   9.593   2.639
  504    H    PHE  68           HN       PHE  68  85.719  11.087   3.622
  505    HA   PHE  68           HA       PHE  68  85.028  12.363   6.062
  506   1HB   PHE  68          2HB       PHE  68  87.106  13.224   4.030
  507   2HB   PHE  68          3HB       PHE  68  87.085  13.664   5.735
  508    HD1  PHE  68           HD1      PHE  68  86.537  11.267   7.208
  509    HD2  PHE  68           HD2      PHE  68  88.809  11.696   3.581
  510    HE1  PHE  68           HE1      PHE  68  87.799   9.199   7.745
  511    HE2  PHE  68           HE2      PHE  68  90.063   9.631   4.122
  512    HZ   PHE  68           HZ       PHE  68  89.563   8.380   6.203
  513    H    ALA  69           HN       ALA  69  85.106  13.652   2.739
  514    HA   ALA  69           HA       ALA  69  83.932  15.451   1.794
  515   1HB   ALA  69           HB2      ALA  69  82.174  14.419   3.580
  516   2HB   ALA  69           HB1      ALA  69  82.401  16.018   4.281
  517   3HB   ALA  69           HB3      ALA  69  81.830  15.856   2.622
  518    H    GLU  70           HN       GLU  70  86.141  15.652   4.163
  519    HA   GLU  70           HA       GLU  70  85.809  18.604   4.458
  520   1HB   GLU  70          2HB       GLU  70  87.386  16.641   6.148
  521   2HB   GLU  70          3HB       GLU  70  87.414  18.391   6.371
  522   1HG   GLU  70          2HG       GLU  70  85.029  18.429   6.831
  523   2HG   GLU  70          3HG       GLU  70  84.887  16.712   6.453
  524    HA   PRO  71           HA       PRO  71  90.215  18.023   2.768
  525   1HB   PRO  71          2HB       PRO  71  91.049  15.592   1.961
  526   2HB   PRO  71          3HB       PRO  71  91.026  16.047   3.677
  527   1HG   PRO  71          2HG       PRO  71  89.251  14.237   2.191
  528   2HG   PRO  71          3HG       PRO  71  89.671  14.250   3.902
  529   1HD   PRO  71          2HD       PRO  71  87.290  15.315   2.689
  530   2HD   PRO  71          3HD       PRO  71  87.756  15.385   4.403
  531    H    TYR  72           HN       TYR  72  87.867  18.484   1.208
  532    HA   TYR  72           HA       TYR  72  87.213  18.755  -1.021
  533   1HB   TYR  72          2HB       TYR  72  90.134  18.099  -1.483
  534   2HB   TYR  72          3HB       TYR  72  89.043  18.712  -2.723
  535    HD1  TYR  72           HD2      TYR  72  87.978  20.977  -2.437
  536    HD2  TYR  72           HD1      TYR  72  91.078  19.546   0.169
  537    HE1  TYR  72           HE2      TYR  72  88.365  23.290  -1.628
  538    HE2  TYR  72           HE1      TYR  72  91.466  21.856   0.977
  539    HH   TYR  72           HH       TYR  72  89.392  24.264   0.711
  540    H    ASN  73           HN       ASN  73  86.450  16.351   0.012
  541    HA   ASN  73           HA       ASN  73  87.271  14.290  -1.968
  542   1HB   ASN  73          2HB       ASN  73  85.700  14.122   0.614
  543   2HB   ASN  73          3HB       ASN  73  85.947  12.751  -0.471
  544   1HD2  ASN  73          HD22      ASN  73  89.668  13.891   0.367
  545   2HD2  ASN  73          HD21      ASN  73  88.678  14.635  -0.795
  546    H    LEU  74           HN       LEU  74  85.168  16.677  -2.144
  547    HA   LEU  74           HA       LEU  74  82.643  15.372  -2.629
  548   1HB   LEU  74          2HB       LEU  74  83.721  17.989  -3.728
  549   2HB   LEU  74          3HB       LEU  74  82.034  17.477  -3.784
  550    HG   LEU  74           HG       LEU  74  83.628  17.820  -1.228
  551   1HD1  LEU  74          HD12      LEU  74  82.096  19.705  -2.910
  552   2HD1  LEU  74          HD11      LEU  74  81.670  19.725  -1.199
  553   3HD1  LEU  74          HD13      LEU  74  83.335  20.032  -1.695
  554   1HD2  LEU  74          HD22      LEU  74  81.047  16.652  -1.892
  555   2HD2  LEU  74          HD21      LEU  74  81.912  16.643  -0.354
  556   3HD2  LEU  74          HD23      LEU  74  80.867  18.000  -0.769
  557    H    TYR  75           HN       TYR  75  83.965  13.580  -3.854
  558    HA   TYR  75           HA       TYR  75  84.728  14.181  -6.591
  559   1HB   TYR  75          2HB       TYR  75  84.315  11.586  -5.090
  560   2HB   TYR  75          3HB       TYR  75  84.786  11.650  -6.786
  561    HD1  TYR  75           HD1      TYR  75  86.774  13.278  -7.340
  562    HD2  TYR  75           HD2      TYR  75  86.023  11.588  -3.464
  563    HE1  TYR  75           HE1      TYR  75  89.140  13.676  -6.713
  564    HE2  TYR  75           HE2      TYR  75  88.393  11.989  -2.833
  565    HH   TYR  75           HH       TYR  75  90.319  13.988  -4.092
  566    H    SER  76           HN       SER  76  83.599  13.676  -8.483
  567    HA   SER  76           HA       SER  76  80.780  14.016  -8.435
  568   1HB   SER  76          2HB       SER  76  82.275  14.452 -10.407
  569   2HB   SER  76          3HB       SER  76  82.386  12.709 -10.639
  570    HG   SER  76           HG       SER  76  79.848  13.819 -10.347
  571    H    SER  77           HN       SER  77  82.742  11.052  -8.605
  572    HA   SER  77           HA       SER  77  80.222   9.545  -8.032
  573   1HB   SER  77          2HB       SER  77  80.768   7.875  -9.639
  574   2HB   SER  77          3HB       SER  77  81.015   9.408 -10.465
  575    HG   SER  77           HG       SER  77  83.092   8.098  -9.065
  576    H    LEU  78           HN       LEU  78  80.588   7.511  -6.929
  577    HA   LEU  78           HA       LEU  78  82.572   7.664  -4.868
  578   1HB   LEU  78          2HB       LEU  78  80.895   5.322  -5.818
  579   2HB   LEU  78          3HB       LEU  78  81.846   5.342  -4.326
  580    HG   LEU  78           HG       LEU  78  79.655   7.319  -5.003
  581   1HD1  LEU  78          HD12      LEU  78  79.467   4.641  -4.090
  582   2HD1  LEU  78          HD11      LEU  78  79.151   5.676  -2.695
  583   3HD1  LEU  78          HD13      LEU  78  78.181   5.846  -4.157
  584   1HD2  LEU  78          HD22      LEU  78  81.730   7.133  -2.926
  585   2HD2  LEU  78          HD21      LEU  78  80.772   8.524  -3.435
  586   3HD2  LEU  78          HD23      LEU  78  80.103   7.363  -2.286
  587    H    LYS  79           HN       LYS  79  82.563   6.212  -8.048
  588    HA   LYS  79           HA       LYS  79  84.679   4.355  -7.683
  589   1HB   LYS  79          2HB       LYS  79  83.890   6.024 -10.089
  590   2HB   LYS  79          3HB       LYS  79  85.076   4.717 -10.147
  591   1HG   LYS  79          2HG       LYS  79  83.371   3.129  -9.321
  592   2HG   LYS  79          3HG       LYS  79  82.181   4.436  -9.284
  593   1HD   LYS  79          2HD       LYS  79  82.477   4.770 -11.712
  594   2HD   LYS  79          3HD       LYS  79  83.648   3.454 -11.750
  595   1HE   LYS  79          2HE       LYS  79  81.475   2.604 -12.452
  596   2HE   LYS  79          3HE       LYS  79  81.883   1.916 -10.881
  597   1HZ   LYS  79           HZ2      LYS  79  80.588   4.297 -10.359
  598   2HZ   LYS  79           HZ1      LYS  79  79.684   3.550 -11.590
  599   3HZ   LYS  79           HZ3      LYS  79  79.978   2.726 -10.137
  600    H    GLU  80           HN       GLU  80  84.748   7.811  -8.551
  601    HA   GLU  80           HA       GLU  80  87.588   8.027  -8.789
  602   1HB   GLU  80          2HB       GLU  80  85.461  10.040  -8.046
  603   2HB   GLU  80          3HB       GLU  80  87.149  10.477  -8.295
  604   1HG   GLU  80          2HG       GLU  80  87.078   9.653 -10.571
  605   2HG   GLU  80          3HG       GLU  80  85.444   9.039 -10.334
  606    H    LEU  81           HN       LEU  81  85.398   8.286  -6.015
  607    HA   LEU  81           HA       LEU  81  87.262   9.261  -4.117
  608   1HB   LEU  81          2HB       LEU  81  84.802   8.997  -3.740
  609   2HB   LEU  81          3HB       LEU  81  85.042   7.253  -3.610
  610    HG   LEU  81           HG       LEU  81  86.614   9.188  -1.904
  611   1HD1  LEU  81          HD12      LEU  81  83.883   9.102  -1.775
  612   2HD1  LEU  81          HD11      LEU  81  84.317   7.815  -0.648
  613   3HD1  LEU  81          HD13      LEU  81  84.928   9.451  -0.399
  614   1HD2  LEU  81          HD23      LEU  81  86.404   6.301  -2.198
  615   2HD2  LEU  81          HD22      LEU  81  87.580   7.246  -1.290
  616   3HD2  LEU  81          HD21      LEU  81  86.050   6.797  -0.546
  617    H    VAL  82           HN       VAL  82  86.579   5.928  -5.180
  618    HA   VAL  82           HA       VAL  82  88.375   4.672  -3.346
  619    HB   VAL  82           HB       VAL  82  87.474   3.805  -6.105
  620   1HG1  VAL  82          HG12      VAL  82  89.200   2.547  -4.019
  621   2HG1  VAL  82          HG11      VAL  82  88.043   1.511  -4.857
  622   3HG1  VAL  82          HG13      VAL  82  89.266   2.389  -5.777
  623   1HG2  VAL  82          HG23      VAL  82  86.470   3.350  -3.290
  624   2HG2  VAL  82          HG22      VAL  82  85.574   3.971  -4.677
  625   3HG2  VAL  82          HG21      VAL  82  86.037   2.271  -4.616
  626    H    LEU  83           HN       LEU  83  88.870   5.858  -6.703
  627    HA   LEU  83           HA       LEU  83  91.615   5.068  -6.902
  628   1HB   LEU  83          2HB       LEU  83  90.022   7.256  -8.257
  629   2HB   LEU  83          3HB       LEU  83  91.726   6.972  -8.622
  630    HG   LEU  83           HG       LEU  83  90.964   4.483  -8.930
  631   1HD1  LEU  83          HD12      LEU  83  88.387   6.041  -9.167
  632   2HD1  LEU  83          HD11      LEU  83  88.613   4.454  -9.892
  633   3HD1  LEU  83          HD13      LEU  83  88.710   4.642  -8.142
  634   1HD2  LEU  83          HD23      LEU  83  90.257   6.675 -10.906
  635   2HD2  LEU  83          HD22      LEU  83  91.834   5.903 -10.733
  636   3HD2  LEU  83          HD21      LEU  83  90.457   4.971 -11.317
  637    H    HIS  84           HN       HIS  84  90.062   7.982  -5.634
  638    HA   HIS  84           HA       HIS  84  92.384   9.577  -5.280
  639   1HB   HIS  84          2HB       HIS  84  90.079  10.422  -5.010
  640   2HB   HIS  84          3HB       HIS  84  89.915   9.474  -3.536
  641    HD1  HIS  84           HD1      HIS  84  89.891  11.253  -1.769
  642    HD2  HIS  84           HD2      HIS  84  93.052  11.753  -4.439
  643    HE1  HIS  84           HE1      HIS  84  91.333  13.106  -0.828
  644    H    TYR  85           HN       TYR  85  90.901   7.255  -2.946
  645    HA   TYR  85           HA       TYR  85  92.899   7.762  -0.926
  646   1HB   TYR  85          2HB       TYR  85  90.999   5.456  -1.378
  647   2HB   TYR  85          3HB       TYR  85  92.160   5.464  -0.057
  648    HD1  TYR  85           HD2      TYR  85  90.003   8.149  -1.560
  649    HD2  TYR  85           HD1      TYR  85  91.093   5.928   1.952
  650    HE1  TYR  85           HE2      TYR  85  88.483   9.552  -0.199
  651    HE2  TYR  85           HE1      TYR  85  89.570   7.332   3.314
  652    HH   TYR  85           HH       TYR  85  87.859   8.823   3.196
  653    H    GLN  86           HN       GLN  86  92.794   5.684  -3.730
  654    HA   GLN  86           HA       GLN  86  94.866   3.869  -3.042
  655   1HB   GLN  86          2HB       GLN  86  93.415   3.649  -5.044
  656   2HB   GLN  86          3HB       GLN  86  94.212   5.048  -5.766
  657   1HG   GLN  86          2HG       GLN  86  96.053   2.945  -4.816
  658   2HG   GLN  86          3HG       GLN  86  94.999   2.460  -6.146
  659   1HE2  GLN  86          HE22      GLN  86  97.035   4.091  -8.474
  660   2HE2  GLN  86          HE21      GLN  86  96.054   2.761  -8.082
  661    H    HIS  87           HN       HIS  87  94.997   7.169  -4.363
  662    HA   HIS  87           HA       HIS  87  97.946   7.066  -4.505
  663   1HB   HIS  87          2HB       HIS  87  96.569   8.358  -6.171
  664   2HB   HIS  87          3HB       HIS  87  96.115   9.454  -4.865
  665    HD1  HIS  87           HD1      HIS  87  99.372   8.058  -6.329
  666    HD2  HIS  87           HD2      HIS  87  97.862  11.554  -4.627
  667    HE1  HIS  87           HE1      HIS  87 101.234   9.774  -6.440
  668    H    THR  88           HN       THR  88  95.413   8.461  -2.464
  669    HA   THR  88           HA       THR  88  97.415   9.755  -0.718
  670    HB   THR  88           HB       THR  88  95.204  10.250   0.588
  671    HG1  THR  88           HG1      THR  88  94.340   9.216  -1.878
  672   1HG2  THR  88          HG22      THR  88  95.790  11.385  -2.154
  673   2HG2  THR  88          HG21      THR  88  94.712  12.132  -0.977
  674   3HG2  THR  88          HG23      THR  88  96.431  11.971  -0.618
  675    H    SER  89           HN       SER  89  97.976   9.017   1.258
  676    HA   SER  89           HA       SER  89  97.204   6.251   1.938
  677   1HB   SER  89          2HB       SER  89  99.363   8.133   2.863
  678   2HB   SER  89          3HB       SER  89  99.073   6.577   3.643
  679    HG   SER  89           HG       SER  89  99.391   5.604   1.598
  680    H    LEU  90           HN       LEU  90  96.104   5.707   3.795
  681    HA   LEU  90           HA       LEU  90  94.347   7.621   4.942
  682   1HB   LEU  90          2HB       LEU  90  95.222   4.887   5.885
  683   2HB   LEU  90          3HB       LEU  90  93.954   5.825   6.677
  684    HG   LEU  90           HG       LEU  90  93.708   5.550   3.732
  685   1HD1  LEU  90          HD12      LEU  90  93.486   3.231   5.663
  686   2HD1  LEU  90          HD11      LEU  90  92.550   3.277   4.168
  687   3HD1  LEU  90          HD13      LEU  90  94.313   3.284   4.106
  688   1HD2  LEU  90          HD22      LEU  90  91.795   5.274   6.078
  689   2HD2  LEU  90          HD21      LEU  90  92.039   6.728   5.108
  690   3HD2  LEU  90          HD23      LEU  90  91.328   5.290   4.378
  691    H    VAL  91           HN       VAL  91  97.461   6.358   6.192
  692    HA   VAL  91           HA       VAL  91  98.369   6.869   8.426
  693    HB   VAL  91           HB       VAL  91  98.594   9.294   6.606
  694   1HG1  VAL  91          HG12      VAL  91  99.109   9.706   9.073
  695   2HG1  VAL  91          HG11      VAL  91 100.405   8.525   8.901
  696   3HG1  VAL  91          HG13      VAL  91 100.440  10.015   7.958
  697   1HG2  VAL  91          HG23      VAL  91 100.367   6.896   7.114
  698   2HG2  VAL  91          HG22      VAL  91  99.479   7.245   5.634
  699   3HG2  VAL  91          HG21      VAL  91 100.820   8.280   6.122
  700    H    GLN  92           HN       GLN  92  97.183  10.103   7.568
  701    HA   GLN  92           HA       GLN  92  95.618  11.485   8.652
  702   1HB   GLN  92          2HB       GLN  92  94.606   8.929   9.078
  703   2HB   GLN  92          3HB       GLN  92  94.736   9.602  10.703
  704   1HG   GLN  92          2HG       GLN  92  92.581  10.258   9.923
  705   2HG   GLN  92          3HG       GLN  92  93.593  11.692   9.773
  706   1HE2  GLN  92          HE22      GLN  92  91.894  11.462   6.518
  707   2HE2  GLN  92          HE21      GLN  92  91.500  11.869   8.120
  708    H    HIS  93           HN       HIS  93  95.053  12.015  11.175
  709    HA   HIS  93           HA       HIS  93  97.486  12.924  12.336
  710   1HB   HIS  93          2HB       HIS  93  94.704  12.564  13.468
  711   2HB   HIS  93          3HB       HIS  93  96.024  13.276  14.401
  712    HD1  HIS  93           HD1      HIS  93  97.195  15.432  13.257
  713    HD2  HIS  93           HD2      HIS  93  93.478  14.351  11.704
  714    HE1  HIS  93           HE1      HIS  93  96.381  17.409  11.905
  715    H    ASN  94           HN       ASN  94  95.539  10.016  12.973
  716    HA   ASN  94           HA       ASN  94  96.868   9.084  15.275
  717   1HB   ASN  94          2HB       ASN  94  94.879   8.003  14.115
  718   2HB   ASN  94          3HB       ASN  94  96.019   7.318  12.955
  719   1HD2  ASN  94          HD22      ASN  94  97.239   6.076  16.581
  720   2HD2  ASN  94          HD21      ASN  94  97.417   7.678  16.052
  721    H    ASP  95           HN       ASP  95  97.913   9.362  11.997
  722    HA   ASP  95           HA       ASP  95  99.978   9.036  10.975
  723   1HB   ASP  95          2HB       ASP  95 100.836   9.000  13.878
  724   2HB   ASP  95          3HB       ASP  95 101.970   8.948  12.530
  725    H    SER  96           HN       SER  96  98.267   6.622  11.963
  726    HA   SER  96           HA       SER  96 100.482   4.685  11.527
  727   1HB   SER  96          2HB       SER  96  98.169   4.281  13.437
  728   2HB   SER  96          3HB       SER  96  99.442   3.113  13.094
  729    HG   SER  96           HG       SER  96 100.028   4.239  14.921
  730    H    LEU  97           HN       LEU  97  97.894   5.908  10.095
  731    HA   LEU  97           HA       LEU  97  96.848   3.290   9.138
  732   1HB   LEU  97          2HB       LEU  97  95.906   6.122   8.552
  733   2HB   LEU  97          3HB       LEU  97  95.085   4.633   8.074
  734    HG   LEU  97           HG       LEU  97  95.672   5.432  10.940
  735   1HD1  LEU  97          HD13      LEU  97  93.879   6.717   9.464
  736   2HD1  LEU  97          HD12      LEU  97  92.912   5.277   9.783
  737   3HD1  LEU  97          HD11      LEU  97  93.510   6.253  11.127
  738   1HD2  LEU  97          HD21      LEU  97  94.742   2.989   9.611
  739   2HD2  LEU  97          HD23      LEU  97  95.324   3.213  11.260
  740   3HD2  LEU  97          HD22      LEU  97  93.637   3.541  10.870
  741    H    ASN  98           HN       ASN  98  99.407   3.555   8.377
  742    HA   ASN  98           HA       ASN  98  99.672   5.070   5.908
  743   1HB   ASN  98          2HB       ASN  98 101.594   4.565   7.428
  744   2HB   ASN  98          3HB       ASN  98 101.449   2.862   6.984
  745   1HD2  ASN  98          HD22      ASN  98 102.558   5.469   3.992
  746   2HD2  ASN  98          HD21      ASN  98 101.425   5.976   5.150
  747    H    VAL  99           HN       VAL  99  97.755   4.128   4.847
  748    HA   VAL  99           HA       VAL  99  98.556   1.851   3.172
  749    HB   VAL  99           HB       VAL  99  96.140   1.729   4.989
  750   1HG1  VAL  99          HG12      VAL  99  95.512   1.038   2.701
  751   2HG1  VAL  99          HG11      VAL  99  96.873  -0.085   2.671
  752   3HG1  VAL  99          HG13      VAL  99  95.541  -0.342   3.799
  753   1HG2  VAL  99          HG23      VAL  99  98.547  -0.060   4.569
  754   2HG2  VAL  99          HG22      VAL  99  98.193   0.906   6.000
  755   3HG2  VAL  99          HG21      VAL  99  97.166  -0.463   5.582
  756    H    THR 100           HN       THR 100  97.419   1.792   1.237
  757    HA   THR 100           HA       THR 100  95.526   4.063   0.769
  758    HB   THR 100           HB       THR 100  96.418   4.255  -1.484
  759    HG1  THR 100           HG1      THR 100  97.047   2.336  -2.143
  760   1HG2  THR 100          HG21      THR 100  98.055   4.579   0.883
  761   2HG2  THR 100          HG23      THR 100  99.053   4.257  -0.534
  762   3HG2  THR 100          HG22      THR 100  97.933   5.621  -0.538
  763    H    LEU 101           HN       LEU 101  93.807   3.581  -0.770
  764    HA   LEU 101           HA       LEU 101  93.039   0.741  -0.697
  765   1HB   LEU 101          2HB       LEU 101  91.643   3.093  -2.017
  766   2HB   LEU 101          3HB       LEU 101  90.950   1.504  -1.719
  767    HG   LEU 101           HG       LEU 101  91.948   3.379   0.436
  768   1HD1  LEU 101          HD11      LEU 101  89.593   3.530  -1.070
  769   2HD1  LEU 101          HD13      LEU 101  89.108   2.764   0.443
  770   3HD1  LEU 101          HD12      LEU 101  89.911   4.334   0.466
  771   1HD2  LEU 101          HD23      LEU 101  91.300   0.566   0.444
  772   2HD2  LEU 101          HD22      LEU 101  91.858   1.570   1.777
  773   3HD2  LEU 101          HD21      LEU 101  90.134   1.438   1.433
  774    H    ALA 102           HN       ALA 102  95.064   0.261  -1.990
  775    HA   ALA 102           HA       ALA 102  94.679   0.801  -4.885
  776   1HB   ALA 102           HB1      ALA 102  96.908   1.109  -3.313
  777   2HB   ALA 102           HB3      ALA 102  97.193  -0.460  -4.066
  778   3HB   ALA 102           HB2      ALA 102  96.927   0.963  -5.072
  779    H    TYR 103           HN       TYR 103  94.560  -1.810  -2.594
  780    HA   TYR 103           HA       TYR 103  94.743  -3.715  -4.889
  781   1HB   TYR 103          2HB       TYR 103  95.149  -4.125  -1.922
  782   2HB   TYR 103          3HB       TYR 103  95.060  -5.454  -3.077
  783    HD1  TYR 103           HD1      TYR 103  96.783  -5.668  -4.861
  784    HD2  TYR 103           HD2      TYR 103  97.089  -2.711  -1.763
  785    HE1  TYR 103           HE1      TYR 103  99.177  -5.349  -5.406
  786    HE2  TYR 103           HE2      TYR 103  99.490  -2.389  -2.307
  787    HH   TYR 103           HH       TYR 103 101.084  -2.798  -3.921
  788    HA   PRO 104           HA       PRO 104  90.295  -4.144  -4.193
  789   1HB   PRO 104          2HB       PRO 104  89.834  -5.862  -6.256
  790   2HB   PRO 104          3HB       PRO 104  90.071  -4.123  -6.496
  791   1HG   PRO 104          2HG       PRO 104  91.932  -6.370  -6.987
  792   2HG   PRO 104          3HG       PRO 104  91.748  -4.838  -7.855
  793   1HD   PRO 104          2HD       PRO 104  93.756  -5.374  -6.006
  794   2HD   PRO 104          3HD       PRO 104  93.237  -3.750  -6.503
  795    H    VAL 105           HN       VAL 105  89.052  -5.789  -3.121
  796    HA   VAL 105           HA       VAL 105  90.558  -8.022  -2.042
  797    HB   VAL 105           HB       VAL 105  88.683  -6.886  -0.829
  798   1HG1  VAL 105          HG13      VAL 105  87.297  -7.593  -3.259
  799   2HG1  VAL 105          HG12      VAL 105  86.489  -8.320  -1.878
  800   3HG1  VAL 105          HG11      VAL 105  86.747  -6.582  -1.930
  801   1HG2  VAL 105          HG23      VAL 105  88.969  -9.814  -1.250
  802   2HG2  VAL 105          HG22      VAL 105  89.056  -8.884   0.241
  803   3HG2  VAL 105          HG21      VAL 105  87.490  -9.310  -0.443
  804    H    TYR 106           HN       TYR 106  88.598  -7.544  -4.855
  805    HA   TYR 106           HA       TYR 106  88.842 -10.455  -5.461
  806   1HB   TYR 106          2HB       TYR 106  86.484  -8.638  -6.019
  807   2HB   TYR 106          3HB       TYR 106  86.680 -10.233  -6.734
  808    HD1  TYR 106           HD1      TYR 106  87.105 -12.210  -5.054
  809    HD2  TYR 106           HD2      TYR 106  85.394  -8.424  -3.952
  810    HE1  TYR 106           HE1      TYR 106  86.113 -13.241  -3.031
  811    HE2  TYR 106           HE2      TYR 106  84.404  -9.465  -1.931
  812    HH   TYR 106           HH       TYR 106  84.514 -12.930  -1.401
  813    H    ALA 107           HN       ALA 107  90.881  -9.237  -6.406
  814    HA   ALA 107           HA       ALA 107  90.668  -7.601  -8.717
  815   1HB   ALA 107           HB3      ALA 107  92.746  -8.642  -7.289
  816   2HB   ALA 107           HB2      ALA 107  92.835  -9.621  -8.753
  817   3HB   ALA 107           HB1      ALA 107  92.934  -7.861  -8.859
  818    H    GLN 108           HN       GLN 108  90.624 -11.130  -8.368
  819    HA   GLN 108           HA       GLN 108  89.129 -11.357 -10.880
  820   1HB   GLN 108          2HB       GLN 108  91.575 -11.338 -11.552
  821   2HB   GLN 108          3HB       GLN 108  91.778 -12.811 -10.610
  822   1HG   GLN 108          2HG       GLN 108  90.090 -13.948 -11.998
  823   2HG   GLN 108          3HG       GLN 108  89.850 -12.470 -12.928
  824   1HE2  GLN 108          HE22      GLN 108  93.498 -12.823 -13.982
  825   2HE2  GLN 108          HE21      GLN 108  92.731 -11.732 -12.930
  826    H    GLN 109           HN       GLN 109  88.057 -11.909  -8.540
  827    HA   GLN 109           HA       GLN 109  87.032 -13.593  -7.269
  828   1HB   GLN 109          2HB       GLN 109  87.922 -15.267  -9.633
  829   2HB   GLN 109          3HB       GLN 109  86.808 -15.810  -8.378
  830   1HG   GLN 109          2HG       GLN 109  85.291 -13.927  -8.940
  831   2HG   GLN 109          3HG       GLN 109  86.386 -13.453 -10.240
  832   1HE2  GLN 109          HE22      GLN 109  85.588 -16.346 -12.264
  833   2HE2  GLN 109          HE21      GLN 109  86.880 -15.317 -11.870
  834    H    ARG 110           HN       ARG 110  89.905 -13.007  -6.833
  835    HA   ARG 110           HA       ARG 110  91.309 -15.491  -6.408
  836   1HB   ARG 110          2HB       ARG 110  92.352 -13.186  -6.572
  837   2HB   ARG 110          3HB       ARG 110  91.752 -12.878  -4.943
  838   1HG   ARG 110          2HG       ARG 110  93.011 -14.781  -4.081
  839   2HG   ARG 110          3HG       ARG 110  93.568 -15.178  -5.704
  840   1HD   ARG 110          2HD       ARG 110  94.611 -12.902  -5.833
  841   2HD   ARG 110          3HD       ARG 110  94.197 -12.651  -4.142
  842    HE   ARG 110           HE       ARG 110  96.493 -14.025  -5.102
  843   1HH1  ARG 110          HH21      ARG 110  93.922 -14.506  -2.836
  844   2HH1  ARG 110          HH22      ARG 110  94.778 -15.715  -1.946
  845   1HH2  ARG 110          HH11      ARG 110  97.614 -15.548  -3.927
  846   2HH2  ARG 110          HH12      ARG 110  96.876 -16.290  -2.546
  847    H    ARG 111           HN       ARG 111  91.475 -16.733  -4.494
  848    HA   ARG 111           HA       ARG 111  89.184 -16.595  -2.710
  849   1HB   ARG 111          2HB       ARG 111  91.715 -18.261  -2.574
  850   2HB   ARG 111          3HB       ARG 111  90.316 -18.468  -1.517
  851   1HG   ARG 111          2HG       ARG 111  88.892 -18.855  -3.518
  852   2HG   ARG 111          3HG       ARG 111  90.332 -18.746  -4.533
  853   1HD   ARG 111          2HD       ARG 111  91.039 -20.564  -2.538
  854   2HD   ARG 111          3HD       ARG 111  89.367 -20.977  -2.917
  855    HE   ARG 111           HE       ARG 111  91.532 -21.735  -4.504
  856   1HH1  ARG 111          HH21      ARG 111  88.751 -19.734  -4.907
  857   2HH1  ARG 111          HH22      ARG 111  88.623 -20.029  -6.607
  858   1HH2  ARG 111          HH11      ARG 111  91.373 -22.142  -6.717
  859   2HH2  ARG 111          HH12      ARG 111  90.105 -21.397  -7.629
   
  No H/Q in entry =         859
  Start of MODEL   29
    1   1H    GLU   1           HT1      GLU   1  95.327  -3.249 -20.117
    2   2H    GLU   1           HT3      GLU   1  96.466  -3.104 -18.867
    3   3H    GLU   1           HT2      GLU   1  96.479  -4.470 -19.871
    4    HA   GLU   1           HA       GLU   1  94.357  -5.191 -19.010
    5   1HB   GLU   1          2HB       GLU   1  96.357  -4.426 -16.857
    6   2HB   GLU   1          3HB       GLU   1  95.077  -5.630 -16.674
    7   1HG   GLU   1          2HG       GLU   1  96.037  -6.995 -18.446
    8   2HG   GLU   1          3HG       GLU   1  97.250  -5.759 -18.782
    9    H    ASP   2           HN       ASP   2  92.382  -4.444 -18.345
   10    HA   ASP   2           HA       ASP   2  92.026  -1.682 -17.600
   11   1HB   ASP   2          2HB       ASP   2  90.198  -4.094 -17.541
   12   2HB   ASP   2          3HB       ASP   2  89.665  -2.501 -16.996
   13    H    LEU   3           HN       LEU   3  91.571  -0.802 -15.529
   14    HA   LEU   3           HA       LEU   3  92.759  -2.303 -13.312
   15   1HB   LEU   3          2HB       LEU   3  91.498   0.458 -13.415
   16   2HB   LEU   3          3HB       LEU   3  92.315  -0.221 -12.005
   17    HG   LEU   3           HG       LEU   3  93.595   0.174 -14.722
   18   1HD1  LEU   3          HD13      LEU   3  93.275   1.914 -12.364
   19   2HD1  LEU   3          HD12      LEU   3  94.939   1.763 -12.932
   20   3HD1  LEU   3          HD11      LEU   3  93.683   2.337 -14.028
   21   1HD2  LEU   3          HD21      LEU   3  94.356  -1.204 -12.226
   22   2HD2  LEU   3          HD23      LEU   3  94.964  -1.431 -13.868
   23   3HD2  LEU   3          HD22      LEU   3  95.590  -0.118 -12.867
   24    HA   PRO   4           HA       PRO   4  88.953  -4.025 -11.925
   25   1HB   PRO   4          2HB       PRO   4  89.560  -4.295  -9.243
   26   2HB   PRO   4          3HB       PRO   4  90.084  -5.417 -10.511
   27   1HG   PRO   4          2HG       PRO   4  91.594  -3.265  -9.144
   28   2HG   PRO   4          3HG       PRO   4  92.148  -4.836  -9.750
   29   1HD   PRO   4          2HD       PRO   4  92.621  -2.464 -11.047
   30   2HD   PRO   4          3HD       PRO   4  92.518  -4.033 -11.878
   31    H    HIS   5           HN       HIS   5  90.092  -1.007 -10.970
   32    HA   HIS   5           HA       HIS   5  88.171  -0.290  -8.969
   33   1HB   HIS   5          2HB       HIS   5  89.683   1.397 -10.977
   34   2HB   HIS   5          3HB       HIS   5  88.757   2.051  -9.633
   35    HD1  HIS   5           HD1      HIS   5  89.504   0.599  -7.231
   36    HD2  HIS   5           HD2      HIS   5  92.328   1.192 -10.240
   37    HE1  HIS   5           HE1      HIS   5  91.777   0.350  -6.141
   38    H    HIS   6           HN       HIS   6  88.004  -0.495 -12.465
   39    HA   HIS   6           HA       HIS   6  85.744   1.214 -12.849
   40   1HB   HIS   6          2HB       HIS   6  86.742  -1.173 -14.425
   41   2HB   HIS   6          3HB       HIS   6  85.399  -0.160 -14.952
   42    HD1  HIS   6           HD1      HIS   6  86.069   2.555 -14.963
   43    HD2  HIS   6           HD2      HIS   6  89.178  -0.202 -15.316
   44    HE1  HIS   6           HE1      HIS   6  88.064   3.833 -15.858
   45    H    ASP   7           HN       ASP   7  86.006  -2.119 -11.758
   46    HA   ASP   7           HA       ASP   7  83.046  -2.335 -11.796
   47   1HB   ASP   7          2HB       ASP   7  85.236  -4.396 -11.523
   48   2HB   ASP   7          3HB       ASP   7  83.527  -4.775 -11.316
   49    H    GLU   8           HN       GLU   8  81.932  -2.295  -9.922
   50    HA   GLU   8           HA       GLU   8  83.219  -1.661  -7.417
   51   1HB   GLU   8          2HB       GLU   8  80.390  -2.465  -8.130
   52   2HB   GLU   8          3HB       GLU   8  80.881  -1.951  -6.514
   53   1HG   GLU   8          2HG       GLU   8  81.435   0.237  -7.264
   54   2HG   GLU   8          3HG       GLU   8  81.395  -0.249  -8.959
   55    H    LYS   9           HN       LYS   9  82.286  -4.607  -8.980
   56    HA   LYS   9           HA       LYS   9  81.971  -6.322  -6.740
   57   1HB   LYS   9          2HB       LYS   9  82.198  -8.109  -8.271
   58   2HB   LYS   9          3HB       LYS   9  81.558  -6.787  -9.251
   59   1HG   LYS   9          2HG       LYS   9  84.070  -6.188  -9.634
   60   2HG   LYS   9          3HG       LYS   9  84.369  -7.848  -9.126
   61   1HD   LYS   9          2HD       LYS   9  82.980  -8.709 -10.914
   62   2HD   LYS   9          3HD       LYS   9  82.474  -7.074 -11.357
   63   1HE   LYS   9          2HE       LYS   9  84.881  -6.519 -11.800
   64   2HE   LYS   9          3HE       LYS   9  85.278  -8.217 -11.530
   65   1HZ   LYS   9           HZ2      LYS   9  83.463  -8.637 -13.281
   66   2HZ   LYS   9           HZ1      LYS   9  83.696  -7.006 -13.703
   67   3HZ   LYS   9           HZ3      LYS   9  84.989  -8.096 -13.806
   68    H    THR  10           HN       THR  10  84.928  -5.158  -8.322
   69    HA   THR  10           HA       THR  10  86.613  -7.125  -7.056
   70    HB   THR  10           HB       THR  10  88.488  -5.635  -7.741
   71    HG1  THR  10           HG1      THR  10  86.707  -4.016  -9.111
   72   1HG2  THR  10          HG23      THR  10  86.367  -6.659  -9.528
   73   2HG2  THR  10          HG22      THR  10  87.535  -5.559 -10.266
   74   3HG2  THR  10          HG21      THR  10  88.092  -7.038  -9.484
   75    H    TRP  11           HN       TRP  11  85.290  -4.096  -5.933
   76    HA   TRP  11           HA       TRP  11  86.878  -4.480  -3.432
   77   1HB   TRP  11          2HB       TRP  11  86.239  -1.834  -3.305
   78   2HB   TRP  11          3HB       TRP  11  87.762  -2.451  -3.948
   79    HD1  TRP  11           HD1      TRP  11  87.716  -3.011  -6.627
   80    HE1  TRP  11           HE1      TRP  11  86.642  -1.690  -8.562
   81    HE3  TRP  11           HE3      TRP  11  84.448  -0.179  -3.973
   82    HZ2  TRP  11           HZ2      TRP  11  84.642   0.387  -8.901
   83    HZ3  TRP  11           HZ3      TRP  11  82.986   1.470  -5.101
   84    HH2  TRP  11           HH2      TRP  11  83.083   1.753  -7.558
   85    H    ASN  12           HN       ASN  12  83.766  -3.707  -4.861
   86    HA   ASN  12           HA       ASN  12  82.522  -3.241  -2.237
   87   1HB   ASN  12          2HB       ASN  12  81.825  -2.080  -4.379
   88   2HB   ASN  12          3HB       ASN  12  81.151  -3.620  -4.901
   89   1HD2  ASN  12          HD22      ASN  12  78.600  -1.519  -2.999
   90   2HD2  ASN  12          HD21      ASN  12  79.683  -1.102  -4.238
   91    H    VAL  13           HN       VAL  13  81.779  -4.855  -0.985
   92    HA   VAL  13           HA       VAL  13  81.343  -7.540  -2.211
   93    HB   VAL  13           HB       VAL  13  82.881  -7.267  -0.212
   94   1HG1  VAL  13          HG11      VAL  13  80.965  -5.593   0.716
   95   2HG1  VAL  13          HG13      VAL  13  80.476  -7.080   1.530
   96   3HG1  VAL  13          HG12      VAL  13  82.096  -6.426   1.782
   97   1HG2  VAL  13          HG21      VAL  13  81.210  -9.298  -0.863
   98   2HG2  VAL  13          HG23      VAL  13  82.290  -9.365   0.531
   99   3HG2  VAL  13          HG22      VAL  13  80.604  -8.917   0.750
  100    H    GLY  14           HN       GLY  14  79.587  -4.841  -1.505
  101   1HA   GLY  14          2HA       GLY  14  77.274  -4.478  -1.328
  102   2HA   GLY  14          3HA       GLY  14  77.052  -6.188  -1.696
  103    H    SER  15           HN       SER  15  75.388  -6.329  -0.066
  104    HA   SER  15           HA       SER  15  75.891  -5.670   2.705
  105   1HB   SER  15          2HB       SER  15  73.869  -6.997   3.156
  106   2HB   SER  15          3HB       SER  15  73.599  -5.936   1.775
  107    HG   SER  15           HG       SER  15  74.268  -7.823   0.481
  108    H    SER  16           HN       SER  16  76.489  -7.120   4.396
  109    HA   SER  16           HA       SER  16  76.972  -9.921   4.004
  110   1HB   SER  16          2HB       SER  16  78.812  -9.084   2.567
  111   2HB   SER  16          3HB       SER  16  79.417  -8.123   3.905
  112    HG   SER  16           HG       SER  16  79.074 -10.643   4.723
  113    H    ASN  17           HN       ASN  17  77.879 -10.876   5.976
  114    HA   ASN  17           HA       ASN  17  77.248  -9.282   8.333
  115   1HB   ASN  17          2HB       ASN  17  76.760 -11.723   8.152
  116   2HB   ASN  17          3HB       ASN  17  78.491 -12.031   8.171
  117   1HD2  ASN  17          HD22      ASN  17  77.865 -12.312  11.695
  118   2HD2  ASN  17          HD21      ASN  17  77.973 -13.220  10.269
  119    H    ARG  18           HN       ARG  18  78.706  -8.409   9.804
  120    HA   ARG  18           HA       ARG  18  81.278  -7.648   8.874
  121   1HB   ARG  18          2HB       ARG  18  80.077  -7.686  11.643
  122   2HB   ARG  18          3HB       ARG  18  81.684  -7.040  11.310
  123   1HG   ARG  18          2HG       ARG  18  80.716  -5.480   9.663
  124   2HG   ARG  18          3HG       ARG  18  79.106  -6.094  10.024
  125   1HD   ARG  18          2HD       ARG  18  79.448  -5.467  12.410
  126   2HD   ARG  18          3HD       ARG  18  80.992  -4.740  11.980
  127    HE   ARG  18           HE       ARG  18  78.437  -3.495  11.765
  128   1HH1  ARG  18          HH21      ARG  18  81.283  -4.011   9.894
  129   2HH1  ARG  18          HH22      ARG  18  80.957  -2.708   8.812
  130   1HH2  ARG  18          HH11      ARG  18  77.992  -1.816  10.371
  131   2HH2  ARG  18          HH12      ARG  18  79.083  -1.469   9.066
  132    H    ASN  19           HN       ASN  19  80.302 -10.420  10.853
  133    HA   ASN  19           HA       ASN  19  82.911 -11.182  11.711
  134   1HB   ASN  19          2HB       ASN  19  81.960 -13.437  11.952
  135   2HB   ASN  19          3HB       ASN  19  80.831 -12.226  12.558
  136   1HD2  ASN  19          HD22      ASN  19  78.973 -14.547  10.270
  137   2HD2  ASN  19          HD21      ASN  19  79.847 -14.745  11.705
  138    H    LYS  20           HN       LYS  20  81.109 -11.860   8.727
  139    HA   LYS  20           HA       LYS  20  83.054 -13.619   7.588
  140   1HB   LYS  20          2HB       LYS  20  80.708 -13.309   6.722
  141   2HB   LYS  20          3HB       LYS  20  81.210 -11.736   6.097
  142   1HG   LYS  20          2HG       LYS  20  82.954 -12.822   4.742
  143   2HG   LYS  20          3HG       LYS  20  82.459 -14.397   5.361
  144   1HD   LYS  20          2HD       LYS  20  80.205 -14.060   4.415
  145   2HD   LYS  20          3HD       LYS  20  80.710 -12.493   3.774
  146   1HE   LYS  20          2HE       LYS  20  80.848 -14.202   2.019
  147   2HE   LYS  20          3HE       LYS  20  82.464 -13.633   2.436
  148   1HZ   LYS  20           HZ2      LYS  20  81.869 -15.709   4.170
  149   2HZ   LYS  20           HZ1      LYS  20  81.415 -16.240   2.622
  150   3HZ   LYS  20           HZ3      LYS  20  83.001 -15.714   2.903
  151    H    ALA  21           HN       ALA  21  82.602 -10.101   7.475
  152    HA   ALA  21           HA       ALA  21  84.688  -9.534   5.626
  153   1HB   ALA  21           HB2      ALA  21  83.592  -7.901   7.930
  154   2HB   ALA  21           HB1      ALA  21  84.735  -7.274   6.735
  155   3HB   ALA  21           HB3      ALA  21  83.124  -7.793   6.233
  156    H    GLU  22           HN       GLU  22  84.726 -10.104   9.120
  157    HA   GLU  22           HA       GLU  22  87.403  -9.294   9.631
  158   1HB   GLU  22          2HB       GLU  22  85.653 -11.410  10.915
  159   2HB   GLU  22          3HB       GLU  22  87.247 -10.976  11.537
  160   1HG   GLU  22          2HG       GLU  22  86.563  -8.674  11.858
  161   2HG   GLU  22          3HG       GLU  22  85.014  -8.981  11.067
  162    H    ASN  23           HN       ASN  23  86.124 -12.538   8.727
  163    HA   ASN  23           HA       ASN  23  88.659 -13.850   8.593
  164   1HB   ASN  23          2HB       ASN  23  87.544 -15.580   7.398
  165   2HB   ASN  23          3HB       ASN  23  86.302 -14.897   8.455
  166   1HD2  ASN  23          HD22      ASN  23  84.236 -14.185   5.706
  167   2HD2  ASN  23          HD21      ASN  23  84.368 -14.669   7.330
  168    H    LEU  24           HN       LEU  24  86.802 -11.966   6.241
  169    HA   LEU  24           HA       LEU  24  88.651 -12.325   4.050
  170   1HB   LEU  24          2HB       LEU  24  86.636 -10.139   4.660
  171   2HB   LEU  24          3HB       LEU  24  87.531 -10.252   3.150
  172    HG   LEU  24           HG       LEU  24  85.706 -12.399   4.261
  173   1HD1  LEU  24          HD13      LEU  24  84.709 -10.189   3.345
  174   2HD1  LEU  24          HD12      LEU  24  85.258 -10.764   1.770
  175   3HD1  LEU  24          HD11      LEU  24  84.086 -11.706   2.698
  176   1HD2  LEU  24          HD23      LEU  24  87.570 -12.221   1.920
  177   2HD2  LEU  24          HD22      LEU  24  87.195 -13.606   2.948
  178   3HD2  LEU  24          HD21      LEU  24  86.052 -13.095   1.708
  179    H    LEU  25           HN       LEU  25  88.489 -10.178   6.826
  180    HA   LEU  25           HA       LEU  25  90.764  -8.567   5.808
  181   1HB   LEU  25          2HB       LEU  25  89.106  -8.395   8.337
  182   2HB   LEU  25          3HB       LEU  25  90.407  -7.271   7.917
  183    HG   LEU  25           HG       LEU  25  88.192  -7.762   5.938
  184   1HD1  LEU  25          HD11      LEU  25  87.282  -7.199   8.311
  185   2HD1  LEU  25          HD13      LEU  25  88.010  -5.609   8.046
  186   3HD1  LEU  25          HD12      LEU  25  86.751  -6.191   6.959
  187   1HD2  LEU  25          HD22      LEU  25  90.051  -5.473   6.649
  188   2HD2  LEU  25          HD21      LEU  25  90.016  -6.406   5.152
  189   3HD2  LEU  25          HD23      LEU  25  88.696  -5.297   5.529
  190    H    ARG  26           HN       ARG  26  90.292 -11.420   7.545
  191    HA   ARG  26           HA       ARG  26  92.712 -11.060   9.212
  192   1HB   ARG  26          2HB       ARG  26  91.391 -12.228  10.627
  193   2HB   ARG  26          3HB       ARG  26  90.277 -12.668   9.333
  194   1HG   ARG  26          2HG       ARG  26  91.701 -14.498   8.656
  195   2HG   ARG  26          3HG       ARG  26  92.938 -14.015   9.814
  196   1HD   ARG  26          2HD       ARG  26  90.123 -14.729  10.651
  197   2HD   ARG  26          3HD       ARG  26  91.420 -15.916  10.577
  198    HE   ARG  26           HE       ARG  26  92.447 -13.796  12.095
  199   1HH1  ARG  26          HH21      ARG  26  89.687 -15.854  12.184
  200   2HH1  ARG  26          HH22      ARG  26  89.592 -15.879  13.915
  201   1HH2  ARG  26          HH11      ARG  26  92.334 -13.804  14.366
  202   2HH2  ARG  26          HH12      ARG  26  91.093 -14.722  15.148
  203    H    GLY  27           HN       GLY  27  94.635 -11.894   8.589
  204   1HA   GLY  27          2HA       GLY  27  96.173 -13.338   7.528
  205   2HA   GLY  27          3HA       GLY  27  94.813 -14.291   6.922
  206    H    LYS  28           HN       LYS  28  94.582 -10.922   6.405
  207    HA   LYS  28           HA       LYS  28  95.266 -11.347   3.533
  208   1HB   LYS  28          2HB       LYS  28  92.899 -10.748   4.032
  209   2HB   LYS  28          3HB       LYS  28  93.466  -9.250   4.762
  210   1HG   LYS  28          2HG       LYS  28  92.994  -8.550   2.588
  211   2HG   LYS  28          3HG       LYS  28  94.712  -8.936   2.462
  212   1HD   LYS  28          2HD       LYS  28  93.655  -9.983   0.578
  213   2HD   LYS  28          3HD       LYS  28  94.008 -11.274   1.733
  214   1HE   LYS  28          2HE       LYS  28  91.452 -10.233   2.419
  215   2HE   LYS  28          3HE       LYS  28  91.458 -10.475   0.667
  216   1HZ   LYS  28           HZ3      LYS  28  92.654 -12.703   1.465
  217   2HZ   LYS  28           HZ2      LYS  28  91.672 -12.426   2.820
  218   3HZ   LYS  28           HZ1      LYS  28  90.974 -12.579   1.280
  219    H    ARG  29           HN       ARG  29  96.843 -10.139   2.662
  220    HA   ARG  29           HA       ARG  29  98.710  -8.679   4.224
  221   1HB   ARG  29          2HB       ARG  29  99.707  -8.033   2.092
  222   2HB   ARG  29          3HB       ARG  29  99.191  -9.717   2.006
  223   1HG   ARG  29          2HG       ARG  29  97.060  -8.965   0.930
  224   2HG   ARG  29          3HG       ARG  29  97.689  -7.320   0.922
  225   1HD   ARG  29          2HD       ARG  29  99.534  -9.317  -0.225
  226   2HD   ARG  29          3HD       ARG  29  98.032  -9.107  -1.132
  227    HE   ARG  29           HE       ARG  29  98.900  -6.515  -0.607
  228   1HH1  ARG  29          HH21      ARG  29 100.158  -9.354  -2.128
  229   2HH1  ARG  29          HH22      ARG  29 101.219  -8.473  -3.173
  230   1HH2  ARG  29          HH11      ARG  29 100.256  -5.368  -1.986
  231   2HH2  ARG  29          HH12      ARG  29 101.264  -6.224  -3.103
  232    H    ASP  30           HN       ASP  30  99.235  -6.420   4.152
  233    HA   ASP  30           HA       ASP  30  97.026  -4.625   4.540
  234   1HB   ASP  30          2HB       ASP  30  99.968  -4.104   4.018
  235   2HB   ASP  30          3HB       ASP  30  98.817  -2.874   4.529
  236    H    GLY  31           HN       GLY  31  96.324  -2.857   3.132
  237   1HA   GLY  31          2HA       GLY  31  96.398  -1.631   1.030
  238   2HA   GLY  31          3HA       GLY  31  97.341  -2.937   0.326
  239    H    THR  32           HN       THR  32  95.354  -4.874   1.623
  240    HA   THR  32           HA       THR  32  93.505  -4.907  -0.658
  241    HB   THR  32           HB       THR  32  93.674  -6.710   1.759
  242    HG1  THR  32           HG1      THR  32  95.484  -7.181   0.772
  243   1HG2  THR  32          HG23      THR  32  91.927  -6.602  -0.606
  244   2HG2  THR  32          HG22      THR  32  92.651  -8.186  -0.310
  245   3HG2  THR  32          HG21      THR  32  91.678  -7.405   0.944
  246    H    PHE  33           HN       PHE  33  91.563  -3.817  -0.565
  247    HA   PHE  33           HA       PHE  33  90.237  -3.658   2.085
  248   1HB   PHE  33          2HB       PHE  33  90.137  -1.392   2.153
  249   2HB   PHE  33          3HB       PHE  33  91.548  -1.478   1.098
  250    HD1  PHE  33           HD1      PHE  33  90.985  -1.602  -1.519
  251    HD2  PHE  33           HD2      PHE  33  88.261  -0.255   1.516
  252    HE1  PHE  33           HE1      PHE  33  89.622  -0.412  -3.222
  253    HE2  PHE  33           HE2      PHE  33  86.933   0.924  -0.216
  254    HZ   PHE  33           HZ       PHE  33  87.611   0.831  -2.567
  255    H    LEU  34           HN       LEU  34  87.934  -3.075   1.901
  256    HA   LEU  34           HA       LEU  34  86.784  -3.644  -0.785
  257   1HB   LEU  34          2HB       LEU  34  85.194  -5.253   0.197
  258   2HB   LEU  34          3HB       LEU  34  86.851  -5.787   0.412
  259    HG   LEU  34           HG       LEU  34  86.003  -4.101   2.626
  260   1HD1  LEU  34          HD12      LEU  34  84.369  -6.556   1.938
  261   2HD1  LEU  34          HD11      LEU  34  84.464  -5.902   3.570
  262   3HD1  LEU  34          HD13      LEU  34  83.777  -4.930   2.266
  263   1HD2  LEU  34          HD22      LEU  34  87.962  -5.653   2.571
  264   2HD2  LEU  34          HD21      LEU  34  86.871  -6.000   3.914
  265   3HD2  LEU  34          HD23      LEU  34  86.849  -7.014   2.471
  266    H    VAL  35           HN       VAL  35  84.726  -2.715  -1.119
  267    HA   VAL  35           HA       VAL  35  84.036  -0.618   0.847
  268    HB   VAL  35           HB       VAL  35  83.130  -1.146  -2.004
  269   1HG1  VAL  35          HG13      VAL  35  81.239  -0.276  -0.668
  270   2HG1  VAL  35          HG12      VAL  35  82.254   1.048  -0.100
  271   3HG1  VAL  35          HG11      VAL  35  81.824   0.935  -1.811
  272   1HG2  VAL  35          HG22      VAL  35  84.779   1.009  -0.654
  273   2HG2  VAL  35          HG21      VAL  35  85.301  -0.103  -1.915
  274   3HG2  VAL  35          HG23      VAL  35  84.142   1.173  -2.284
  275    H    ARG  36           HN       ARG  36  82.250  -0.818   2.153
  276    HA   ARG  36           HA       ARG  36  80.207  -2.874   1.477
  277   1HB   ARG  36          2HB       ARG  36  81.800  -4.027   2.942
  278   2HB   ARG  36          3HB       ARG  36  81.717  -2.709   4.109
  279   1HG   ARG  36          2HG       ARG  36  79.566  -3.276   4.801
  280   2HG   ARG  36          3HG       ARG  36  79.196  -4.122   3.294
  281   1HD   ARG  36          2HD       ARG  36  80.098  -6.065   4.037
  282   2HD   ARG  36          3HD       ARG  36  81.466  -5.252   4.788
  283    HE   ARG  36           HE       ARG  36  79.320  -4.619   6.431
  284   1HH1  ARG  36          HH21      ARG  36  80.782  -7.506   5.199
  285   2HH1  ARG  36          HH22      ARG  36  80.313  -8.468   6.560
  286   1HH2  ARG  36          HH11      ARG  36  78.702  -5.871   8.187
  287   2HH2  ARG  36          HH12      ARG  36  79.114  -7.547   8.228
  288    H    GLU  37           HN       GLU  37  78.545  -2.655   3.652
  289    HA   GLU  37           HA       GLU  37  77.902   0.242   3.635
  290   1HB   GLU  37          2HB       GLU  37  75.870  -1.541   4.715
  291   2HB   GLU  37          3HB       GLU  37  75.742  -0.386   3.385
  292   1HG   GLU  37          2HG       GLU  37  76.996  -3.140   3.170
  293   2HG   GLU  37          3HG       GLU  37  75.365  -2.733   2.639
  294    H    SER  38           HN       SER  38  76.797   0.960   5.728
  295    HA   SER  38           HA       SER  38  78.508   0.167   7.972
  296   1HB   SER  38          2HB       SER  38  76.024   1.919   8.008
  297   2HB   SER  38          3HB       SER  38  77.266   1.821   9.254
  298    HG   SER  38           HG       SER  38  78.661   2.375   7.250
  299    H    SER  39           HN       SER  39  76.514  -1.476   6.412
  300    HA   SER  39           HA       SER  39  75.595  -3.558   7.125
  301   1HB   SER  39          2HB       SER  39  74.601  -2.145   9.617
  302   2HB   SER  39          3HB       SER  39  74.717  -3.875   9.327
  303    HG   SER  39           HG       SER  39  76.455  -3.200  10.595
  304    H    LYS  40           HN       LYS  40  74.196  -0.357   7.395
  305    HA   LYS  40           HA       LYS  40  71.469  -1.303   6.793
  306   1HB   LYS  40          2HB       LYS  40  72.583   1.518   6.920
  307   2HB   LYS  40          3HB       LYS  40  70.878   1.079   6.846
  308   1HG   LYS  40          2HG       LYS  40  72.729   0.134   9.046
  309   2HG   LYS  40          3HG       LYS  40  71.759   1.603   9.172
  310   1HD   LYS  40          2HD       LYS  40  69.731   0.138   8.618
  311   2HD   LYS  40          3HD       LYS  40  70.785  -1.249   8.906
  312   1HE   LYS  40          2HE       LYS  40  71.307  -0.340  11.168
  313   2HE   LYS  40          3HE       LYS  40  70.162   0.968  10.879
  314   1HZ   LYS  40           HZ1      LYS  40  68.717  -1.219  10.271
  315   2HZ   LYS  40           HZ3      LYS  40  69.671  -1.786  11.552
  316   3HZ   LYS  40           HZ2      LYS  40  68.688  -0.423  11.773
  317    H    GLN  41           HN       GLN  41  70.446  -0.947   4.786
  318    HA   GLN  41           HA       GLN  41  72.146  -1.114   2.483
  319   1HB   GLN  41          2HB       GLN  41  69.868  -2.105   2.597
  320   2HB   GLN  41          3HB       GLN  41  69.185  -0.472   2.579
  321   1HG   GLN  41          2HG       GLN  41  70.101  -0.033   0.398
  322   2HG   GLN  41          3HG       GLN  41  71.046  -1.515   0.433
  323   1HE2  GLN  41          HE22      GLN  41  67.834  -3.467   0.191
  324   2HE2  GLN  41          HE21      GLN  41  69.048  -3.352   1.373
  325    H    GLY  42           HN       GLY  42  70.549   1.589   4.061
  326   1HA   GLY  42          2HA       GLY  42  71.192   3.346   1.777
  327   2HA   GLY  42          3HA       GLY  42  70.312   3.826   3.232
  328    H    CYS  43           HN       CYS  43  73.133   2.054   3.948
  329    HA   CYS  43           HA       CYS  43  74.610   4.609   4.460
  330   1HB   CYS  43          2HB       CYS  43  74.625   2.050   6.095
  331   2HB   CYS  43          3HB       CYS  43  75.680   3.435   6.383
  332    HG   CYS  43           HG       CYS  43  73.561   4.865   6.954
  333    H    TYR  44           HN       TYR  44  76.972   4.445   4.293
  334    HA   TYR  44           HA       TYR  44  77.869   2.101   2.681
  335   1HB   TYR  44          2HB       TYR  44  78.404   5.026   2.145
  336   2HB   TYR  44          3HB       TYR  44  79.243   3.702   1.336
  337    HD1  TYR  44           HD2      TYR  44  75.771   4.909   2.095
  338    HD2  TYR  44           HD1      TYR  44  78.345   2.757  -0.585
  339    HE1  TYR  44           HE2      TYR  44  73.888   4.632   0.505
  340    HE2  TYR  44           HE1      TYR  44  76.464   2.481  -2.174
  341    HH   TYR  44           HH       TYR  44  74.033   4.106  -2.443
  342    H    ALA  45           HN       ALA  45  80.151   1.611   2.883
  343    HA   ALA  45           HA       ALA  45  81.935   3.123   4.532
  344   1HB   ALA  45           HB2      ALA  45  80.322   0.941   5.836
  345   2HB   ALA  45           HB1      ALA  45  81.949   1.319   6.406
  346   3HB   ALA  45           HB3      ALA  45  80.693   2.553   6.446
  347    H    CYS  46           HN       CYS  46  84.059   2.157   4.385
  348    HA   CYS  46           HA       CYS  46  84.097  -0.477   2.992
  349   1HB   CYS  46          2HB       CYS  46  85.991   0.310   1.632
  350   2HB   CYS  46          3HB       CYS  46  84.635   1.430   1.467
  351    HG   CYS  46           HG       CYS  46  87.270   2.038   2.948
  352    H    SER  47           HN       SER  47  85.962  -1.775   3.427
  353    HA   SER  47           HA       SER  47  87.293  -1.055   6.009
  354   1HB   SER  47          2HB       SER  47  85.674  -2.897   6.255
  355   2HB   SER  47          3HB       SER  47  86.506  -3.806   4.996
  356    HG   SER  47           HG       SER  47  88.155  -2.884   6.983
  357    H    VAL  48           HN       VAL  48  89.492  -1.293   6.139
  358    HA   VAL  48           HA       VAL  48  90.855  -2.529   3.802
  359    HB   VAL  48           HB       VAL  48  91.764  -0.560   3.204
  360   1HG1  VAL  48          HG11      VAL  48  90.098   0.424   5.501
  361   2HG1  VAL  48          HG13      VAL  48  91.195   1.525   4.674
  362   3HG1  VAL  48          HG12      VAL  48  89.912   0.724   3.776
  363   1HG2  VAL  48          HG23      VAL  48  92.752  -0.389   6.059
  364   2HG2  VAL  48          HG22      VAL  48  93.613  -1.081   4.681
  365   3HG2  VAL  48          HG21      VAL  48  93.291   0.650   4.742
  366    H    VAL  49           HN       VAL  49  92.778  -3.593   4.275
  367    HA   VAL  49           HA       VAL  49  93.108  -4.313   7.126
  368    HB   VAL  49           HB       VAL  49  94.527  -5.391   4.690
  369   1HG1  VAL  49          HG13      VAL  49  94.454  -6.066   7.593
  370   2HG1  VAL  49          HG12      VAL  49  94.587  -7.395   6.431
  371   3HG1  VAL  49          HG11      VAL  49  95.808  -6.116   6.459
  372   1HG2  VAL  49          HG22      VAL  49  92.017  -5.673   4.643
  373   2HG2  VAL  49          HG21      VAL  49  92.923  -7.181   4.661
  374   3HG2  VAL  49          HG23      VAL  49  92.159  -6.596   6.142
  375    H    VAL  50           HN       VAL  50  94.837  -3.599   8.345
  376    HA   VAL  50           HA       VAL  50  96.969  -2.171   6.838
  377    HB   VAL  50           HB       VAL  50  95.174  -1.137   8.794
  378   1HG1  VAL  50          HG13      VAL  50  96.777  -2.023  10.498
  379   2HG1  VAL  50          HG12      VAL  50  98.065  -1.088   9.736
  380   3HG1  VAL  50          HG11      VAL  50  96.703  -0.263  10.495
  381   1HG2  VAL  50          HG21      VAL  50  96.157  -0.026   6.783
  382   2HG2  VAL  50          HG23      VAL  50  96.302   0.952   8.243
  383   3HG2  VAL  50          HG22      VAL  50  97.700   0.069   7.628
  384    H    ASP  51           HN       ASP  51  99.018  -2.023   8.002
  385    HA   ASP  51           HA       ASP  51 100.020  -4.572   8.752
  386   1HB   ASP  51          2HB       ASP  51 102.089  -3.388   9.189
  387   2HB   ASP  51          3HB       ASP  51 101.319  -2.655   7.780
  388    H    GLY  52           HN       GLY  52  97.894  -4.295  10.468
  389   1HA   GLY  52          2HA       GLY  52  99.057  -4.802  12.999
  390   2HA   GLY  52          3HA       GLY  52  98.507  -3.126  12.989
  391    H    GLU  53           HN       GLU  53  96.165  -3.397  11.398
  392    HA   GLU  53           HA       GLU  53  94.556  -5.549  12.597
  393   1HB   GLU  53          2HB       GLU  53  94.321  -2.695  13.511
  394   2HB   GLU  53          3HB       GLU  53  92.915  -3.754  13.527
  395   1HG   GLU  53          2HG       GLU  53  95.527  -4.184  15.000
  396   2HG   GLU  53          3HG       GLU  53  93.961  -3.826  15.705
  397    H    VAL  54           HN       VAL  54  92.219  -5.374  11.928
  398    HA   VAL  54           HA       VAL  54  92.034  -4.700   9.117
  399    HB   VAL  54           HB       VAL  54  89.808  -5.559   9.285
  400   1HG1  VAL  54          HG13      VAL  54  91.847  -7.106   9.757
  401   2HG1  VAL  54          HG12      VAL  54  91.217  -7.145  11.402
  402   3HG1  VAL  54          HG11      VAL  54  90.229  -7.723  10.065
  403   1HG2  VAL  54          HG21      VAL  54  90.134  -5.095  12.249
  404   2HG2  VAL  54          HG23      VAL  54  88.986  -4.307  11.166
  405   3HG2  VAL  54          HG22      VAL  54  88.803  -6.017  11.553
  406    H    LYS  55           HN       LYS  55  90.810  -2.926   8.215
  407    HA   LYS  55           HA       LYS  55  90.167  -0.808  10.232
  408   1HB   LYS  55          2HB       LYS  55  90.932  -0.423   7.317
  409   2HB   LYS  55          3HB       LYS  55  90.632   0.851   8.489
  410   1HG   LYS  55          2HG       LYS  55  92.914  -1.123   8.450
  411   2HG   LYS  55          3HG       LYS  55  92.993   0.638   8.406
  412   1HD   LYS  55          2HD       LYS  55  91.775   0.552  10.671
  413   2HD   LYS  55          3HD       LYS  55  92.253  -1.142  10.702
  414   1HE   LYS  55          2HE       LYS  55  94.486   0.561   9.975
  415   2HE   LYS  55          3HE       LYS  55  93.801   1.018  11.534
  416   1HZ   LYS  55           HZ2      LYS  55  93.892  -1.340  12.174
  417   2HZ   LYS  55           HZ1      LYS  55  94.691  -1.692  10.718
  418   3HZ   LYS  55           HZ3      LYS  55  95.427  -0.684  11.870
  419    H    HIS  56           HN       HIS  56  88.252   0.363  10.034
  420    HA   HIS  56           HA       HIS  56  86.284  -0.686   8.040
  421   1HB   HIS  56          2HB       HIS  56  85.941  -0.113  10.985
  422   2HB   HIS  56          3HB       HIS  56  84.562  -0.185   9.889
  423    HD1  HIS  56           HD1      HIS  56  86.179  -2.495   8.157
  424    HD2  HIS  56           HD2      HIS  56  85.035  -2.610  12.165
  425    HE1  HIS  56           HE1      HIS  56  86.006  -4.942   8.784
  426    H    CYS  57           HN       CYS  57  87.385   1.367   6.992
  427    HA   CYS  57           HA       CYS  57  86.792   3.985   7.951
  428   1HB   CYS  57          2HB       CYS  57  87.038   3.023   5.080
  429   2HB   CYS  57          3HB       CYS  57  87.100   4.706   5.599
  430    HG   CYS  57           HG       CYS  57  89.301   4.115   6.943
  431    H    VAL  58           HN       VAL  58  85.008   5.342   7.599
  432    HA   VAL  58           HA       VAL  58  82.539   3.892   6.788
  433    HB   VAL  58           HB       VAL  58  83.146   6.100   8.702
  434   1HG1  VAL  58          HG13      VAL  58  80.657   5.845   7.035
  435   2HG1  VAL  58          HG12      VAL  58  80.500   6.330   8.715
  436   3HG1  VAL  58          HG11      VAL  58  81.468   7.300   7.606
  437   1HG2  VAL  58          HG23      VAL  58  82.765   3.560   9.148
  438   2HG2  VAL  58          HG22      VAL  58  81.937   4.723  10.188
  439   3HG2  VAL  58          HG21      VAL  58  81.064   3.925   8.877
  440    H    ILE  59           HN       ILE  59  81.244   4.606   5.189
  441    HA   ILE  59           HA       ILE  59  82.011   7.108   3.745
  442    HB   ILE  59           HB       ILE  59  80.669   4.616   2.655
  443   1HG1  ILE  59          HG12      ILE  59  83.053   4.240   3.100
  444   2HG1  ILE  59          HG11      ILE  59  82.766   4.333   1.363
  445   1HG2  ILE  59          HG22      ILE  59  80.414   7.192   1.745
  446   2HG2  ILE  59          HG21      ILE  59  81.786   6.606   0.799
  447   3HG2  ILE  59          HG23      ILE  59  80.241   5.753   0.741
  448   1HD1  ILE  59          HD13      ILE  59  83.286   6.892   1.729
  449   2HD1  ILE  59          HD12      ILE  59  84.098   6.312   3.186
  450   3HD1  ILE  59          HD11      ILE  59  84.609   5.730   1.596
  451    H    ASN  60           HN       ASN  60  80.323   8.637   3.624
  452    HA   ASN  60           HA       ASN  60  77.677   7.661   4.685
  453   1HB   ASN  60          2HB       ASN  60  78.942  10.400   4.924
  454   2HB   ASN  60          3HB       ASN  60  77.328   9.989   5.493
  455   1HD2  ASN  60          HD22      ASN  60  80.330   9.305   7.976
  456   2HD2  ASN  60          HD21      ASN  60  80.322  10.459   6.726
  457    H    LYS  61           HN       LYS  61  76.449   7.343   2.824
  458    HA   LYS  61           HA       LYS  61  76.697   8.958   0.481
  459   1HB   LYS  61          2HB       LYS  61  75.572   6.726   0.521
  460   2HB   LYS  61          3HB       LYS  61  74.246   7.442   1.435
  461   1HG   LYS  61          2HG       LYS  61  73.886   9.064  -0.420
  462   2HG   LYS  61          3HG       LYS  61  75.137   8.241  -1.349
  463   1HD   LYS  61          2HD       LYS  61  73.856   6.246  -1.513
  464   2HD   LYS  61          3HD       LYS  61  72.754   6.758  -0.231
  465   1HE   LYS  61          2HE       LYS  61  71.636   7.045  -2.373
  466   2HE   LYS  61          3HE       LYS  61  71.983   8.631  -1.691
  467   1HZ   LYS  61           HZ2      LYS  61  73.648   7.242  -3.727
  468   2HZ   LYS  61           HZ1      LYS  61  72.553   8.496  -4.048
  469   3HZ   LYS  61           HZ3      LYS  61  73.925   8.797  -3.098
  470    H    THR  62           HN       THR  62  76.764  11.104   1.491
  471    HA   THR  62           HA       THR  62  74.012  12.144   1.966
  472    HB   THR  62           HB       THR  62  74.864  13.606   3.723
  473    HG1  THR  62           HG1      THR  62  77.075  13.225   4.403
  474   1HG2  THR  62          HG23      THR  62  75.743  10.732   4.117
  475   2HG2  THR  62          HG22      THR  62  75.440  11.891   5.406
  476   3HG2  THR  62          HG21      THR  62  74.118  11.354   4.373
  477    H    ALA  63           HN       ALA  63  74.182  14.698   1.847
  478    HA   ALA  63           HA       ALA  63  74.864  15.410  -0.793
  479   1HB   ALA  63           HB3      ALA  63  74.159  16.854   1.685
  480   2HB   ALA  63           HB2      ALA  63  75.162  17.790   0.572
  481   3HB   ALA  63           HB1      ALA  63  73.612  17.132   0.029
  482    H    THR  64           HN       THR  64  76.742  15.721   2.203
  483    HA   THR  64           HA       THR  64  79.211  15.749   0.587
  484    HB   THR  64           HB       THR  64  78.463  18.140   0.957
  485    HG1  THR  64           HG1      THR  64  80.864  17.001   1.477
  486   1HG2  THR  64          HG22      THR  64  77.831  17.325   3.473
  487   2HG2  THR  64          HG21      THR  64  79.416  18.046   3.756
  488   3HG2  THR  64          HG23      THR  64  78.126  19.007   3.032
  489    H    GLY  65           HN       GLY  65  78.860  13.552   1.791
  490   1HA   GLY  65          2HA       GLY  65  80.645  13.627   4.120
  491   2HA   GLY  65          3HA       GLY  65  79.013  13.063   4.469
  492    H    TYR  66           HN       TYR  66  79.293  11.983   1.442
  493    HA   TYR  66           HA       TYR  66  79.672   9.270   2.147
  494   1HB   TYR  66          2HB       TYR  66  79.821   8.813  -0.229
  495   2HB   TYR  66          3HB       TYR  66  78.595  10.042   0.044
  496    HD1  TYR  66           HD2      TYR  66  82.071   9.453  -1.088
  497    HD2  TYR  66           HD1      TYR  66  78.870  12.297  -0.768
  498    HE1  TYR  66           HE2      TYR  66  83.308  11.010  -2.571
  499    HE2  TYR  66           HE1      TYR  66  80.107  13.856  -2.252
  500    HH   TYR  66           HH       TYR  66  81.849  13.874  -3.869
  501    H    GLY  67           HN       GLY  67  81.966  11.688   2.094
  502   1HA   GLY  67          2HA       GLY  67  84.128   9.682   2.318
  503   2HA   GLY  67          3HA       GLY  67  84.316  10.878   1.042
  504    H    PHE  68           HN       PHE  68  86.307  11.385   2.399
  505    HA   PHE  68           HA       PHE  68  86.018  12.614   4.988
  506   1HB   PHE  68          2HB       PHE  68  88.185  13.079   2.910
  507   2HB   PHE  68          3HB       PHE  68  88.280  13.500   4.616
  508    HD1  PHE  68           HD1      PHE  68  87.370  11.291   6.123
  509    HD2  PHE  68           HD2      PHE  68  89.471  11.248   2.380
  510    HE1  PHE  68           HE1      PHE  68  88.219   9.012   6.625
  511    HE2  PHE  68           HE2      PHE  68  90.323   8.977   2.880
  512    HZ   PHE  68           HZ       PHE  68  89.705   7.854   4.998
  513    H    ALA  69           HN       ALA  69  86.254  14.935   5.429
  514    HA   ALA  69           HA       ALA  69  84.828  16.566   3.399
  515   1HB   ALA  69           HB1      ALA  69  85.418  16.973   6.343
  516   2HB   ALA  69           HB3      ALA  69  84.676  18.214   5.333
  517   3HB   ALA  69           HB2      ALA  69  83.844  16.674   5.589
  518    H    GLU  70           HN       GLU  70  87.911  15.817   3.885
  519    HA   GLU  70           HA       GLU  70  89.418  18.149   4.285
  520   1HB   GLU  70          2HB       GLU  70  89.901  15.867   2.342
  521   2HB   GLU  70          3HB       GLU  70  91.118  17.055   2.791
  522   1HG   GLU  70          2HG       GLU  70  90.983  16.370   5.128
  523   2HG   GLU  70          3HG       GLU  70  89.669  15.249   4.749
  524    HA   PRO  71           HA       PRO  71  88.744  21.130   1.122
  525   1HB   PRO  71          2HB       PRO  71  91.589  20.642   0.316
  526   2HB   PRO  71          3HB       PRO  71  90.752  22.173   0.633
  527   1HG   PRO  71          2HG       PRO  71  92.420  21.027   2.417
  528   2HG   PRO  71          3HG       PRO  71  91.036  22.024   2.885
  529   1HD   PRO  71          2HD       PRO  71  91.415  19.128   3.200
  530   2HD   PRO  71          3HD       PRO  71  90.235  20.194   3.987
  531    H    TYR  72           HN       TYR  72  89.676  17.912   0.467
  532    HA   TYR  72           HA       TYR  72  89.982  17.828  -2.334
  533   1HB   TYR  72          2HB       TYR  72  88.453  15.872  -0.572
  534   2HB   TYR  72          3HB       TYR  72  89.015  15.544  -2.211
  535    HD1  TYR  72           HD1      TYR  72  91.542  17.570  -0.893
  536    HD2  TYR  72           HD2      TYR  72  89.921  13.607  -0.484
  537    HE1  TYR  72           HE1      TYR  72  93.719  16.761  -0.015
  538    HE2  TYR  72           HE2      TYR  72  92.092  12.807   0.394
  539    HH   TYR  72           HH       TYR  72  94.425  14.728   1.574
  540    H    ASN  73           HN       ASN  73  87.264  18.680  -0.405
  541    HA   ASN  73           HA       ASN  73  85.151  19.481  -0.954
  542   1HB   ASN  73          2HB       ASN  73  86.350  19.617  -3.732
  543   2HB   ASN  73          3HB       ASN  73  84.797  20.310  -3.275
  544   1HD2  ASN  73          HD22      ASN  73  87.635  22.838  -2.884
  545   2HD2  ASN  73          HD21      ASN  73  87.257  21.776  -4.159
  546    H    LEU  74           HN       LEU  74  85.408  16.648  -0.799
  547    HA   LEU  74           HA       LEU  74  84.239  14.710  -1.411
  548   1HB   LEU  74          2HB       LEU  74  82.302  16.881  -2.239
  549   2HB   LEU  74          3HB       LEU  74  81.888  15.170  -2.198
  550    HG   LEU  74           HG       LEU  74  81.200  16.261  -0.111
  551   1HD1  LEU  74          HD13      LEU  74  82.398  13.895  -0.270
  552   2HD1  LEU  74          HD12      LEU  74  83.629  14.712   0.697
  553   3HD1  LEU  74          HD11      LEU  74  81.975  14.592   1.295
  554   1HD2  LEU  74          HD22      LEU  74  83.191  17.950  -0.398
  555   2HD2  LEU  74          HD21      LEU  74  82.636  17.525   1.220
  556   3HD2  LEU  74          HD23      LEU  74  84.082  16.763   0.553
  557    H    TYR  75           HN       TYR  75  84.969  13.494  -3.047
  558    HA   TYR  75           HA       TYR  75  85.662  14.453  -5.631
  559   1HB   TYR  75          2HB       TYR  75  85.015  11.642  -4.698
  560   2HB   TYR  75          3HB       TYR  75  85.754  12.032  -6.258
  561    HD1  TYR  75           HD1      TYR  75  88.011  12.990  -6.384
  562    HD2  TYR  75           HD2      TYR  75  86.243  11.907  -2.626
  563    HE1  TYR  75           HE1      TYR  75  90.215  13.184  -5.288
  564    HE2  TYR  75           HE2      TYR  75  88.458  12.085  -1.530
  565    HH   TYR  75           HH       TYR  75  90.629  13.384  -2.013
  566    H    SER  76           HN       SER  76  84.629  14.295  -7.634
  567    HA   SER  76           HA       SER  76  81.814  14.767  -7.669
  568   1HB   SER  76          2HB       SER  76  83.775  14.114  -9.870
  569   2HB   SER  76          3HB       SER  76  82.107  14.572 -10.169
  570    HG   SER  76           HG       SER  76  82.920  16.525 -10.078
  571    H    SER  77           HN       SER  77  83.682  11.807  -8.458
  572    HA   SER  77           HA       SER  77  81.052  10.371  -8.581
  573   1HB   SER  77          2HB       SER  77  83.588   9.808 -10.137
  574   2HB   SER  77          3HB       SER  77  82.162   8.774 -10.141
  575    HG   SER  77           HG       SER  77  81.257  11.156 -10.611
  576    H    LEU  78           HN       LEU  78  80.954   8.350  -7.566
  577    HA   LEU  78           HA       LEU  78  82.547   7.970  -5.244
  578   1HB   LEU  78          2HB       LEU  78  80.781   6.081  -6.817
  579   2HB   LEU  78          3HB       LEU  78  81.539   5.630  -5.290
  580    HG   LEU  78           HG       LEU  78  79.740   8.044  -5.677
  581   1HD1  LEU  78          HD12      LEU  78  79.192   5.222  -4.800
  582   2HD1  LEU  78          HD11      LEU  78  78.300   6.540  -4.044
  583   3HD1  LEU  78          HD13      LEU  78  78.206   6.298  -5.788
  584   1HD2  LEU  78          HD22      LEU  78  81.369   6.931  -3.438
  585   2HD2  LEU  78          HD21      LEU  78  80.976   8.609  -3.823
  586   3HD2  LEU  78          HD23      LEU  78  79.778   7.587  -3.030
  587    H    LYS  79           HN       LYS  79  82.760   6.564  -8.491
  588    HA   LYS  79           HA       LYS  79  84.797   4.658  -8.028
  589   1HB   LYS  79          2HB       LYS  79  84.175   6.405 -10.418
  590   2HB   LYS  79          3HB       LYS  79  85.434   5.168 -10.452
  591   1HG   LYS  79          2HG       LYS  79  83.793   3.440  -9.892
  592   2HG   LYS  79          3HG       LYS  79  82.522   4.657  -9.763
  593   1HD   LYS  79          2HD       LYS  79  83.043   5.284 -12.170
  594   2HD   LYS  79          3HD       LYS  79  84.046   3.839 -12.245
  595   1HE   LYS  79          2HE       LYS  79  81.875   3.235 -13.097
  596   2HE   LYS  79          3HE       LYS  79  82.017   2.515 -11.490
  597   1HZ   LYS  79           HZ3      LYS  79  80.991   5.149 -11.318
  598   2HZ   LYS  79           HZ2      LYS  79  80.044   4.229 -12.390
  599   3HZ   LYS  79           HZ1      LYS  79  80.293   3.698 -10.793
  600    H    GLU  80           HN       GLU  80  85.045   8.166  -8.662
  601    HA   GLU  80           HA       GLU  80  87.892   8.280  -8.845
  602   1HB   GLU  80          2HB       GLU  80  86.390  10.140  -9.500
  603   2HB   GLU  80          3HB       GLU  80  85.993  10.405  -7.805
  604   1HG   GLU  80          2HG       GLU  80  88.329  10.917  -7.300
  605   2HG   GLU  80          3HG       GLU  80  88.791  10.561  -8.967
  606    H    LEU  81           HN       LEU  81  85.734   8.515  -6.025
  607    HA   LEU  81           HA       LEU  81  87.679   9.219  -4.086
  608   1HB   LEU  81          2HB       LEU  81  85.187   9.153  -3.764
  609   2HB   LEU  81          3HB       LEU  81  85.303   7.394  -3.673
  610    HG   LEU  81           HG       LEU  81  87.121   8.992  -1.924
  611   1HD1  LEU  81          HD11      LEU  81  84.136   8.715  -1.551
  612   2HD1  LEU  81          HD13      LEU  81  85.231   8.987  -0.198
  613   3HD1  LEU  81          HD12      LEU  81  85.104  10.183  -1.489
  614   1HD2  LEU  81          HD22      LEU  81  85.646   6.354  -1.819
  615   2HD2  LEU  81          HD21      LEU  81  87.386   6.648  -1.739
  616   3HD2  LEU  81          HD23      LEU  81  86.356   7.059  -0.367
  617    H    VAL  82           HN       VAL  82  86.684   5.971  -5.228
  618    HA   VAL  82           HA       VAL  82  88.375   4.543  -3.410
  619    HB   VAL  82           HB       VAL  82  87.411   3.754  -6.173
  620   1HG1  VAL  82          HG12      VAL  82  88.790   2.245  -3.964
  621   2HG1  VAL  82          HG11      VAL  82  87.679   1.414  -5.054
  622   3HG1  VAL  82          HG13      VAL  82  89.110   2.212  -5.696
  623   1HG2  VAL  82          HG22      VAL  82  86.018   4.192  -3.732
  624   2HG2  VAL  82          HG21      VAL  82  85.388   3.485  -5.217
  625   3HG2  VAL  82          HG23      VAL  82  86.088   2.444  -3.979
  626    H    LEU  83           HN       LEU  83  88.955   5.890  -6.650
  627    HA   LEU  83           HA       LEU  83  91.638   4.797  -6.884
  628   1HB   LEU  83          2HB       LEU  83  90.154   6.988  -8.353
  629   2HB   LEU  83          3HB       LEU  83  91.781   6.463  -8.788
  630    HG   LEU  83           HG       LEU  83  89.379   4.618  -8.627
  631   1HD1  LEU  83          HD13      LEU  83  90.650   6.119 -10.921
  632   2HD1  LEU  83          HD12      LEU  83  89.740   4.634 -11.190
  633   3HD1  LEU  83          HD11      LEU  83  88.943   6.034 -10.480
  634   1HD2  LEU  83          HD21      LEU  83  92.279   4.309  -9.379
  635   2HD2  LEU  83          HD23      LEU  83  91.284   3.267  -8.362
  636   3HD2  LEU  83          HD22      LEU  83  91.071   3.260 -10.113
  637    H    HIS  84           HN       HIS  84  90.298   7.932  -5.833
  638    HA   HIS  84           HA       HIS  84  92.830   9.257  -5.643
  639   1HB   HIS  84          2HB       HIS  84  90.593  10.407  -5.568
  640   2HB   HIS  84          3HB       HIS  84  90.393   9.783  -3.926
  641    HD1  HIS  84           HD1      HIS  84  92.209  10.578  -2.144
  642    HD2  HIS  84           HD2      HIS  84  92.245  12.665  -5.751
  643    HE1  HIS  84           HE1      HIS  84  93.597  12.659  -1.752
  644    H    TYR  85           HN       TYR  85  90.990   7.296  -3.330
  645    HA   TYR  85           HA       TYR  85  92.749   7.761  -1.106
  646   1HB   TYR  85          2HB       TYR  85  90.747   5.614  -1.790
  647   2HB   TYR  85          3HB       TYR  85  91.733   5.508  -0.328
  648    HD1  TYR  85           HD2      TYR  85  90.833   8.846  -1.585
  649    HD2  TYR  85           HD1      TYR  85  89.672   5.655   1.051
  650    HE1  TYR  85           HE2      TYR  85  89.283  10.382  -0.408
  651    HE2  TYR  85           HE1      TYR  85  88.122   7.192   2.222
  652    HH   TYR  85           HH       TYR  85  87.593   9.395   2.525
  653    H    GLN  86           HN       GLN  86  92.833   5.650  -3.864
  654    HA   GLN  86           HA       GLN  86  94.787   3.767  -2.927
  655   1HB   GLN  86          2HB       GLN  86  93.505   3.352  -4.962
  656   2HB   GLN  86          3HB       GLN  86  94.176   4.794  -5.719
  657   1HG   GLN  86          2HG       GLN  86  96.406   3.848  -5.694
  658   2HG   GLN  86          3HG       GLN  86  95.846   2.451  -4.779
  659   1HE2  GLN  86          HE22      GLN  86  95.769   2.183  -8.718
  660   2HE2  GLN  86          HE21      GLN  86  96.764   3.222  -7.821
  661    H    HIS  87           HN       HIS  87  95.038   6.997  -4.354
  662    HA   HIS  87           HA       HIS  87  97.979   6.781  -4.438
  663   1HB   HIS  87          2HB       HIS  87  96.122   9.077  -5.139
  664   2HB   HIS  87          3HB       HIS  87  97.871   9.050  -5.416
  665    HD1  HIS  87           HD1      HIS  87  98.607   6.681  -6.747
  666    HD2  HIS  87           HD2      HIS  87  94.788   8.213  -7.399
  667    HE1  HIS  87           HE1      HIS  87  97.781   5.643  -8.900
  668    H    THR  88           HN       THR  88  95.577   7.767  -2.210
  669    HA   THR  88           HA       THR  88  97.484   9.579  -0.814
  670    HB   THR  88           HB       THR  88  94.559   9.020  -0.239
  671    HG1  THR  88           HG1      THR  88  95.248  11.510  -1.036
  672   1HG2  THR  88          HG22      THR  88  96.698  10.495   1.148
  673   2HG2  THR  88          HG21      THR  88  95.214  11.418   0.913
  674   3HG2  THR  88          HG23      THR  88  95.168   9.873   1.773
  675    H    SER  89           HN       SER  89  98.422   9.025   1.110
  676    HA   SER  89           HA       SER  89  98.078   6.238   1.993
  677   1HB   SER  89          2HB       SER  89 100.345   7.240   1.849
  678   2HB   SER  89          3HB       SER  89  99.887   8.430   3.064
  679    HG   SER  89           HG       SER  89 100.651   6.911   4.343
  680    H    LEU  90           HN       LEU  90  96.717   5.681   3.614
  681    HA   LEU  90           HA       LEU  90  95.070   7.620   4.949
  682   1HB   LEU  90          2HB       LEU  90  95.561   4.677   5.474
  683   2HB   LEU  90          3HB       LEU  90  94.358   5.633   6.348
  684    HG   LEU  90           HG       LEU  90  94.457   5.334   3.330
  685   1HD1  LEU  90          HD13      LEU  90  93.876   3.228   4.586
  686   2HD1  LEU  90          HD12      LEU  90  92.527   4.101   5.312
  687   3HD1  LEU  90          HD11      LEU  90  92.571   3.839   3.570
  688   1HD2  LEU  90          HD22      LEU  90  92.889   6.954   5.241
  689   2HD2  LEU  90          HD21      LEU  90  93.207   7.226   3.530
  690   3HD2  LEU  90          HD23      LEU  90  91.937   6.111   4.019
  691    H    VAL  91           HN       VAL  91  98.205   6.351   5.675
  692    HA   VAL  91           HA       VAL  91  98.919   6.198   8.201
  693    HB   VAL  91           HB       VAL  91 100.415   7.004   6.347
  694   1HG1  VAL  91          HG12      VAL  91  98.820   8.977   5.874
  695   2HG1  VAL  91          HG11      VAL  91  99.648   9.793   7.204
  696   3HG1  VAL  91          HG13      VAL  91 100.552   9.287   5.777
  697   1HG2  VAL  91          HG22      VAL  91 100.954   7.050   8.922
  698   2HG2  VAL  91          HG21      VAL  91 102.039   7.859   7.793
  699   3HG2  VAL  91          HG23      VAL  91 100.867   8.797   8.716
  700    H    GLN  92           HN       GLN  92  97.611   9.327   7.029
  701    HA   GLN  92           HA       GLN  92  96.605  11.102   8.185
  702   1HB   GLN  92          2HB       GLN  92  94.979   9.241   8.569
  703   2HB   GLN  92          3HB       GLN  92  95.803   8.889  10.087
  704   1HG   GLN  92          2HG       GLN  92  95.104  10.876  11.090
  705   2HG   GLN  92          3HG       GLN  92  94.841  11.683   9.536
  706   1HE2  GLN  92          HE22      GLN  92  91.571  10.465  11.128
  707   2HE2  GLN  92          HE21      GLN  92  92.884  11.294  11.802
  708    H    HIS  93           HN       HIS  93  96.358  12.016  10.589
  709    HA   HIS  93           HA       HIS  93  98.981  12.599  11.508
  710   1HB   HIS  93          2HB       HIS  93  96.321  12.863  12.940
  711   2HB   HIS  93          3HB       HIS  93  97.833  13.589  13.492
  712    HD1  HIS  93           HD1      HIS  93  99.053  14.991  11.286
  713    HD2  HIS  93           HD2      HIS  93  94.896  14.711  11.470
  714    HE1  HIS  93           HE1      HIS  93  98.143  16.835   9.804
  715    H    ASN  94           HN       ASN  94  96.733  10.038  12.379
  716    HA   ASN  94           HA       ASN  94  97.878   9.222  14.849
  717   1HB   ASN  94          2HB       ASN  94  96.630   7.575  12.628
  718   2HB   ASN  94          3HB       ASN  94  97.047   6.926  14.216
  719   1HD2  ASN  94          HD22      ASN  94  93.472   8.449  13.972
  720   2HD2  ASN  94          HD21      ASN  94  94.323   7.590  12.781
  721    H    ASP  95           HN       ASP  95  99.040   8.993  11.598
  722    HA   ASP  95           HA       ASP  95 101.078   8.230  10.750
  723   1HB   ASP  95          2HB       ASP  95 101.890   9.538  12.790
  724   2HB   ASP  95          3HB       ASP  95 101.991   7.981  13.613
  725    H    SER  96           HN       SER  96  99.041   6.235  11.135
  726    HA   SER  96           HA       SER  96 100.825   3.906  11.398
  727   1HB   SER  96          2HB       SER  96  98.296   4.168  13.043
  728   2HB   SER  96          3HB       SER  96  99.252   2.698  12.894
  729    HG   SER  96           HG       SER  96 101.039   4.297  13.544
  730    H    LEU  97           HN       LEU  97  98.419   5.437   9.767
  731    HA   LEU  97           HA       LEU  97  97.268   2.888   8.738
  732   1HB   LEU  97          2HB       LEU  97  96.433   5.771   8.381
  733   2HB   LEU  97          3HB       LEU  97  95.627   4.408   7.622
  734    HG   LEU  97           HG       LEU  97  96.000   4.693  10.606
  735   1HD1  LEU  97          HD13      LEU  97  94.344   6.220   8.962
  736   2HD1  LEU  97          HD12      LEU  97  93.285   4.937   9.554
  737   3HD1  LEU  97          HD11      LEU  97  94.140   5.979  10.695
  738   1HD2  LEU  97          HD22      LEU  97  94.689   2.731   8.759
  739   2HD2  LEU  97          HD21      LEU  97  95.580   2.438  10.255
  740   3HD2  LEU  97          HD23      LEU  97  93.929   3.040  10.318
  741    H    ASN  98           HN       ASN  98  99.836   3.154   8.027
  742    HA   ASN  98           HA       ASN  98 100.160   4.681   5.566
  743   1HB   ASN  98          2HB       ASN  98 101.819   2.976   7.303
  744   2HB   ASN  98          3HB       ASN  98 102.255   2.933   5.590
  745   1HD2  ASN  98          HD22      ASN  98 102.819   6.366   7.741
  746   2HD2  ASN  98          HD21      ASN  98 101.938   5.081   8.410
  747    H    VAL  99           HN       VAL  99  98.161   3.610   4.670
  748    HA   VAL  99           HA       VAL  99  99.008   1.430   2.875
  749    HB   VAL  99           HB       VAL  99  96.707   1.243   4.821
  750   1HG1  VAL  99          HG13      VAL  99  96.986   0.123   2.094
  751   2HG1  VAL  99          HG12      VAL  99  96.445  -1.007   3.342
  752   3HG1  VAL  99          HG11      VAL  99  95.527   0.467   3.022
  753   1HG2  VAL  99          HG21      VAL  99  99.055  -0.531   4.110
  754   2HG2  VAL  99          HG23      VAL  99  98.774   0.296   5.639
  755   3HG2  VAL  99          HG22      VAL  99  97.736  -1.040   5.159
  756    H    THR 100           HN       THR 100  97.648   1.381   0.985
  757    HA   THR 100           HA       THR 100  95.805   3.726   0.815
  758    HB   THR 100           HB       THR 100  96.564   4.178  -1.408
  759    HG1  THR 100           HG1      THR 100  98.127   1.825  -1.162
  760   1HG2  THR 100          HG22      THR 100  98.255   4.316   0.800
  761   2HG2  THR 100          HG21      THR 100  99.260   3.608  -0.463
  762   3HG2  THR 100          HG23      THR 100  98.474   5.163  -0.731
  763    H    LEU 101           HN       LEU 101  93.996   3.354  -0.723
  764    HA   LEU 101           HA       LEU 101  93.137   0.547  -0.616
  765   1HB   LEU 101          2HB       LEU 101  91.754   2.903  -1.923
  766   2HB   LEU 101          3HB       LEU 101  91.018   1.367  -1.445
  767    HG   LEU 101           HG       LEU 101  92.187   3.480   0.391
  768   1HD1  LEU 101          HD13      LEU 101  89.392   2.373  -0.011
  769   2HD1  LEU 101          HD12      LEU 101  89.849   3.475   1.287
  770   3HD1  LEU 101          HD11      LEU 101  89.947   4.004  -0.391
  771   1HD2  LEU 101          HD22      LEU 101  91.223   0.665   0.954
  772   2HD2  LEU 101          HD21      LEU 101  92.789   1.356   1.347
  773   3HD2  LEU 101          HD23      LEU 101  91.353   1.894   2.210
  774    H    ALA 102           HN       ALA 102  95.100   0.038  -2.046
  775    HA   ALA 102           HA       ALA 102  94.549   0.604  -4.913
  776   1HB   ALA 102           HB2      ALA 102  96.832   0.889  -3.525
  777   2HB   ALA 102           HB1      ALA 102  97.036  -0.777  -4.068
  778   3HB   ALA 102           HB3      ALA 102  96.809   0.517  -5.245
  779    H    TYR 103           HN       TYR 103  94.473  -2.033  -2.625
  780    HA   TYR 103           HA       TYR 103  94.419  -3.956  -4.913
  781   1HB   TYR 103          2HB       TYR 103  95.097  -4.292  -1.997
  782   2HB   TYR 103          3HB       TYR 103  94.841  -5.662  -3.074
  783    HD1  TYR 103           HD2      TYR 103  97.020  -2.781  -2.295
  784    HD2  TYR 103           HD1      TYR 103  96.393  -6.150  -4.891
  785    HE1  TYR 103           HE2      TYR 103  99.330  -2.538  -3.178
  786    HE2  TYR 103           HE1      TYR 103  98.697  -5.906  -5.766
  787    HH   TYR 103           HH       TYR 103 100.428  -3.451  -5.745
  788    HA   PRO 104           HA       PRO 104  89.961  -4.113  -3.885
  789   1HB   PRO 104          2HB       PRO 104  89.952  -6.076  -6.104
  790   2HB   PRO 104          3HB       PRO 104  89.010  -4.587  -5.906
  791   1HG   PRO 104          2HG       PRO 104  91.006  -4.798  -7.683
  792   2HG   PRO 104          3HG       PRO 104  90.619  -3.278  -6.855
  793   1HD   PRO 104          2HD       PRO 104  92.877  -5.176  -6.352
  794   2HD   PRO 104          3HD       PRO 104  92.831  -3.399  -6.215
  795    H    VAL 105           HN       VAL 105  88.818  -5.707  -2.681
  796    HA   VAL 105           HA       VAL 105  90.356  -7.944  -1.685
  797    HB   VAL 105           HB       VAL 105  88.544  -6.800  -0.407
  798   1HG1  VAL 105          HG11      VAL 105  86.980  -6.561  -2.315
  799   2HG1  VAL 105          HG13      VAL 105  86.768  -8.307  -2.341
  800   3HG1  VAL 105          HG12      VAL 105  86.204  -7.371  -0.956
  801   1HG2  VAL 105          HG21      VAL 105  89.180  -9.559  -0.560
  802   2HG2  VAL 105          HG23      VAL 105  88.486  -8.700   0.816
  803   3HG2  VAL 105          HG22      VAL 105  87.429  -9.470  -0.366
  804    H    TYR 106           HN       TYR 106  87.833  -7.565  -4.135
  805    HA   TYR 106           HA       TYR 106  88.141 -10.452  -4.829
  806   1HB   TYR 106          2HB       TYR 106  85.928  -8.487  -5.437
  807   2HB   TYR 106          3HB       TYR 106  86.008 -10.113  -6.115
  808    HD1  TYR 106           HD1      TYR 106  86.579 -11.977  -4.201
  809    HD2  TYR 106           HD2      TYR 106  84.574  -8.228  -3.570
  810    HE1  TYR 106           HE1      TYR 106  85.504 -12.888  -2.161
  811    HE2  TYR 106           HE2      TYR 106  83.510  -9.146  -1.531
  812    HH   TYR 106           HH       TYR 106  84.234 -12.444  -0.421
  813    H    ALA 107           HN       ALA 107  90.170  -8.658  -5.634
  814    HA   ALA 107           HA       ALA 107  89.844  -7.474  -8.184
  815   1HB   ALA 107           HB1      ALA 107  91.953  -7.796  -6.467
  816   2HB   ALA 107           HB3      ALA 107  92.399  -8.898  -7.772
  817   3HB   ALA 107           HB2      ALA 107  92.108  -7.195  -8.119
  818    H    GLN 108           HN       GLN 108  89.401  -8.400 -10.146
  819    HA   GLN 108           HA       GLN 108  90.149 -11.266 -10.497
  820   1HB   GLN 108          2HB       GLN 108  87.531  -9.910 -11.170
  821   2HB   GLN 108          3HB       GLN 108  88.002 -11.467 -11.857
  822   1HG   GLN 108          2HG       GLN 108  88.105 -12.471  -9.655
  823   2HG   GLN 108          3HG       GLN 108  87.853 -10.910  -8.877
  824   1HE2  GLN 108          HE22      GLN 108  84.390 -11.634  -8.855
  825   2HE2  GLN 108          HE21      GLN 108  85.776 -11.243  -7.943
  826    H    GLN 109           HN       GLN 109  90.974 -11.756 -12.543
  827    HA   GLN 109           HA       GLN 109  91.446  -9.380 -14.275
  828   1HB   GLN 109          2HB       GLN 109  93.417 -10.685 -13.489
  829   2HB   GLN 109          3HB       GLN 109  92.774 -12.100 -14.318
  830   1HG   GLN 109          2HG       GLN 109  94.358 -11.080 -15.815
  831   2HG   GLN 109          3HG       GLN 109  92.752 -10.745 -16.444
  832   1HE2  GLN 109          HE22      GLN 109  93.503  -7.316 -16.527
  833   2HE2  GLN 109          HE21      GLN 109  92.877  -8.678 -17.330
  834    H    ARG 110           HN       ARG 110  90.374  -9.231 -16.188
  835    HA   ARG 110           HA       ARG 110  89.294 -11.743 -17.393
  836   1HB   ARG 110          2HB       ARG 110  87.513 -10.370 -16.248
  837   2HB   ARG 110          3HB       ARG 110  87.881  -9.058 -17.378
  838   1HG   ARG 110          2HG       ARG 110  87.592 -11.167 -19.090
  839   2HG   ARG 110          3HG       ARG 110  86.425 -11.584 -17.840
  840   1HD   ARG 110          2HD       ARG 110  85.391  -9.363 -18.047
  841   2HD   ARG 110          3HD       ARG 110  86.576  -8.916 -19.268
  842    HE   ARG 110           HE       ARG 110  85.373 -11.244 -20.246
  843   1HH1  ARG 110          HH21      ARG 110  84.384  -8.158 -19.100
  844   2HH1  ARG 110          HH22      ARG 110  83.017  -8.041 -20.150
  845   1HH2  ARG 110          HH11      ARG 110  83.555 -11.123 -21.646
  846   2HH2  ARG 110          HH12      ARG 110  82.542  -9.725 -21.580
  847    H    ARG 111           HN       ARG 111  89.285 -11.751 -19.712
  848    HA   ARG 111           HA       ARG 111  91.395 -10.519 -21.064
  849   1HB   ARG 111          2HB       ARG 111  88.696 -11.291 -22.224
  850   2HB   ARG 111          3HB       ARG 111  90.169 -11.022 -23.157
  851   1HG   ARG 111          2HG       ARG 111  91.288 -12.833 -21.841
  852   2HG   ARG 111          3HG       ARG 111  89.745 -13.146 -21.038
  853   1HD   ARG 111          2HD       ARG 111  90.069 -14.697 -22.919
  854   2HD   ARG 111          3HD       ARG 111  88.708 -13.625 -23.228
  855    HE   ARG 111           HE       ARG 111  90.916 -12.347 -24.368
  856   1HH1  ARG 111          HH21      ARG 111  89.325 -15.396 -24.594
  857   2HH1  ARG 111          HH22      ARG 111  89.772 -15.656 -26.248
  858   1HH2  ARG 111          HH11      ARG 111  91.497 -12.655 -26.520
  859   2HH2  ARG 111          HH12      ARG 111  90.993 -14.093 -27.344
   
  No H/Q in entry =         859
  Start of MODEL   30
    1   1H    GLU   1           HT3      GLU   1  95.862  -1.734 -18.119
    2   2H    GLU   1           HT2      GLU   1  95.443  -1.526 -19.749
    3   3H    GLU   1           HT1      GLU   1  97.044  -1.274 -19.243
    4    HA   GLU   1           HA       GLU   1  96.563   0.713 -18.191
    5   1HB   GLU   1          2HB       GLU   1  96.386   0.845 -20.677
    6   2HB   GLU   1          3HB       GLU   1  94.648   0.574 -20.538
    7   1HG   GLU   1          2HG       GLU   1  94.332   2.621 -19.336
    8   2HG   GLU   1          3HG       GLU   1  96.066   2.836 -19.119
    9    H    ASP   2           HN       ASP   2  93.598  -1.121 -18.857
   10    HA   ASP   2           HA       ASP   2  91.825   0.575 -17.376
   11   1HB   ASP   2          2HB       ASP   2  91.732  -2.372 -18.077
   12   2HB   ASP   2          3HB       ASP   2  90.414  -1.545 -17.238
   13    H    LEU   3           HN       LEU   3  91.308   0.585 -15.178
   14    HA   LEU   3           HA       LEU   3  93.124  -0.993 -13.431
   15   1HB   LEU   3          2HB       LEU   3  91.370   1.410 -12.833
   16   2HB   LEU   3          3HB       LEU   3  92.394   0.591 -11.654
   17    HG   LEU   3           HG       LEU   3  93.419   1.845 -14.220
   18   1HD1  LEU   3          HD12      LEU   3  93.058   2.898 -11.437
   19   2HD1  LEU   3          HD11      LEU   3  94.485   3.395 -12.345
   20   3HD1  LEU   3          HD13      LEU   3  92.874   3.731 -12.980
   21   1HD2  LEU   3          HD22      LEU   3  94.680   0.447 -11.864
   22   2HD2  LEU   3          HD21      LEU   3  94.972   0.192 -13.583
   23   3HD2  LEU   3          HD23      LEU   3  95.597   1.636 -12.790
   24    HA   PRO   4           HA       PRO   4  89.795  -3.824 -12.465
   25   1HB   PRO   4          2HB       PRO   4  90.959  -3.872  -9.732
   26   2HB   PRO   4          3HB       PRO   4  90.640  -5.215 -10.843
   27   1HG   PRO   4          2HG       PRO   4  93.115  -4.266 -10.344
   28   2HG   PRO   4          3HG       PRO   4  92.647  -5.009 -11.881
   29   1HD   PRO   4          2HD       PRO   4  93.195  -2.160 -11.273
   30   2HD   PRO   4          3HD       PRO   4  93.263  -3.025 -12.826
   31    H    HIS   5           HN       HIS   5  90.469  -0.876 -10.870
   32    HA   HIS   5           HA       HIS   5  88.349  -0.861  -8.932
   33   1HB   HIS   5          2HB       HIS   5  89.704   1.439 -10.374
   34   2HB   HIS   5          3HB       HIS   5  88.697   1.596  -8.938
   35    HD1  HIS   5           HD1      HIS   5  89.600  -0.283  -6.954
   36    HD2  HIS   5           HD2      HIS   5  92.357   1.332  -9.630
   37    HE1  HIS   5           HE1      HIS   5  91.887  -0.607  -5.918
   38    H    HIS   6           HN       HIS   6  88.356  -0.775 -12.330
   39    HA   HIS   6           HA       HIS   6  86.075   0.890 -12.836
   40   1HB   HIS   6          2HB       HIS   6  87.264  -1.462 -14.334
   41   2HB   HIS   6          3HB       HIS   6  85.862  -0.575 -14.932
   42    HD1  HIS   6           HD1      HIS   6  87.716  -0.051 -16.931
   43    HD2  HIS   6           HD2      HIS   6  88.254   1.883 -13.276
   44    HE1  HIS   6           HE1      HIS   6  89.275   1.898 -17.374
   45    H    ASP   7           HN       ASP   7  86.430  -2.455 -11.792
   46    HA   ASP   7           HA       ASP   7  83.494  -2.824 -11.923
   47   1HB   ASP   7          2HB       ASP   7  85.756  -4.757 -11.401
   48   2HB   ASP   7          3HB       ASP   7  84.045  -5.201 -11.367
   49    H    GLU   8           HN       GLU   8  82.270  -2.875 -10.086
   50    HA   GLU   8           HA       GLU   8  83.398  -2.006  -7.575
   51   1HB   GLU   8          2HB       GLU   8  80.680  -3.099  -8.322
   52   2HB   GLU   8          3HB       GLU   8  81.079  -2.532  -6.705
   53   1HG   GLU   8          2HG       GLU   8  81.502  -0.312  -7.488
   54   2HG   GLU   8          3HG       GLU   8  81.441  -0.825  -9.175
   55    H    LYS   9           HN       LYS   9  82.713  -5.118  -8.971
   56    HA   LYS   9           HA       LYS   9  82.609  -6.712  -6.617
   57   1HB   LYS   9          2HB       LYS   9  83.060  -8.568  -8.065
   58   2HB   LYS   9          3HB       LYS   9  82.162  -7.405  -9.052
   59   1HG   LYS   9          2HG       LYS   9  84.519  -6.447  -9.625
   60   2HG   LYS   9          3HG       LYS   9  85.113  -8.006  -9.062
   61   1HD   LYS   9          2HD       LYS   9  83.751  -9.170 -10.709
   62   2HD   LYS   9          3HD       LYS   9  83.022  -7.646 -11.225
   63   1HE   LYS   9          2HE       LYS   9  85.439  -6.861 -11.668
   64   2HE   LYS   9          3HE       LYS   9  85.880  -8.561 -11.559
   65   1HZ   LYS   9           HZ3      LYS   9  83.660  -7.727 -13.302
   66   2HZ   LYS   9           HZ2      LYS   9  85.263  -7.549 -13.836
   67   3HZ   LYS   9           HZ1      LYS   9  84.667  -9.087 -13.425
   68    H    THR  10           HN       THR  10  85.359  -5.466  -8.459
   69    HA   THR  10           HA       THR  10  87.390  -7.047  -7.262
   70    HB   THR  10           HB       THR  10  88.871  -5.020  -7.830
   71    HG1  THR  10           HG1      THR  10  87.870  -3.424  -9.016
   72   1HG2  THR  10          HG21      THR  10  87.247  -6.704  -9.655
   73   2HG2  THR  10          HG23      THR  10  88.076  -5.331 -10.389
   74   3HG2  THR  10          HG22      THR  10  88.999  -6.555  -9.518
   75    H    TRP  11           HN       TRP  11  85.768  -4.134  -6.096
   76    HA   TRP  11           HA       TRP  11  87.363  -4.413  -3.582
   77   1HB   TRP  11          2HB       TRP  11  86.378  -1.859  -3.487
   78   2HB   TRP  11          3HB       TRP  11  87.989  -2.281  -4.068
   79    HD1  TRP  11           HD1      TRP  11  88.006  -2.970  -6.813
   80    HE1  TRP  11           HE1      TRP  11  86.809  -1.749  -8.746
   81    HE3  TRP  11           HE3      TRP  11  84.526  -0.403  -4.149
   82    HZ2  TRP  11           HZ2      TRP  11  84.641   0.133  -9.080
   83    HZ3  TRP  11           HZ3      TRP  11  82.914   1.095  -5.273
   84    HH2  TRP  11           HH2      TRP  11  82.968   1.368  -7.736
   85    H    ASN  12           HN       ASN  12  84.167  -3.699  -4.968
   86    HA   ASN  12           HA       ASN  12  82.952  -3.629  -2.294
   87   1HB   ASN  12          2HB       ASN  12  82.145  -2.216  -4.222
   88   2HB   ASN  12          3HB       ASN  12  81.550  -3.701  -4.964
   89   1HD2  ASN  12          HD22      ASN  12  78.538  -3.249  -3.178
   90   2HD2  ASN  12          HD21      ASN  12  79.281  -3.429  -4.692
   91    H    VAL  13           HN       VAL  13  82.272  -5.418  -1.252
   92    HA   VAL  13           HA       VAL  13  82.044  -7.949  -2.780
   93    HB   VAL  13           HB       VAL  13  81.934  -7.414   0.207
   94   1HG1  VAL  13          HG11      VAL  13  81.782  -9.903  -1.482
   95   2HG1  VAL  13          HG13      VAL  13  82.441  -9.975   0.152
   96   3HG1  VAL  13          HG12      VAL  13  80.780  -9.437  -0.110
   97   1HG2  VAL  13          HG22      VAL  13  84.121  -8.064  -1.732
   98   2HG2  VAL  13          HG21      VAL  13  84.164  -7.031  -0.306
   99   3HG2  VAL  13          HG23      VAL  13  84.197  -8.787  -0.122
  100    H    GLY  14           HN       GLY  14  80.108  -5.399  -1.850
  101   1HA   GLY  14          2HA       GLY  14  77.755  -5.351  -2.442
  102   2HA   GLY  14          3HA       GLY  14  77.679  -7.092  -2.156
  103    H    SER  15           HN       SER  15  75.783  -6.512  -0.785
  104    HA   SER  15           HA       SER  15  76.311  -5.025   1.675
  105   1HB   SER  15          2HB       SER  15  73.917  -6.741   0.955
  106   2HB   SER  15          3HB       SER  15  73.998  -5.525   2.226
  107    HG   SER  15           HG       SER  15  73.047  -4.763   0.250
  108    H    SER  16           HN       SER  16  78.216  -6.762   1.895
  109    HA   SER  16           HA       SER  16  77.376  -9.317   3.038
  110   1HB   SER  16          2HB       SER  16  79.767  -9.674   3.430
  111   2HB   SER  16          3HB       SER  16  79.519  -9.058   1.798
  112    HG   SER  16           HG       SER  16  80.639  -7.838   4.047
  113    H    ASN  17           HN       ASN  17  77.801  -9.915   5.298
  114    HA   ASN  17           HA       ASN  17  76.956  -7.864   7.151
  115   1HB   ASN  17          2HB       ASN  17  78.070 -10.646   7.623
  116   2HB   ASN  17          3HB       ASN  17  77.384  -9.625   8.885
  117   1HD2  ASN  17          HD22      ASN  17  74.882 -11.884   6.816
  118   2HD2  ASN  17          HD21      ASN  17  76.542 -12.180   6.995
  119    H    ARG  18           HN       ARG  18  78.201  -6.725   8.676
  120    HA   ARG  18           HA       ARG  18  80.906  -6.152   8.004
  121   1HB   ARG  18          2HB       ARG  18  79.331  -5.704  10.548
  122   2HB   ARG  18          3HB       ARG  18  80.981  -5.129  10.335
  123   1HG   ARG  18          2HG       ARG  18  80.251  -3.914   8.283
  124   2HG   ARG  18          3HG       ARG  18  78.594  -4.414   8.606
  125   1HD   ARG  18          2HD       ARG  18  78.610  -3.254  10.738
  126   2HD   ARG  18          3HD       ARG  18  80.309  -2.841  10.555
  127    HE   ARG  18           HE       ARG  18  78.069  -1.377   9.516
  128   1HH1  ARG  18          HH21      ARG  18  81.172  -2.545   8.541
  129   2HH1  ARG  18          HH22      ARG  18  81.307  -1.434   7.220
  130   1HH2  ARG  18          HH11      ARG  18  78.243   0.066   7.815
  131   2HH2  ARG  18          HH12      ARG  18  79.653   0.042   6.811
  132    H    ASN  19           HN       ASN  19  79.514  -8.434  10.358
  133    HA   ASN  19           HA       ASN  19  81.998  -9.182  11.570
  134   1HB   ASN  19          2HB       ASN  19  80.825 -11.157  12.368
  135   2HB   ASN  19          3HB       ASN  19  79.719  -9.786  12.460
  136   1HD2  ASN  19          HD22      ASN  19  78.016 -12.712  10.780
  137   2HD2  ASN  19          HD21      ASN  19  78.831 -12.545  12.261
  138    H    LYS  20           HN       LYS  20  80.229 -10.438   8.748
  139    HA   LYS  20           HA       LYS  20  82.014 -12.575   8.135
  140   1HB   LYS  20          2HB       LYS  20  79.785 -12.243   7.057
  141   2HB   LYS  20          3HB       LYS  20  80.450 -10.866   6.178
  142   1HG   LYS  20          2HG       LYS  20  82.241 -12.437   5.294
  143   2HG   LYS  20          3HG       LYS  20  81.295 -13.763   5.973
  144   1HD   LYS  20          2HD       LYS  20  79.396 -13.220   4.594
  145   2HD   LYS  20          3HD       LYS  20  80.157 -11.725   4.049
  146   1HE   LYS  20          2HE       LYS  20  81.903 -12.986   2.898
  147   2HE   LYS  20          3HE       LYS  20  81.244 -14.503   3.507
  148   1HZ   LYS  20           HZ3      LYS  20  79.250 -12.931   2.221
  149   2HZ   LYS  20           HZ2      LYS  20  80.551 -13.240   1.175
  150   3HZ   LYS  20           HZ1      LYS  20  79.721 -14.530   1.911
  151    H    ALA  21           HN       ALA  21  82.101  -9.122   7.353
  152    HA   ALA  21           HA       ALA  21  84.242  -9.171   5.483
  153   1HB   ALA  21           HB3      ALA  21  82.731  -7.220   6.821
  154   2HB   ALA  21           HB2      ALA  21  84.404  -6.895   7.281
  155   3HB   ALA  21           HB1      ALA  21  83.947  -6.931   5.576
  156    H    GLU  22           HN       GLU  22  84.180  -9.302   9.003
  157    HA   GLU  22           HA       GLU  22  86.944  -8.872   9.500
  158   1HB   GLU  22          2HB       GLU  22  85.179  -9.021  11.278
  159   2HB   GLU  22          3HB       GLU  22  85.095 -10.762  10.996
  160   1HG   GLU  22          2HG       GLU  22  87.358 -11.080  11.686
  161   2HG   GLU  22          3HG       GLU  22  87.683  -9.349  11.653
  162    H    ASN  23           HN       ASN  23  85.126 -11.816   8.701
  163    HA   ASN  23           HA       ASN  23  87.264 -13.680   8.853
  164   1HB   ASN  23          2HB       ASN  23  84.842 -14.261   8.581
  165   2HB   ASN  23          3HB       ASN  23  84.926 -13.684   6.923
  166   1HD2  ASN  23          HD22      ASN  23  86.640 -17.272   7.902
  167   2HD2  ASN  23          HD21      ASN  23  86.185 -16.191   9.129
  168    H    LEU  24           HN       LEU  24  86.042 -11.724   6.118
  169    HA   LEU  24           HA       LEU  24  88.055 -12.586   4.242
  170   1HB   LEU  24          2HB       LEU  24  86.300 -10.123   4.372
  171   2HB   LEU  24          3HB       LEU  24  87.367 -10.487   3.015
  172    HG   LEU  24           HG       LEU  24  84.843 -11.247   2.968
  173   1HD1  LEU  24          HD11      LEU  24  86.655 -11.734   1.294
  174   2HD1  LEU  24          HD13      LEU  24  87.039 -13.189   2.214
  175   3HD1  LEU  24          HD12      LEU  24  85.461 -13.024   1.448
  176   1HD2  LEU  24          HD23      LEU  24  84.924 -12.472   5.111
  177   2HD2  LEU  24          HD22      LEU  24  84.534 -13.545   3.778
  178   3HD2  LEU  24          HD21      LEU  24  86.155 -13.545   4.456
  179    H    LEU  25           HN       LEU  25  87.871 -10.014   6.660
  180    HA   LEU  25           HA       LEU  25  90.401  -8.803   5.773
  181   1HB   LEU  25          2HB       LEU  25  88.724  -8.446   8.276
  182   2HB   LEU  25          3HB       LEU  25  90.178  -7.513   7.924
  183    HG   LEU  25           HG       LEU  25  87.960  -7.626   5.896
  184   1HD1  LEU  25          HD12      LEU  25  87.305  -6.857   8.396
  185   2HD1  LEU  25          HD11      LEU  25  88.033  -5.355   7.831
  186   3HD1  LEU  25          HD13      LEU  25  86.662  -6.053   6.969
  187   1HD2  LEU  25          HD21      LEU  25  90.206  -6.650   5.358
  188   2HD2  LEU  25          HD23      LEU  25  88.904  -5.464   5.256
  189   3HD2  LEU  25          HD22      LEU  25  89.970  -5.483   6.660
  190    H    ARG  26           HN       ARG  26  89.407 -11.437   7.713
  191    HA   ARG  26           HA       ARG  26  91.669 -11.469   9.514
  192   1HB   ARG  26          2HB       ARG  26  89.247 -12.956   9.093
  193   2HB   ARG  26          3HB       ARG  26  90.601 -14.085   9.190
  194   1HG   ARG  26          2HG       ARG  26  91.337 -12.757  11.259
  195   2HG   ARG  26          3HG       ARG  26  89.729 -12.030  11.217
  196   1HD   ARG  26          2HD       ARG  26  89.217 -14.742  10.912
  197   2HD   ARG  26          3HD       ARG  26  90.540 -14.714  12.079
  198    HE   ARG  26           HE       ARG  26  87.894 -14.200  12.767
  199   1HH1  ARG  26          HH21      ARG  26  90.822 -12.371  12.748
  200   2HH1  ARG  26          HH22      ARG  26  90.355 -11.370  14.079
  201   1HH2  ARG  26          HH11      ARG  26  87.287 -12.913  14.514
  202   2HH2  ARG  26          HH12      ARG  26  88.362 -11.674  15.077
  203    H    GLY  27           HN       GLY  27  93.699 -12.026   8.971
  204   1HA   GLY  27          2HA       GLY  27  95.453 -13.219   7.932
  205   2HA   GLY  27          3HA       GLY  27  94.237 -14.248   7.164
  206    H    LYS  28           HN       LYS  28  93.783 -10.852   6.861
  207    HA   LYS  28           HA       LYS  28  94.395 -11.077   3.974
  208   1HB   LYS  28          2HB       LYS  28  92.172 -10.169   4.805
  209   2HB   LYS  28          3HB       LYS  28  93.066  -8.771   5.407
  210   1HG   LYS  28          2HG       LYS  28  92.381  -8.098   3.244
  211   2HG   LYS  28          3HG       LYS  28  94.053  -8.618   3.021
  212   1HD   LYS  28          2HD       LYS  28  92.319 -10.902   2.773
  213   2HD   LYS  28          3HD       LYS  28  91.743  -9.625   1.708
  214   1HE   LYS  28          2HE       LYS  28  94.036  -9.397   0.779
  215   2HE   LYS  28          3HE       LYS  28  94.568 -10.719   1.818
  216   1HZ   LYS  28           HZ3      LYS  28  92.281 -11.050  -0.016
  217   2HZ   LYS  28           HZ2      LYS  28  93.877 -11.268  -0.562
  218   3HZ   LYS  28           HZ1      LYS  28  93.262 -12.243   0.684
  219    H    ARG  29           HN       ARG  29  96.028  -9.949   3.046
  220    HA   ARG  29           HA       ARG  29  98.041  -8.731   4.744
  221   1HB   ARG  29          2HB       ARG  29  97.774  -8.840   1.725
  222   2HB   ARG  29          3HB       ARG  29  99.197  -8.246   2.585
  223   1HG   ARG  29          2HG       ARG  29  99.511 -10.428   3.645
  224   2HG   ARG  29          3HG       ARG  29  98.041 -11.031   2.878
  225   1HD   ARG  29          2HD       ARG  29  99.544  -9.973   0.772
  226   2HD   ARG  29          3HD       ARG  29 100.728 -10.801   1.780
  227    HE   ARG  29           HE       ARG  29  99.014 -12.127   0.026
  228   1HH1  ARG  29          HH21      ARG  29  99.617 -12.105   3.424
  229   2HH1  ARG  29          HH22      ARG  29  99.014 -13.709   3.670
  230   1HH2  ARG  29          HH11      ARG  29  98.216 -14.212   0.336
  231   2HH2  ARG  29          HH12      ARG  29  98.215 -14.898   1.928
  232    H    ASP  30           HN       ASP  30  98.810  -6.531   4.517
  233    HA   ASP  30           HA       ASP  30  96.750  -4.556   4.628
  234   1HB   ASP  30          2HB       ASP  30  98.587  -2.937   4.669
  235   2HB   ASP  30          3HB       ASP  30  98.993  -4.319   5.686
  236    H    GLY  31           HN       GLY  31  96.766  -2.594   3.098
  237   1HA   GLY  31          2HA       GLY  31  96.713  -1.674   0.915
  238   2HA   GLY  31          3HA       GLY  31  97.656  -3.054   0.355
  239    H    THR  32           HN       THR  32  95.678  -4.980   1.549
  240    HA   THR  32           HA       THR  32  93.886  -5.008  -0.759
  241    HB   THR  32           HB       THR  32  93.918  -6.843   1.650
  242    HG1  THR  32           HG1      THR  32  95.707  -7.460   0.748
  243   1HG2  THR  32          HG23      THR  32  92.133  -6.551  -0.578
  244   2HG2  THR  32          HG22      THR  32  92.995  -8.082  -0.737
  245   3HG2  THR  32          HG21      THR  32  92.076  -7.732   0.728
  246    H    PHE  33           HN       PHE  33  91.947  -3.922  -0.766
  247    HA   PHE  33           HA       PHE  33  90.540  -3.671   1.849
  248   1HB   PHE  33          2HB       PHE  33  90.590  -1.415   1.849
  249   2HB   PHE  33          3HB       PHE  33  91.853  -1.550   0.633
  250    HD1  PHE  33           HD2      PHE  33  88.296  -0.908   1.254
  251    HD2  PHE  33           HD1      PHE  33  91.342  -1.195  -1.761
  252    HE1  PHE  33           HE2      PHE  33  86.795   0.177  -0.386
  253    HE2  PHE  33           HE1      PHE  33  89.815  -0.099  -3.380
  254    HZ   PHE  33           HZ       PHE  33  87.545   0.577  -2.684
  255    H    LEU  34           HN       LEU  34  88.217  -2.969   1.533
  256    HA   LEU  34           HA       LEU  34  87.105  -3.609  -1.134
  257   1HB   LEU  34          2HB       LEU  34  85.563  -5.306  -0.222
  258   2HB   LEU  34          3HB       LEU  34  87.244  -5.791  -0.021
  259    HG   LEU  34           HG       LEU  34  85.970  -4.242   2.181
  260   1HD1  LEU  34          HD11      LEU  34  85.444  -7.155   1.554
  261   2HD1  LEU  34          HD13      LEU  34  85.190  -6.447   3.150
  262   3HD1  LEU  34          HD12      LEU  34  84.250  -5.877   1.770
  263   1HD2  LEU  34          HD21      LEU  34  87.995  -6.488   1.953
  264   2HD2  LEU  34          HD23      LEU  34  88.313  -4.811   2.399
  265   3HD2  LEU  34          HD22      LEU  34  87.418  -5.865   3.496
  266    H    VAL  35           HN       VAL  35  84.766  -3.106  -1.263
  267    HA   VAL  35           HA       VAL  35  84.027  -0.940   0.651
  268    HB   VAL  35           HB       VAL  35  83.182  -1.450  -2.215
  269   1HG1  VAL  35          HG13      VAL  35  81.764  -0.117  -0.090
  270   2HG1  VAL  35          HG12      VAL  35  82.283   1.081  -1.278
  271   3HG1  VAL  35          HG11      VAL  35  81.296  -0.289  -1.781
  272   1HG2  VAL  35          HG21      VAL  35  84.772   0.706  -0.807
  273   2HG2  VAL  35          HG23      VAL  35  85.342  -0.384  -2.071
  274   3HG2  VAL  35          HG22      VAL  35  84.171   0.885  -2.450
  275    H    ARG  36           HN       ARG  36  82.222  -1.216   1.904
  276    HA   ARG  36           HA       ARG  36  80.225  -3.287   1.139
  277   1HB   ARG  36          2HB       ARG  36  80.404  -4.442   3.254
  278   2HB   ARG  36          3HB       ARG  36  82.039  -4.339   2.590
  279   1HG   ARG  36          2HG       ARG  36  82.422  -2.279   3.945
  280   2HG   ARG  36          3HG       ARG  36  80.831  -2.489   4.671
  281   1HD   ARG  36          2HD       ARG  36  81.566  -4.750   5.477
  282   2HD   ARG  36          3HD       ARG  36  83.187  -4.381   4.884
  283    HE   ARG  36           HE       ARG  36  82.454  -2.207   6.501
  284   1HH1  ARG  36          HH21      ARG  36  82.872  -5.608   6.787
  285   2HH1  ARG  36          HH22      ARG  36  83.229  -5.555   8.480
  286   1HH2  ARG  36          HH11      ARG  36  82.915  -2.108   8.695
  287   2HH2  ARG  36          HH12      ARG  36  83.265  -3.566   9.562
  288    H    GLU  37           HN       GLU  37  78.363  -3.185   2.901
  289    HA   GLU  37           HA       GLU  37  78.130  -0.353   3.824
  290   1HB   GLU  37          2HB       GLU  37  75.968  -2.144   2.685
  291   2HB   GLU  37          3HB       GLU  37  75.698  -0.535   3.350
  292   1HG   GLU  37          2HG       GLU  37  77.194   0.433   1.662
  293   2HG   GLU  37          3HG       GLU  37  77.509  -1.178   1.007
  294    H    SER  38           HN       SER  38  76.371  -0.198   5.594
  295    HA   SER  38           HA       SER  38  77.011  -2.200   7.636
  296   1HB   SER  38          2HB       SER  38  75.005   0.088   7.601
  297   2HB   SER  38          3HB       SER  38  75.288  -0.947   8.996
  298    HG   SER  38           HG       SER  38  76.942   0.259   9.419
  299    H    SER  39           HN       SER  39  75.533  -2.578   4.981
  300    HA   SER  39           HA       SER  39  74.215  -4.470   4.396
  301   1HB   SER  39          2HB       SER  39  74.124  -5.049   6.922
  302   2HB   SER  39          3HB       SER  39  72.642  -4.093   6.955
  303    HG   SER  39           HG       SER  39  71.994  -5.468   5.115
  304    H    LYS  40           HN       LYS  40  72.579  -4.086   2.969
  305    HA   LYS  40           HA       LYS  40  70.810  -2.985   1.899
  306   1HB   LYS  40          2HB       LYS  40  70.138  -2.014   4.700
  307   2HB   LYS  40          3HB       LYS  40  69.068  -1.989   3.302
  308   1HG   LYS  40          2HG       LYS  40  70.303  -4.567   4.257
  309   2HG   LYS  40          3HG       LYS  40  68.818  -3.947   4.977
  310   1HD   LYS  40          2HD       LYS  40  67.850  -3.796   2.653
  311   2HD   LYS  40          3HD       LYS  40  69.285  -4.632   2.063
  312   1HE   LYS  40          2HE       LYS  40  68.788  -6.577   3.410
  313   2HE   LYS  40          3HE       LYS  40  67.473  -5.734   4.226
  314   1HZ   LYS  40           HZ1      LYS  40  67.064  -5.560   1.461
  315   2HZ   LYS  40           HZ3      LYS  40  67.368  -7.184   1.842
  316   3HZ   LYS  40           HZ2      LYS  40  66.107  -6.351   2.621
  317    H    GLN  41           HN       GLN  41  69.779  -0.373   3.052
  318    HA   GLN  41           HA       GLN  41  71.979   1.317   1.971
  319   1HB   GLN  41          2HB       GLN  41  69.030   1.873   2.391
  320   2HB   GLN  41          3HB       GLN  41  70.186   3.047   1.761
  321   1HG   GLN  41          2HG       GLN  41  70.668   1.611  -0.151
  322   2HG   GLN  41          3HG       GLN  41  69.613   0.350   0.497
  323   1HE2  GLN  41          HE22      GLN  41  66.896   3.087   0.093
  324   2HE2  GLN  41          HE21      GLN  41  67.774   2.666   1.482
  325    H    GLY  42           HN       GLY  42  71.595   0.207   4.833
  326   1HA   GLY  42          2HA       GLY  42  70.936   2.364   6.563
  327   2HA   GLY  42          3HA       GLY  42  71.972   1.010   7.002
  328    H    CYS  43           HN       CYS  43  74.177   1.284   5.461
  329    HA   CYS  43           HA       CYS  43  75.089   4.062   5.390
  330   1HB   CYS  43          2HB       CYS  43  75.271   3.552   7.799
  331   2HB   CYS  43          3HB       CYS  43  76.275   2.148   7.422
  332    HG   CYS  43           HG       CYS  43  77.157   5.109   6.925
  333    H    TYR  44           HN       TYR  44  77.453   4.147   4.717
  334    HA   TYR  44           HA       TYR  44  78.208   1.677   3.211
  335   1HB   TYR  44          2HB       TYR  44  78.516   4.567   2.351
  336   2HB   TYR  44          3HB       TYR  44  79.210   3.195   1.490
  337    HD1  TYR  44           HD2      TYR  44  75.986   4.613   2.715
  338    HD2  TYR  44           HD1      TYR  44  77.919   1.951  -0.049
  339    HE1  TYR  44           HE2      TYR  44  73.830   4.269   1.540
  340    HE2  TYR  44           HE1      TYR  44  75.761   1.608  -1.224
  341    HH   TYR  44           HH       TYR  44  73.194   3.554  -0.965
  342    H    ALA  45           HN       ALA  45  80.473   1.166   3.234
  343    HA   ALA  45           HA       ALA  45  82.351   3.048   4.468
  344   1HB   ALA  45           HB1      ALA  45  81.600   0.474   5.887
  345   2HB   ALA  45           HB3      ALA  45  82.931   1.527   6.345
  346   3HB   ALA  45           HB2      ALA  45  81.276   2.109   6.464
  347    H    CYS  46           HN       CYS  46  84.571   2.304   4.263
  348    HA   CYS  46           HA       CYS  46  84.837   0.009   2.362
  349   1HB   CYS  46          2HB       CYS  46  86.774   2.307   2.799
  350   2HB   CYS  46          3HB       CYS  46  86.976   0.995   1.637
  351    HG   CYS  46           HG       CYS  46  84.970   1.920   0.281
  352    H    SER  47           HN       SER  47  85.825  -1.771   3.176
  353    HA   SER  47           HA       SER  47  87.074  -1.521   5.838
  354   1HB   SER  47          2HB       SER  47  85.431  -3.352   5.368
  355   2HB   SER  47          3HB       SER  47  86.559  -4.003   4.198
  356    HG   SER  47           HG       SER  47  87.349  -4.996   5.870
  357    H    VAL  48           HN       VAL  48  89.263  -1.433   6.077
  358    HA   VAL  48           HA       VAL  48  90.933  -2.359   3.775
  359    HB   VAL  48           HB       VAL  48  91.430   0.003   5.612
  360   1HG1  VAL  48          HG11      VAL  48  93.067  -1.435   3.594
  361   2HG1  VAL  48          HG13      VAL  48  93.187   0.323   3.627
  362   3HG1  VAL  48          HG12      VAL  48  93.563  -0.616   5.071
  363   1HG2  VAL  48          HG22      VAL  48  89.744  -0.143   3.413
  364   2HG2  VAL  48          HG21      VAL  48  90.455   1.333   4.066
  365   3HG2  VAL  48          HG23      VAL  48  91.246   0.488   2.734
  366    H    VAL  49           HN       VAL  49  93.187  -2.923   4.465
  367    HA   VAL  49           HA       VAL  49  93.297  -3.863   7.301
  368    HB   VAL  49           HB       VAL  49  94.470  -5.277   4.899
  369   1HG1  VAL  49          HG13      VAL  49  95.173  -5.429   7.582
  370   2HG1  VAL  49          HG12      VAL  49  94.051  -6.772   7.383
  371   3HG1  VAL  49          HG11      VAL  49  95.489  -6.669   6.369
  372   1HG2  VAL  49          HG21      VAL  49  91.814  -5.141   5.551
  373   2HG2  VAL  49          HG23      VAL  49  92.562  -6.504   4.721
  374   3HG2  VAL  49          HG22      VAL  49  92.325  -6.561   6.466
  375    H    VAL  50           HN       VAL  50  95.140  -3.207   8.379
  376    HA   VAL  50           HA       VAL  50  97.323  -2.104   6.666
  377    HB   VAL  50           HB       VAL  50  95.995  -0.336   7.851
  378   1HG1  VAL  50          HG13      VAL  50  95.545  -1.837   9.830
  379   2HG1  VAL  50          HG12      VAL  50  97.199  -1.529  10.353
  380   3HG1  VAL  50          HG11      VAL  50  96.046  -0.198  10.235
  381   1HG2  VAL  50          HG23      VAL  50  98.636  -0.410   7.424
  382   2HG2  VAL  50          HG22      VAL  50  97.877   0.930   8.279
  383   3HG2  VAL  50          HG21      VAL  50  98.667  -0.359   9.186
  384    H    ASP  51           HN       ASP  51  99.445  -2.246   7.591
  385    HA   ASP  51           HA       ASP  51 100.189  -4.746   8.554
  386   1HB   ASP  51          2HB       ASP  51 101.561  -2.067   8.885
  387   2HB   ASP  51          3HB       ASP  51 102.317  -3.599   9.328
  388    H    GLY  52           HN       GLY  52  98.749  -2.198  10.211
  389   1HA   GLY  52          2HA       GLY  52  99.685  -3.031  12.862
  390   2HA   GLY  52          3HA       GLY  52  98.546  -1.726  12.531
  391    H    GLU  53           HN       GLU  53  96.429  -2.757  11.351
  392    HA   GLU  53           HA       GLU  53  95.656  -5.368  12.441
  393   1HB   GLU  53          2HB       GLU  53  94.547  -2.829  13.668
  394   2HB   GLU  53          3HB       GLU  53  93.752  -4.391  13.818
  395   1HG   GLU  53          2HG       GLU  53  96.466  -3.579  14.890
  396   2HG   GLU  53          3HG       GLU  53  95.052  -4.099  15.800
  397    H    VAL  54           HN       VAL  54  92.911  -5.095  12.457
  398    HA   VAL  54           HA       VAL  54  92.319  -4.585   9.591
  399    HB   VAL  54           HB       VAL  54  90.669  -5.869  11.798
  400   1HG1  VAL  54          HG12      VAL  54  90.111  -5.425   8.853
  401   2HG1  VAL  54          HG11      VAL  54  89.220  -6.582   9.843
  402   3HG1  VAL  54          HG13      VAL  54  89.155  -4.862  10.225
  403   1HG2  VAL  54          HG21      VAL  54  92.293  -6.952   9.487
  404   2HG2  VAL  54          HG23      VAL  54  92.430  -7.357  11.198
  405   3HG2  VAL  54          HG22      VAL  54  91.030  -7.903  10.272
  406    H    LYS  55           HN       LYS  55  91.379  -2.643   9.036
  407    HA   LYS  55           HA       LYS  55  89.870  -1.202  11.180
  408   1HB   LYS  55          2HB       LYS  55  91.706  -0.118   9.040
  409   2HB   LYS  55          3HB       LYS  55  90.594   0.901   9.950
  410   1HG   LYS  55          2HG       LYS  55  92.486   1.071  11.273
  411   2HG   LYS  55          3HG       LYS  55  91.699  -0.312  12.026
  412   1HD   LYS  55          2HD       LYS  55  93.064  -1.830  10.612
  413   2HD   LYS  55          3HD       LYS  55  93.886  -0.422   9.936
  414   1HE   LYS  55          2HE       LYS  55  93.766  -0.946  12.915
  415   2HE   LYS  55          3HE       LYS  55  95.070  -1.577  11.908
  416   1HZ   LYS  55           HZ1      LYS  55  95.031   0.965  11.131
  417   2HZ   LYS  55           HZ3      LYS  55  94.514   1.149  12.737
  418   3HZ   LYS  55           HZ2      LYS  55  96.000   0.394  12.406
  419    H    HIS  56           HN       HIS  56  88.000  -0.069  10.549
  420    HA   HIS  56           HA       HIS  56  86.948  -0.806   7.853
  421   1HB   HIS  56          2HB       HIS  56  85.557  -0.359  10.496
  422   2HB   HIS  56          3HB       HIS  56  84.685  -0.360   8.967
  423    HD1  HIS  56           HD1      HIS  56  85.194  -2.572  11.577
  424    HD2  HIS  56           HD2      HIS  56  85.786  -2.955   7.471
  425    HE1  HIS  56           HE1      HIS  56  85.075  -5.049  11.064
  426    H    CYS  57           HN       CYS  57  87.438   1.038   6.617
  427    HA   CYS  57           HA       CYS  57  87.206   3.723   7.720
  428   1HB   CYS  57          2HB       CYS  57  88.727   3.224   5.824
  429   2HB   CYS  57          3HB       CYS  57  87.331   2.812   4.827
  430    HG   CYS  57           HG       CYS  57  86.678   5.249   4.676
  431    H    VAL  58           HN       VAL  58  85.363   4.932   7.846
  432    HA   VAL  58           HA       VAL  58  82.854   3.694   6.935
  433    HB   VAL  58           HB       VAL  58  83.307   4.829   9.212
  434   1HG1  VAL  58          HG12      VAL  58  84.293   6.884   8.165
  435   2HG1  VAL  58          HG11      VAL  58  82.690   7.291   7.545
  436   3HG1  VAL  58          HG13      VAL  58  82.979   7.235   9.285
  437   1HG2  VAL  58          HG21      VAL  58  80.918   5.035   7.447
  438   2HG2  VAL  58          HG23      VAL  58  81.074   4.308   9.047
  439   3HG2  VAL  58          HG22      VAL  58  80.909   6.057   8.885
  440    H    ILE  59           HN       ILE  59  81.525   4.455   5.347
  441    HA   ILE  59           HA       ILE  59  82.329   6.956   3.923
  442    HB   ILE  59           HB       ILE  59  81.241   4.385   2.728
  443   1HG1  ILE  59          HG12      ILE  59  83.720   4.532   3.467
  444   2HG1  ILE  59          HG11      ILE  59  83.390   4.017   1.814
  445   1HG2  ILE  59          HG21      ILE  59  82.011   7.018   1.440
  446   2HG2  ILE  59          HG23      ILE  59  81.579   5.550   0.564
  447   3HG2  ILE  59          HG22      ILE  59  80.383   6.359   1.574
  448   1HD1  ILE  59          HD11      ILE  59  84.015   6.878   2.603
  449   2HD1  ILE  59          HD13      ILE  59  85.210   5.740   1.992
  450   3HD1  ILE  59          HD12      ILE  59  83.869   6.238   0.969
  451    H    ASN  60           HN       ASN  60  80.704   8.425   4.416
  452    HA   ASN  60           HA       ASN  60  77.912   7.307   4.486
  453   1HB   ASN  60          2HB       ASN  60  79.113   9.617   6.021
  454   2HB   ASN  60          3HB       ASN  60  77.401   9.192   6.045
  455   1HD2  ASN  60          HD22      ASN  60  79.053   7.444   8.913
  456   2HD2  ASN  60          HD21      ASN  60  78.844   9.070   8.462
  457    H    LYS  61           HN       LYS  61  76.194   9.045   4.044
  458    HA   LYS  61           HA       LYS  61  77.203  10.906   1.962
  459   1HB   LYS  61          2HB       LYS  61  75.359  10.365   0.526
  460   2HB   LYS  61          3HB       LYS  61  75.982   8.815   1.097
  461   1HG   LYS  61          2HG       LYS  61  74.249   9.048   3.007
  462   2HG   LYS  61          3HG       LYS  61  73.496  10.268   1.981
  463   1HD   LYS  61          2HD       LYS  61  74.156   7.494   0.978
  464   2HD   LYS  61          3HD       LYS  61  72.598   7.902   1.706
  465   1HE   LYS  61          2HE       LYS  61  73.826   9.166  -0.759
  466   2HE   LYS  61          3HE       LYS  61  72.401   8.130  -0.705
  467   1HZ   LYS  61           HZ2      LYS  61  72.032  10.213   1.118
  468   2HZ   LYS  61           HZ1      LYS  61  72.549  10.904  -0.342
  469   3HZ   LYS  61           HZ3      LYS  61  71.173   9.913  -0.319
  470    H    THR  62           HN       THR  62  76.556  11.335   4.825
  471    HA   THR  62           HA       THR  62  73.978  12.710   4.883
  472    HB   THR  62           HB       THR  62  74.651  13.392   7.165
  473    HG1  THR  62           HG1      THR  62  76.713  13.615   7.407
  474   1HG2  THR  62          HG22      THR  62  75.230  10.493   6.498
  475   2HG2  THR  62          HG21      THR  62  74.916  11.107   8.120
  476   3HG2  THR  62          HG23      THR  62  73.652  11.184   6.890
  477    H    ALA  63           HN       ALA  63  74.326  15.108   6.047
  478    HA   ALA  63           HA       ALA  63  75.154  16.812   3.927
  479   1HB   ALA  63           HB1      ALA  63  73.633  17.366   5.927
  480   2HB   ALA  63           HB3      ALA  63  75.123  17.653   6.828
  481   3HB   ALA  63           HB2      ALA  63  74.746  18.626   5.402
  482    H    THR  64           HN       THR  64  76.956  15.419   6.595
  483    HA   THR  64           HA       THR  64  79.253  17.171   6.265
  484    HB   THR  64           HB       THR  64  80.308  15.570   7.829
  485    HG1  THR  64           HG1      THR  64  78.498  13.957   6.824
  486   1HG2  THR  64          HG21      THR  64  78.532  17.393   8.474
  487   2HG2  THR  64          HG23      THR  64  77.532  15.992   8.863
  488   3HG2  THR  64          HG22      THR  64  79.074  16.233   9.686
  489    H    GLY  65           HN       GLY  65  77.972  14.656   4.457
  490   1HA   GLY  65          2HA       GLY  65  78.890  13.687   2.498
  491   2HA   GLY  65          3HA       GLY  65  80.443  14.424   2.907
  492    H    TYR  66           HN       TYR  66  80.555  11.824   2.067
  493    HA   TYR  66           HA       TYR  66  80.215   9.908   4.127
  494   1HB   TYR  66          2HB       TYR  66  82.363   9.003   2.541
  495   2HB   TYR  66          3HB       TYR  66  80.665   8.591   2.333
  496    HD1  TYR  66           HD2      TYR  66  83.230  11.165   1.440
  497    HD2  TYR  66           HD1      TYR  66  79.452   9.366   0.474
  498    HE1  TYR  66           HE2      TYR  66  83.167  12.435  -0.690
  499    HE2  TYR  66           HE1      TYR  66  79.389  10.634  -1.653
  500    HH   TYR  66           HH       TYR  66  81.137  13.255  -2.278
  501    H    GLY  67           HN       GLY  67  81.608  12.293   5.016
  502   1HA   GLY  67          2HA       GLY  67  83.183  12.531   6.798
  503   2HA   GLY  67          3HA       GLY  67  83.832  10.935   6.393
  504    H    PHE  68           HN       PHE  68  84.294  11.286   3.644
  505    HA   PHE  68           HA       PHE  68  86.675  13.031   3.763
  506   1HB   PHE  68          2HB       PHE  68  85.692  11.031   1.716
  507   2HB   PHE  68          3HB       PHE  68  87.149  12.002   1.497
  508    HD1  PHE  68           HD2      PHE  68  89.103  11.703   2.996
  509    HD2  PHE  68           HD1      PHE  68  85.617   9.213   3.304
  510    HE1  PHE  68           HE2      PHE  68  90.388  10.075   4.359
  511    HE2  PHE  68           HE1      PHE  68  86.900   7.586   4.668
  512    HZ   PHE  68           HZ       PHE  68  89.289   8.014   5.192
  513    H    ALA  69           HN       ALA  69  83.471  13.380   2.840
  514    HA   ALA  69           HA       ALA  69  84.057  15.322   0.638
  515   1HB   ALA  69           HB2      ALA  69  81.783  13.627   1.414
  516   2HB   ALA  69           HB1      ALA  69  81.314  15.278   1.021
  517   3HB   ALA  69           HB3      ALA  69  82.186  14.304  -0.157
  518    H    GLU  70           HN       GLU  70  83.994  15.397   3.921
  519    HA   GLU  70           HA       GLU  70  82.205  17.518   4.520
  520   1HB   GLU  70          2HB       GLU  70  83.393  16.126   6.242
  521   2HB   GLU  70          3HB       GLU  70  84.874  17.013   5.876
  522   1HG   GLU  70          2HG       GLU  70  83.834  19.116   6.513
  523   2HG   GLU  70          3HG       GLU  70  82.284  18.310   6.760
  524    HA   PRO  71           HA       PRO  71  85.939  20.363   3.299
  525   1HB   PRO  71          2HB       PRO  71  87.323  18.819   1.225
  526   2HB   PRO  71          3HB       PRO  71  87.997  19.600   2.669
  527   1HG   PRO  71          2HG       PRO  71  87.862  16.928   2.410
  528   2HG   PRO  71          3HG       PRO  71  87.700  17.746   3.974
  529   1HD   PRO  71          2HD       PRO  71  85.531  16.639   2.202
  530   2HD   PRO  71          3HD       PRO  71  85.706  16.525   3.969
  531    H    TYR  72           HN       TYR  72  86.382  21.509   1.084
  532    HA   TYR  72           HA       TYR  72  83.927  21.708  -0.369
  533   1HB   TYR  72          2HB       TYR  72  86.739  22.594  -1.070
  534   2HB   TYR  72          3HB       TYR  72  85.317  23.011  -2.027
  535    HD1  TYR  72           HD2      TYR  72  83.578  24.502  -1.129
  536    HD2  TYR  72           HD1      TYR  72  87.112  23.555   1.120
  537    HE1  TYR  72           HE2      TYR  72  83.101  26.383   0.411
  538    HE2  TYR  72           HE1      TYR  72  86.638  25.438   2.660
  539    HH   TYR  72           HH       TYR  72  85.400  27.550   2.647
  540    H    ASN  73           HN       ASN  73  86.423  19.376  -0.545
  541    HA   ASN  73           HA       ASN  73  85.733  18.722  -3.364
  542   1HB   ASN  73          2HB       ASN  73  88.145  18.876  -2.710
  543   2HB   ASN  73          3HB       ASN  73  87.895  17.502  -1.631
  544   1HD2  ASN  73          HD22      ASN  73  89.004  15.769  -4.606
  545   2HD2  ASN  73          HD21      ASN  73  89.603  16.530  -3.211
  546    H    LEU  74           HN       LEU  74  83.877  17.578  -3.336
  547    HA   LEU  74           HA       LEU  74  83.606  15.279  -1.485
  548   1HB   LEU  74          2HB       LEU  74  81.558  16.795  -3.136
  549   2HB   LEU  74          3HB       LEU  74  81.186  15.386  -2.147
  550    HG   LEU  74           HG       LEU  74  82.400  16.795  -0.256
  551   1HD1  LEU  74          HD11      LEU  74  82.754  18.594  -2.208
  552   2HD1  LEU  74          HD13      LEU  74  81.148  19.097  -1.687
  553   3HD1  LEU  74          HD12      LEU  74  82.483  19.083  -0.536
  554   1HD2  LEU  74          HD23      LEU  74  79.915  16.069  -0.515
  555   2HD2  LEU  74          HD22      LEU  74  80.271  17.427   0.548
  556   3HD2  LEU  74          HD21      LEU  74  79.646  17.718  -1.075
  557    H    TYR  75           HN       TYR  75  84.861  15.812  -4.402
  558    HA   TYR  75           HA       TYR  75  85.245  14.488  -6.295
  559   1HB   TYR  75          2HB       TYR  75  84.018  12.279  -4.609
  560   2HB   TYR  75          3HB       TYR  75  85.017  12.067  -6.048
  561    HD1  TYR  75           HD2      TYR  75  84.998  13.094  -2.507
  562    HD2  TYR  75           HD1      TYR  75  87.419  12.456  -5.997
  563    HE1  TYR  75           HE2      TYR  75  87.043  13.244  -1.115
  564    HE2  TYR  75           HE1      TYR  75  89.461  12.612  -4.605
  565    HH   TYR  75           HH       TYR  75  89.271  13.394  -1.143
  566    H    SER  76           HN       SER  76  83.943  12.938  -7.884
  567    HA   SER  76           HA       SER  76  81.203  14.102  -8.047
  568   1HB   SER  76          2HB       SER  76  82.665  14.510  -9.991
  569   2HB   SER  76          3HB       SER  76  82.887  12.774 -10.192
  570    HG   SER  76           HG       SER  76  80.602  12.630 -10.473
  571    H    SER  77           HN       SER  77  82.912  10.994  -8.545
  572    HA   SER  77           HA       SER  77  80.331   9.636  -7.880
  573   1HB   SER  77          2HB       SER  77  82.421   8.788  -9.900
  574   2HB   SER  77          3HB       SER  77  81.019   7.827  -9.446
  575    HG   SER  77           HG       SER  77  79.868   9.932 -10.019
  576    H    LEU  78           HN       LEU  78  80.547   7.598  -6.777
  577    HA   LEU  78           HA       LEU  78  82.499   7.524  -4.708
  578   1HB   LEU  78          2HB       LEU  78  80.679   5.392  -5.857
  579   2HB   LEU  78          3HB       LEU  78  81.675   5.131  -4.425
  580    HG   LEU  78           HG       LEU  78  79.681   7.394  -4.697
  581   1HD1  LEU  78          HD12      LEU  78  79.121   4.668  -4.410
  582   2HD1  LEU  78          HD11      LEU  78  79.045   5.306  -2.766
  583   3HD1  LEU  78          HD13      LEU  78  78.032   6.004  -4.030
  584   1HD2  LEU  78          HD21      LEU  78  81.523   6.378  -2.553
  585   2HD2  LEU  78          HD23      LEU  78  81.177   8.041  -3.027
  586   3HD2  LEU  78          HD22      LEU  78  79.998   7.132  -2.083
  587    H    LYS  79           HN       LYS  79  82.429   6.012  -7.902
  588    HA   LYS  79           HA       LYS  79  84.532   4.146  -7.589
  589   1HB   LYS  79          2HB       LYS  79  83.647   5.800  -9.964
  590   2HB   LYS  79          3HB       LYS  79  84.884   4.547 -10.079
  591   1HG   LYS  79          2HG       LYS  79  83.347   2.846  -9.362
  592   2HG   LYS  79          3HG       LYS  79  82.124   4.049  -8.941
  593   1HD   LYS  79          2HD       LYS  79  81.911   4.693 -11.293
  594   2HD   LYS  79          3HD       LYS  79  83.180   3.553 -11.737
  595   1HE   LYS  79          2HE       LYS  79  80.607   2.746 -10.362
  596   2HE   LYS  79          3HE       LYS  79  80.849   2.674 -12.105
  597   1HZ   LYS  79           HZ2      LYS  79  82.997   1.462 -10.669
  598   2HZ   LYS  79           HZ1      LYS  79  81.506   0.732 -10.303
  599   3HZ   LYS  79           HZ3      LYS  79  82.034   0.822 -11.913
  600    H    GLU  80           HN       GLU  80  84.655   7.605  -8.444
  601    HA   GLU  80           HA       GLU  80  87.516   7.693  -8.730
  602   1HB   GLU  80          2HB       GLU  80  85.547   9.886  -8.013
  603   2HB   GLU  80          3HB       GLU  80  87.225  10.148  -8.496
  604   1HG   GLU  80          2HG       GLU  80  86.807   9.168 -10.672
  605   2HG   GLU  80          3HG       GLU  80  85.175   8.700 -10.192
  606    H    LEU  81           HN       LEU  81  85.323   7.918  -5.986
  607    HA   LEU  81           HA       LEU  81  87.136   9.026  -4.083
  608   1HB   LEU  81          2HB       LEU  81  84.693   8.730  -3.675
  609   2HB   LEU  81          3HB       LEU  81  84.937   6.989  -3.582
  610    HG   LEU  81           HG       LEU  81  86.560   8.834  -1.837
  611   1HD1  LEU  81          HD13      LEU  81  83.789   7.774  -1.199
  612   2HD1  LEU  81          HD12      LEU  81  84.854   8.611  -0.068
  613   3HD1  LEU  81          HD11      LEU  81  84.205   9.469  -1.463
  614   1HD2  LEU  81          HD21      LEU  81  85.853   5.933  -1.953
  615   2HD2  LEU  81          HD23      LEU  81  87.377   6.704  -1.511
  616   3HD2  LEU  81          HD22      LEU  81  86.051   6.650  -0.354
  617    H    VAL  82           HN       VAL  82  86.568   5.678  -5.129
  618    HA   VAL  82           HA       VAL  82  88.374   4.452  -3.255
  619    HB   VAL  82           HB       VAL  82  87.432   3.547  -5.993
  620   1HG1  VAL  82          HG11      VAL  82  89.024   2.159  -3.828
  621   2HG1  VAL  82          HG13      VAL  82  88.100   1.260  -5.034
  622   3HG1  VAL  82          HG12      VAL  82  89.419   2.316  -5.541
  623   1HG2  VAL  82          HG22      VAL  82  86.370   3.375  -3.213
  624   2HG2  VAL  82          HG21      VAL  82  85.502   3.478  -4.742
  625   3HG2  VAL  82          HG23      VAL  82  86.191   1.942  -4.222
  626    H    LEU  83           HN       LEU  83  88.775   5.567  -6.613
  627    HA   LEU  83           HA       LEU  83  91.511   4.736  -6.876
  628   1HB   LEU  83          2HB       LEU  83  89.875   6.840  -8.309
  629   2HB   LEU  83          3HB       LEU  83  91.519   6.402  -8.783
  630    HG   LEU  83           HG       LEU  83  89.211   4.447  -8.574
  631   1HD1  LEU  83          HD12      LEU  83  90.280   6.133 -10.795
  632   2HD1  LEU  83          HD11      LEU  83  89.795   4.481 -11.184
  633   3HD1  LEU  83          HD13      LEU  83  88.627   5.603 -10.484
  634   1HD2  LEU  83          HD23      LEU  83  92.125   4.254  -9.272
  635   2HD2  LEU  83          HD22      LEU  83  91.134   3.155  -8.314
  636   3HD2  LEU  83          HD21      LEU  83  90.982   3.176 -10.072
  637    H    HIS  84           HN       HIS  84  90.044   7.847  -5.954
  638    HA   HIS  84           HA       HIS  84  92.458   9.331  -5.800
  639   1HB   HIS  84          2HB       HIS  84  90.165  10.305  -5.687
  640   2HB   HIS  84          3HB       HIS  84  89.998   9.640  -4.062
  641    HD1  HIS  84           HD1      HIS  84  92.424  11.898  -5.961
  642    HD2  HIS  84           HD2      HIS  84  90.924  11.347  -2.113
  643    HE1  HIS  84           HE1      HIS  84  93.389  13.763  -4.543
  644    H    TYR  85           HN       TYR  85  90.844   7.299  -3.354
  645    HA   TYR  85           HA       TYR  85  92.694   7.961  -1.246
  646   1HB   TYR  85          2HB       TYR  85  90.953   5.510  -1.639
  647   2HB   TYR  85          3HB       TYR  85  91.833   5.889  -0.161
  648    HD1  TYR  85           HD2      TYR  85  90.832   8.970  -1.603
  649    HD2  TYR  85           HD1      TYR  85  89.281   5.615   0.602
  650    HE1  TYR  85           HE2      TYR  85  88.950  10.356  -0.813
  651    HE2  TYR  85           HE1      TYR  85  87.396   7.019   1.388
  652    HH   TYR  85           HH       TYR  85  86.974  10.345   0.234
  653    H    GLN  86           HN       GLN  86  92.837   5.818  -3.976
  654    HA   GLN  86           HA       GLN  86  94.870   4.016  -3.077
  655   1HB   GLN  86          2HB       GLN  86  93.613   3.677  -5.183
  656   2HB   GLN  86          3HB       GLN  86  94.392   5.100  -5.873
  657   1HG   GLN  86          2HG       GLN  86  96.543   4.078  -5.819
  658   2HG   GLN  86          3HG       GLN  86  95.974   2.764  -4.794
  659   1HE2  GLN  86          HE22      GLN  86  95.798   2.287  -8.748
  660   2HE2  GLN  86          HE21      GLN  86  96.747   3.461  -7.972
  661    H    HIS  87           HN       HIS  87  95.024   7.270  -4.468
  662    HA   HIS  87           HA       HIS  87  97.979   7.215  -4.419
  663   1HB   HIS  87          2HB       HIS  87  96.049   9.416  -5.215
  664   2HB   HIS  87          3HB       HIS  87  97.797   9.453  -5.439
  665    HD1  HIS  87           HD1      HIS  87  98.767   7.391  -6.963
  666    HD2  HIS  87           HD2      HIS  87  94.700   8.225  -7.324
  667    HE1  HIS  87           HE1      HIS  87  97.996   6.283  -9.107
  668    H    THR  88           HN       THR  88  95.362   8.154  -2.409
  669    HA   THR  88           HA       THR  88  97.101  10.004  -0.844
  670    HB   THR  88           HB       THR  88  94.147   9.393  -0.498
  671    HG1  THR  88           HG1      THR  88  95.569  11.267  -2.025
  672   1HG2  THR  88          HG23      THR  88  95.899  10.555   1.272
  673   2HG2  THR  88          HG22      THR  88  95.261  11.957   0.411
  674   3HG2  THR  88          HG21      THR  88  94.161  10.851   1.233
  675    H    SER  89           HN       SER  89  97.990   9.322   1.040
  676    HA   SER  89           HA       SER  89  97.543   6.559   1.894
  677   1HB   SER  89          2HB       SER  89  99.800   7.592   1.925
  678   2HB   SER  89          3HB       SER  89  99.238   8.738   3.138
  679    HG   SER  89           HG       SER  89  99.724   7.239   4.524
  680    H    LEU  90           HN       LEU  90  96.269   5.912   3.554
  681    HA   LEU  90           HA       LEU  90  94.445   7.767   4.803
  682   1HB   LEU  90          2HB       LEU  90  95.107   4.856   5.306
  683   2HB   LEU  90          3HB       LEU  90  93.871   5.723   6.222
  684    HG   LEU  90           HG       LEU  90  93.895   5.613   3.198
  685   1HD1  LEU  90          HD13      LEU  90  92.828   3.687   5.221
  686   2HD1  LEU  90          HD12      LEU  90  91.835   4.026   3.800
  687   3HD1  LEU  90          HD11      LEU  90  93.463   3.379   3.602
  688   1HD2  LEU  90          HD22      LEU  90  92.399   7.064   5.163
  689   2HD2  LEU  90          HD21      LEU  90  92.216   7.089   3.405
  690   3HD2  LEU  90          HD23      LEU  90  91.312   5.919   4.370
  691    H    VAL  91           HN       VAL  91  97.657   6.910   5.475
  692    HA   VAL  91           HA       VAL  91  98.115   6.799   8.177
  693    HB   VAL  91           HB       VAL  91  99.854   7.127   6.379
  694   1HG1  VAL  91          HG11      VAL  91  98.461   9.364   5.744
  695   2HG1  VAL  91          HG13      VAL  91  99.700  10.070   6.782
  696   3HG1  VAL  91          HG12      VAL  91 100.166   9.153   5.349
  697   1HG2  VAL  91          HG23      VAL  91  99.841   8.605   8.997
  698   2HG2  VAL  91          HG22      VAL  91 100.770   7.179   8.527
  699   3HG2  VAL  91          HG21      VAL  91 101.230   8.770   7.921
  700    H    GLN  92           HN       GLN  92  96.883   9.598   6.430
  701    HA   GLN  92           HA       GLN  92  97.130  11.498   8.551
  702   1HB   GLN  92          2HB       GLN  92  96.718  12.081   6.172
  703   2HB   GLN  92          3HB       GLN  92  95.089  11.414   6.315
  704   1HG   GLN  92          2HG       GLN  92  94.535  13.038   8.047
  705   2HG   GLN  92          3HG       GLN  92  96.185  13.667   8.020
  706   1HE2  GLN  92          HE22      GLN  92  95.736  15.197   4.746
  707   2HE2  GLN  92          HE21      GLN  92  96.890  14.309   5.617
  708    H    HIS  93           HN       HIS  93  94.279   9.543   7.528
  709    HA   HIS  93           HA       HIS  93  92.498  10.490   9.495
  710   1HB   HIS  93          2HB       HIS  93  91.904   8.856   7.688
  711   2HB   HIS  93          3HB       HIS  93  92.780   7.608   8.570
  712    HD1  HIS  93           HD1      HIS  93  89.914  10.053   9.136
  713    HD2  HIS  93           HD2      HIS  93  91.225   6.331  10.480
  714    HE1  HIS  93           HE1      HIS  93  88.124   9.188  10.708
  715    H    ASN  94           HN       ASN  94  94.882   7.893   9.642
  716    HA   ASN  94           HA       ASN  94  94.982   8.229  12.608
  717   1HB   ASN  94          2HB       ASN  94  93.916   6.032  11.804
  718   2HB   ASN  94          3HB       ASN  94  95.502   5.633  11.145
  719   1HD2  ASN  94          HD22      ASN  94  94.992   5.721  15.212
  720   2HD2  ASN  94          HD21      ASN  94  93.888   6.533  14.213
  721    H    ASP  95           HN       ASP  95  96.944   9.256  12.900
  722    HA   ASP  95           HA       ASP  95  98.999   9.653  11.167
  723   1HB   ASP  95          2HB       ASP  95  99.215   8.966  14.107
  724   2HB   ASP  95          3HB       ASP  95 100.597   9.503  13.153
  725    H    SER  96           HN       SER  96  98.162   6.570  12.539
  726    HA   SER  96           HA       SER  96 100.608   5.444  11.278
  727   1HB   SER  96          2HB       SER  96  98.791   4.250  13.387
  728   2HB   SER  96          3HB       SER  96 100.174   3.428  12.676
  729    HG   SER  96           HG       SER  96 100.309   4.842  14.756
  730    H    LEU  97           HN       LEU  97  98.047   6.191   9.831
  731    HA   LEU  97           HA       LEU  97  97.168   3.441   9.036
  732   1HB   LEU  97          2HB       LEU  97  95.898   6.075   9.029
  733   2HB   LEU  97          3HB       LEU  97  95.768   5.280   7.464
  734    HG   LEU  97           HG       LEU  97  95.096   3.840  10.033
  735   1HD1  LEU  97          HD12      LEU  97  93.726   5.968   9.655
  736   2HD1  LEU  97          HD11      LEU  97  93.118   5.205   8.190
  737   3HD1  LEU  97          HD13      LEU  97  92.800   4.472   9.760
  738   1HD2  LEU  97          HD23      LEU  97  94.396   3.434   7.108
  739   2HD2  LEU  97          HD22      LEU  97  95.479   2.430   8.077
  740   3HD2  LEU  97          HD21      LEU  97  93.753   2.463   8.435
  741    H    ASN  98           HN       ASN  98  99.561   3.409   8.188
  742    HA   ASN  98           HA       ASN  98 100.019   4.933   5.739
  743   1HB   ASN  98          2HB       ASN  98 101.824   4.251   7.323
  744   2HB   ASN  98          3HB       ASN  98 101.550   2.570   6.854
  745   1HD2  ASN  98          HD21      ASN  98 100.953   4.621   4.218
  746   2HD2  ASN  98          HD22      ASN  98 102.449   4.464   3.440
  747    H    VAL  99           HN       VAL  99  97.973   4.122   4.719
  748    HA   VAL  99           HA       VAL  99  98.581   1.767   3.051
  749    HB   VAL  99           HB       VAL  99  96.116   1.934   4.805
  750   1HG1  VAL  99          HG13      VAL  99  96.897   0.189   2.493
  751   2HG1  VAL  99          HG12      VAL  99  95.883  -0.466   3.776
  752   3HG1  VAL  99          HG11      VAL  99  95.340   0.930   2.851
  753   1HG2  VAL  99          HG23      VAL  99  98.471   0.024   4.780
  754   2HG2  VAL  99          HG22      VAL  99  98.084   1.193   6.043
  755   3HG2  VAL  99          HG21      VAL  99  97.017  -0.177   5.758
  756    H    THR 100           HN       THR 100  97.248   1.694   1.163
  757    HA   THR 100           HA       THR 100  95.463   4.047   0.734
  758    HB   THR 100           HB       THR 100  96.420   4.386  -1.491
  759    HG1  THR 100           HG1      THR 100  98.201   2.305  -0.758
  760   1HG2  THR 100          HG22      THR 100  98.173   4.454   0.916
  761   2HG2  THR 100          HG21      THR 100  98.941   4.720  -0.644
  762   3HG2  THR 100          HG23      THR 100  97.629   5.772  -0.119
  763    H    LEU 101           HN       LEU 101  93.835   3.610  -0.987
  764    HA   LEU 101           HA       LEU 101  93.022   0.798  -0.958
  765   1HB   LEU 101          2HB       LEU 101  91.897   3.075  -2.624
  766   2HB   LEU 101          3HB       LEU 101  91.125   1.522  -2.304
  767    HG   LEU 101           HG       LEU 101  91.632   3.788  -0.396
  768   1HD1  LEU 101          HD12      LEU 101  89.306   2.435  -1.604
  769   2HD1  LEU 101          HD11      LEU 101  89.156   2.751   0.121
  770   3HD1  LEU 101          HD13      LEU 101  89.458   4.079  -0.996
  771   1HD2  LEU 101          HD23      LEU 101  91.188   0.878   0.241
  772   2HD2  LEU 101          HD22      LEU 101  92.470   1.932   0.832
  773   3HD2  LEU 101          HD21      LEU 101  90.813   2.161   1.387
  774    H    ALA 102           HN       ALA 102  95.198   0.182  -1.977
  775    HA   ALA 102           HA       ALA 102  95.240   0.731  -4.894
  776   1HB   ALA 102           HB3      ALA 102  97.298   1.149  -3.583
  777   2HB   ALA 102           HB2      ALA 102  97.344  -0.558  -3.143
  778   3HB   ALA 102           HB1      ALA 102  97.541  -0.079  -4.827
  779    H    TYR 103           HN       TYR 103  95.004  -2.037  -2.643
  780    HA   TYR 103           HA       TYR 103  94.807  -3.752  -5.082
  781   1HB   TYR 103          2HB       TYR 103  95.561  -4.482  -2.252
  782   2HB   TYR 103          3HB       TYR 103  95.381  -5.638  -3.573
  783    HD1  TYR 103           HD1      TYR 103  96.911  -5.582  -5.520
  784    HD2  TYR 103           HD2      TYR 103  97.444  -2.981  -2.143
  785    HE1  TYR 103           HE1      TYR 103  99.217  -5.073  -6.278
  786    HE2  TYR 103           HE2      TYR 103  99.749  -2.472  -2.900
  787    HH   TYR 103           HH       TYR 103 101.373  -4.288  -5.195
  788    HA   PRO 104           HA       PRO 104  90.434  -3.999  -3.821
  789   1HB   PRO 104          2HB       PRO 104  90.295  -5.782  -6.165
  790   2HB   PRO 104          3HB       PRO 104  89.397  -4.297  -5.825
  791   1HG   PRO 104          2HG       PRO 104  91.354  -4.482  -7.689
  792   2HG   PRO 104          3HG       PRO 104  90.917  -2.981  -6.861
  793   1HD   PRO 104          2HD       PRO 104  93.304  -4.704  -6.489
  794   2HD   PRO 104          3HD       PRO 104  93.094  -2.969  -6.172
  795    H    VAL 105           HN       VAL 105  89.298  -5.756  -2.814
  796    HA   VAL 105           HA       VAL 105  90.929  -7.941  -1.875
  797    HB   VAL 105           HB       VAL 105  88.904  -6.925  -0.713
  798   1HG1  VAL 105          HG11      VAL 105  87.448  -7.063  -2.766
  799   2HG1  VAL 105          HG13      VAL 105  87.417  -8.812  -2.552
  800   3HG1  VAL 105          HG12      VAL 105  86.714  -7.765  -1.322
  801   1HG2  VAL 105          HG21      VAL 105  90.011  -9.441  -0.554
  802   2HG2  VAL 105          HG23      VAL 105  88.824  -8.785   0.573
  803   3HG2  VAL 105          HG22      VAL 105  88.298  -9.801  -0.769
  804    H    TYR 106           HN       TYR 106  88.575  -7.577  -4.481
  805    HA   TYR 106           HA       TYR 106  89.060 -10.414  -5.262
  806   1HB   TYR 106          2HB       TYR 106  86.779  -8.523  -5.777
  807   2HB   TYR 106          3HB       TYR 106  87.022  -9.933  -6.800
  808    HD1  TYR 106           HD1      TYR 106  87.481 -12.196  -5.451
  809    HD2  TYR 106           HD2      TYR 106  85.437  -8.761  -3.873
  810    HE1  TYR 106           HE1      TYR 106  86.397 -13.627  -3.741
  811    HE2  TYR 106           HE2      TYR 106  84.352 -10.197  -2.164
  812    HH   TYR 106           HH       TYR 106  84.112 -13.406  -2.336
  813    H    ALA 107           HN       ALA 107  91.065  -8.432  -5.830
  814    HA   ALA 107           HA       ALA 107  90.723  -7.662  -8.652
  815   1HB   ALA 107           HB2      ALA 107  92.238  -6.624  -6.601
  816   2HB   ALA 107           HB1      ALA 107  93.439  -7.527  -7.518
  817   3HB   ALA 107           HB3      ALA 107  92.489  -6.271  -8.310
  818    H    GLN 108           HN       GLN 108  91.049  -9.132 -10.233
  819    HA   GLN 108           HA       GLN 108  91.820 -11.058 -11.339
  820   1HB   GLN 108          2HB       GLN 108  94.356 -10.184  -9.916
  821   2HB   GLN 108          3HB       GLN 108  94.293 -11.360 -11.233
  822   1HG   GLN 108          2HG       GLN 108  93.090  -8.620 -11.576
  823   2HG   GLN 108          3HG       GLN 108  94.820  -8.875 -11.809
  824   1HE2  GLN 108          HE22      GLN 108  94.209  -9.883 -15.117
  825   2HE2  GLN 108          HE21      GLN 108  95.124  -8.942 -14.040
  826    H    GLN 109           HN       GLN 109  90.459 -11.745  -8.992
  827    HA   GLN 109           HA       GLN 109  92.221 -13.795  -7.734
  828   1HB   GLN 109          2HB       GLN 109  89.561 -12.647  -6.858
  829   2HB   GLN 109          3HB       GLN 109  90.386 -13.969  -6.032
  830   1HG   GLN 109          2HG       GLN 109  92.432 -12.334  -6.025
  831   2HG   GLN 109          3HG       GLN 109  91.203 -11.090  -6.268
  832   1HE2  GLN 109          HE22      GLN 109  91.769 -12.365  -2.574
  833   2HE2  GLN 109          HE21      GLN 109  92.911 -12.444  -3.828
  834    H    ARG 110           HN       ARG 110  91.840 -15.929  -8.031
  835    HA   ARG 110           HA       ARG 110  90.204 -16.849 -10.171
  836   1HB   ARG 110          2HB       ARG 110  91.464 -18.299  -7.828
  837   2HB   ARG 110          3HB       ARG 110  90.643 -19.129  -9.154
  838   1HG   ARG 110          2HG       ARG 110  92.186 -18.151 -10.775
  839   2HG   ARG 110          3HG       ARG 110  92.966 -17.209  -9.504
  840   1HD   ARG 110          2HD       ARG 110  93.644 -19.299  -8.376
  841   2HD   ARG 110          3HD       ARG 110  92.887 -20.236  -9.665
  842    HE   ARG 110           HE       ARG 110  94.649 -18.584 -11.014
  843   1HH1  ARG 110          HH21      ARG 110  94.795 -20.782  -8.370
  844   2HH1  ARG 110          HH22      ARG 110  96.442 -21.233  -8.656
  845   1HH2  ARG 110          HH11      ARG 110  96.811 -19.150 -11.405
  846   2HH2  ARG 110          HH12      ARG 110  97.586 -20.306 -10.370
  847    H    ARG 111           HN       ARG 111  89.563 -16.626  -6.681
  848    HA   ARG 111           HA       ARG 111  86.880 -17.831  -7.131
  849   1HB   ARG 111          2HB       ARG 111  88.198 -18.633  -5.182
  850   2HB   ARG 111          3HB       ARG 111  88.213 -16.990  -4.537
  851   1HG   ARG 111          2HG       ARG 111  86.365 -17.834  -3.417
  852   2HG   ARG 111          3HG       ARG 111  85.582 -17.203  -4.866
  853   1HD   ARG 111          2HD       ARG 111  86.541 -20.063  -4.606
  854   2HD   ARG 111          3HD       ARG 111  84.893 -19.553  -4.251
  855    HE   ARG 111           HE       ARG 111  85.401 -18.578  -6.813
  856   1HH1  ARG 111          HH21      ARG 111  85.495 -21.601  -5.168
  857   2HH1  ARG 111          HH22      ARG 111  85.127 -22.535  -6.582
  858   1HH2  ARG 111          HH11      ARG 111  84.911 -19.771  -8.668
  859   2HH2  ARG 111          HH12      ARG 111  84.797 -21.497  -8.565

  No H/Q in entry =         859