*HEADER    TRANSCRIPTION                           01-MAR-16   5IIV              
*TITLE     GCN4P PH 1.5                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENERAL CONTROL PROTEIN GCN4;                              
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: UNP RESIDUES 250-280;                                      
*COMPND   5 SYNONYM: AMINO ACID BIOSYNTHESIS REGULATORY PROTEIN;                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 ORGANISM_TAXID: 4932;                                                
*SOURCE   5 GENE: GCN4, AAS3, ARG9, YEL009C;                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    SUPERCOIL PARAMETERS, LEUCINE ZIPPER, SALT BRIDGE, CLOSELY RELATED    
*KEYWDS   2 NMR STRUCTURES, CONFORMATIONAL TRANSITION, ELECTROSTATICS, KNOBS-    
*KEYWDS   3 INTO-HOLES, CANONICAL ALPHA HELIX, TRANSCRIPTION                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.R.BRADY,A.R.KAPLAN,A.T.ALEXANDRESCU                                 
*REVDAT   1   15-MAR-17 5IIV    0                                                
# Restraints file 1: 15_dihed_chi.tbl
restraints dihedral reset
set message=on echo=on end

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 ASSIGN  (segid "   B" and resid 13   and name N   ) (segid "   B" and resid 13   and name CA  )
         (segid "   B" and resid 13   and name C   ) (segid "   B" and resid 14   and name N   )  1.00 -42.789 35.00 2

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 ASSIGN  (segid "   B" and resid 14   and name N   ) (segid "   B" and resid 14   and name CA  )
         (segid "   B" and resid 14   and name C   ) (segid "   B" and resid 15   and name N   )  1.00 -40.026 35.00 2

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 ASSIGN  (segid "   B" and resid 15   and name N   ) (segid "   B" and resid 15   and name CA  )
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! ASSIGN  (segid "   B" and resid 15   and name C   ) (segid "   B" and resid 16   and name N   )
!         (segid "   B" and resid 16   and name CA  ) (segid "   B" and resid 16   and name C   )  1.00 -68.146 35.00 2

 ASSIGN  (segid "   B" and resid 16   and name N   ) (segid "   B" and resid 16   and name CA  )
         (segid "   B" and resid 16   and name C   ) (segid "   B" and resid 17   and name N   )  1.00 -37.551 35.00 2

 ASSIGN  (segid "   B" and resid 16   and name C   ) (segid "   B" and resid 17   and name N   )
         (segid "   B" and resid 17   and name CA  ) (segid "   B" and resid 17   and name C   )  1.00 -66.343 35.00 2

 ASSIGN  (segid "   B" and resid 17   and name N   ) (segid "   B" and resid 17   and name CA  )
         (segid "   B" and resid 17   and name C   ) (segid "   B" and resid 18   and name N   )  1.00 -38.580 35.00 2

 ASSIGN  (segid "   B" and resid 17   and name C   ) (segid "   B" and resid 18   and name N   )
         (segid "   B" and resid 18   and name CA  ) (segid "   B" and resid 18   and name C   )  1.00 -66.066 35.00 2

 ASSIGN  (segid "   B" and resid 18   and name N   ) (segid "   B" and resid 18   and name CA  )
         (segid "   B" and resid 18   and name C   ) (segid "   B" and resid 19   and name N   )  1.00 -38.193 35.00 2

 ASSIGN  (segid "   B" and resid 18   and name C   ) (segid "   B" and resid 19   and name N   )
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 ASSIGN  (segid "   B" and resid 19   and name N   ) (segid "   B" and resid 19   and name CA  )
         (segid "   B" and resid 19   and name C   ) (segid "   B" and resid 20   and name N   )  1.00 -36.607 35.00 2

 ASSIGN  (segid "   B" and resid 19   and name C   ) (segid "   B" and resid 20   and name N   )
         (segid "   B" and resid 20   and name CA  ) (segid "   B" and resid 20   and name C   )  1.00 -66.163 35.00 2

 ASSIGN  (segid "   B" and resid 20   and name N   ) (segid "   B" and resid 20   and name CA  )
         (segid "   B" and resid 20   and name C   ) (segid "   B" and resid 21   and name N   )  1.00 -39.242 35.00 2

 ASSIGN  (segid "   B" and resid 20   and name C   ) (segid "   B" and resid 21   and name N   )
         (segid "   B" and resid 21   and name CA  ) (segid "   B" and resid 21   and name C   )  1.00 -66.319 35.00 2

 ASSIGN  (segid "   B" and resid 21   and name N   ) (segid "   B" and resid 21   and name CA  )
         (segid "   B" and resid 21   and name C   ) (segid "   B" and resid 22   and name N   )  1.00 -36.866 35.00 2

 ASSIGN  (segid "   B" and resid 21   and name C   ) (segid "   B" and resid 22   and name N   )
         (segid "   B" and resid 22   and name CA  ) (segid "   B" and resid 22   and name C   )  1.00 -69.109 35.00 2

 ASSIGN  (segid "   B" and resid 22   and name N   ) (segid "   B" and resid 22   and name CA  )
         (segid "   B" and resid 22   and name C   ) (segid "   B" and resid 23   and name N   )  1.00 -37.253 35.00 2

 ASSIGN  (segid "   B" and resid 22   and name C   ) (segid "   B" and resid 23   and name N   )
         (segid "   B" and resid 23   and name CA  ) (segid "   B" and resid 23   and name C   )  1.00 -68.000 35.00 2

 ASSIGN  (segid "   B" and resid 23   and name N   ) (segid "   B" and resid 23   and name CA  )
         (segid "   B" and resid 23   and name C   ) (segid "   B" and resid 24   and name N   )  1.00 -37.496 35.00 2

 ASSIGN  (segid "   B" and resid 23   and name C   ) (segid "   B" and resid 24   and name N   )
         (segid "   B" and resid 24   and name CA  ) (segid "   B" and resid 24   and name C   )  1.00 -63.459 35.00 2

 ASSIGN  (segid "   B" and resid 24   and name N   ) (segid "   B" and resid 24   and name CA  )
         (segid "   B" and resid 24   and name C   ) (segid "   B" and resid 25   and name N   )  1.00 -42.425 35.00 2

 ASSIGN  (segid "   B" and resid 24   and name C   ) (segid "   B" and resid 25   and name N   )
         (segid "   B" and resid 25   and name CA  ) (segid "   B" and resid 25   and name C   )  1.00 -65.194 35.00 2

 ASSIGN  (segid "   B" and resid 25   and name N   ) (segid "   B" and resid 25   and name CA  )
         (segid "   B" and resid 25   and name C   ) (segid "   B" and resid 26   and name N   )  1.00 -39.270 35.00 2

 ASSIGN  (segid "   B" and resid 25   and name C   ) (segid "   B" and resid 26   and name N   )
         (segid "   B" and resid 26   and name CA  ) (segid "   B" and resid 26   and name C   )  1.00 -66.773 35.00 2

 ASSIGN  (segid "   B" and resid 26   and name N   ) (segid "   B" and resid 26   and name CA  )
         (segid "   B" and resid 26   and name C   ) (segid "   B" and resid 27   and name N   )  1.00 -41.048 35.00 2

 ASSIGN  (segid "   B" and resid 26   and name C   ) (segid "   B" and resid 27   and name N   )
         (segid "   B" and resid 27   and name CA  ) (segid "   B" and resid 27   and name C   )  1.00 -66.028 35.00 2

 ASSIGN  (segid "   B" and resid 27   and name N   ) (segid "   B" and resid 27   and name CA  )
         (segid "   B" and resid 27   and name C   ) (segid "   B" and resid 28   and name N   )  1.00 -39.056 35.00 2

 ASSIGN  (segid "   B" and resid 27   and name C   ) (segid "   B" and resid 28   and name N   )
         (segid "   B" and resid 28   and name CA  ) (segid "   B" and resid 28   and name C   )  1.00 -63.496 35.00 2

! ASSIGN  (segid "   B" and resid 28   and name N   ) (segid "   B" and resid 28   and name CA  )
!         (segid "   B" and resid 28   and name C   ) (segid "   B" and resid 29   and name N   )  1.00 -36.998 35.00 2

 ASSIGN  (segid "   B" and resid 28   and name C   ) (segid "   B" and resid 29   and name N   )
         (segid "   B" and resid 29   and name CA  ) (segid "   B" and resid 29   and name C   )  1.00 -68.838 35.00 2

 ASSIGN  (segid "   B" and resid 29   and name N   ) (segid "   B" and resid 29   and name CA  )
         (segid "   B" and resid 29   and name C   ) (segid "   B" and resid 30   and name N   )  1.00 -32.033 35.00 2

 ASSIGN  (segid "   B" and resid 29   and name C   ) (segid "   B" and resid 30   and name N   )
         (segid "   B" and resid 30   and name CA  ) (segid "   B" and resid 30   and name C   )  1.00 -75.233 35.00 2

 ASSIGN  (segid "   B" and resid 30   and name N   ) (segid "   B" and resid 30   and name CA  )
         (segid "   B" and resid 30   and name C   ) (segid "   B" and resid 31   and name N   )  1.00 -28.953 35.00 2

 ASSIGN  (segid "   B" and resid 30   and name C   ) (segid "   B" and resid 31   and name N   )
         (segid "   B" and resid 31   and name CA  ) (segid "   B" and resid 31   and name C   )  1.00 -91.643 35.00 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name CB  ) (segid "   A" and resid 5    and name CG  )  1.00 -63.000 35.00 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name CB  ) (segid "   A" and resid 7    and name CG1 )  1.00 -66.900 35.00 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name CB  ) (segid "   A" and resid 8    and name CG  )  1.00 -70.700 35.00 2

! ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
!         (segid "   A" and resid 10   and name CB  ) (segid "   A" and resid 10   and name CG1 )  1.00 175.000 35.00 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name CB  ) (segid "   A" and resid 11   and name CG1 )  1.00 -68.600 35.00 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name CB  ) (segid "   A" and resid 12   and name CG1 )  1.00 -67.400 35.00 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name CB  ) (segid "   A" and resid 13   and name CG  )  1.00 -73.400 35.00 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )  
         (segid "   A" and resid 17   and name CB  ) (segid "   A" and resid 17   and name CG  )  1.00 -76.600 35.00 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name CB  ) (segid "   A" and resid 19   and name CG  )  1.00 -69.100 35.00 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name CB  ) (segid "   A" and resid 21   and name CG1 )  1.00 -62.600 35.00 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )  
         (segid "   A" and resid 22   and name CB  ) (segid "   A" and resid 22   and name CG  )  1.00 -70.800 35.00 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )  
         (segid "   A" and resid 24   and name CB  ) (segid "   A" and resid 24   and name CG1 )  1.00 174.700 35.00 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  ) 
         (segid "   A" and resid 30   and name CB  ) (segid "   A" and resid 30   and name CG  )  1.00 -65.500 35.00 2

 ASSIGN  (segid "   B" and resid 5    and name N   ) (segid "   B" and resid 5    and name CA  )
         (segid "   B" and resid 5    and name CB  ) (segid "   B" and resid 5    and name CG  )  1.00 -63.000 35.00 2

 ASSIGN  (segid "   B" and resid 7    and name N   ) (segid "   B" and resid 7    and name CA  )
         (segid "   B" and resid 7    and name CB  ) (segid "   B" and resid 7    and name CG1 )  1.00 -66.900 35.00 2

 ASSIGN  (segid "   B" and resid 8    and name N   ) (segid "   B" and resid 8    and name CA  )
         (segid "   B" and resid 8    and name CB  ) (segid "   B" and resid 8    and name CG  )  1.00 -70.700 35.00 2

! ASSIGN  (segid "   B" and resid 10   and name N   ) (segid "   B" and resid 10   and name CA  )
!         (segid "   B" and resid 10   and name CB  ) (segid "   B" and resid 10   and name CG1 )  1.00 175.000 35.00 2

 ASSIGN  (segid "   B" and resid 11   and name N   ) (segid "   B" and resid 11   and name CA  )
         (segid "   B" and resid 11   and name CB  ) (segid "   B" and resid 11   and name CG1 )  1.00 -68.600 35.00 2

 ASSIGN  (segid "   B" and resid 12   and name N   ) (segid "   B" and resid 12   and name CA  )
         (segid "   B" and resid 12   and name CB  ) (segid "   B" and resid 12   and name CG1 )  1.00 -67.400 35.00 2

 ASSIGN  (segid "   B" and resid 13   and name N   ) (segid "   B" and resid 13   and name CA  )
         (segid "   B" and resid 13   and name CB  ) (segid "   B" and resid 13   and name CG  )  1.00 -73.400 35.00 2

 ASSIGN  (segid "   B" and resid 17   and name N   ) (segid "   B" and resid 17   and name CA  )  
         (segid "   B" and resid 17   and name CB  ) (segid "   B" and resid 17   and name CG  )  1.00 -76.600 35.00 2

 ASSIGN  (segid "   B" and resid 19   and name N   ) (segid "   B" and resid 19   and name CA  )
         (segid "   B" and resid 19   and name CB  ) (segid "   B" and resid 19   and name CG  )  1.00 -69.100 35.00 2

 ASSIGN  (segid "   B" and resid 21   and name N   ) (segid "   B" and resid 21   and name CA  )
         (segid "   B" and resid 21   and name CB  ) (segid "   B" and resid 21   and name CG1 )  1.00 -62.600 35.00 2

 ASSIGN  (segid "   B" and resid 22   and name N   ) (segid "   B" and resid 22   and name CA  )  
         (segid "   B" and resid 22   and name CB  ) (segid "   B" and resid 22   and name CG  )  1.00 -70.800 35.00 2

 ASSIGN  (segid "   B" and resid 24   and name N   ) (segid "   B" and resid 24   and name CA  )  
         (segid "   B" and resid 24   and name CB  ) (segid "   B" and resid 24   and name CG1 )  1.00 174.700 35.00 2

 ASSIGN  (segid "   B" and resid 30   and name N   ) (segid "   B" and resid 30   and name CA  ) 
         (segid "   B" and resid 30   and name CB  ) (segid "   B" and resid 30   and name CG  )  1.00 -65.500 35.00 2


set message=off echo=off end
end

# Restraints file 2: 15_hbond.tbl
 
assi 
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 27   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 27   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 26   and name  O   ))
      2.000     0.800     0.800

 assi 
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 26   and name  O   ))
      2.000     0.800     0.800

 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 24   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 24   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 23   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 23   and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 22   and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 22   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 21   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 21   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 20   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 20   and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 19   and name  O   ))
      2.000     0.500    0.500

 assi
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 19   and name  O   ))
      2.000     0.500    0.500

 assi
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 16   and name  O   ))
      2.000     0.500    0.500

 assi
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 16   and name  O   ))
      2.000     0.500    0.500

 assi 
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 11   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 11   and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 9    and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 9    and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 7    and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 7    and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 6    and name  O   ))
      2.000     0.500     0.500

 assi 
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 6    and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 5    and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 5    and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 3    and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 3    and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 2    and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 2    and name  O   ))
      2.000     0.500     0.500

 
 assi 
   ((( segid "   A" and resid 22   and name  HD21) OR (segid "   A" and resid 22   and name  HD22))
   (( segid "   A" and resid 18   and name  O   ))
      2.000     0.500     0.500

 assi 
   ((( segid "   B" and resid 22   and name  HD21) OR (segid "   B" and resid 22   and name  HD22))
   (( segid "   B" and resid 18   and name  O   ))
      2.000     0.500     0.500

 assi
   (( segid "   B" and resid 18   and name  O   ))
   (( segid "   B" and resid 22   and name  ND2 ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 18   and name  O   ))
   (( segid "   A" and resid 22   and name  ND2 ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 27   and name  O   ))
   (( segid "   A" and resid 31   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 27   and name  O   ))
   (( segid "   B" and resid 31   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 26   and name  O   ))
   (( segid "   A" and resid 30   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 26   and name  O   ))
   (( segid "   B" and resid 30   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 24   and name  O   ))
   (( segid "   A" and resid 28   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 24   and name  O   ))
   (( segid "   B" and resid 28   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 23   and name  O   ))
   (( segid "   A" and resid 27   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 23   and name  O   ))
   (( segid "   B" and resid 27   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 22   and name  O   ))
   (( segid "   B" and resid 26   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 22   and name  O   ))
   (( segid "   A" and resid 26   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 21   and name  O   ))
   (( segid "   B" and resid 25   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 21   and name  O   ))
   (( segid "   A" and resid 25   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 20   and name  O   ))
   (( segid "   A" and resid 24   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 20   and name  O   ))
   (( segid "   B" and resid 24   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 19   and name  O   ))
   (( segid "   B" and resid 23   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 19   and name  O   ))
   (( segid "   A" and resid 23   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 16   and name  O   ))
   (( segid "   B" and resid 20   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 16   and name  O   ))
   (( segid "   A" and resid 20   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 11   and name  O   ))
   (( segid "   A" and resid 15   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 11   and name  O   ))
   (( segid "   B" and resid 15   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 9    and name  O   ))
   (( segid "   A" and resid 13   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 9    and name  O   ))
   (( segid "   B" and resid 13   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 7    and name  O   ))
   (( segid "   A" and resid 11   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 7    and name  O   ))
   (( segid "   B" and resid 11   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 6    and name  O   ))
   (( segid "   A" and resid 10   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 6    and name  O   ))
   (( segid "   B" and resid 10   and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 5    and name  O   ))
   (( segid "   B" and resid 9    and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 5    and name  O   ))
   (( segid "   A" and resid 9    and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 3    and name  O   ))
   (( segid "   B" and resid 7    and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 3    and name  O   ))
   (( segid "   A" and resid 7    and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   A" and resid 2    and name  O   ))
   (( segid "   A" and resid 6    and name  N   ))
      3.000     0.500     0.500

 assi
   (( segid "   B" and resid 2    and name  O   ))
   (( segid "   B" and resid 6    and name  N   ))
      3.000     0.500     0.500


# Restraints file 3: 15_new_noe.tbl


! ASSI {    2}
!   (( segid "   B" and resid 31   and name  HA  ))
!   (  segid "   B" and resid 28   and name  HD1)
!      4.084     0.817     0.817 peak     2 weight  1.00000E+00 volume  2.22362E+04 ppm1      4.257 ppm2      1.079
!10HG2#

 ASSI {   12}
   (( segid "   B" and resid 30   and name  HA  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      4.059     0.812     0.812 peak    12 weight  1.00000E+00 volume  1.18948E+05 ppm1      4.403 ppm2      1.794

 ASSI {   12}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      4.059     0.812     0.812 peak    12 weight  1.00000E+00 volume  1.18948E+05 ppm1      4.403 ppm2      1.794

 ASSI {   13}
   (( segid "   A" and resid 30   and name  HB2 ))
   (  segid "   A" and resid 30   and name  HD1#)
      4.035     0.807     0.807 peak    13 weight  1.00000E+00 volume  5.02064E+04 ppm1      1.789 ppm2      0.989

 ASSI {   13}
   (( segid "   B" and resid 30   and name  HB2 ))
   (  segid "   B" and resid 30   and name  HD1#)
      4.035     0.807     0.807 peak    13 weight  1.00000E+00 volume  5.02064E+04 ppm1      1.789 ppm2      0.989

 ASSI {   19}
   (( segid "   B" and resid 27   and name  HA  ))
   (  segid "   B" and resid 27   and name  HD13)
      4.471     0.894     0.894 peak    19 weight  1.00000E+00 volume  2.49799E+04 ppm1      4.181 ppm2      0.680

 ASSI {   19}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 27   and name  HD13)
      4.471     0.894     0.894 peak    19 weight  1.00000E+00 volume  2.49799E+04 ppm1      4.181 ppm2      0.680
!17HA

 ASSI {   20}
   (( segid "   A" and resid 27   and name  HB2 ))
   (  segid "   B" and resid 27   and name  HD2#)
      5.453     1.091     1.091 peak    20 weight  1.00000E+00 volume  2.05628E+04 ppm1      1.719 ppm2      0.982

 ASSI {   20}
   (( segid "   B" and resid 27   and name  HB2 ))
   (  segid "   A" and resid 27   and name  HD2#)
      5.453     1.091     1.091 peak    20 weight  1.00000E+00 volume  2.05628E+04 ppm1      1.719 ppm2      0.982
!6HB1

 ASSI {   22}
   (  segid "   A" and resid 27   and name  HD2#)
   (  segid "   A" and resid 27   and name  HD1#)
      2.992     0.598     0.598 peak    22 weight  1.00000E+00 volume  3.87294E+04 ppm1      0.669 ppm2      0.983

 ASSI {   22}
   (  segid "   B" and resid 27   and name  HD2#)
   (  segid "   B" and resid 27   and name  HD1#)
      2.992     0.598     0.598 peak    22 weight  1.00000E+00 volume  3.87294E+04 ppm1      0.669 ppm2      0.983

 ASSI {   25}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      4.234     0.847     0.847 peak    25 weight  1.00000E+00 volume  3.85154E+04 ppm1      4.198 ppm2      7.908

 ASSI {   25}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 25   and name  HA  ))
      4.234     0.847     0.847 peak    25 weight  1.00000E+00 volume  3.85154E+04 ppm1      4.198 ppm2      7.908
!11HA

 ASSI {   26}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 23   and name  HB2 ))
      4.793     0.959     0.959 peak    26 weight  1.00000E+00 volume  2.19884E+04 ppm1      2.107 ppm2      8.819

 ASSI {   26}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB2 ))
      4.793     0.959     0.959 peak    26 weight  1.00000E+00 volume  2.19884E+04 ppm1      2.107 ppm2      8.819

 ASSI {   28}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 22   and name  HB2 ))
      2.484     0.497     0.497 peak    28 weight  1.00000E+00 volume  1.31649E+06 ppm1      4.609 ppm2      2.984

 ASSI {   28}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB2 ))
      2.484     0.497     0.497 peak    28 weight  1.00000E+00 volume  1.31649E+06 ppm1      4.609 ppm2      2.984

 ASSI {   29}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB2 ))
      2.783     0.557     0.557 peak    29 weight  1.00000E+00 volume  2.60257E+05 ppm1      4.438 ppm2      8.464

 ASSI {   29}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 15   and name  HB2 ))
      2.783     0.557     0.557 peak    29 weight  1.00000E+00 volume  2.60257E+05 ppm1      4.438 ppm2      8.464

 ASSI {   32}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HB2 ))
      3.940     0.788     0.788 peak    32 weight  1.00000E+00 volume  1.93367E+04 ppm1      1.674 ppm2      8.549

 ASSI {   32}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HB2 ))
      3.940     0.788     0.788 peak    32 weight  1.00000E+00 volume  1.93367E+04 ppm1      1.674 ppm2      8.549

 ASSI {   34}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HB1 ))
      3.781     0.756     0.756 peak    34 weight  1.00000E+00 volume  5.16920E+04 ppm1      4.235 ppm2      2.526

 ASSI {   34}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 8    and name  HB1 ))
      3.781     0.756     0.756 peak    34 weight  1.00000E+00 volume  5.16920E+04 ppm1      4.235 ppm2      2.526

 ASSI {   36}
   (( segid "   B" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HB2 ))
      3.530     0.706     0.706 peak    36 weight  1.00000E+00 volume  6.94251E+04 ppm1      1.098 ppm2      1.719

 ASSI {   37}
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   B" and resid 6    and name  HB2 ))
      3.647     0.729     0.729 peak    37 weight  1.00000E+00 volume  2.96711E+04 ppm1      1.786 ppm2      1.091
!30HB2

 ASSI {   38}
   (( segid "   B" and resid 6    and name  HB2 ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.383     0.677     0.677 peak    38 weight  1.00000E+00 volume  8.67985E+04 ppm1      1.091 ppm2      0.624

 ASSI {   38}
   (( segid "   A" and resid 6    and name  HB2 ))
   (  segid "   A" and resid 6    and name  HD1#)
      3.383     0.677     0.677 peak    38 weight  1.00000E+00 volume  8.67985E+04 ppm1      1.091 ppm2      0.624

 ASSI {   40}
   (( segid "   A" and resid 6    and name  HB1 ))
   (  segid "   A" and resid 6    and name  HD1#)
      3.255     0.651     0.651 peak    40 weight  1.00000E+00 volume  7.83327E+04 ppm1      1.782 ppm2      0.623

 ASSI {   40}
   (( segid "   B" and resid 6    and name  HB1 ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.255     0.651     0.651 peak    40 weight  1.00000E+00 volume  7.83327E+04 ppm1      1.782 ppm2      0.623
!30HB2

 ASSI {   43}
   (( segid "   A" and resid 20   and name  HG  ))
   (  segid "   B" and resid 20   and name  HD1#)
      4.904     0.981     0.981 peak    43 weight  1.00000E+00 volume  2.81397E+04 ppm1      2.123 ppm2      0.982

 ASSI {   43}
   (( segid "   B" and resid 20   and name  HG  ))
   (  segid "   A" and resid 20   and name  HD1#)
      4.904     0.981     0.981 peak    43 weight  1.00000E+00 volume  2.81397E+04 ppm1      2.123 ppm2      0.982

! ASSI {   44}
!   (( segid "   A" and resid 26   and name  HB2 ))
!   (( segid "   A" and resid 24   and name  HB  ))
!      3.700     0.740     0.740 peak    44 weight  1.00000E+00 volume  7.70928E+04 ppm1      2.351 ppm2      1.878
!7/1

 ASSI {   50}
   (( segid "   B" and resid 16   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HG ))
      3.449     0.690     0.690 peak    50 weight  1.00000E+00 volume  2.26206E+04 ppm1      1.907 ppm2      2.093

 ASSI {   50}
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HG ))
      3.449     0.690     0.690 peak    50 weight  1.00000E+00 volume  2.26206E+04 ppm1      1.907 ppm2      2.093
!16HB1

 ASSI {   51}
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 16   and name  HD2 ))
      3.816     0.763     0.763 peak    51 weight  1.00000E+00 volume  3.46110E+04 ppm1      1.901 ppm2      0.623

 ASSI {   51}
   (( segid "   B" and resid 16   and name  HB2 ))
   (( segid "   B" and resid 16   and name  HD2 ))
      3.816     0.763     0.763 peak    51 weight  1.00000E+00 volume  3.46110E+04 ppm1      1.901 ppm2      0.623

 ASSI {   62}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 2    and name  HB2 ))
      3.710     0.742     0.742 peak    62 weight  1.00000E+00 volume  5.36033E+04 ppm1      3.748 ppm2      4.375

 ASSI {   62}
   (( segid "   B" and resid 3    and name  HA  ))
   (( segid "   B" and resid 2    and name  HB2 ))
      3.710     0.742     0.742 peak    62 weight  1.00000E+00 volume  5.36033E+04 ppm1      3.748 ppm2      4.375

 ASSI {   65}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 9    and name  HD2 ))
      4.075     0.815     0.815 peak    65 weight  1.00000E+00 volume  3.44474E+04 ppm1      4.342 ppm2      1.160

 ASSI {   65}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HD2 ))
      4.075     0.815     0.815 peak    65 weight  1.00000E+00 volume  3.44474E+04 ppm1      4.342 ppm2      1.160

 ASSI {   69}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB1 ))
      3.705     0.741     0.741 peak    69 weight  1.00000E+00 volume  5.33153E+04 ppm1      2.544 ppm2      4.184

 ASSI {   69}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 22   and name  HB1 ))
      3.705     0.741     0.741 peak    69 weight  1.00000E+00 volume  5.33153E+04 ppm1      2.544 ppm2      4.184
!25HA

 ASSI {   71}
   (( segid "   B" and resid 27   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HB1 ))
      4.878     0.976     0.976 peak    71 weight  1.00000E+00 volume  2.20899E+04 ppm1      1.739 ppm2      0.996

 ASSI {   71}
   (( segid "   A" and resid 27   and name  HB2 ))
   (( segid "   B" and resid 27   and name  HB1 ))
      4.878     0.976     0.976 peak    71 weight  1.00000E+00 volume  2.20899E+04 ppm1      1.739 ppm2      0.996

! ASSI {   73}
!   (( segid "   B" and resid 11   and name  HA  ))
!   (( segid "   B" and resid 8    and name  HB1 ))
!      4.500     0.900     0.900 peak    73 weight  1.00000E+00 volume  2.34816E+04 ppm1      4.189 ppm2      2.532

 ASSI {   74}
   (( segid "   A" and resid 28   and name  HB2 ))
   (  segid "   A" and resid 25   and name  HB2 )
      5.430     1.086     1.086 peak    74 weight  1.00000E+00 volume  2.54032E+04 ppm1      1.986 ppm2      1.636

 ASSI {   74}
   (( segid "   B" and resid 28   and name  HB2 ))
   (  segid "   B" and resid 25   and name  HB2 )
      5.430     1.086     1.086 peak    74 weight  1.00000E+00 volume  2.54032E+04 ppm1      1.986 ppm2      1.636

 ASSI {   75}
   (( segid "   B" and resid 28   and name  HB2 ))
   (  segid "   A" and resid 27   and name  HD13)
      4.164     0.833     0.833 peak    75 weight  1.00000E+00 volume  1.40660E+04 ppm1      1.976 ppm2      0.675

 ASSI {   75}
   (( segid "   A" and resid 28   and name  HB2 ))
   (  segid "   B" and resid 27   and name  HD13)
      4.164     0.833     0.833 peak    75 weight  1.00000E+00 volume  1.40660E+04 ppm1      1.976 ppm2      0.675

 ASSI {   79}
   (( segid "   B" and resid 4    and name  HB2 ))
   (( segid "   B" and resid 3    and name  HB2 ))
      3.157     0.831     0.831 peak    79 weight  1.00000E+00 volume  4.75118E+05 ppm1      2.298 ppm2      1.989

 ASSI {   79}
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 3    and name  HB2 ))
      3.157     0.831     0.831 peak    79 weight  1.00000E+00 volume  4.75118E+05 ppm1      2.298 ppm2      1.989

 ASSI {   80}
   (( segid "   B" and resid 3    and name  HB2 ))
   (( segid "   B" and resid 4    and name  HG2 ))
      4.512     0.902     0.902 peak    80 weight  1.00000E+00 volume  1.20288E+05 ppm1      2.290 ppm2      1.631

 ASSI {   80}
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HG2 ))
      4.512     0.902     0.902 peak    80 weight  1.00000E+00 volume  1.20288E+05 ppm1      2.290 ppm2      1.631

 ASSI {   82}
   (( segid "   B" and resid 3    and name  HB2 ))
   (( segid "   B" and resid 4    and name  HD2 ))
      3.223     0.645     0.645 peak    82 weight  1.00000E+00 volume  1.19579E+05 ppm1      2.298 ppm2      0.679

 ASSI {   82}
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HD2 ))
      3.223     0.645     0.645 peak    82 weight  1.00000E+00 volume  1.19579E+05 ppm1      2.298 ppm2      0.679

! ASSI {   89}
!   (( segid "   B" and resid 30   and name  HB2 ))
!   (( segid "   A" and resid 3    and name  HB2 ))
!      3.806     0.761     0.761 peak    89 weight  1.00000E+00 volume  9.95938E+04 ppm1      2.288 ppm2      1.791

 ASSI {   90}
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 4    and name  HB1 ))
      2.568     0.514     0.514 peak    90 weight  1.00000E+00 volume  4.84852E+05 ppm1      2.292 ppm2      2.419

 ASSI {   90}
   (( segid "   B" and resid 7    and name  HB1 ))
   (( segid "   B" and resid 4    and name  HB1 ))
      2.568     0.514     0.514 peak    90 weight  1.00000E+00 volume  4.84852E+05 ppm1      2.292 ppm2      2.419

 ASSI {   92}
   (( segid "   B" and resid 3    and name  HB2 ))
   (( segid "   B" and resid 2    and name  HB2 ))
      3.603     0.721     0.721 peak    92 weight  1.00000E+00 volume  5.61219E+04 ppm1      2.292 ppm2      3.887

 ASSI {   92}
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 2    and name  HB2 ))
      3.603     0.721     0.721 peak    92 weight  1.00000E+00 volume  5.61219E+04 ppm1      2.292 ppm2      3.887

 ASSI {   94}
   (( segid "   B" and resid 4    and name  HA  ))
   (( segid "   B" and resid 3    and name  HN  ))
      4.251     0.850     0.850 peak    94 weight  1.00000E+00 volume  3.17567E+04 ppm1      4.203 ppm2      9.094

 ASSI {   94}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 3    and name  HN  ))
      4.251     0.850     0.850 peak    94 weight  1.00000E+00 volume  3.17567E+04 ppm1      4.203 ppm2      9.094
!11HA

! ASSI {  102}
!   (( segid "   A" and resid 13   and name  HB2 ))
!   (( segid "   B" and resid 5    and name  HB1 ))
!      4.114     0.823     0.823 peak   102 weight  1.00000E+00 volume  7.68976E+04 ppm1      1.753 ppm2      1.442

 ASSI {  103}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   B" and resid 10   and name  HG1 ))
      3.834     0.767     0.767 peak   103 weight  1.00000E+00 volume  3.20590E+04 ppm1      4.317 ppm2      1.143

 ASSI {  103}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 10   and name  HG1 ))
      3.834     0.767     0.767 peak   103 weight  1.00000E+00 volume  3.20590E+04 ppm1      4.317 ppm2      1.143
!9HD2

 ASSI {  104}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HB2 ))
      3.225     0.645     0.645 peak   104 weight  1.00000E+00 volume  6.31767E+04 ppm1      1.796 ppm2      1.402

 ASSI {  104}
   (( segid "   B" and resid 28   and name  HB1 ))
   (( segid "   B" and resid 30   and name  HB2 ))
      3.225     0.645     0.645 peak   104 weight  1.00000E+00 volume  6.31767E+04 ppm1      1.796 ppm2      1.402
!13HB2

 ASSI {  108}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 6    and name  HG  ))
      5.923     1.185     1.185 peak   108 weight  1.00000E+00 volume  2.62149E+04 ppm1      1.921 ppm2      7.998

 ASSI {  108}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 6    and name  HG  ))
      5.923     1.185     1.185 peak   108 weight  1.00000E+00 volume  2.62149E+04 ppm1      1.921 ppm2      7.998

 ASSI {  110}
   (  segid "   A" and resid 6    and name  HB2)
   (  segid "   A" and resid 6    and name  HD1#)
      3.113     0.623     0.623 peak   110 weight  1.00000E+00 volume  1.73071E+05 ppm1      0.646 ppm2      0.994

 ASSI {  110}
   (  segid "   B" and resid 6    and name  HB2)
   (  segid "   B" and resid 6    and name  HD1#)
      3.113     0.623     0.623 peak   110 weight  1.00000E+00 volume  1.73071E+05 ppm1      0.646 ppm2      0.994

 ASSI {  111}
   (( segid "   A" and resid 6    and name  HB1 ))
   (  segid "   A" and resid 6    and name  HD1#)
      3.185     0.637     0.637 peak   111 weight  1.00000E+00 volume  1.76974E+05 ppm1      0.646 ppm2      1.703

 ASSI {  111}
   (( segid "   B" and resid 6    and name  HB1 ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.185     0.637     0.637 peak   111 weight  1.00000E+00 volume  1.76974E+05 ppm1      0.646 ppm2      1.703

 ASSI {  112}
   (( segid "   A" and resid 6    and name  HG  ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.957     0.791     0.791 peak   112 weight  1.00000E+00 volume  8.18287E+04 ppm1      0.658 ppm2      1.894

 ASSI {  114}
   (( segid "   A" and resid 28   and name  HA  ))
   (  segid "   B" and resid 27   and name  HD2#)
      4.030     0.806     0.806 peak   114 weight  1.00000E+00 volume  5.04322E+04 ppm1      0.650 ppm2      4.004

 ASSI {  114}
   (( segid "   B" and resid 28   and name  HA  ))
   (  segid "   A" and resid 27   and name  HD2#)
      4.030     0.806     0.806 peak   114 weight  1.00000E+00 volume  5.04322E+04 ppm1      0.650 ppm2      4.004
!6HD1#

 ASSI {  115}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 7    and name  HG1 ))
      3.932     0.786     0.786 peak   115 weight  1.00000E+00 volume  3.42272E+04 ppm1      2.881 ppm2      4.175

 ASSI {  115}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 7    and name  HG1 ))
      3.932     0.786     0.786 peak   115 weight  1.00000E+00 volume  3.42272E+04 ppm1      2.881 ppm2      4.175
!4HA

 ASSI {  116}
   (( segid "   B" and resid 4    and name  HA  ))
   (( segid "   B" and resid 7    and name  HG2 ))
      4.711     0.942     0.942 peak   116 weight  1.00000E+00 volume  3.38850E+04 ppm1      2.767 ppm2      4.179

 ASSI {  116}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 7    and name  HG2 ))
      4.711     0.942     0.942 peak   116 weight  1.00000E+00 volume  3.38850E+04 ppm1      2.767 ppm2      4.179

 ASSI {  117}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 9    and name  HB2 ))
      5.205     1.041     1.041 peak   117 weight  1.00000E+00 volume  4.04380E+04 ppm1      4.249 ppm2      1.727

 ASSI {  117}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 9    and name  HB2 ))
      5.205     1.041     1.041 peak   117 weight  1.00000E+00 volume  4.04380E+04 ppm1      4.249 ppm2      1.727

! ASSI {  119}
!   (( segid "   A" and resid 22   and name  HA  ))
!   (( segid "   A" and resid 8    and name  HA  ))
!      3.538     0.708     0.708 peak   119 weight  1.00000E+00 volume  8.35794E+04 ppm1      4.240 ppm2      4.613

 ASSI {  123}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      4.415     0.883     0.883 peak   123 weight  1.00000E+00 volume  4.68224E+04 ppm1      4.253 ppm2      8.187

 ASSI {  123}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 9    and name  HN  ))
      4.415     0.883     0.883 peak   123 weight  1.00000E+00 volume  4.68224E+04 ppm1      4.253 ppm2      8.187
!6HN

 ASSI {  124}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      4.305     0.861     0.861 peak   124 weight  1.00000E+00 volume  2.34231E+04 ppm1      4.218 ppm2      8.376

 ASSI {  124}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 12   and name  HN  ))
      4.305     0.861     0.861 peak   124 weight  1.00000E+00 volume  2.34231E+04 ppm1      4.218 ppm2      8.376

 ASSI {  134}
   (( segid "   B" and resid 10   and name  HB  ))
   (( segid "   B" and resid 11   and name  HG2 ))
      2.951     0.590     0.590 peak   134 weight  1.00000E+00 volume  9.01843E+04 ppm1      2.273 ppm2      2.429

 ASSI {  134}
   (( segid "   A" and resid 10   and name  HB  ))
   (( segid "   A" and resid 11   and name  HG2 ))
      2.951     0.590     0.590 peak   134 weight  1.00000E+00 volume  9.01843E+04 ppm1      2.273 ppm2      2.429

! ASSI {  135}
!   (( segid "   B" and resid 22   and name  HB2 ))
!   (( segid "   A" and resid 10   and name  HB  ))
!      4.198     0.840     0.840 peak   135 weight  1.00000E+00 volume  3.66887E+04 ppm1      2.268 ppm2      2.990

 ASSI {  137}
   (( segid "   B" and resid 9    and name  HB2 ))
   (( segid "   B" and resid 5    and name  HB2 ))
      3.671     0.734     0.734 peak   137 weight  1.00000E+00 volume  4.95030E+04 ppm1      1.689 ppm2      1.973

 ASSI {  137}
   (( segid "   A" and resid 9    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HB2 ))
      3.671     0.734     0.734 peak   137 weight  1.00000E+00 volume  4.95030E+04 ppm1      1.689 ppm2      1.973

 ASSI {  143}
   (( segid "   B" and resid 12   and name  HN  ))
   (  segid "   B" and resid 10   and name  HG1#)
      5.472     1.094     1.094 peak   143 weight  1.00000E+00 volume  3.56460E+04 ppm1      1.195 ppm2      8.366

 ASSI {  143}
   (( segid "   A" and resid 12   and name  HN  ))
   (  segid "   A" and resid 10   and name  HG1#)
      5.472     1.094     1.094 peak   143 weight  1.00000E+00 volume  3.56460E+04 ppm1      1.195 ppm2      8.366

 ASSI {  146}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB2 ))
      4.052     0.810     0.810 peak   146 weight  1.00000E+00 volume  3.86519E+04 ppm1      4.313 ppm2      4.442

 ASSI {  146}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 15   and name  HB2 ))
      4.052     0.810     0.810 peak   146 weight  1.00000E+00 volume  3.86519E+04 ppm1      4.313 ppm2      4.442

 ASSI {  151}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      4.298     0.860     0.860 peak   151 weight  1.00000E+00 volume  3.09583E+04 ppm1      4.300 ppm2      8.029

 ASSI {  151}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 11   and name  HN  ))
      4.298     0.860     0.860 peak   151 weight  1.00000E+00 volume  3.09583E+04 ppm1      4.300 ppm2      8.029

 ASSI {  152}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.764     0.753     0.753 peak   152 weight  1.00000E+00 volume  4.18484E+04 ppm1      4.318 ppm2      9.095

 ASSI {  152}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 14   and name  HN  ))
      3.764     0.753     0.753 peak   152 weight  1.00000E+00 volume  4.18484E+04 ppm1      4.318 ppm2      9.095
!3HN

 ASSI {  154}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 15   and name  HB2 ))
      3.725     0.745     0.745 peak   154 weight  1.00000E+00 volume  5.57429E+04 ppm1      4.230 ppm2      4.447

 ASSI {  154}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB2 ))
      3.725     0.745     0.745 peak   154 weight  1.00000E+00 volume  5.57429E+04 ppm1      4.230 ppm2      4.447

 ASSI {  155}
   (( segid "   B" and resid 13   and name  HA  ))
   (  segid "   B" and resid 13   and name  HD1#)
      4.294     0.859     0.859 peak   155 weight  1.00000E+00 volume  2.27381E+04 ppm1      4.212 ppm2      1.083

 ASSI {  155}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD1#)
      4.294     0.859     0.859 peak   155 weight  1.00000E+00 volume  2.27381E+04 ppm1      4.212 ppm2      1.083

 ASSI {  156}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      4.673     0.935     0.935 peak   156 weight  1.00000E+00 volume  2.60038E+04 ppm1      4.194 ppm2      8.367

 ASSI {  156}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 12   and name  HN  ))
      4.673     0.935     0.935 peak   156 weight  1.00000E+00 volume  2.60038E+04 ppm1      4.194 ppm2      8.367

 ASSI {  158}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 17   and name  HB2 ))
      4.344     0.869     0.869 peak   158 weight  1.00000E+00 volume  1.68736E+04 ppm1      2.290 ppm2      2.903

 ASSI {  158}
   (( segid "   B" and resid 13   and name  HB1 ))
   (( segid "   B" and resid 17   and name  HB2 ))
      4.344     0.869     0.869 peak   158 weight  1.00000E+00 volume  1.68736E+04 ppm1      2.290 ppm2      2.903

 ASSI {  161}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HB1 ))
      5.283     1.057     1.057 peak   161 weight  1.00000E+00 volume  1.37717E+04 ppm1      2.294 ppm2      8.832

 ASSI {  161}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      5.283     1.057     1.057 peak   161 weight  1.00000E+00 volume  1.37717E+04 ppm1      2.294 ppm2      8.832

 ASSI {  162}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 15   and name  HB2 ))
      3.725     0.745     0.745 peak   162 weight  1.00000E+00 volume  5.57429E+04 ppm1      4.230 ppm2      4.433

 ASSI {  162}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB2 ))
      3.725     0.745     0.745 peak   162 weight  1.00000E+00 volume  5.57429E+04 ppm1      4.230 ppm2      4.433

 ASSI {  163}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 10   and name  HA  ))
      6.014     1.203     1.203 peak   163 weight  1.00000E+00 volume  3.86211E+04 ppm1      4.225 ppm2      3.542

 ASSI {  163}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 10   and name  HA  ))
      6.014     1.203     1.203 peak   163 weight  1.00000E+00 volume  3.86211E+04 ppm1      4.225 ppm2      3.542

 ASSI {  164}
   (( segid "   B" and resid 13   and name  HA  ))
   (  segid "   B" and resid 13   and name  HD1#)
      4.334     0.867     0.867 peak   164 weight  1.00000E+00 volume  1.85441E+04 ppm1      4.199 ppm2      1.074

 ASSI {  164}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD1#)
      4.334     0.867     0.867 peak   164 weight  1.00000E+00 volume  1.85441E+04 ppm1      4.199 ppm2      1.074

 ASSI {  172}
   (( segid "   A" and resid 15   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HB2 ))
      3.338     0.668     0.668 peak   172 weight  1.00000E+00 volume  1.59577E+05 ppm1      4.450 ppm2      3.722

 ASSI {  172}
   (( segid "   B" and resid 15   and name  HB2 ))
   (( segid "   B" and resid 19   and name  HB2 ))
      3.338     0.668     0.668 peak   172 weight  1.00000E+00 volume  1.59577E+05 ppm1      4.450 ppm2      3.722
!2HB2

! ASSI {  175}
!   (( segid "   A" and resid 15   and name  HB2 ))
!   (( segid "   A" and resid 11   and name  HG2 ))
!      5.204     1.041     1.041 peak   175 weight  1.00000E+00 volume  2.52309E+05 ppm1      4.459 ppm2      2.420

 ASSI {  179}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 15   and name  HB2 ))
      2.653     0.531     0.531 peak   179 weight  1.00000E+00 volume  3.06939E+05 ppm1      4.463 ppm2      8.551

 ASSI {  179}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB2 ))
      2.653     0.531     0.531 peak   179 weight  1.00000E+00 volume  3.06939E+05 ppm1      4.463 ppm2      8.551
!10HN

 ASSI {  182}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 16   and name  HA  ))
      4.534     0.907     0.907 peak   182 weight  1.00000E+00 volume  2.96637E+04 ppm1      4.221 ppm2      4.535

 ASSI {  182}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 16   and name  HA  ))
      4.534     0.907     0.907 peak   182 weight  1.00000E+00 volume  2.96637E+04 ppm1      4.221 ppm2      4.535

! ASSI {  183}
!   (( segid "   A" and resid 16   and name  HA  ))
!   (( segid "   A" and resid 11   and name  HG2 ))
!      4.323     0.865     0.865 peak   183 weight  1.00000E+00 volume  1.99992E+04 ppm1      4.229 ppm2      2.392

 ASSI {  184}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      4.017     0.803     0.803 peak   184 weight  1.00000E+00 volume  4.30274E+04 ppm1      4.216 ppm2      9.070

 ASSI {  184}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 16   and name  HA  ))
      4.017     0.803     0.803 peak   184 weight  1.00000E+00 volume  4.30274E+04 ppm1      4.216 ppm2      9.070
!14HN

 ASSI {  185}
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HB1 ))
      3.335     0.667     0.667 peak   185 weight  1.00000E+00 volume  6.78405E+04 ppm1      1.897 ppm2      2.265

 ASSI {  185}
   (( segid "   B" and resid 16   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HB1 ))
      3.335     0.667     0.667 peak   185 weight  1.00000E+00 volume  6.78405E+04 ppm1      1.897 ppm2      2.265

 ASSI {  186}
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HB2 ))
      3.756     0.751     0.751 peak   186 weight  1.00000E+00 volume  4.39621E+04 ppm1      1.880 ppm2      2.437

 ASSI {  186}
   (( segid "   B" and resid 16   and name  HB2 ))
   (( segid "   B" and resid 12   and name  HB2 ))
      3.756     0.751     0.751 peak   186 weight  1.00000E+00 volume  4.39621E+04 ppm1      1.880 ppm2      2.437

 ASSI {  187}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 13   and name  HB1 ))
      2.926     0.585     0.585 peak   187 weight  1.00000E+00 volume  1.79497E+05 ppm1      2.069 ppm2      2.261

 ASSI {  187}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HB1 ))
      2.926     0.585     0.585 peak   187 weight  1.00000E+00 volume  1.79497E+05 ppm1      2.069 ppm2      2.261

 ASSI {  189}
   (( segid "   A" and resid 16   and name  HB1 ))
   (  segid "   A" and resid 16   and name  HD1)
      3.682     0.736     0.736 peak   189 weight  1.00000E+00 volume  2.81778E+04 ppm1      2.064 ppm2      0.686

 ASSI {  189}
   (( segid "   B" and resid 16   and name  HB1 ))
   (  segid "   B" and resid 16   and name  HD1)
      3.682     0.736     0.736 peak   189 weight  1.00000E+00 volume  2.81778E+04 ppm1      2.064 ppm2      0.686
!27HD1#

 ASSI {  190}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HD2 ))
      3.816     0.763     0.763 peak   190 weight  1.00000E+00 volume  3.04827E+04 ppm1      2.077 ppm2      0.618

 ASSI {  190}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HD2 ))
      3.816     0.763     0.763 peak   190 weight  1.00000E+00 volume  3.04827E+04 ppm1      2.077 ppm2      0.618

! ASSI {  201}
!   (( segid "   A" and resid 20   and name  HA  ))
!   (( segid "   A" and resid 21   and name  HN  ))
!      5.019     1.004     1.004 peak   201 weight  1.00000E+00 volume  3.02499E+04 ppm1      4.275 ppm2      8.917
!20HN

! ASSI {  209}
!   (( segid "   A" and resid 11   and name  HA  ))
!   (( segid "   A" and resid 22   and name  HB2 ))
!      4.718     0.944     0.944 peak   209 weight  1.00000E+00 volume  4.02785E+04 ppm1      4.182 ppm2      2.986

 ASSI {  210}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.901     0.780     0.780 peak   210 weight  1.00000E+00 volume  5.02658E+04 ppm1      4.193 ppm2      4.527

 ASSI {  210}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 16   and name  HA  ))
      3.901     0.780     0.780 peak   210 weight  1.00000E+00 volume  5.02658E+04 ppm1      4.193 ppm2      4.527
!11HA

 ASSI {  214}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 11   and name  HA  ))
      4.321     0.864     0.864 peak   214 weight  1.00000E+00 volume  2.57799E+04 ppm1      4.193 ppm2      9.088

 ASSI {  214}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      4.321     0.864     0.864 peak   214 weight  1.00000E+00 volume  2.57799E+04 ppm1      4.193 ppm2      9.088

 ASSI {  217}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB1 ))
      3.721     0.744     0.744 peak   217 weight  1.00000E+00 volume  2.63523E+05 ppm1      4.580 ppm2      1.998

 ASSI {  217}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 26   and name  HB1 ))
      3.721     0.744     0.744 peak   217 weight  1.00000E+00 volume  2.63523E+05 ppm1      4.580 ppm2      1.998
!28HB2

 ASSI {  218}
   (( segid "   B" and resid 22   and name  HA  ))
   (  segid "   B" and resid 25   and name  HB# )
      2.391     0.478     0.478 peak   218 weight  1.00000E+00 volume  5.94735E+04 ppm1      4.586 ppm2      1.630

 ASSI {  218}
   (( segid "   A" and resid 22   and name  HA  ))
   (  segid "   A" and resid 25   and name  HB# )
      2.391     0.478     0.478 peak   218 weight  1.00000E+00 volume  5.94735E+04 ppm1      4.586 ppm2      1.630

 ASSI {  219}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 22   and name  HN  ))
      3.245     0.649     0.649 peak   219 weight  1.00000E+00 volume  1.54739E+05 ppm1      4.554 ppm2      7.996

 ASSI {  219}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.245     0.649     0.649 peak   219 weight  1.00000E+00 volume  1.54739E+05 ppm1      4.554 ppm2      7.996

! ASSI {  224}
!   (( segid "   B" and resid 22   and name  HB1 ))
!   (  segid "   B" and resid 27   and name  HD1#)
!      4.058     0.812     0.812 peak   224 weight  1.00000E+00 volume  3.10839E+04 ppm1      2.549 ppm2      0.616

 ASSI {  225}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 24   and name  HA  ))
      4.063     0.813     0.813 peak   225 weight  1.00000E+00 volume  2.60210E+04 ppm1      4.268 ppm2      3.552

 ASSI {  225}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 24   and name  HA  ))
      4.063     0.813     0.813 peak   225 weight  1.00000E+00 volume  2.60210E+04 ppm1      4.268 ppm2      3.552

 ASSI {  226}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB2 ))
      4.565     0.913     0.913 peak   226 weight  1.00000E+00 volume  3.24737E+04 ppm1      4.259 ppm2      2.991

 ASSI {  226}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 22   and name  HB2 ))
      4.565     0.913     0.913 peak   226 weight  1.00000E+00 volume  3.24737E+04 ppm1      4.259 ppm2      2.991

 ASSI {  229}
   (  segid "   B" and resid 24   and name  HG1#)
   (( segid "   A" and resid 23   and name  HB2 ))
      5.168     1.034     1.034 peak   229 weight  1.00000E+00 volume  2.56628E+04 ppm1      2.112 ppm2      1.172

 ASSI {  229}
   (  segid "   A" and resid 24   and name  HG1#)
   (( segid "   B" and resid 23   and name  HB2 ))
      5.168     1.034     1.034 peak   229 weight  1.00000E+00 volume  2.56628E+04 ppm1      2.112 ppm2      1.172

 ASSI {  230}
   (( segid "   A" and resid 23   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HG2 ))
      5.098     1.020     1.020 peak   230 weight  1.00000E+00 volume  1.99350E+04 ppm1      2.355 ppm2      2.067

 ASSI {  230}
   (( segid "   B" and resid 23   and name  HG2 ))
   (( segid "   B" and resid 26   and name  HG2 ))
      5.098     1.020     1.020 peak   230 weight  1.00000E+00 volume  1.99350E+04 ppm1      2.355 ppm2      2.067

 ASSI {  231}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG2 ))
      5.773     1.155     1.155 peak   231 weight  1.00000E+00 volume  8.28845E+03 ppm1      2.355 ppm2      4.181

 ASSI {  231}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 23   and name  HG2 ))
      5.773     1.155     1.155 peak   231 weight  1.00000E+00 volume  8.28845E+03 ppm1      2.355 ppm2      4.181

 ASSI {  233}
   (( segid "   A" and resid 24   and name  HB  ))
   (( segid "   A" and resid 23   and name  HG1 ))
      4.675     0.935     0.935 peak   233 weight  1.00000E+00 volume  3.13279E+04 ppm1      2.347 ppm2      2.895

 ASSI {  233}
   (( segid "   B" and resid 24   and name  HB  ))
   (( segid "   B" and resid 23   and name  HG1 ))
      4.675     0.935     0.935 peak   233 weight  1.00000E+00 volume  3.13279E+04 ppm1      2.347 ppm2      2.895
!17HB2

 ASSI {  237}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB  ))
      4.215     0.843     0.843 peak   237 weight  1.00000E+00 volume  2.71828E+04 ppm1      2.351 ppm2      8.005

 ASSI {  237}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 24   and name  HB  ))
      4.215     0.843     0.843 peak   237 weight  1.00000E+00 volume  2.71828E+04 ppm1      2.351 ppm2      8.005

 ASSI {  240}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 27   and name  HB2 ))
      4.297     0.859     0.859 peak   240 weight  1.00000E+00 volume  2.10505E+04 ppm1      4.194 ppm2      1.745

 ASSI {  240}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      4.297     0.859     0.859 peak   240 weight  1.00000E+00 volume  2.10505E+04 ppm1      4.194 ppm2      1.745

 ASSI {  241}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 22   and name  HA  ))
      4.255     0.851     0.851 peak   241 weight  1.00000E+00 volume  3.63887E+04 ppm1      4.186 ppm2      4.628

 ASSI {  241}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 22   and name  HA  ))
      4.255     0.851     0.851 peak   241 weight  1.00000E+00 volume  3.63887E+04 ppm1      4.186 ppm2      4.628

 ASSI {  242}
   (  segid "   A" and resid 25   and name  HB# )
   (( segid "   A" and resid 30   and name  HB2 ))
      4.169     0.834     0.834 peak   242 weight  1.00000E+00 volume  3.02819E+04 ppm1      1.648 ppm2      1.795

 ASSI {  242}
   (  segid "   A" and resid 25   and name  HB# )
   (( segid "   A" and resid 30   and name  HB2 ))
      4.169     0.834     0.834 peak   242 weight  1.00000E+00 volume  3.02819E+04 ppm1      1.648 ppm2      1.795

 ASSI {  245}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 23   and name  HG2 ))
      4.422     0.884     0.884 peak   245 weight  1.00000E+00 volume  1.13592E+04 ppm1      4.222 ppm2      2.392

 ASSI {  245}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG2 ))
      4.422     0.884     0.884 peak   245 weight  1.00000E+00 volume  1.13592E+04 ppm1      4.222 ppm2      2.392

 ASSI {  258}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HD2 ))
      4.294     0.859     0.859 peak   258 weight  1.00000E+00 volume  2.27381E+04 ppm1      4.206 ppm2      1.079

 ASSI {  258}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 13   and name  HD2 ))
      4.294     0.859     0.859 peak   258 weight  1.00000E+00 volume  2.27381E+04 ppm1      4.206 ppm2      1.079
!28HD2

 ASSI {  261}
   (( segid "   B" and resid 32   and name  HA2 ))
   (( segid "   B" and resid 27   and name  HB1 ))
      4.444     0.889     0.889 peak   261 weight  1.00000E+00 volume  3.16761E+04 ppm1      1.055 ppm2      4.163

 ASSI {  261}
   (( segid "   A" and resid 32   and name  HA2 ))
   (( segid "   A" and resid 27   and name  HB1 ))
      4.444     0.889     0.889 peak   261 weight  1.00000E+00 volume  3.16761E+04 ppm1      1.055 ppm2      4.163

 ASSI {  267}
   (( segid "   B" and resid 32   and name  HN  ))
   (  segid "   B" and resid 31   and name  HG1#)
      3.226     0.645     0.645 peak   267 weight  1.00000E+00 volume  2.30019E+04 ppm1      0.666 ppm2      8.009

 ASSI {  267}
   (( segid "   A" and resid 32   and name  HN  ))
   (  segid "   A" and resid 31   and name  HG1#)
      3.226     0.645     0.645 peak   267 weight  1.00000E+00 volume  2.30019E+04 ppm1      0.666 ppm2      8.009
!27HD1

 ASSI {  272}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HG2 ))
      3.650     0.730     0.730 peak   272 weight  1.00000E+00 volume  8.55740E+03 ppm1      1.673 ppm2      1.906

 ASSI {  272}
   (( segid "   B" and resid 28   and name  HB1 ))
   (( segid "   B" and resid 28   and name  HG2 ))
      3.650     0.730     0.730 peak   272 weight  1.00000E+00 volume  8.55740E+03 ppm1      1.673 ppm2      1.906
!26HB2

 ASSI {  276}
   (( segid "   B" and resid 28   and name  HB2 ))
   (( segid "   B" and resid 28   and name  HD2 ))
      3.371     0.674     0.674 peak   276 weight  1.00000E+00 volume  7.42686E+04 ppm1      1.108 ppm2      1.465

 ASSI {  276}
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HD2 ))
      3.371     0.674     0.674 peak   276 weight  1.00000E+00 volume  7.42686E+04 ppm1      1.108 ppm2      1.465

! ASSI {  277}
!   (( segid "   A" and resid 28   and name  HD2 ))
!   (( segid "   A" and resid 16   and name  HD2 ))
!      3.746     0.749     0.749 peak   277 weight  1.00000E+00 volume  3.76220E+04 ppm1      1.112 ppm2      0.606

 ASSI {  282}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 30   and name  HA  ))
      3.062     0.612     0.612 peak   282 weight  1.00000E+00 volume  8.42685E+04 ppm1      4.397 ppm2      7.848

 ASSI {  282}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))
      3.062     0.612     0.612 peak   282 weight  1.00000E+00 volume  8.42685E+04 ppm1      4.397 ppm2      7.848

 ASSI {  283}
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))
      4.069     0.814     0.814 peak   283 weight  1.00000E+00 volume  5.02715E+04 ppm1      4.384 ppm2      8.029

 ASSI {  283}
   (( segid "   B" and resid 32   and name  HN  ))
   (( segid "   B" and resid 30   and name  HA  ))
      4.069     0.814     0.814 peak   283 weight  1.00000E+00 volume  5.02715E+04 ppm1      4.384 ppm2      8.029

 ASSI {  284}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HB2 ))
      3.225     0.645     0.645 peak   284 weight  1.00000E+00 volume  6.31767E+04 ppm1      1.792 ppm2      1.434

 ASSI {  284}
   (( segid "   B" and resid 28   and name  HB1 ))
   (( segid "   B" and resid 30   and name  HB2 ))
      3.225     0.645     0.645 peak   284 weight  1.00000E+00 volume  6.31767E+04 ppm1      1.792 ppm2      1.434

 ASSI {  285}
   (( segid "   A" and resid 6    and name  HB1 ))
   (  segid "   A" and resid 6    and name  HD1#)
      3.207     0.641     0.641 peak   285 weight  1.00000E+00 volume  7.08524E+04 ppm1      1.796 ppm2      0.659

 ASSI {  285}
   (( segid "   B" and resid 6    and name  HB1 ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.207     0.641     0.641 peak   285 weight  1.00000E+00 volume  7.08524E+04 ppm1      1.796 ppm2      0.659

 ASSI {  286}
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.984     0.797     0.797 peak   286 weight  1.00000E+00 volume  2.98205E+04 ppm1      1.783 ppm2      3.988

 ASSI {  286}
   (( segid "   B" and resid 30   and name  HB2 ))
   (( segid "   B" and resid 28   and name  HA  ))
      3.984     0.797     0.797 peak   286 weight  1.00000E+00 volume  2.98205E+04 ppm1      1.783 ppm2      3.988

 ASSI {  268}
   (( segid "   B" and resid 14   and name  HN  ))
   (  segid "   B" and resid 13   and name  HD1#)
      2.993     0.799     0.799 peak   268 weight  1.00000E+00 volume  2.74379E+05 ppm1      9.042 ppm2      1.072

 ASSI {  268}
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      2.993     0.799     0.799 peak   268 weight  1.00000E+00 volume  2.74379E+05 ppm1      9.042 ppm2      1.072
!14HD1#

 ASSI {  370}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.783     0.757     0.757 peak   370 weight  1.00000E+00 volume  1.43323E+05 ppm1      7.876 ppm2      3.996

 ASSI {  370}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 28   and name  HA  ))
      3.783     0.757     0.757 peak   370 weight  1.00000E+00 volume  1.43323E+05 ppm1      7.876 ppm2      3.996

 ASSI {  225}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 6    and name  HB1 ))
      3.355     0.671     0.671 peak   225 weight  1.00000E+00 volume  1.65840E+05 ppm1      8.154 ppm2      1.712

 ASSI {  225}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.355     0.671     0.671 peak   225 weight  1.00000E+00 volume  1.65840E+05 ppm1      8.154 ppm2      1.712

 ASSI {  347}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.226     0.845     0.845 peak   347 weight  1.00000E+00 volume  4.64054E+04 ppm1      8.226 ppm2      8.971

 ASSI {  347}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 21   and name  HN  ))
      4.226     0.845     0.845 peak   347 weight  1.00000E+00 volume  4.64054E+04 ppm1      8.226 ppm2      8.971

 ASSI {  290}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 28   and name  HA  ))
      4.131     0.826     0.826 peak   290 weight  1.00000E+00 volume  7.44844E+04 ppm1      7.415 ppm2      4.009

 ASSI {  290}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      4.131     0.826     0.826 peak   290 weight  1.00000E+00 volume  7.44844E+04 ppm1      7.415 ppm2      4.009

 ASSI {  254}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      2.979     0.596     0.596 peak   254 weight  1.00000E+00 volume  3.58248E+05 ppm1      7.969 ppm2      8.463

 ASSI {  254}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 4    and name  HN  ))
      2.979     0.596     0.596 peak   254 weight  1.00000E+00 volume  3.58248E+05 ppm1      7.969 ppm2      8.463

 ASSI {  122}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 30   and name  HN  ))
      3.027     0.605     0.605 peak   122 weight  1.00000E+00 volume  1.81736E+05 ppm1      7.758 ppm2      4.269

 ASSI {  122}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.027     0.605     0.605 peak   122 weight  1.00000E+00 volume  1.81736E+05 ppm1      7.758 ppm2      4.269
!31HA

 ASSI {  281}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.120     0.624     0.624 peak   281 weight  1.00000E+00 volume  3.87753E+05 ppm1      8.776 ppm2      8.201

 ASSI {  281}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.120     0.624     0.624 peak   281 weight  1.00000E+00 volume  3.87753E+05 ppm1      8.776 ppm2      8.201

 ASSI {  248}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      2.939     0.588     0.588 peak   248 weight  1.00000E+00 volume  4.89189E+05 ppm1      7.968 ppm2      2.355

 ASSI {  248}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 5    and name  HG2 ))
      2.939     0.588     0.588 peak   248 weight  1.00000E+00 volume  4.89189E+05 ppm1      7.968 ppm2      2.355

 ASSI {  152}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HB  ))
      3.405     0.681     0.681 peak   152 weight  1.00000E+00 volume  1.86930E+05 ppm1      7.873 ppm2      2.170

 ASSI {  152}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 31   and name  HB  ))
      3.405     0.681     0.681 peak   152 weight  1.00000E+00 volume  1.86930E+05 ppm1      7.873 ppm2      2.170

 ASSI {  196}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 17   and name  HN  ))
      4.137     0.827     0.827 peak   196 weight  1.00000E+00 volume  4.69438E+04 ppm1      8.971 ppm2      8.195

 ASSI {  196}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 17   and name  HN  ))
      4.137     0.827     0.827 peak   196 weight  1.00000E+00 volume  4.69438E+04 ppm1      8.971 ppm2      8.195

 ASSI {  181}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB2 ))
      2.788     0.558     0.558 peak   181 weight  1.00000E+00 volume  5.04391E+05 ppm1      7.967 ppm2      2.969

 ASSI {  181}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 22   and name  HB2 ))
      2.788     0.558     0.558 peak   181 weight  1.00000E+00 volume  5.04391E+05 ppm1      7.967 ppm2      2.969

! ASSI {  373}
!   (( segid "   B" and resid 32   and name  HN  ))
!   (( segid "   B" and resid 27   and name  HN  ))
!      3.320     0.964     0.964 peak   373 weight  1.00000E+00 volume  9.79485E+04 ppm1      8.036 ppm2      8.598

 ASSI {  167}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 26   and name  HG2 ))
      2.634     0.527     0.527 peak   167 weight  1.00000E+00 volume  7.00630E+05 ppm1      8.566 ppm2      2.081

 ASSI {  167}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HG2 ))
      2.634     0.527     0.527 peak   167 weight  1.00000E+00 volume  7.00630E+05 ppm1      8.566 ppm2      2.081
!29HB2

 ASSI {  148}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HA  ))
      3.122     0.624     0.624 peak   148 weight  1.00000E+00 volume  2.26651E+05 ppm1      7.970 ppm2      4.236

 ASSI {  148}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 5    and name  HA  ))
      3.122     0.624     0.624 peak   148 weight  1.00000E+00 volume  2.26651E+05 ppm1      7.970 ppm2      4.236

 ASSI {  171}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 25   and name  HN  ))
      3.421     0.684     0.684 peak   171 weight  1.00000E+00 volume  1.97576E+05 ppm1      7.950 ppm2      8.557

 ASSI {  171}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.421     0.684     0.684 peak   171 weight  1.00000E+00 volume  1.97576E+05 ppm1      7.950 ppm2      8.557
!26HN

 ASSI {  191}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.103     0.621     0.621 peak   191 weight  1.00000E+00 volume  3.05032E+05 ppm1      8.895 ppm2      8.210

 ASSI {  191}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.103     0.621     0.621 peak   191 weight  1.00000E+00 volume  3.05032E+05 ppm1      8.895 ppm2      8.210

 ASSI {  206}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 13   and name  HN  ))
      4.460     0.892     0.892 peak   206 weight  1.00000E+00 volume  1.46458E+05 ppm1      8.789 ppm2      9.017

 ASSI {  206}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 13   and name  HN  ))
      4.460     0.892     0.892 peak   206 weight  1.00000E+00 volume  1.46458E+05 ppm1      8.789 ppm2      9.017
!14HN

 ASSI {  348}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 22   and name  HA  ))
      3.721     0.744     0.744 peak   348 weight  1.00000E+00 volume  5.17551E+04 ppm1      8.223 ppm2      4.576

 ASSI {  348}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.721     0.744     0.744 peak   348 weight  1.00000E+00 volume  5.17551E+04 ppm1      8.223 ppm2      4.576

 ASSI {  153}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.584     0.917     0.917 peak   153 weight  1.00000E+00 volume  2.18596E+05 ppm1      7.873 ppm2      8.095

 ASSI {  153}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 32   and name  HN  ))
      3.584     0.917     0.917 peak   153 weight  1.00000E+00 volume  2.18596E+05 ppm1      7.873 ppm2      8.095
!9HN

 ASSI {  221}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      2.938     0.588     0.588 peak   221 weight  1.00000E+00 volume  1.97447E+05 ppm1      8.759 ppm2      2.244

 ASSI {  221}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 7    and name  HB2 ))
      2.938     0.588     0.588 peak   221 weight  1.00000E+00 volume  1.97447E+05 ppm1      8.759 ppm2      2.244

 ASSI {  228}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 4    and name  HN  ))
      3.212     0.642     0.642 peak   228 weight  1.00000E+00 volume  3.60320E+05 ppm1      8.420 ppm2      8.001

 ASSI {  228}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.212     0.642     0.642 peak   228 weight  1.00000E+00 volume  3.60320E+05 ppm1      8.420 ppm2      8.001

 ASSI {  341}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.660     0.732     0.732 peak   341 weight  1.00000E+00 volume  9.41998E+04 ppm1      8.973 ppm2      2.896

 ASSI {  341}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB2 ))
      3.660     0.732     0.732 peak   341 weight  1.00000E+00 volume  9.41998E+04 ppm1      8.973 ppm2      2.896
!21HN

 ASSI {  356}
   (( segid "   B" and resid 25   and name  HN  ))
   (  segid "   B" and resid 24   and name  HG12)
      3.109     0.622     0.622 peak   356 weight  1.00000E+00 volume  1.46492E+05 ppm1      7.885 ppm2      1.074

 ASSI {  356}
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 24   and name  HG12)
      3.109     0.622     0.622 peak   356 weight  1.00000E+00 volume  1.46492E+05 ppm1      7.885 ppm2      1.074
!20HD1#

 ASSI {  175}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 24   and name  HB  ))
      2.780     0.556     0.556 peak   175 weight  1.00000E+00 volume  5.16509E+05 ppm1      8.779 ppm2      2.348

 ASSI {  175}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB  ))
      2.780     0.556     0.556 peak   175 weight  1.00000E+00 volume  5.16509E+05 ppm1      8.779 ppm2      2.348

 ASSI {  241}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 15   and name  HN  ))
      3.188     0.638     0.638 peak   241 weight  1.00000E+00 volume  2.50381E+05 ppm1      8.461 ppm2      7.914

 ASSI {  241}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.188     0.638     0.638 peak   241 weight  1.00000E+00 volume  2.50381E+05 ppm1      8.461 ppm2      7.914

 ASSI {  275}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.399     0.680     0.680 peak   275 weight  1.00000E+00 volume  1.67919E+05 ppm1      7.964 ppm2      8.971

 ASSI {  275}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.399     0.680     0.680 peak   275 weight  1.00000E+00 volume  1.67919E+05 ppm1      7.964 ppm2      8.971

 ASSI {  125}
   (( segid "   B" and resid 27   and name  HA  ))
   (( segid "   B" and resid 27   and name  HN  ))
      3.098     0.620     0.620 peak   125 weight  1.00000E+00 volume  3.17710E+05 ppm1      8.567 ppm2      4.209

 ASSI {  125}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.098     0.620     0.620 peak   125 weight  1.00000E+00 volume  3.17710E+05 ppm1      8.567 ppm2      4.209

 ASSI {  291}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      2.958     0.592     0.592 peak   291 weight  1.00000E+00 volume  1.89879E+05 ppm1      7.761 ppm2      7.428

 ASSI {  291}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      2.958     0.592     0.592 peak   291 weight  1.00000E+00 volume  1.89879E+05 ppm1      7.761 ppm2      7.428

 ASSI {  204}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 14   and name  HN  ))
      4.365     0.873     0.873 peak   204 weight  1.00000E+00 volume  6.83601E+04 ppm1      9.040 ppm2      8.469

 ASSI {  204}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      4.365     0.873     0.873 peak   204 weight  1.00000E+00 volume  6.83601E+04 ppm1      9.040 ppm2      8.469

 ASSI {  296}
   (( segid "   B" and resid 2    and name  HN  ))
   (( segid "   B" and resid 5    and name  HG2 ))
      3.424     0.685     0.685 peak   296 weight  1.00000E+00 volume  2.48513E+05 ppm1      8.809 ppm2      2.356

 ASSI {  296}
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      3.424     0.685     0.685 peak   296 weight  1.00000E+00 volume  2.48513E+05 ppm1      8.809 ppm2      2.356
!21HB2

 ASSI {  318}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 10   and name  HN  ))
      3.786     0.757     0.757 peak   318 weight  1.00000E+00 volume  1.11434E+05 ppm1      8.525 ppm2      4.100

 ASSI {  318}
   (( segid "   B" and resid 7    and name  HA  ))
   (( segid "   B" and resid 10   and name  HN  ))
      3.786     0.757     0.757 peak   318 weight  1.00000E+00 volume  1.11434E+05 ppm1      8.525 ppm2      4.100

 ASSI {  222}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      3.265     0.653     0.653 peak   222 weight  1.00000E+00 volume  2.27169E+05 ppm1      8.762 ppm2      2.442

 ASSI {  222}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 7    and name  HB1 ))
      3.265     0.653     0.653 peak   222 weight  1.00000E+00 volume  2.27169E+05 ppm1      8.762 ppm2      2.442

 ASSI {  147}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.067     0.613     0.613 peak   147 weight  1.00000E+00 volume  2.24636E+05 ppm1      8.152 ppm2      4.305

 ASSI {  147}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.067     0.613     0.613 peak   147 weight  1.00000E+00 volume  2.24636E+05 ppm1      8.152 ppm2      4.305

 ASSI {  160}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.333     0.667     0.667 peak   160 weight  1.00000E+00 volume  6.22291E+04 ppm1      7.414 ppm2      7.717

 ASSI {  160}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.333     0.667     0.667 peak   160 weight  1.00000E+00 volume  6.22291E+04 ppm1      7.414 ppm2      7.717

 ASSI {  234}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      3.655     0.731     0.731 peak   234 weight  1.00000E+00 volume  1.35584E+05 ppm1      8.895 ppm2      1.460

 ASSI {  234}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 20   and name  HB2 ))
      3.655     0.731     0.731 peak   234 weight  1.00000E+00 volume  1.35584E+05 ppm1      8.895 ppm2      1.460

 ASSI {  177}
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 24   and name  HN  ))
      3.145     0.629     0.629 peak   177 weight  1.00000E+00 volume  2.03782E+05 ppm1      8.781 ppm2      7.911

 ASSI {  177}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.145     0.629     0.629 peak   177 weight  1.00000E+00 volume  2.03782E+05 ppm1      8.781 ppm2      7.911

 ASSI {  231}
   (( segid "   B" and resid 4    and name  HN  ))
   (( segid "   B" and resid 3    and name  HN  ))
      3.526     0.705     0.705 peak   231 weight  1.00000E+00 volume  2.13870E+05 ppm1      9.070 ppm2      8.458

 ASSI {  231}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 3    and name  HN  ))
      3.526     0.705     0.705 peak   231 weight  1.00000E+00 volume  2.13870E+05 ppm1      9.070 ppm2      8.458

 ASSI {  184}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.380     0.676     0.676 peak   184 weight  1.00000E+00 volume  1.34557E+05 ppm1      8.975 ppm2      7.997

 ASSI {  184}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.380     0.676     0.676 peak   184 weight  1.00000E+00 volume  1.34557E+05 ppm1      8.975 ppm2      7.997

 ASSI {  190}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB2 ))
      3.452     0.690     0.690 peak   190 weight  1.00000E+00 volume  1.31023E+05 ppm1      8.221 ppm2      2.098

 ASSI {  190}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 23   and name  HB2 ))
      3.452     0.690     0.690 peak   190 weight  1.00000E+00 volume  1.31023E+05 ppm1      8.221 ppm2      2.098

 ASSI {  305}
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 3    and name  HN  ))
      3.823     0.965     0.965 peak   305 weight  1.00000E+00 volume  1.50251E+05 ppm1      9.069 ppm2      4.092

 ASSI {  305}
   (( segid "   B" and resid 2    and name  HA  ))
   (( segid "   B" and resid 3    and name  HN  ))
      3.823     0.965     0.965 peak   305 weight  1.00000E+00 volume  1.50251E+05 ppm1      9.069 ppm2      4.092

 ASSI {  338}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.468     0.994     0.994 peak   338 weight  1.00000E+00 volume  1.18637E+05 ppm1      8.978 ppm2      8.472

 ASSI {  338}
   (( segid "   B" and resid 21   and name  HN  ))
   (( segid "   B" and resid 18   and name  HN  ))
      3.468     0.994     0.994 peak   338 weight  1.00000E+00 volume  1.18637E+05 ppm1      8.978 ppm2      8.472

! ASSI {  334}
!   (( segid "   B" and resid 18   and name  HN  ))
!   (( segid "   B" and resid 7    and name  HN  ))
!      4.476     0.895     0.895 peak   334 weight  1.00000E+00 volume  1.08702E+05 ppm1      8.463 ppm2      8.737

 ASSI {  332}
   (( segid "   A" and resid 15   and name  HN  ))
   (  segid "   A" and resid 14   and name  HD1#)
      4.010     0.802     0.802 peak   332 weight  1.00000E+00 volume  8.74620E+04 ppm1      7.902 ppm2      1.075

 ASSI {  332}
   (( segid "   B" and resid 15   and name  HN  ))
   (  segid "   B" and resid 14   and name  HD1#)
      4.010     0.802     0.802 peak   332 weight  1.00000E+00 volume  8.74620E+04 ppm1      7.902 ppm2      1.075

 ASSI {  292}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HD2 ))
      3.264     0.653     0.653 peak   292 weight  1.00000E+00 volume  2.68751E+05 ppm1      7.758 ppm2      1.081

 ASSI {  292}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 29   and name  HD2 ))
      3.264     0.653     0.653 peak   292 weight  1.00000E+00 volume  2.68751E+05 ppm1      7.758 ppm2      1.081
!28HD2

 ASSI {  251}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 9    and name  HA  ))
      3.496     0.699     0.699 peak   251 weight  1.00000E+00 volume  1.54144E+05 ppm1      8.418 ppm2      4.357

 ASSI {  251}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.496     0.699     0.699 peak   251 weight  1.00000E+00 volume  1.54144E+05 ppm1      8.418 ppm2      4.357
!3HA

 ASSI {  240}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB1 ))
      3.249     0.650     0.650 peak   240 weight  1.00000E+00 volume  2.53108E+05 ppm1      8.964 ppm2      3.442

 ASSI {  240}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.249     0.650     0.650 peak   240 weight  1.00000E+00 volume  2.53108E+05 ppm1      8.964 ppm2      3.442

 ASSI {  123}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 29   and name  HA  ))
      3.011     0.602     0.602 peak   123 weight  1.00000E+00 volume  3.12541E+05 ppm1      7.416 ppm2      4.243

 ASSI {  123}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))
      3.011     0.602     0.602 peak   123 weight  1.00000E+00 volume  3.12541E+05 ppm1      7.416 ppm2      4.243

 ASSI {  273}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.520     0.704     0.704 peak   273 weight  1.00000E+00 volume  1.16300E+05 ppm1      8.896 ppm2      4.537

 ASSI {  273}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 19   and name  HA  ))
      3.520     0.704     0.704 peak   273 weight  1.00000E+00 volume  1.16300E+05 ppm1      8.896 ppm2      4.537

 ASSI {  189}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HG2 ))
      2.674     0.535     0.535 peak   189 weight  1.00000E+00 volume  4.81203E+05 ppm1      7.948 ppm2      2.084

 ASSI {  189}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 26   and name  HG2 ))
      2.674     0.535     0.535 peak   189 weight  1.00000E+00 volume  4.81203E+05 ppm1      7.948 ppm2      2.084

 ASSI {  325}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 9    and name  HA  ))
      3.732     0.746     0.746 peak   325 weight  1.00000E+00 volume  8.06698E+04 ppm1      8.790 ppm2      4.334

 ASSI {  325}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.732     0.746     0.746 peak   325 weight  1.00000E+00 volume  8.06698E+04 ppm1      8.790 ppm2      4.334

 ASSI {  193}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      2.930     0.586     0.586 peak   193 weight  1.00000E+00 volume  5.50767E+05 ppm1      8.462 ppm2      8.188

 ASSI {  193}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 18   and name  HN  ))
      2.930     0.586     0.586 peak   193 weight  1.00000E+00 volume  5.50767E+05 ppm1      8.462 ppm2      8.188

 ASSI {  252}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB1 ))
      3.153     0.631     0.631 peak   252 weight  1.00000E+00 volume  2.28487E+05 ppm1      8.421 ppm2      2.280

 ASSI {  252}
   (( segid "   B" and resid 4    and name  HN  ))
   (( segid "   B" and resid 4    and name  HB1 ))
      3.153     0.631     0.631 peak   252 weight  1.00000E+00 volume  2.28487E+05 ppm1      8.421 ppm2      2.280

 ASSI {  336}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB2 ))
      3.298     0.660     0.660 peak   336 weight  1.00000E+00 volume  1.99063E+05 ppm1      8.466 ppm2      2.896

 ASSI {  336}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.298     0.660     0.660 peak   336 weight  1.00000E+00 volume  1.99063E+05 ppm1      8.466 ppm2      2.896

 ASSI {  256}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.322     0.664     0.664 peak   256 weight  1.00000E+00 volume  2.14394E+05 ppm1      8.762 ppm2      8.183

 ASSI {  256}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.322     0.664     0.664 peak   256 weight  1.00000E+00 volume  2.14394E+05 ppm1      8.762 ppm2      8.183

 ASSI {  337}
   (( segid "   A" and resid 20   and name  HN  ))
   (  segid "   A" and resid 16   and name  HD1#)
      3.197     0.639     0.639 peak   337 weight  1.00000E+00 volume  2.07742E+05 ppm1      8.894 ppm2      1.083

 ASSI {  337}
   (( segid "   B" and resid 20   and name  HN  ))
   (  segid "   B" and resid 16   and name  HD1#)
      3.197     0.639     0.639 peak   337 weight  1.00000E+00 volume  2.07742E+05 ppm1      8.894 ppm2      1.083
!14HD1#, 20HD1

 ASSI {  186}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.955     0.591     0.591 peak   186 weight  1.00000E+00 volume  2.92716E+05 ppm1      7.761 ppm2      1.815

 ASSI {  186}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      2.955     0.591     0.591 peak   186 weight  1.00000E+00 volume  2.92716E+05 ppm1      7.761 ppm2      1.815

 ASSI {  265}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HG  ))
      3.060     0.612     0.612 peak   265 weight  1.00000E+00 volume  2.39902E+05 ppm1      8.789 ppm2      2.087

 ASSI {  265}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HG  ))
      3.060     0.612     0.612 peak   265 weight  1.00000E+00 volume  2.39902E+05 ppm1      8.789 ppm2      2.087

 ASSI {  245}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HB1 ))
      3.654     0.731     0.731 peak   245 weight  1.00000E+00 volume  1.00874E+05 ppm1      8.790 ppm2      1.437

 ASSI {  245}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      3.654     0.731     0.731 peak   245 weight  1.00000E+00 volume  1.00874E+05 ppm1      8.790 ppm2      1.437

 ASSI {  165}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HG  ))
      2.897     0.579     0.579 peak   165 weight  1.00000E+00 volume  4.44342E+05 ppm1      7.761 ppm2      2.135

 ASSI {  165}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HG  ))
      2.897     0.579     0.579 peak   165 weight  1.00000E+00 volume  4.44342E+05 ppm1      7.761 ppm2      2.135

 ASSI {  212}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 10   and name  HN  ))
      2.977     0.595     0.595 peak   212 weight  1.00000E+00 volume  6.49000E+04 ppm1      8.521 ppm2      7.989

 ASSI {  212}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      2.977     0.595     0.595 peak   212 weight  1.00000E+00 volume  6.49000E+04 ppm1      8.521 ppm2      7.989

 ASSI {    2}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))
      2.980     0.596     0.596 peak     2 weight  1.00000E+00 volume  2.77860E+05 ppm1      7.875 ppm2      4.247

 ASSI {    2}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 31   and name  HA  ))
      2.980     0.596     0.596 peak     2 weight  1.00000E+00 volume  2.77860E+05 ppm1      7.875 ppm2      4.247

 ASSI {  131}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.338     0.668     0.668 peak   131 weight  1.00000E+00 volume  1.18427E+05 ppm1      8.979 ppm2      4.153

 ASSI {  131}
   (( segid "   B" and resid 21   and name  HA  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.338     0.668     0.668 peak   131 weight  1.00000E+00 volume  1.18427E+05 ppm1      8.979 ppm2      4.153

 ASSI {  188}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      3.455     0.691     0.691 peak   188 weight  1.00000E+00 volume  1.67383E+05 ppm1      8.923 ppm2      1.448

 ASSI {  188}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      3.455     0.691     0.691 peak   188 weight  1.00000E+00 volume  1.67383E+05 ppm1      8.923 ppm2      1.448

 ASSI {  205}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.323     0.665     0.665 peak   205 weight  1.00000E+00 volume  1.68700E+05 ppm1      8.789 ppm2      4.181

 ASSI {  205}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 13   and name  HN  ))
      3.323     0.665     0.665 peak   205 weight  1.00000E+00 volume  1.68700E+05 ppm1      8.789 ppm2      4.181

! ASSI {  135}
!   (( segid "   B" and resid 19   and name  HA  ))
!   (( segid "   B" and resid 17   and name  HN  ))
!      3.336     0.667     0.667 peak   135 weight  1.00000E+00 volume  1.85617E+05 ppm1      8.966 ppm2      4.504
!18HA

 ASSI {  140}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      2.907     0.581     0.581 peak   140 weight  1.00000E+00 volume  2.59532E+05 ppm1      8.355 ppm2      4.288

 ASSI {  140}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 12   and name  HN  ))
      2.907     0.581     0.581 peak   140 weight  1.00000E+00 volume  2.59532E+05 ppm1      8.355 ppm2      4.288

 ASSI {  244}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      2.995     0.599     0.599 peak   244 weight  1.00000E+00 volume  2.41046E+05 ppm1      9.039 ppm2      2.072

 ASSI {  244}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 14   and name  HB2 ))
      2.995     0.599     0.599 peak   244 weight  1.00000E+00 volume  2.41046E+05 ppm1      9.039 ppm2      2.072

 ASSI {  266}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HB1 ))
      3.008     0.602     0.602 peak   266 weight  1.00000E+00 volume  2.10493E+05 ppm1      8.789 ppm2      2.269

 ASSI {  266}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      3.008     0.602     0.602 peak   266 weight  1.00000E+00 volume  2.10493E+05 ppm1      8.789 ppm2      2.269

 ASSI {  174}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 25   and name  HN  ))
      2.188     0.438     0.438 peak   174 weight  1.00000E+00 volume  2.28088E+06 ppm1      7.887 ppm2      7.938

 ASSI {  174}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HN  ))
      2.188     0.438     0.438 peak   174 weight  1.00000E+00 volume  2.28088E+06 ppm1      7.887 ppm2      7.938

 ASSI {  166}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.816     0.563     0.563 peak   166 weight  1.00000E+00 volume  3.01568E+05 ppm1      7.763 ppm2      1.908

 ASSI {  166}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      2.816     0.563     0.563 peak   166 weight  1.00000E+00 volume  3.01568E+05 ppm1      7.763 ppm2      1.908
!16HB2

 ASSI {  329}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 22   and name  HN  ))
      3.539     0.908     0.908 peak   329 weight  1.00000E+00 volume  1.51591E+05 ppm1      7.899 ppm2      8.198

 ASSI {  329}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.539     0.908     0.908 peak   329 weight  1.00000E+00 volume  1.51591E+05 ppm1      7.899 ppm2      8.198
!15HN

 ASSI {  144}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.102     0.620     0.620 peak   144 weight  1.00000E+00 volume  2.50561E+05 ppm1      8.143 ppm2      4.331

 ASSI {  144}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.102     0.620     0.620 peak   144 weight  1.00000E+00 volume  2.50561E+05 ppm1      8.143 ppm2      4.331

 ASSI {  132}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.314     0.663     0.663 peak   132 weight  1.00000E+00 volume  1.89247E+05 ppm1      8.896 ppm2      4.266

 ASSI {  132}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HN  ))
      3.314     0.663     0.663 peak   132 weight  1.00000E+00 volume  1.89247E+05 ppm1      8.896 ppm2      4.266

 ASSI {  340}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.826     0.765     0.765 peak   340 weight  1.00000E+00 volume  8.86994E+04 ppm1      8.978 ppm2      4.529

 ASSI {  340}
   (( segid "   B" and resid 21   and name  HN  ))
   (( segid "   B" and resid 19   and name  HA  ))
      3.826     0.765     0.765 peak   340 weight  1.00000E+00 volume  8.86994E+04 ppm1      8.978 ppm2      4.529

 ASSI {  136}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 12   and name  HA  ))
      2.914     0.583     0.583 peak   136 weight  1.00000E+00 volume  2.65520E+05 ppm1      8.464 ppm2      4.322

 ASSI {  136}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      2.914     0.583     0.583 peak   136 weight  1.00000E+00 volume  2.65520E+05 ppm1      8.464 ppm2      4.322

 ASSI {  141}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.219     0.644     0.644 peak   141 weight  1.00000E+00 volume  1.23192E+05 ppm1      8.022 ppm2      4.197

 ASSI {  141}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.219     0.644     0.644 peak   141 weight  1.00000E+00 volume  1.23192E+05 ppm1      8.022 ppm2      4.197

 ASSI {  236}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HG  ))
      3.292     0.658     0.658 peak   236 weight  1.00000E+00 volume  2.89183E+05 ppm1      8.893 ppm2      2.084

 ASSI {  236}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 20   and name  HG  ))
      3.292     0.658     0.658 peak   236 weight  1.00000E+00 volume  2.89183E+05 ppm1      8.893 ppm2      2.084

 ASSI {  150}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HN  ))
      3.011     0.602     0.602 peak   150 weight  1.00000E+00 volume  4.30044E+05 ppm1      9.070 ppm2      4.322

 ASSI {  150}
   (( segid "   B" and resid 3    and name  HA  ))
   (( segid "   B" and resid 3    and name  HN  ))
      3.011     0.602     0.602 peak   150 weight  1.00000E+00 volume  4.30044E+05 ppm1      9.070 ppm2      4.322
!12HA

 ASSI {  319}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HA  ))
      3.743     0.749     0.749 peak   319 weight  1.00000E+00 volume  8.27812E+04 ppm1      8.525 ppm2      4.339

 ASSI {  319}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.743     0.749     0.749 peak   319 weight  1.00000E+00 volume  8.27812E+04 ppm1      8.525 ppm2      4.339

 ASSI {  320}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 11   and name  HG1 ))
      3.003     0.601     0.601 peak   320 weight  1.00000E+00 volume  3.51845E+05 ppm1      8.522 ppm2      2.443

 ASSI {  320}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG1 ))
      3.003     0.601     0.601 peak   320 weight  1.00000E+00 volume  3.51845E+05 ppm1      8.522 ppm2      2.443
!7HB1

 ASSI {  335}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HA  ))
      3.819     0.764     0.764 peak   335 weight  1.00000E+00 volume  6.16577E+04 ppm1      8.460 ppm2      4.185

 ASSI {  335}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HA  ))
      3.819     0.764     0.764 peak   335 weight  1.00000E+00 volume  6.16577E+04 ppm1      8.460 ppm2      4.185

 ASSI {  213}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.408     0.682     0.682 peak   213 weight  1.00000E+00 volume  3.27585E+05 ppm1      8.141 ppm2      8.549

 ASSI {  213}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.408     0.682     0.682 peak   213 weight  1.00000E+00 volume  3.27585E+05 ppm1      8.141 ppm2      8.549

 ASSI {  267}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      3.317     0.663     0.663 peak   267 weight  1.00000E+00 volume  1.51152E+05 ppm1      9.039 ppm2      1.636

 ASSI {  267}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 14   and name  HB1 ))
      3.317     0.663     0.663 peak   267 weight  1.00000E+00 volume  1.51152E+05 ppm1      9.039 ppm2      1.636

 ASSI {  238}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB2 ))
      3.084     0.617     0.617 peak   238 weight  1.00000E+00 volume  2.22681E+05 ppm1      8.189 ppm2      3.361

 ASSI {  238}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 18   and name  HB2 ))
      3.084     0.617     0.617 peak   238 weight  1.00000E+00 volume  2.22681E+05 ppm1      8.189 ppm2      3.361

 ASSI {  258}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 9    and name  HB1 ))
      2.856     0.571     0.571 peak   258 weight  1.00000E+00 volume  3.25618E+05 ppm1      8.141 ppm2      2.255

 ASSI {  258}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 9    and name  HB1 ))
      2.856     0.571     0.571 peak   258 weight  1.00000E+00 volume  3.25618E+05 ppm1      8.141 ppm2      2.255

! ASSI {  346}
!   (( segid "   A" and resid 23   and name  HN  ))
!   (( segid "   A" and resid 18   and name  HN  ))
!      3.774     0.755     0.755 peak   346 weight  1.00000E+00 volume  1.08151E+05 ppm1      8.220 ppm2      8.459

 ASSI {  277}
   (( segid "   B" and resid 21   and name  HA  ))
   (( segid "   B" and resid 22   and name  HN  ))
      3.833     0.767     0.767 peak   277 weight  1.00000E+00 volume  1.03389E+05 ppm1      7.966 ppm2      4.181

 ASSI {  277}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.833     0.767     0.767 peak   277 weight  1.00000E+00 volume  1.03389E+05 ppm1      7.966 ppm2      4.181
!25HA

 ASSI {  169}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB2 ))
      3.781     0.956     0.956 peak   169 weight  1.00000E+00 volume  1.08332E+05 ppm1      8.569 ppm2      1.735

 ASSI {  169}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      3.781     0.956     0.956 peak   169 weight  1.00000E+00 volume  1.08332E+05 ppm1      8.569 ppm2      1.735

 ASSI {  253}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      2.920     0.584     0.584 peak   253 weight  1.00000E+00 volume  2.29476E+05 ppm1      7.966 ppm2      1.982

 ASSI {  253}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 5    and name  HB2 ))
      2.920     0.584     0.584 peak   253 weight  1.00000E+00 volume  2.29476E+05 ppm1      7.966 ppm2      1.982

 ASSI {  142}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 10   and name  HA  ))
      3.561     0.712     0.712 peak   142 weight  1.00000E+00 volume  8.04979E+04 ppm1      8.529 ppm2      3.586

 ASSI {  142}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.561     0.712     0.712 peak   142 weight  1.00000E+00 volume  8.04979E+04 ppm1      8.529 ppm2      3.586

 ASSI {  286}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      3.018     0.604     0.604 peak   286 weight  1.00000E+00 volume  2.84914E+05 ppm1      7.948 ppm2      1.703

 ASSI {  286}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB2 ))
      3.018     0.604     0.604 peak   286 weight  1.00000E+00 volume  2.84914E+05 ppm1      7.948 ppm2      1.703

 ASSI {  246}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG2 ))
      2.699     0.540     0.540 peak   246 weight  1.00000E+00 volume  6.77954E+05 ppm1      8.019 ppm2      2.436

 ASSI {  246}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HG2 ))
      2.699     0.540     0.540 peak   246 weight  1.00000E+00 volume  6.77954E+05 ppm1      8.019 ppm2      2.436

 ASSI {  127}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 25   and name  HN  ))
      3.025     0.605     0.605 peak   127 weight  1.00000E+00 volume  3.31498E+05 ppm1      7.888 ppm2      4.179

 ASSI {  127}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.025     0.605     0.605 peak   127 weight  1.00000E+00 volume  3.31498E+05 ppm1      7.888 ppm2      4.179

 ASSI {  343}
   (( segid "   A" and resid 21   and name  HN  ))
   (  segid "   A" and resid 24   and name  HD1#)
      3.311     0.662     0.662 peak   343 weight  1.00000E+00 volume  7.86129E+04 ppm1      8.973 ppm2      1.100

 ASSI {  343}
   (( segid "   B" and resid 21   and name  HN  ))
   (  segid "   B" and resid 24   and name  HD1#)
      3.311     0.662     0.662 peak   343 weight  1.00000E+00 volume  7.86129E+04 ppm1      8.973 ppm2      1.100
!20HD1

 ASSI {  264}
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.114     0.623     0.623 peak   264 weight  1.00000E+00 volume  2.20166E+05 ppm1      8.787 ppm2      1.074

 ASSI {  264}
   (( segid "   B" and resid 13   and name  HN  ))
   (  segid "   B" and resid 13   and name  HD1#)
      3.114     0.623     0.623 peak   264 weight  1.00000E+00 volume  2.20166E+05 ppm1      8.787 ppm2      1.074

 ASSI {  180}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.263     0.653     0.653 peak   180 weight  1.00000E+00 volume  2.50716E+05 ppm1      8.220 ppm2      8.823

 ASSI {  180}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.263     0.653     0.653 peak   180 weight  1.00000E+00 volume  2.50716E+05 ppm1      8.220 ppm2      8.823

 ASSI {  271}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.364     0.673     0.673 peak   271 weight  1.00000E+00 volume  3.40312E+05 ppm1      8.190 ppm2      8.460

 ASSI {  271}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 18   and name  HN  ))
      3.364     0.673     0.673 peak   271 weight  1.00000E+00 volume  3.40312E+05 ppm1      8.190 ppm2      8.460

 ASSI {  223}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 6    and name  HN  ))
      4.167     0.833     0.833 peak   223 weight  1.00000E+00 volume  1.59880E+05 ppm1      8.156 ppm2      8.744

 ASSI {  223}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      4.167     0.833     0.833 peak   223 weight  1.00000E+00 volume  1.59880E+05 ppm1      8.156 ppm2      8.744

 ASSI {  126}
   (( segid "   B" and resid 26   and name  HA  ))
   (( segid "   B" and resid 26   and name  HN  ))
      2.813     0.563     0.563 peak   126 weight  1.00000E+00 volume  3.66061E+05 ppm1      7.948 ppm2      4.217

 ASSI {  126}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HN  ))
      2.813     0.563     0.563 peak   126 weight  1.00000E+00 volume  3.66061E+05 ppm1      7.948 ppm2      4.217

 ASSI {  162}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 28   and name  HN  ))
      3.380     0.676     0.676 peak   162 weight  1.00000E+00 volume  1.60648E+05 ppm1      8.920 ppm2      7.450

 ASSI {  162}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.380     0.676     0.676 peak   162 weight  1.00000E+00 volume  1.60648E+05 ppm1      8.920 ppm2      7.450

 ASSI {  227}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.026     0.605     0.605 peak   227 weight  1.00000E+00 volume  2.44214E+05 ppm1      8.418 ppm2      4.176

 ASSI {  227}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 12   and name  HN  ))
      3.026     0.605     0.605 peak   227 weight  1.00000E+00 volume  2.44214E+05 ppm1      8.418 ppm2      4.176
!4HA

 ASSI {  288}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      2.986     0.597     0.597 peak   288 weight  1.00000E+00 volume  2.84024E+05 ppm1      8.568 ppm2      1.068

 ASSI {  288}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      2.986     0.597     0.597 peak   288 weight  1.00000E+00 volume  2.84024E+05 ppm1      8.568 ppm2      1.068
!28HD2

 ASSI {  376}
   (( segid "   B" and resid 32   and name  HN  ))
   (  segid "   B" and resid 31   and name  HG1#)
      3.452     0.690     0.690 peak   376 weight  1.00000E+00 volume  1.12259E+05 ppm1      8.039 ppm2      1.119

 ASSI {  376}
   (( segid "   A" and resid 32   and name  HN  ))
   (  segid "   A" and resid 31   and name  HG1#)
      3.452     0.690     0.690 peak   376 weight  1.00000E+00 volume  1.12259E+05 ppm1      8.039 ppm2      1.119

 ASSI {  283}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      4.003     0.801     0.801 peak   283 weight  1.00000E+00 volume  2.05582E+05 ppm1      7.953 ppm2      8.198

 ASSI {  283}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      4.003     0.801     0.801 peak   283 weight  1.00000E+00 volume  2.05582E+05 ppm1      7.953 ppm2      8.198

 ASSI {  215}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 9    and name  HB2 ))
      3.800     0.760     0.760 peak   215 weight  1.00000E+00 volume  8.02170E+04 ppm1      8.143 ppm2      1.722

 ASSI {  215}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 9    and name  HB2 ))
      3.800     0.760     0.760 peak   215 weight  1.00000E+00 volume  8.02170E+04 ppm1      8.143 ppm2      1.722

 ASSI {  289}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.372     0.674     0.674 peak   289 weight  1.00000E+00 volume  2.15594E+05 ppm1      8.922 ppm2      8.563

 ASSI {  289}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 27   and name  HN  ))
      3.372     0.674     0.674 peak   289 weight  1.00000E+00 volume  2.15594E+05 ppm1      8.922 ppm2      8.563

 ASSI {  362}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 28   and name  HN  ))
      4.072     0.814     0.814 peak   362 weight  1.00000E+00 volume  1.76130E+05 ppm1      7.416 ppm2      8.929

 ASSI {  362}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HN  ))
      4.072     0.814     0.814 peak   362 weight  1.00000E+00 volume  1.76130E+05 ppm1      7.416 ppm2      8.929

 ASSI {  200}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))
      2.727     0.545     0.545 peak   200 weight  1.00000E+00 volume  5.34185E+05 ppm1      7.895 ppm2      4.237

 ASSI {  200}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 15   and name  HA  ))
      2.727     0.545     0.545 peak   200 weight  1.00000E+00 volume  5.34185E+05 ppm1      7.895 ppm2      4.237

 ASSI {  350}
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 24   and name  HD1#)
      3.434     0.687     0.687 peak   350 weight  1.00000E+00 volume  1.17041E+05 ppm1      8.220 ppm2      1.105

 ASSI {  350}
   (( segid "   B" and resid 23   and name  HN  ))
   (  segid "   B" and resid 24   and name  HD1#)
      3.434     0.687     0.687 peak   350 weight  1.00000E+00 volume  1.17041E+05 ppm1      8.220 ppm2      1.105
!20HD1

 ASSI {  187}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 28   and name  HA  ))
      3.476     0.695     0.695 peak   187 weight  1.00000E+00 volume  1.63450E+05 ppm1      8.925 ppm2      4.001

 ASSI {  187}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.476     0.695     0.695 peak   187 weight  1.00000E+00 volume  1.63450E+05 ppm1      8.925 ppm2      4.001

 ASSI {  233}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 3    and name  HA  ))
      3.011     0.602     0.602 peak   233 weight  1.00000E+00 volume  4.30044E+05 ppm1      9.070 ppm2      4.350

 ASSI {  233}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 3    and name  HA  ))
      3.011     0.602     0.602 peak   233 weight  1.00000E+00 volume  4.30044E+05 ppm1      9.070 ppm2      4.350

 ASSI {  310}
   (( segid "   A" and resid 7    and name  HN  ))
   (  segid "   A" and resid 10   and name  HG2#)
      3.510     0.702     0.702 peak   310 weight  1.00000E+00 volume  9.07503E+04 ppm1      8.759 ppm2      1.077

 ASSI {  310}
   (( segid "   B" and resid 7    and name  HN  ))
   (  segid "   B" and resid 10   and name  HG2#)
      3.510     0.702     0.702 peak   310 weight  1.00000E+00 volume  9.07503E+04 ppm1      8.759 ppm2      1.077

! ASSI {  313}
!   (( segid "   A" and resid 15   and name  HN  ))
!   (( segid "   A" and resid 9    and name  HN  ))
!      4.016     0.803     0.803 peak   313 weight  1.00000E+00 volume  1.39375E+05 ppm1      8.142 ppm2      7.926

 ASSI {  161}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.860     0.772     0.772 peak   161 weight  1.00000E+00 volume  2.14327E+05 ppm1      7.416 ppm2      7.834

 ASSI {  161}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.860     0.772     0.772 peak   161 weight  1.00000E+00 volume  2.14327E+05 ppm1      7.416 ppm2      7.834

 ASSI {  208}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.003     0.601     0.601 peak   208 weight  1.00000E+00 volume  1.89032E+05 ppm1      8.018 ppm2      8.368

 ASSI {  208}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.003     0.601     0.601 peak   208 weight  1.00000E+00 volume  1.89032E+05 ppm1      8.018 ppm2      8.368

 ASSI {  226}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.735     0.747     0.747 peak   226 weight  1.00000E+00 volume  2.69408E+05 ppm1      7.968 ppm2      8.180

 ASSI {  226}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.735     0.747     0.747 peak   226 weight  1.00000E+00 volume  2.69408E+05 ppm1      7.968 ppm2      8.180

 ASSI {  315}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 7    and name  HN  ))
      3.952     0.990     0.990 peak   315 weight  1.00000E+00 volume  5.92969E+04 ppm1      8.525 ppm2      8.736

 ASSI {  315}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.952     0.990     0.990 peak   315 weight  1.00000E+00 volume  5.92969E+04 ppm1      8.525 ppm2      8.736

 ASSI {  218}
   (( segid "   B" and resid 8    and name  HN  ))
   (( segid "   B" and resid 7    and name  HB2 ))
      3.050     0.610     0.610 peak   218 weight  1.00000E+00 volume  2.29519E+05 ppm1      8.524 ppm2      2.275

 ASSI {  218}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.050     0.610     0.610 peak   218 weight  1.00000E+00 volume  2.29519E+05 ppm1      8.524 ppm2      2.275
!4HB2

 ASSI {  157}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 29   and name  HB2 ))
      2.676     0.535     0.535 peak   157 weight  1.00000E+00 volume  5.94078E+05 ppm1      7.416 ppm2      2.082

 ASSI {  157}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HB2 ))
      2.676     0.535     0.535 peak   157 weight  1.00000E+00 volume  5.94078E+05 ppm1      7.416 ppm2      2.082

 ASSI {  192}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.632     0.726     0.726 peak   192 weight  1.00000E+00 volume  1.28512E+05 ppm1      8.188 ppm2      8.910

 ASSI {  192}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.632     0.726     0.726 peak   192 weight  1.00000E+00 volume  1.28512E+05 ppm1      8.188 ppm2      8.910

 ASSI {  203}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.251     0.650     0.650 peak   203 weight  1.00000E+00 volume  1.79887E+05 ppm1      9.040 ppm2      7.915

 ASSI {  203}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 14   and name  HN  ))
      3.251     0.650     0.650 peak   203 weight  1.00000E+00 volume  1.79887E+05 ppm1      9.040 ppm2      7.915

 ASSI {  259}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 9    and name  HD2 ))
      3.994     0.799     0.799 peak   259 weight  1.00000E+00 volume  3.85170E+04 ppm1      8.147 ppm2      1.160

 ASSI {  259}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 9    and name  HD2 ))
      3.994     0.799     0.799 peak   259 weight  1.00000E+00 volume  3.85170E+04 ppm1      8.147 ppm2      1.160

 ASSI {  202}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 15   and name  HN  ))
      3.504     0.701     0.701 peak   202 weight  1.00000E+00 volume  2.65682E+05 ppm1      7.895 ppm2      8.462

 ASSI {  202}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.504     0.701     0.701 peak   202 weight  1.00000E+00 volume  2.65682E+05 ppm1      7.895 ppm2      8.462

 ASSI {  369}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.884     0.777     0.777 peak   369 weight  1.00000E+00 volume  2.28684E+05 ppm1      7.873 ppm2      7.462

 ASSI {  369}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.884     0.777     0.777 peak   369 weight  1.00000E+00 volume  2.28684E+05 ppm1      7.873 ppm2      7.462

 ASSI {  149}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.053     0.611     0.611 peak   149 weight  1.00000E+00 volume  2.35577E+05 ppm1      8.420 ppm2      4.223

 ASSI {  149}
   (( segid "   B" and resid 4    and name  HA  ))
   (( segid "   B" and resid 4    and name  HN  ))
      3.053     0.611     0.611 peak   149 weight  1.00000E+00 volume  2.35577E+05 ppm1      8.420 ppm2      4.223
!11HA

! ASSI {  317}
!   (( segid "   A" and resid 30   and name  HN  ))
!   (( segid "   B" and resid 10   and name  HN  ))
!      4.994     0.999     0.999 peak   317 weight  1.00000E+00 volume  7.59005E+04 ppm1      8.522 ppm2      7.738

 ASSI {  295}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.017     0.603     0.603 peak   295 weight  1.00000E+00 volume  2.49127E+05 ppm1      8.355 ppm2      8.020

 ASSI {  295}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.017     0.603     0.603 peak   295 weight  1.00000E+00 volume  2.49127E+05 ppm1      8.355 ppm2      8.020

 ASSI {  173}
   (( segid "   B" and resid 25   and name  HN  ))
   (  segid "   B" and resid 25   and name  HB# )
      2.703     0.541     0.541 peak   173 weight  1.00000E+00 volume  4.35955E+05 ppm1      7.887 ppm2      1.662

 ASSI {  173}
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 25   and name  HB# )
      2.703     0.541     0.541 peak   173 weight  1.00000E+00 volume  4.35955E+05 ppm1      7.887 ppm2      1.662

 ASSI {  331}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      3.858     0.772     0.772 peak   331 weight  1.00000E+00 volume  1.22545E+05 ppm1      7.896 ppm2      1.631

 ASSI {  331}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 14   and name  HB1 ))
      3.858     0.772     0.772 peak   331 weight  1.00000E+00 volume  1.22545E+05 ppm1      7.896 ppm2      1.631

 ASSI {  154}
   (( segid "   A" and resid 31   and name  HN  ))
   (  segid "   A" and resid 31   and name  HG1#)
      2.765     0.553     0.553 peak   154 weight  1.00000E+00 volume  6.40052E+05 ppm1      7.873 ppm2      1.137

 ASSI {  154}
   (( segid "   B" and resid 31   and name  HN  ))
   (  segid "   B" and resid 31   and name  HG1#)
      2.765     0.553     0.553 peak   154 weight  1.00000E+00 volume  6.40052E+05 ppm1      7.873 ppm2      1.137

 ASSI {  128}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.343     0.669     0.669 peak   128 weight  1.00000E+00 volume  1.66129E+05 ppm1      8.775 ppm2      4.162

 ASSI {  128}
   (( segid "   B" and resid 21   and name  HA  ))
   (( segid "   B" and resid 24   and name  HN  ))
      3.343     0.669     0.669 peak   128 weight  1.00000E+00 volume  1.66129E+05 ppm1      8.775 ppm2      4.162

 ASSI {  229}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 4    and name  HN  ))
      3.739     0.748     0.748 peak   229 weight  1.00000E+00 volume  1.25607E+05 ppm1      8.420 ppm2      8.180

 ASSI {  229}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.739     0.748     0.748 peak   229 weight  1.00000E+00 volume  1.25607E+05 ppm1      8.420 ppm2      8.180

 ASSI {  219}
   (( segid "   B" and resid 8    and name  HN  ))
   (( segid "   B" and resid 7    and name  HN  ))
      3.246     0.649     0.649 peak   219 weight  1.00000E+00 volume  3.12963E+05 ppm1      8.759 ppm2      8.519

 ASSI {  219}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.246     0.649     0.649 peak   219 weight  1.00000E+00 volume  3.12963E+05 ppm1      8.759 ppm2      8.519

 ASSI {    1}
   (( segid "   B" and resid 32   and name  HN  ))
   (( segid "   B" and resid 32   and name  HA2 ))
      2.486     0.497     0.497 peak     1 weight  1.00000E+00 volume  6.72968E+05 ppm1      8.035 ppm2      4.172

 ASSI {    1}
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 32   and name  HA2 ))
      2.486     0.497     0.497 peak     1 weight  1.00000E+00 volume  6.72968E+05 ppm1      8.035 ppm2      4.172

 ASSI {  269}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1  ))
      3.267     0.653     0.653 peak   269 weight  1.00000E+00 volume  2.20828E+05 ppm1      8.966 ppm2      2.083

 ASSI {  269}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB1  ))
      3.267     0.653     0.653 peak   269 weight  1.00000E+00 volume  2.20828E+05 ppm1      8.966 ppm2      2.083
!13HG

 ASSI {  183}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      2.881     0.576     0.576 peak   183 weight  1.00000E+00 volume  1.37866E+05 ppm1      8.975 ppm2      2.348

 ASSI {  183}
   (( segid "   B" and resid 21   and name  HN  ))
   (( segid "   B" and resid 21   and name  HB2 ))
      2.881     0.576     0.576 peak   183 weight  1.00000E+00 volume  1.37866E+05 ppm1      8.975 ppm2      2.348

 ASSI {  159}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.333     0.667     0.667 peak   159 weight  1.00000E+00 volume  6.22291E+04 ppm1      7.416 ppm2      7.698

 ASSI {  159}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.333     0.667     0.667 peak   159 weight  1.00000E+00 volume  6.22291E+04 ppm1      7.416 ppm2      7.698

! ASSI {  298}
!   (( segid "   A" and resid 10   and name  HN  ))
!   (( segid "   B" and resid 2    and name  HN  ))
!      4.080     0.816     0.816 peak   298 weight  1.00000E+00 volume  2.74543E+05 ppm1      8.804 ppm2      8.552

 ASSI {  158}
   (( segid "   B" and resid 32   and name  HN  ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.775     0.955     0.955 peak   158 weight  1.00000E+00 volume  7.19040E+04 ppm1      7.418 ppm2      8.012

 ASSI {  158}
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.775     0.955     0.955 peak   158 weight  1.00000E+00 volume  7.19040E+04 ppm1      7.418 ppm2      8.012

 ASSI {  198}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HA  ))
      3.022     0.604     0.604 peak   198 weight  1.00000E+00 volume  2.66451E+05 ppm1      8.461 ppm2      4.195

 ASSI {  198}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.022     0.604     0.604 peak   198 weight  1.00000E+00 volume  2.66451E+05 ppm1      8.461 ppm2      4.195

 ASSI {  129}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.002     0.600     0.600 peak   129 weight  1.00000E+00 volume  3.31836E+05 ppm1      8.221 ppm2      4.236

 ASSI {  129}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.002     0.600     0.600 peak   129 weight  1.00000E+00 volume  3.31836E+05 ppm1      8.221 ppm2      4.236

 ASSI {  138}
   (( segid "   B" and resid 14   and name  HA  ))
   (( segid "   B" and resid 14   and name  HN  ))
      3.179     0.636     0.636 peak   138 weight  1.00000E+00 volume  2.17984E+05 ppm1      9.035 ppm2      4.205

 ASSI {  138}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.179     0.636     0.636 peak   138 weight  1.00000E+00 volume  2.17984E+05 ppm1      9.035 ppm2      4.205

 ASSI {  146}
   (( segid "   B" and resid 7    and name  HA  ))
   (( segid "   B" and resid 7    and name  HN  ))
      3.116     0.623     0.623 peak   146 weight  1.00000E+00 volume  2.00848E+05 ppm1      8.758 ppm2      4.136

 ASSI {  146}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.116     0.623     0.623 peak   146 weight  1.00000E+00 volume  2.00848E+05 ppm1      8.758 ppm2      4.136

 ASSI {  155}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 29   and name  HA  ))
      2.983     0.597     0.597 peak   155 weight  1.00000E+00 volume  3.08132E+05 ppm1      7.760 ppm2      4.351

 ASSI {  155}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))
      2.983     0.597     0.597 peak   155 weight  1.00000E+00 volume  3.08132E+05 ppm1      7.760 ppm2      4.351
!12HA

 ASSI {  168}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.893     0.779     0.779 peak   168 weight  1.00000E+00 volume  5.34212E+04 ppm1      8.564 ppm2      8.918

 ASSI {  168}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 27   and name  HN  ))
      3.893     0.779     0.779 peak   168 weight  1.00000E+00 volume  5.34212E+04 ppm1      8.564 ppm2      8.918
!28HN

! ASSI {  322}
!   (( segid "   B" and resid 12   and name  HN  ))
!   (( segid "   A" and resid 7    and name  HG1 ))
!      3.745     0.749     0.749 peak   322 weight  1.00000E+00 volume  9.80984E+04 ppm1      8.353 ppm2      2.896

 ASSI {  307}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.563     0.713     0.713 peak   307 weight  1.00000E+00 volume  2.50948E+05 ppm1      8.153 ppm2      8.378

 ASSI {  307}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.563     0.713     0.713 peak   307 weight  1.00000E+00 volume  2.50948E+05 ppm1      8.153 ppm2      8.378
!6HN

 ASSI {  124}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 32   and name  HA  ))
      3.240     0.648     0.648 peak   124 weight  1.00000E+00 volume  5.11836E+04 ppm1      8.922 ppm2      4.131

 ASSI {  124}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 32   and name  HA  ))
      3.240     0.648     0.648 peak   124 weight  1.00000E+00 volume  5.11836E+04 ppm1      8.922 ppm2      4.131
!13HA

 ASSI {  178}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 24   and name  HN  ))
      3.763     0.753     0.753 peak   178 weight  1.00000E+00 volume  9.07184E+04 ppm1      8.783 ppm2      8.554

 ASSI {  178}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.763     0.753     0.753 peak   178 weight  1.00000E+00 volume  9.07184E+04 ppm1      8.783 ppm2      8.554

 ASSI {  232}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 3    and name  HB2 ))
      2.795     0.559     0.559 peak   232 weight  1.00000E+00 volume  5.12835E+05 ppm1      9.068 ppm2      2.269

 ASSI {  232}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 3    and name  HB2 ))
      2.795     0.559     0.559 peak   232 weight  1.00000E+00 volume  5.12835E+05 ppm1      9.068 ppm2      2.269

 ASSI {  294}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 8    and name  HB2 ))
      3.574     0.715     0.715 peak   294 weight  1.00000E+00 volume  1.55319E+05 ppm1      7.968 ppm2      2.622

 ASSI {  294}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 8    and name  HB2 ))
      3.574     0.715     0.715 peak   294 weight  1.00000E+00 volume  1.55319E+05 ppm1      7.968 ppm2      2.622

 ASSI {  262}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 12   and name  HN  ))
      3.126     0.625     0.625 peak   262 weight  1.00000E+00 volume  2.28947E+05 ppm1      8.787 ppm2      8.364

 ASSI {  262}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.126     0.625     0.625 peak   262 weight  1.00000E+00 volume  2.28947E+05 ppm1      8.787 ppm2      8.364

 ASSI {  272}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 16   and name  HN  ))
      4.389     0.878     0.878 peak   272 weight  1.00000E+00 volume  1.23750E+05 ppm1      8.896 ppm2      8.467

 ASSI {  272}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 16   and name  HN  ))
      4.389     0.878     0.878 peak   272 weight  1.00000E+00 volume  1.23750E+05 ppm1      8.896 ppm2      8.467

 ASSI {  360}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      3.195     0.639     0.639 peak   360 weight  1.00000E+00 volume  1.74388E+05 ppm1      8.922 ppm2      1.069

 ASSI {  360}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      3.195     0.639     0.639 peak   360 weight  1.00000E+00 volume  1.74388E+05 ppm1      8.922 ppm2      1.069
!28HD2

 ASSI {  260}
   (( segid "   A" and resid 11   and name  HN  ))
   (  segid "   A" and resid 10   and name  HG2#)
      3.274     0.655     0.655 peak   260 weight  1.00000E+00 volume  1.49721E+05 ppm1      8.017 ppm2      1.087

 ASSI {  260}
   (( segid "   B" and resid 11   and name  HN  ))
   (  segid "   B" and resid 10   and name  HG2#)
      3.274     0.655     0.655 peak   260 weight  1.00000E+00 volume  1.49721E+05 ppm1      8.017 ppm2      1.087

 ASSI {  324}
   (( segid "   B" and resid 12   and name  HN  ))
   (  segid "   B" and resid 13   and name  HD1#)
      4.046     0.809     0.809 peak   324 weight  1.00000E+00 volume  4.38876E+04 ppm1      8.350 ppm2      1.073

 ASSI {  324}
   (( segid "   A" and resid 12   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      4.046     0.809     0.809 peak   324 weight  1.00000E+00 volume  4.38876E+04 ppm1      8.350 ppm2      1.073
!14HD1#

 ASSI {  130}
   (( segid "   B" and resid 22   and name  HA  ))
   (( segid "   B" and resid 22   and name  HN  ))
      3.156     0.631     0.631 peak   130 weight  1.00000E+00 volume  2.67817E+05 ppm1      7.961 ppm2      4.599

 ASSI {  130}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.156     0.631     0.631 peak   130 weight  1.00000E+00 volume  2.67817E+05 ppm1      7.961 ppm2      4.599

 ASSI {  242}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB1 ))
      2.865     0.573     0.573 peak   242 weight  1.00000E+00 volume  3.84742E+05 ppm1      8.461 ppm2      2.082

 ASSI {  242}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      2.865     0.573     0.573 peak   242 weight  1.00000E+00 volume  3.84742E+05 ppm1      8.461 ppm2      2.082

 ASSI {  134}
   (( segid "   B" and resid 18   and name  HA  ))
   (( segid "   B" and resid 18   and name  HN  ))
      2.992     0.598     0.598 peak   134 weight  1.00000E+00 volume  3.91427E+05 ppm1      8.464 ppm2      4.513

 ASSI {  134}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  HN  ))
      2.992     0.598     0.598 peak   134 weight  1.00000E+00 volume  3.91427E+05 ppm1      8.464 ppm2      4.513

 ASSI {  365}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 28   and name  HB2 ))
      2.706     0.541     0.541 peak   365 weight  1.00000E+00 volume  2.67978E+05 ppm1      7.416 ppm2      1.945

 ASSI {  365}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB2 ))
      2.706     0.541     0.541 peak   365 weight  1.00000E+00 volume  2.67978E+05 ppm1      7.416 ppm2      1.945

 ASSI {  235}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      3.305     0.661     0.661 peak   235 weight  1.00000E+00 volume  2.11026E+05 ppm1      8.895 ppm2      2.352

 ASSI {  235}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 21   and name  HB2 ))
      3.305     0.661     0.661 peak   235 weight  1.00000E+00 volume  2.11026E+05 ppm1      8.895 ppm2      2.352
!23HG2

 ASSI {  372}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      3.550     0.710     0.710 peak   372 weight  1.00000E+00 volume  9.12209E+04 ppm1      7.876 ppm2      1.889

 ASSI {  372}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      3.550     0.710     0.710 peak   372 weight  1.00000E+00 volume  9.12209E+04 ppm1      7.876 ppm2      1.889
!26HB2

 ASSI {  194}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 18   and name  HB2 ))
      2.674     0.535     0.535 peak   194 weight  1.00000E+00 volume  5.76648E+05 ppm1      8.465 ppm2      3.392

 ASSI {  194}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB2 ))
      2.674     0.535     0.535 peak   194 weight  1.00000E+00 volume  5.76648E+05 ppm1      8.465 ppm2      3.392

! ASSI {  216}
!   (( segid "   A" and resid 9    and name  HN  ))
!   (( segid "   A" and resid 28   and name  HB2 ))
!      3.696     0.739     0.739 peak   216 weight  1.00000E+00 volume  6.24266E+04 ppm1      8.150 ppm2      1.987

 ASSI {  274}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      3.444     0.689     0.689 peak   274 weight  1.00000E+00 volume  1.98155E+05 ppm1      8.893 ppm2      3.637

 ASSI {  274}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      3.444     0.689     0.689 peak   274 weight  1.00000E+00 volume  1.98155E+05 ppm1      8.893 ppm2      3.637

 ASSI {  280}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.202     0.640     0.640 peak   280 weight  1.00000E+00 volume  4.32043E+05 ppm1      8.216 ppm2      8.002

 ASSI {  280}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 22   and name  HN  ))
      3.202     0.640     0.640 peak   280 weight  1.00000E+00 volume  4.32043E+05 ppm1      8.216 ppm2      8.002

 ASSI {  210}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 10   and name  HB  ))
      3.037     0.607     0.607 peak   210 weight  1.00000E+00 volume  2.29014E+05 ppm1      8.521 ppm2      2.264

 ASSI {  210}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HB  ))
      3.037     0.607     0.607 peak   210 weight  1.00000E+00 volume  2.29014E+05 ppm1      8.521 ppm2      2.264

 ASSI {  156}
   (( segid "   B" and resid 32   and name  HN  ))
   (( segid "   B" and resid 30   and name  HN  ))
      3.953     0.791     0.791 peak   156 weight  1.00000E+00 volume  9.88355E+04 ppm1      7.760 ppm2      8.010

 ASSI {  156}
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.953     0.791     0.791 peak   156 weight  1.00000E+00 volume  9.88355E+04 ppm1      7.760 ppm2      8.010

 ASSI {  344}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 32   and name  HN  ))
      4.037     0.807     0.807 peak   344 weight  1.00000E+00 volume  1.57836E+05 ppm1      7.970 ppm2      7.731

 ASSI {  344}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 32   and name  HN  ))
      4.037     0.807     0.807 peak   344 weight  1.00000E+00 volume  1.57836E+05 ppm1      7.970 ppm2      7.731
!22HN

 ASSI {  247}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.510     0.702     0.702 peak   247 weight  1.00000E+00 volume  1.23609E+05 ppm1      8.017 ppm2      2.184

 ASSI {  247}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HB2 ))
      3.510     0.702     0.702 peak   247 weight  1.00000E+00 volume  1.23609E+05 ppm1      8.017 ppm2      2.184

 ASSI {  279}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 21   and name  HB1  ))
      3.152     0.630     0.630 peak   279 weight  1.00000E+00 volume  1.93627E+05 ppm1      7.969 ppm2      2.269

 ASSI {  279}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1  ))
      3.152     0.630     0.630 peak   279 weight  1.00000E+00 volume  1.93627E+05 ppm1      7.969 ppm2      2.269
!10HB

 ASSI {  243}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB2 ))
      3.083     0.617     0.617 peak   243 weight  1.00000E+00 volume  1.28316E+05 ppm1      8.461 ppm2      1.889

 ASSI {  243}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      3.083     0.617     0.617 peak   243 weight  1.00000E+00 volume  1.28316E+05 ppm1      8.461 ppm2      1.889

 ASSI {  220}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 7    and name  HG2 ))
      3.196     0.639     0.639 peak   220 weight  1.00000E+00 volume  1.46774E+05 ppm1      8.762 ppm2      2.751

 ASSI {  220}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HG2 ))
      3.196     0.639     0.639 peak   220 weight  1.00000E+00 volume  1.46774E+05 ppm1      8.762 ppm2      2.751

 ASSI {  209}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 10   and name  HA  ))
      3.662     0.732     0.732 peak   209 weight  1.00000E+00 volume  1.00896E+05 ppm1      8.530 ppm2      3.551

 ASSI {  209}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.662     0.732     0.732 peak   209 weight  1.00000E+00 volume  1.00896E+05 ppm1      8.530 ppm2      3.551

 ASSI {  214}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.524     0.705     0.705 peak   214 weight  1.00000E+00 volume  1.83848E+05 ppm1      8.141 ppm2      8.379

 ASSI {  214}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      3.524     0.705     0.705 peak   214 weight  1.00000E+00 volume  1.83848E+05 ppm1      8.141 ppm2      8.379

 ASSI {  282}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 24   and name  HN  ))
      3.793     0.759     0.759 peak   282 weight  1.00000E+00 volume  1.32012E+05 ppm1      7.886 ppm2      8.817

 ASSI {  282}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.793     0.759     0.759 peak   282 weight  1.00000E+00 volume  1.32012E+05 ppm1      7.886 ppm2      8.817
!25HN

 ASSI {  328}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.486     0.697     0.697 peak   328 weight  1.00000E+00 volume  1.94175E+05 ppm1      7.896 ppm2      9.027

 ASSI {  328}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 14   and name  HN  ))
      3.486     0.697     0.697 peak   328 weight  1.00000E+00 volume  1.94175E+05 ppm1      7.896 ppm2      9.027

 ASSI {  143}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))
      3.588     0.718     0.718 peak   143 weight  1.00000E+00 volume  1.95301E+05 ppm1      8.775 ppm2      3.556

 ASSI {  143}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 24   and name  HA  ))
      3.588     0.718     0.718 peak   143 weight  1.00000E+00 volume  1.95301E+05 ppm1      8.775 ppm2      3.556

 ASSI {  255}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HG  ))
      3.250     0.650     0.650 peak   255 weight  1.00000E+00 volume  1.76680E+05 ppm1      8.154 ppm2      1.919

 ASSI {  255}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 6    and name  HG  ))
      3.250     0.650     0.650 peak   255 weight  1.00000E+00 volume  1.76680E+05 ppm1      8.154 ppm2      1.919

 ASSI {  339}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      5.251     1.050     1.050 peak   339 weight  1.00000E+00 volume  9.16431E+04 ppm1      8.973 ppm2      8.190

 ASSI {  339}
   (( segid "   B" and resid 21   and name  HN  ))
   (( segid "   B" and resid 19   and name  HN  ))
      5.251     1.050     1.050 peak   339 weight  1.00000E+00 volume  9.16431E+04 ppm1      8.973 ppm2      8.190

 ASSI {  351}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HG1# ))
      3.137     0.927     0.927 peak   351 weight  1.00000E+00 volume  1.67001E+05 ppm1      8.778 ppm2      1.023

 ASSI {  351}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 24   and name  HG1# ))
      3.137     0.927     0.927 peak   351 weight  1.00000E+00 volume  1.67001E+05 ppm1      8.778 ppm2      1.023
!27HB1

 ASSI {  239}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.212     0.642     0.642 peak   239 weight  1.00000E+00 volume  2.38488E+05 ppm1      8.966 ppm2      2.907

 ASSI {  239}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB2 ))
      3.212     0.642     0.642 peak   239 weight  1.00000E+00 volume  2.38488E+05 ppm1      8.966 ppm2      2.907

 ASSI {  263}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 10   and name  HN  ))
      4.520     0.904     0.904 peak   263 weight  1.00000E+00 volume  8.44910E+04 ppm1      8.790 ppm2      8.551

 ASSI {  263}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      4.520     0.904     0.904 peak   263 weight  1.00000E+00 volume  8.44910E+04 ppm1      8.790 ppm2      8.551

 ASSI {  352}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 12   and name  HN  ))
      3.676     0.735     0.735 peak   352 weight  1.00000E+00 volume  1.46635E+05 ppm1      7.888 ppm2      8.373

 ASSI {  352}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.676     0.735     0.735 peak   352 weight  1.00000E+00 volume  1.46635E+05 ppm1      7.888 ppm2      8.373
!25HN

 ASSI {  301}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 2    and name  HN  ))
      4.140     0.828     0.828 peak   301 weight  1.00000E+00 volume  1.37651E+05 ppm1      8.809 ppm2      8.008

 ASSI {  301}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 2    and name  HN  ))
      4.140     0.828     0.828 peak   301 weight  1.00000E+00 volume  1.37651E+05 ppm1      8.809 ppm2      8.008

 ASSI {  278}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 23   and name  HG2 ))
      3.227     0.645     0.645 peak   278 weight  1.00000E+00 volume  2.23401E+05 ppm1      7.966 ppm2      2.439

 ASSI {  278}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG2 ))
      3.227     0.645     0.645 peak   278 weight  1.00000E+00 volume  2.23401E+05 ppm1      7.966 ppm2      2.439
!11HG2

 ASSI {  170}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 26   and name  HB2 ))
      3.201     0.640     0.640 peak   170 weight  1.00000E+00 volume  1.87331E+05 ppm1      7.950 ppm2      1.917

 ASSI {  170}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.201     0.640     0.640 peak   170 weight  1.00000E+00 volume  1.87331E+05 ppm1      7.950 ppm2      1.917

 ASSI {  237}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      2.876     0.575     0.575 peak   237 weight  1.00000E+00 volume  4.39585E+05 ppm1      8.189 ppm2      3.633

 ASSI {  237}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      2.876     0.575     0.575 peak   237 weight  1.00000E+00 volume  4.39585E+05 ppm1      8.189 ppm2      3.633

 ASSI {  230}
   (( segid "   B" and resid 4    and name  HN  ))
   (( segid "   B" and resid 4    and name  HB2 ))
      2.704     0.541     0.541 peak   230 weight  1.00000E+00 volume  6.00289E+05 ppm1      8.418 ppm2      1.986

 ASSI {  230}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB2 ))
      2.704     0.541     0.541 peak   230 weight  1.00000E+00 volume  6.00289E+05 ppm1      8.418 ppm2      1.986
!12HN

 ASSI {  284}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 32   and name  HN  ))
      3.990     0.798     0.798 peak   284 weight  1.00000E+00 volume  1.35494E+05 ppm1      7.953 ppm2      7.729

 ASSI {  284}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.990     0.798     0.798 peak   284 weight  1.00000E+00 volume  1.35494E+05 ppm1      7.953 ppm2      7.729
!26HN

 ASSI {  302}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HN  ))
      3.322     0.664     0.664 peak   302 weight  1.00000E+00 volume  4.44534E+05 ppm1      9.069 ppm2      8.819

 ASSI {  302}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 2    and name  HN  ))
      3.322     0.664     0.664 peak   302 weight  1.00000E+00 volume  4.44534E+05 ppm1      9.069 ppm2      8.819

 ASSI {  261}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 12   and name  HB2 ))
      2.664     0.533     0.533 peak   261 weight  1.00000E+00 volume  7.35678E+05 ppm1      8.355 ppm2      2.447

 ASSI {  261}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB2 ))
      2.664     0.533     0.533 peak   261 weight  1.00000E+00 volume  7.35678E+05 ppm1      8.355 ppm2      2.447

 ASSI {  306}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 3    and name  HB2 ))
      3.805     0.761     0.761 peak   306 weight  1.00000E+00 volume  1.02629E+05 ppm1      9.069 ppm2      2.721

 ASSI {  306}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 3    and name  HB2 ))
      3.805     0.761     0.761 peak   306 weight  1.00000E+00 volume  1.02629E+05 ppm1      9.069 ppm2      2.721
!7HG2

 ASSI {  355}
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 24   and name  HB  ))
      3.106     0.621     0.621 peak   355 weight  1.00000E+00 volume  2.24781E+05 ppm1      7.888 ppm2      2.269

 ASSI {  355}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB  ))
      3.106     0.621     0.621 peak   355 weight  1.00000E+00 volume  2.24781E+05 ppm1      7.888 ppm2      2.269
!10HB
!7/1

 ASSI {  164}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB2 ))
      2.696     0.539     0.539 peak   164 weight  1.00000E+00 volume  3.76106E+05 ppm1      8.923 ppm2      1.967

 ASSI {  164}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 28   and name  HB2 ))
      2.696     0.539     0.539 peak   164 weight  1.00000E+00 volume  3.76106E+05 ppm1      8.923 ppm2      1.967

 ASSI {  316}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HN  ))
      2.840     0.568     0.568 peak   316 weight  1.00000E+00 volume  3.36957E+05 ppm1      8.522 ppm2      8.116

 ASSI {  316}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      2.840     0.568     0.568 peak   316 weight  1.00000E+00 volume  3.36957E+05 ppm1      8.522 ppm2      8.116

 ASSI {  145}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 8    and name  HN  ))
      3.257     0.651     0.651 peak   145 weight  1.00000E+00 volume  1.60997E+05 ppm1      8.524 ppm2      4.210

 ASSI {  145}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.257     0.651     0.651 peak   145 weight  1.00000E+00 volume  1.60997E+05 ppm1      8.524 ppm2      4.210

 ASSI {  133}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.034     0.607     0.607 peak   133 weight  1.00000E+00 volume  2.65909E+05 ppm1      8.182 ppm2      4.539

 ASSI {  133}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.034     0.607     0.607 peak   133 weight  1.00000E+00 volume  2.65909E+05 ppm1      8.182 ppm2      4.539

 ASSI {  137}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      2.727     0.545     0.545 peak   137 weight  1.00000E+00 volume  5.34185E+05 ppm1      7.896 ppm2      4.275

 ASSI {  137}
   (( segid "   B" and resid 15   and name  HA  ))
   (( segid "   B" and resid 15   and name  HN  ))
      2.727     0.545     0.545 peak   137 weight  1.00000E+00 volume  5.34185E+05 ppm1      7.896 ppm2      4.275
!12HA

 ASSI {  182}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 22   and name  HN  ))
      3.363     0.673     0.673 peak   182 weight  1.00000E+00 volume  3.77141E+05 ppm1      7.967 ppm2      8.200

 ASSI {  182}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.363     0.673     0.673 peak   182 weight  1.00000E+00 volume  3.77141E+05 ppm1      7.967 ppm2      8.200

 ASSI {  172}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB1 ))
      4.690     0.938     0.938 peak   172 weight  1.00000E+00 volume  7.16861E+04 ppm1      7.884 ppm2      1.452

 ASSI {  172}
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 28   and name  HB1 ))
      4.690     0.938     0.938 peak   172 weight  1.00000E+00 volume  7.16861E+04 ppm1      7.884 ppm2      1.452
!13HB1

 ASSI {  217}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 8    and name  HN  ))
      2.978     0.596     0.596 peak   217 weight  1.00000E+00 volume  3.39624E+05 ppm1      8.519 ppm2      8.112

 ASSI {  217}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 8    and name  HN  ))
      2.978     0.596     0.596 peak   217 weight  1.00000E+00 volume  3.39624E+05 ppm1      8.519 ppm2      8.112

 ASSI {  224}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 6    and name  HB2 ))
      3.430     0.686     0.686 peak   224 weight  1.00000E+00 volume  1.44387E+05 ppm1      8.152 ppm2      1.083

 ASSI {  224}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      3.430     0.686     0.686 peak   224 weight  1.00000E+00 volume  1.44387E+05 ppm1      8.152 ppm2      1.083

 ASSI {  308}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.361     0.672     0.672 peak   308 weight  1.00000E+00 volume  1.96172E+05 ppm1      8.156 ppm2      7.936

 ASSI {  308}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.361     0.672     0.672 peak   308 weight  1.00000E+00 volume  1.96172E+05 ppm1      8.156 ppm2      7.936
!15HN

 ASSI {  287}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 26   and name  HB1 ))
      3.277     0.655     0.655 peak   287 weight  1.00000E+00 volume  1.95371E+05 ppm1      8.565 ppm2      1.455

 ASSI {  287}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB1 ))
      3.277     0.655     0.655 peak   287 weight  1.00000E+00 volume  1.95371E+05 ppm1      8.565 ppm2      1.455
!28HB2

 ASSI {  185}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))
      2.983     0.597     0.597 peak   185 weight  1.00000E+00 volume  3.08132E+05 ppm1      7.761 ppm2      4.376

 ASSI {  185}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HA  ))
      2.983     0.597     0.597 peak   185 weight  1.00000E+00 volume  3.08132E+05 ppm1      7.761 ppm2      4.376

 ASSI {  303}
   (( segid "   B" and resid 4    and name  HN  ))
   (( segid "   B" and resid 3    and name  HN  ))
      3.627     0.725     0.725 peak   303 weight  1.00000E+00 volume  1.05871E+05 ppm1      8.418 ppm2      9.072

 ASSI {  303}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 3    and name  HN  ))
      3.627     0.725     0.725 peak   303 weight  1.00000E+00 volume  1.05871E+05 ppm1      8.418 ppm2      9.072

 ASSI {  179}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG2 ))
      2.769     0.554     0.554 peak   179 weight  1.00000E+00 volume  6.14650E+05 ppm1      8.218 ppm2      2.354

 ASSI {  179}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 23   and name  HG2 ))
      2.769     0.554     0.554 peak   179 weight  1.00000E+00 volume  6.14650E+05 ppm1      8.218 ppm2      2.354

 ASSI {  270}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HN  ))
      3.361     0.672     0.672 peak   270 weight  1.00000E+00 volume  1.99272E+05 ppm1      8.456 ppm2      8.973

 ASSI {  270}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HN  ))
      3.361     0.672     0.672 peak   270 weight  1.00000E+00 volume  1.99272E+05 ppm1      8.456 ppm2      8.973

 ASSI {  197}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 17   and name  HA  ))
      3.671     0.734     0.734 peak   197 weight  1.00000E+00 volume  1.28893E+05 ppm1      8.964 ppm2      4.188

 ASSI {  197}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HA  ))
      3.671     0.734     0.734 peak   197 weight  1.00000E+00 volume  1.28893E+05 ppm1      8.964 ppm2      4.188

 ASSI {  330}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.271     0.654     0.654 peak   330 weight  1.00000E+00 volume  2.15447E+05 ppm1      7.899 ppm2      2.076

 ASSI {  330}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 14   and name  HB2 ))
      3.271     0.654     0.654 peak   330 weight  1.00000E+00 volume  2.15447E+05 ppm1      7.899 ppm2      2.076

 ASSI {  163}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.474     0.695     0.695 peak   163 weight  1.00000E+00 volume  1.31184E+05 ppm1      8.925 ppm2      4.175

 ASSI {  163}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 25   and name  HA  ))
      3.474     0.695     0.695 peak   163 weight  1.00000E+00 volume  1.31184E+05 ppm1      8.925 ppm2      4.175

 ASSI {  195}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HN  ))
      2.879     0.576     0.576 peak   195 weight  1.00000E+00 volume  3.28715E+05 ppm1      8.966 ppm2      8.460

 ASSI {  195}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HN  ))
      2.879     0.576     0.576 peak   195 weight  1.00000E+00 volume  3.28715E+05 ppm1      8.966 ppm2      8.460

 ASSI {  151}
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HN  ))
      2.684     0.537     0.537 peak   151 weight  1.00000E+00 volume  7.52995E+05 ppm1      8.806 ppm2      4.088

 ASSI {  151}
   (( segid "   B" and resid 2    and name  HA  ))
   (( segid "   B" and resid 2    and name  HN  ))
      2.684     0.537     0.537 peak   151 weight  1.00000E+00 volume  7.52995E+05 ppm1      8.806 ppm2      4.088

 ASSI {  201}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB2 ))
      3.144     0.629     0.629 peak   201 weight  1.00000E+00 volume  1.75678E+05 ppm1      7.895 ppm2      4.464

 ASSI {  201}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 15   and name  HB2 ))
      3.144     0.629     0.629 peak   201 weight  1.00000E+00 volume  1.75678E+05 ppm1      7.895 ppm2      4.464

!new from other noe table


 ASSI {  377}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      2.942     0.588     0.588 peak   377 weight  1.00000E+00 volume  1.22064E+05 ppm1      8.221 ppm2      7.889

 ASSI {  377}
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      2.942     0.588     0.588 peak   377 weight  1.00000E+00 volume  1.22064E+05 ppm1      8.221 ppm2      7.889

 ASSI {  378}
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.944     0.789     0.789 peak   378 weight  1.00000E+00 volume  5.87671E+04 ppm1      7.414 ppm2      1.094

 ASSI {  378}
   (( segid "   B" and resid 29   and name  HD2 ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.944     0.789     0.789 peak   378 weight  1.00000E+00 volume  5.87671E+04 ppm1      7.414 ppm2      1.094

 ASSI {  379}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 3    and name  HA  ))
      3.876     0.775     0.775 peak   379 weight  1.00000E+00 volume  6.34028E+04 ppm1      8.757 ppm2      4.356

 ASSI {  379}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 3    and name  HA  ))
      3.876     0.775     0.775 peak   379 weight  1.00000E+00 volume  6.34028E+04 ppm1      8.757 ppm2      4.356

 ASSI {  380}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 14   and name  HG  ))
      4.000     0.800     0.800 peak   380 weight  1.00000E+00 volume  5.97301E+04 ppm1      9.040 ppm2      1.439

 ASSI {  380}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HG  ))
      4.000     0.800     0.800 peak   380 weight  1.00000E+00 volume  5.97301E+04 ppm1      9.040 ppm2      1.439

 ASSI {  381}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HG2 ))
      3.801     0.760     0.760 peak   381 weight  1.00000E+00 volume  7.54957E+04 ppm1      8.457 ppm2      1.632

 ASSI {  381}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HG2 ))
      3.801     0.760     0.760 peak   381 weight  1.00000E+00 volume  7.54957E+04 ppm1      8.457 ppm2      1.632

 ASSI {  382}
   (( segid "   A" and resid 16   and name  HD2 ))
   (( segid "   A" and resid 16   and name  HN  ))
      4.766     0.953     0.953 peak   382 weight  1.00000E+00 volume  6.95376E+04 ppm1      8.461 ppm2      1.079

 ASSI {  382}
   (( segid "   B" and resid 16   and name  HD2 ))
   (( segid "   B" and resid 16   and name  HN  ))
      4.766     0.953     0.953 peak   382 weight  1.00000E+00 volume  6.95376E+04 ppm1      8.461 ppm2      1.079

 ASSI {  383}
   (( segid "   B" and resid 3    and name  HA  ))
   (( segid "   B" and resid 2    and name  HN  ))
      4.627     0.925     0.925 peak   383 weight  1.00000E+00 volume  1.05262E+05 ppm1      8.810 ppm2      4.364

 ASSI {  383}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 2    and name  HN  ))
      4.627     0.925     0.925 peak   383 weight  1.00000E+00 volume  1.05262E+05 ppm1      8.810 ppm2      4.364

 ASSI {  387}
   (( segid "   A" and resid 5    and name  HG2 ))
   (( segid "   A" and resid 6    and name  HN  ))
      2.936     0.587     0.587 peak   387 weight  1.00000E+00 volume  2.57248E+06 ppm1      8.153 ppm2      2.277

 ASSI {  387}
   (( segid "   B" and resid 5    and name  HG2 ))
   (( segid "   B" and resid 6    and name  HN  ))
      2.936     0.587     0.587 peak   387 weight  1.00000E+00 volume  2.57248E+06 ppm1      8.153 ppm2      2.277

 ASSI {  388}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 25   and name  HB# )
      5.033     1.007     1.007 peak   388 weight  1.00000E+00 volume  1.01288E+05 ppm1      8.774 ppm2      1.672

 ASSI {  388}
   (( segid "   B" and resid 24   and name  HN  ))
   (  segid "   B" and resid 25   and name  HB# )
      5.033     1.007     1.007 peak   388 weight  1.00000E+00 volume  1.01288E+05 ppm1      8.774 ppm2      1.672

 ASSI {  389}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.849     0.770     0.770 peak   389 weight  1.00000E+00 volume  -5.06546E+05 ppm1      8.363 ppm2      9.013

 ASSI {  389}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 14   and name  HN  ))
      3.849     0.770     0.770 peak   389 weight  1.00000E+00 volume  -5.06546E+05 ppm1      8.363 ppm2      9.013

 ASSI {  390}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 2    and name  HA  ))
      4.025     0.805     0.805 peak   390 weight  1.00000E+00 volume  3.87224E+05 ppm1      8.155 ppm2      4.099

 ASSI {  390}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 2    and name  HA  ))
      4.025     0.805     0.805 peak   390 weight  1.00000E+00 volume  3.87224E+05 ppm1      8.155 ppm2      4.099

 ASSI {  391}
   (( segid "   A" and resid 3    and name  HG2 ))
   (( segid "   A" and resid 3    and name  HN  ))
      3.874     0.775     0.775 peak   391 weight  1.00000E+00 volume  4.86821E+05 ppm1      9.065 ppm2      1.988

 ASSI {  391}
   (( segid "   B" and resid 3    and name  HG2 ))
   (( segid "   B" and resid 3    and name  HN  ))
      3.874     0.775     0.775 peak   391 weight  1.00000E+00 volume  4.86821E+05 ppm1      9.065 ppm2      1.988

 ASSI {  298}
   (( segid "   A" and resid 4    and name  HD1 ))
   (( segid "   A" and resid 3    and name  HB2 ))
      3.580     0.716     0.716 peak   298 weight  1.00000E+00 volume  5.53954E+04 ppm1      2.297 ppm2      0.886

 ASSI {  298}
   (( segid "   B" and resid 4    and name  HD1 ))
   (( segid "   B" and resid 3    and name  HB2 ))
      3.580     0.716     0.716 peak   298 weight  1.00000E+00 volume  5.53954E+04 ppm1      2.297 ppm2      0.886

 ASSI {  299}
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HG1 ))
      3.426     0.685     0.685 peak   299 weight  1.00000E+00 volume  9.95938E+04 ppm1      2.288 ppm2      1.807

 ASSI {  299}
   (( segid "   B" and resid 3    and name  HB2 ))
   (( segid "   B" and resid 4    and name  HG1 ))
      3.426     0.685     0.685 peak   299 weight  1.00000E+00 volume  9.95938E+04 ppm1      2.288 ppm2      1.807

 ASSI {  302}
   (( segid "   B" and resid 24   and name  HB  ))
   (( segid "   B" and resid 24   and name  HA  ))
      4.019     0.804     0.804 peak   302 weight  1.00000E+00 volume  1.88593E+05 ppm1      2.348 ppm2      3.271

 ASSI {  302}
   (( segid "   A" and resid 24   and name  HB  ))
   (( segid "   A" and resid 24   and name  HA  ))
      4.019     0.804     0.804 peak   302 weight  1.00000E+00 volume  1.88593E+05 ppm1      2.348 ppm2      3.271

 ASSI {  303}
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HA  ))
      3.815     0.763     0.763 peak   303 weight  1.00000E+00 volume  2.57845E+05 ppm1      1.761 ppm2      4.275

 ASSI {  303}
   (( segid "   B" and resid 5    and name  HB1 ))
   (( segid "   B" and resid 6    and name  HA  ))
      3.815     0.763     0.763 peak   303 weight  1.00000E+00 volume  2.57845E+05 ppm1      1.761 ppm2      4.275

 ASSI {  304}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      3.625     0.725     0.725 peak   304 weight  1.00000E+00 volume  -3.49958E+05 ppm1      4.536 ppm2      3.677

 ASSI {  304}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      3.625     0.725     0.725 peak   304 weight  1.00000E+00 volume  -3.49958E+05 ppm1      4.536 ppm2      3.677

 ASSI {  305}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HG  ))
      3.958     0.792     0.792 peak   305 weight  1.00000E+00 volume  2.06681E+05 ppm1      1.911 ppm2      1.091

 ASSI {  305}
   (( segid "   B" and resid 6    and name  HB2 ))
   (( segid "   B" and resid 6    and name  HG  ))
      3.958     0.792     0.792 peak   305 weight  1.00000E+00 volume  2.06681E+05 ppm1      1.911 ppm2      1.091

 ASSI {  306}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HA  ))
      4.006     0.801     0.801 peak   306 weight  1.00000E+00 volume  1.92292E+05 ppm1      2.046 ppm2      4.173

 ASSI {  306}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HA  ))
      4.006     0.801     0.801 peak   306 weight  1.00000E+00 volume  1.92292E+05 ppm1      2.046 ppm2      4.173

 ASSI {  307}
   (( segid "   B" and resid 6    and name  HB2 ))
   (( segid "   B" and resid 6    and name  HA  ))
      3.533     0.707     0.707 peak   307 weight  1.00000E+00 volume  4.08514E+05 ppm1      4.308 ppm2      1.126

 ASSI {  307}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HA  ))
      3.533     0.707     0.707 peak   307 weight  1.00000E+00 volume  4.08514E+05 ppm1      4.308 ppm2      1.126

 ASSI {  308}
   (  segid "   B" and resid 20   and name  HD1#)
   (( segid "   B" and resid 17   and name  HA  ))
      4.163     0.833     0.833 peak   308 weight  1.00000E+00 volume  1.52694E+05 ppm1      4.207 ppm2      1.100

 ASSI {  308}
   (  segid "   A" and resid 20   and name  HD1#)
   (( segid "   A" and resid 17   and name  HA  ))
      4.163     0.833     0.833 peak   308 weight  1.00000E+00 volume  1.52694E+05 ppm1      4.207 ppm2      1.100

 ASSI {  309}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HG  ))
      3.561     0.712     0.712 peak   309 weight  1.00000E+00 volume  3.89732E+05 ppm1      1.101 ppm2      1.896

 ASSI {  309}
   (( segid "   B" and resid 6    and name  HB2 ))
   (( segid "   B" and resid 6    and name  HG  ))
      3.561     0.712     0.712 peak   309 weight  1.00000E+00 volume  3.89732E+05 ppm1      1.101 ppm2      1.896

 ASSI {  310}
   (( segid "   A" and resid 6    and name  HG  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.433     0.687     0.687 peak   310 weight  1.00000E+00 volume  4.85342E+05 ppm1      1.756 ppm2      1.936

 ASSI {  310}
   (( segid "   A" and resid 6    and name  HG  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.433     0.687     0.687 peak   310 weight  1.00000E+00 volume  4.85342E+05 ppm1      1.756 ppm2      1.936

 ASSI {  311}
   (  segid "   A" and resid 6    and name  HD1#)
   (( segid "   A" and resid 6    and name  HA  ))
      4.570     0.914     0.914 peak   311 weight  1.00000E+00 volume  -8.72637E+04 ppm1      0.644 ppm2      4.324

 ASSI {  311}
   (  segid "   B" and resid 6    and name  HD1#)
   (( segid "   B" and resid 6    and name  HA  ))
      4.570     0.914     0.914 peak   311 weight  1.00000E+00 volume  -8.72637E+04 ppm1      0.644 ppm2      4.324

 ASSI {  313}
   (( segid "   B" and resid 30   and name  HB2 ))
   (( segid "   B" and resid 27   and name  HA  ))
      4.687     0.937     0.937 peak   313 weight  1.00000E+00 volume  7.49032E+04 ppm1      1.790 ppm2      4.184

 ASSI {  313}
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HA  ))
      4.687     0.937     0.937 peak   313 weight  1.00000E+00 volume  7.49032E+04 ppm1      1.790 ppm2      4.184

 ASSI {  314}
   (  segid "   A" and resid 20   and name  HD2#)
   (( segid "   A" and resid 20   and name  HA  ))
      5.227     1.045     1.045 peak   314 weight  1.00000E+00 volume  -3.89536E+04 ppm1      4.188 ppm2      1.001

 ASSI {  314}
   (  segid "   B" and resid 20   and name  HD2#)
   (( segid "   B" and resid 20   and name  HA  ))
      5.227     1.045     1.045 peak   314 weight  1.00000E+00 volume  -3.89536E+04 ppm1      4.188 ppm2      1.001

 ASSI {  315}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HG1 ))
      5.101     1.020     1.020 peak   315 weight  1.00000E+00 volume  4.50949E+04 ppm1      4.243 ppm2      2.357

 ASSI {  315}
   (( segid "   B" and resid 5    and name  HA  ))
   (( segid "   B" and resid 5    and name  HG1 ))
      5.101     1.020     1.020 peak   315 weight  1.00000E+00 volume  4.50949E+04 ppm1      4.243 ppm2      2.357

 ASSI {  316}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 13   and name  HA  ))
      3.866     0.773     0.773 peak   316 weight  1.00000E+00 volume  2.38106E+05 ppm1      4.209 ppm2      1.074

 ASSI {  316}
   (  segid "   B" and resid 13   and name  HD1#)
   (( segid "   B" and resid 13   and name  HA  ))
      3.866     0.773     0.773 peak   316 weight  1.00000E+00 volume  2.38106E+05 ppm1      4.209 ppm2      1.074

 ASSI {  317}
   (( segid "   B" and resid 4    and name  HA  ))
   (( segid "   B" and resid 3    and name  HB2 ))
      3.428     0.686     0.686 peak   317 weight  1.00000E+00 volume  4.90076E+05 ppm1      2.300 ppm2      4.183

 ASSI {  317}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 3    and name  HB2 ))
      3.428     0.686     0.686 peak   317 weight  1.00000E+00 volume  4.90076E+05 ppm1      2.300 ppm2      4.183

 ASSI {  318}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HB2 ))
      3.535     0.707     0.707 peak   318 weight  1.00000E+00 volume  4.07034E+05 ppm1      2.303 ppm2      4.359

 ASSI {  318}
   (( segid "   B" and resid 3    and name  HA  ))
   (( segid "   B" and resid 3    and name  HB2 ))
      3.535     0.707     0.707 peak   318 weight  1.00000E+00 volume  4.07034E+05 ppm1      2.303 ppm2      4.359

 ASSI {  319}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.901     0.780     0.780 peak   319 weight  1.00000E+00 volume  2.25522E+05 ppm1      4.186 ppm2      3.464

 ASSI {  319}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   B" and resid 17   and name  HB2 ))
      3.901     0.780     0.780 peak   319 weight  1.00000E+00 volume  2.25522E+05 ppm1      4.186 ppm2      3.464

! ASSI {  320}
!   (( segid "   B" and resid 4    and name  HA  ))
!   (( segid "   A" and resid 26   and name  HG2 ))
!      4.319     0.864     0.864 peak   320 weight  1.00000E+00 volume  1.22333E+05 ppm1      4.215 ppm2      1.718

! ASSI {  325}
!   (( segid "   B" and resid 11   and name  HA  ))
!   (( segid "   A" and resid 21   and name  HB2 ))
!      5.101     1.020     1.020 peak   325 weight  1.00000E+00 volume  4.50949E+04 ppm1      4.244 ppm2      2.358

 ASSI {  326}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   B" and resid 17   and name  HB1 ))
      5.374     1.075     1.075 peak   326 weight  1.00000E+00 volume  3.29947E+04 ppm1      4.192 ppm2      2.953

 ASSI {  326}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      5.374     1.075     1.075 peak   326 weight  1.00000E+00 volume  3.29947E+04 ppm1      4.192 ppm2      2.953

 ASSI {  328}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 11   and name  HB2 ))
      4.737     0.947     0.947 peak   328 weight  1.00000E+00 volume  7.03192E+04 ppm1      4.324 ppm2      2.177

 ASSI {  328}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      4.737     0.947     0.947 peak   328 weight  1.00000E+00 volume  7.03192E+04 ppm1      4.324 ppm2      2.177

 ASSI {  329}
   (( segid "   A" and resid 20   and name  HB1 ))
   (( segid "   B" and resid 20   and name  HA  ))
      4.202     0.840     0.840 peak   329 weight  1.00000E+00 volume  1.44315E+05 ppm1      1.411 ppm2      4.253

 ASSI {  334}
   (( segid "   B" and resid 26   and name  HA  ))
   (( segid "   B" and resid 26   and name  HG2 ))
      4.079     0.816     0.816 peak   334 weight  1.00000E+00 volume  1.72536E+05 ppm1      4.225 ppm2      1.730

 ASSI {  334}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HG2 ))
      4.079     0.816     0.816 peak   334 weight  1.00000E+00 volume  1.72536E+05 ppm1      4.225 ppm2      1.730

 ASSI {  335}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.760     0.752     0.752 peak   335 weight  1.00000E+00 volume  2.81412E+05 ppm1      4.177 ppm2      3.459

 ASSI {  335}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HA  ))
      3.760     0.752     0.752 peak   335 weight  1.00000E+00 volume  2.81412E+05 ppm1      4.177 ppm2      3.459

! ASSI {  337}
!   (( segid "   A" and resid 11   and name  HA  ))
!   (( segid "   A" and resid 14   and name  HG  ))
!      4.369     0.874     0.874 peak   337 weight  1.00000E+00 volume  1.14239E+05 ppm1      4.231 ppm2      1.441

 ASSI {  339}
   (( segid "   B" and resid 27   and name  HB1 ))
   (( segid "   B" and resid 28   and name  HA  ))
      4.074     0.815     0.815 peak   339 weight  1.00000E+00 volume  1.73764E+05 ppm1      4.003 ppm2      1.719

 ASSI {  339}
   (( segid "   A" and resid 27   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HA  ))
      4.074     0.815     0.815 peak   339 weight  1.00000E+00 volume  1.73764E+05 ppm1      4.003 ppm2      1.719

 ASSI {  341}
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HA  ))
      5.230     1.046     1.046 peak   341 weight  1.00000E+00 volume  3.88303E+04 ppm1      1.427 ppm2      3.547

 ASSI {  341}
   (( segid "   B" and resid 13   and name  HB2 ))
   (( segid "   B" and resid 10   and name  HA  ))
      5.230     1.046     1.046 peak   341 weight  1.00000E+00 volume  3.88303E+04 ppm1      1.427 ppm2      3.547

 ASSI {  343}
   (( segid "   B" and resid 11   and name  HG2 ))
   (( segid "   B" and resid 11   and name  HB2 ))
      4.127     0.825     0.825 peak   343 weight  1.00000E+00 volume  1.60911E+05 ppm1      2.149 ppm2      2.457

 ASSI {  343}
   (( segid "   A" and resid 11   and name  HG2 ))
   (( segid "   A" and resid 11   and name  HB2 ))
      4.127     0.825     0.825 peak   343 weight  1.00000E+00 volume  1.60911E+05 ppm1      2.149 ppm2      2.457

 ASSI {  344}
   (( segid "   B" and resid 8    and name  HB2 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.578     0.716     0.716 peak   344 weight  1.00000E+00 volume  3.78502E+05 ppm1      2.604 ppm2      2.880

 ASSI {  344}
   (( segid "   A" and resid 8    and name  HB2 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.578     0.716     0.716 peak   344 weight  1.00000E+00 volume  3.78502E+05 ppm1      2.604 ppm2      2.880

 ASSI {  345}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   B" and resid 13   and name  HG  ))
      4.568     0.914     0.914 peak   345 weight  1.00000E+00 volume  8.74236E+04 ppm1      2.261 ppm2      2.083

 ASSI {  345}
   (( segid "   B" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HG  ))
      4.568     0.914     0.914 peak   345 weight  1.00000E+00 volume  8.74236E+04 ppm1      2.261 ppm2      2.083

 ASSI {  346}
   (( segid "   A" and resid 3    and name  HG2 ))
   (( segid "   A" and resid 3    and name  HA  ))
      4.232     0.846     0.846 peak   346 weight  1.00000E+00 volume  -1.38289E+05 ppm1      4.343 ppm2      1.989

 ASSI {  346}
   (( segid "   B" and resid 3    and name  HG2 ))
   (( segid "   B" and resid 3    and name  HA  ))
      4.232     0.846     0.846 peak   346 weight  1.00000E+00 volume  -1.38289E+05 ppm1      4.343 ppm2      1.989

 ASSI {  347}
   (( segid "   B" and resid 4    and name  HA  ))
   (( segid "   B" and resid 4    and name  HD2 ))
      5.502     1.100     1.100 peak   347 weight  1.00000E+00 volume  -2.86547E+04 ppm1      4.187 ppm2      0.681

 ASSI {  347}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HD2 ))
      5.502     1.100     1.100 peak   347 weight  1.00000E+00 volume  -2.86547E+04 ppm1      4.187 ppm2      0.681

 ASSI {  354}
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HG  ))
      3.943     0.789     0.789 peak   354 weight  1.00000E+00 volume  2.11442E+05 ppm1      1.908 ppm2      1.441

 ASSI {  354}
   (( segid "   B" and resid 26   and name  HB2 ))
   (( segid "   B" and resid 27   and name  HG  ))
      3.943     0.789     0.789 peak   354 weight  1.00000E+00 volume  2.11442E+05 ppm1      1.908 ppm2      1.441

 
set message=off echo=off end
end
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  25.630   5.252  -7.671
    2    H2   GLY   1           H2       GLY   1  25.664   6.898  -7.295
    3    H3   GLY   1           H3       GLY   1  24.429   6.279  -8.268
    4    HA2  GLY   1           HA2      GLY   1  24.872   5.611  -5.417
    5    HA3  GLY   1           HA3      GLY   1  23.633   6.697  -6.029
    6    H    SER   2           H        SER   2  23.156   4.373  -4.481
    7    HA   SER   2           HA       SER   2  21.389   2.982  -6.332
    8    HB2  SER   2           HB3      SER   2  23.540   1.664  -6.178
    9    HB3  SER   2           HB2      SER   2  23.183   1.414  -4.470
   10    HG   SER   2           HG       SER   2  22.169   0.171  -6.659
   11    H    MET   3           H        MET   3  22.490   2.986  -2.909
   12    HA   MET   3           HA       MET   3  20.079   2.048  -1.844
   13    HB2  MET   3           HB3      MET   3  22.179   3.788  -0.549
   14    HB3  MET   3           HB2      MET   3  20.870   2.993   0.314
   15    HG2  MET   3           HG3      MET   3  21.755   0.822  -0.604
   16    HG3  MET   3           HG2      MET   3  23.170   1.725  -1.133
   17    HE1  MET   3           HE1      MET   3  21.068   0.451   1.894
   18    HE2  MET   3           HE2      MET   3  21.023   2.190   2.183
   19    HE3  MET   3           HE3      MET   3  21.924   1.137   3.274
   20    H    LYS   4           H        LYS   4  21.018   5.259  -2.817
   21    HA   LYS   4           HA       LYS   4  19.011   6.711  -1.470
   22    HB2  LYS   4           HB3      LYS   4  20.477   7.245  -4.053
   23    HB3  LYS   4           HB2      LYS   4  19.308   8.370  -3.379
   24    HG2  LYS   4           HG3      LYS   4  20.661   8.595  -1.368
   25    HG3  LYS   4           HG2      LYS   4  21.827   7.442  -2.013
   26    HD2  LYS   4           HD3      LYS   4  22.214   8.963  -3.926
   27    HD3  LYS   4           HD2      LYS   4  21.126  10.133  -3.177
   28    HE2  LYS   4           HE3      LYS   4  22.602  10.206  -1.207
   29    HE3  LYS   4           HE2      LYS   4  23.700   9.084  -2.007
   30    HZ1  LYS   4           HZ1      LYS   4  23.994  10.735  -3.772
   31    HZ2  LYS   4           HZ2      LYS   4  24.477  11.329  -2.269
   32    HZ3  LYS   4           HZ3      LYS   4  23.001  11.816  -2.934
   33    H    GLN   5           H        GLN   5  19.009   4.864  -4.440
   34    HA   GLN   5           HA       GLN   5  16.486   5.761  -5.395
   35    HB2  GLN   5           HB3      GLN   5  17.917   3.164  -5.987
   36    HB3  GLN   5           HB2      GLN   5  16.611   3.869  -6.930
   37    HG2  GLN   5           HG3      GLN   5  18.029   5.769  -7.491
   38    HG3  GLN   5           HG2      GLN   5  19.337   5.080  -6.531
   39   HE21  GLN   5          HE21      GLN   5  17.493   4.840  -9.456
   40   HE22  GLN   5          HE22      GLN   5  18.534   3.719 -10.261
   41    H    LEU   6           H        LEU   6  17.554   3.077  -3.382
   42    HA   LEU   6           HA       LEU   6  15.053   1.792  -3.133
   43    HB2  LEU   6           HB3      LEU   6  17.540   1.804  -1.451
   44    HB3  LEU   6           HB2      LEU   6  16.094   1.002  -0.880
   45    HG   LEU   6           HG       LEU   6  17.586  -0.611  -1.874
   46   HD11  LEU   6          HD11      LEU   6  15.179  -0.955  -2.138
   47   HD12  LEU   6          HD12      LEU   6  16.096  -1.636  -3.481
   48   HD13  LEU   6          HD13      LEU   6  15.232  -0.114  -3.687
   49   HD21  LEU   6          HD21      LEU   6  18.828   0.846  -3.372
   50   HD22  LEU   6          HD22      LEU   6  17.403   1.032  -4.395
   51   HD23  LEU   6          HD23      LEU   6  18.181  -0.544  -4.244
   52    H    GLU   7           H        GLU   7  16.628   4.319  -1.228
   53    HA   GLU   7           HA       GLU   7  14.693   4.508   0.801
   54    HB2  GLU   7           HB3      GLU   7  16.543   6.630  -0.297
   55    HB3  GLU   7           HB2      GLU   7  15.631   6.771   1.199
   56    HG2  GLU   7           HG3      GLU   7  16.834   4.860   2.121
   57    HG3  GLU   7           HG2      GLU   7  17.739   4.706   0.616
   58    H    ASP   8           H        ASP   8  14.923   6.051  -2.364
   59    HA   ASP   8           HA       ASP   8  12.571   7.656  -1.943
   60    HB2  ASP   8           HB3      ASP   8  14.245   7.054  -4.376
   61    HB3  ASP   8           HB2      ASP   8  12.751   7.978  -4.484
   62    H    LYS   9           H        LYS   9  13.228   4.451  -2.986
   63    HA   LYS   9           HA       LYS   9  10.804   4.097  -4.482
   64    HB2  LYS   9           HB3      LYS   9  12.919   2.800  -4.875
   65    HB3  LYS   9           HB2      LYS   9  12.633   1.973  -3.352
   66    HG2  LYS   9           HG3      LYS   9  11.894   0.571  -5.135
   67    HG3  LYS   9           HG2      LYS   9  10.477   1.156  -4.262
   68    HD2  LYS   9           HD3      LYS   9  10.074   2.825  -5.974
   69    HD3  LYS   9           HD2      LYS   9  11.540   2.336  -6.826
   70    HE2  LYS   9           HE3      LYS   9  10.577   0.098  -7.158
   71    HE3  LYS   9           HE2      LYS   9   9.104   0.622  -6.345
   72    HZ1  LYS   9           HZ1      LYS   9   8.856   0.720  -8.734
   73    HZ2  LYS   9           HZ2      LYS   9  10.191   1.744  -8.870
   74    HZ3  LYS   9           HZ3      LYS   9   8.793   2.280  -8.086
   75    H    VAL  10           H        VAL  10  11.970   3.075  -1.276
   76    HA   VAL  10           HA       VAL  10   9.619   1.719  -0.529
   77    HB   VAL  10           HB       VAL  10  11.692   1.359   0.689
   78   HG11  VAL  10          HG11      VAL  10  11.375   4.176   1.711
   79   HG12  VAL  10          HG12      VAL  10  12.620   3.606   0.601
   80   HG13  VAL  10          HG13      VAL  10  12.578   3.007   2.259
   81   HG21  VAL  10          HG21      VAL  10   9.502   2.511   2.410
   82   HG22  VAL  10          HG22      VAL  10  10.820   1.500   2.996
   83   HG23  VAL  10          HG23      VAL  10   9.646   0.842   1.855
   84    H    GLU  11           H        GLU  11  10.594   5.101  -0.143
   85    HA   GLU  11           HA       GLU  11   8.372   5.908   1.403
   86    HB2  GLU  11           HB3      GLU  11  10.453   7.238   1.140
   87    HB3  GLU  11           HB2      GLU  11  10.013   7.562  -0.530
   88    HG2  GLU  11           HG3      GLU  11   8.066   8.793   0.171
   89    HG3  GLU  11           HG2      GLU  11   8.371   8.379   1.857
   90    H    GLU  12           H        GLU  12   8.906   5.605  -2.062
   91    HA   GLU  12           HA       GLU  12   6.526   6.798  -2.944
   92    HB2  GLU  12           HB3      GLU  12   8.409   6.190  -4.428
   93    HB3  GLU  12           HB2      GLU  12   8.013   4.491  -4.211
   94    HG2  GLU  12           HG3      GLU  12   7.155   5.285  -6.319
   95    HG3  GLU  12           HG2      GLU  12   5.824   4.879  -5.240
   96    H    LEU  13           H        LEU  13   7.183   3.298  -2.410
   97    HA   LEU  13           HA       LEU  13   4.473   2.573  -2.719
   98    HB2  LEU  13           HB3      LEU  13   6.773   1.120  -1.444
   99    HB3  LEU  13           HB2      LEU  13   5.148   0.466  -1.438
  100    HG   LEU  13           HG       LEU  13   5.213   0.839  -3.983
  101   HD11  LEU  13          HD11      LEU  13   7.434   0.649  -4.980
  102   HD12  LEU  13          HD12      LEU  13   8.165   0.793  -3.382
  103   HD13  LEU  13          HD13      LEU  13   7.260   2.146  -4.063
  104   HD21  LEU  13          HD21      LEU  13   6.204  -1.375  -4.308
  105   HD22  LEU  13          HD22      LEU  13   5.127  -1.344  -2.912
  106   HD23  LEU  13          HD23      LEU  13   6.874  -1.314  -2.678
  107    H    LEU  14           H        LEU  14   6.269   3.616   0.110
  108    HA   LEU  14           HA       LEU  14   4.319   3.104   2.035
  109    HB2  LEU  14           HB3      LEU  14   6.576   3.856   2.581
  110    HB3  LEU  14           HB2      LEU  14   6.286   5.396   1.814
  111    HG   LEU  14           HG       LEU  14   6.275   5.333   4.341
  112   HD11  LEU  14          HD11      LEU  14   3.856   6.460   2.963
  113   HD12  LEU  14          HD12      LEU  14   5.437   7.230   3.093
  114   HD13  LEU  14          HD13      LEU  14   4.471   6.949   4.542
  115   HD21  LEU  14          HD21      LEU  14   4.959   3.285   4.613
  116   HD22  LEU  14          HD22      LEU  14   3.558   4.105   3.922
  117   HD23  LEU  14          HD23      LEU  14   4.232   4.653   5.454
  118    H    SER  15           H        SER  15   4.732   5.799  -0.200
  119    HA   SER  15           HA       SER  15   2.421   7.216   0.600
  120    HB2  SER  15           HB3      SER  15   3.813   7.255  -2.088
  121    HB3  SER  15           HB2      SER  15   2.717   8.486  -1.459
  122    HG   SER  15           HG       SER  15   5.267   7.761  -0.427
  123    H    LYS  16           H        LYS  16   3.007   4.677  -1.826
  124    HA   LYS  16           HA       LYS  16   0.538   4.797  -3.123
  125    HB2  LYS  16           HB3      LYS  16   2.367   2.456  -2.615
  126    HB3  LYS  16           HB2      LYS  16   0.928   2.350  -3.617
  127    HG2  LYS  16           HG3      LYS  16   1.857   4.105  -5.082
  128    HG3  LYS  16           HG2      LYS  16   3.325   4.104  -4.103
  129    HD2  LYS  16           HD3      LYS  16   3.678   2.742  -6.061
  130    HD3  LYS  16           HD2      LYS  16   3.628   1.707  -4.636
  131    HE2  LYS  16           HE3      LYS  16   2.379   0.703  -6.464
  132    HE3  LYS  16           HE2      LYS  16   1.300   1.130  -5.139
  133    HZ1  LYS  16           HZ1      LYS  16   0.624   3.095  -6.341
  134    HZ2  LYS  16           HZ2      LYS  16   0.392   1.730  -7.310
  135    HZ3  LYS  16           HZ3      LYS  16   1.708   2.750  -7.593
  136    H    ASN  17           H        ASN  17   1.473   2.686  -0.385
  137    HA   ASN  17           HA       ASN  17  -1.158   1.624  -0.152
  138    HB2  ASN  17           HB3      ASN  17  -0.400   0.397   1.716
  139    HB3  ASN  17           HB2      ASN  17   0.988   0.500   0.643
  140   HD21  ASN  17          HD21      ASN  17   2.774   1.693   1.270
  141   HD22  ASN  17          HD22      ASN  17   2.976   2.277   2.885
  142    H    TYR  18           H        TYR  18   0.430   4.408   1.151
  143    HA   TYR  18           HA       TYR  18  -1.325   4.931   3.301
  144    HB2  TYR  18           HB3      TYR  18   0.863   6.036   3.069
  145    HB3  TYR  18           HB2      TYR  18   0.295   6.864   1.625
  146    HD1  TYR  18           HD1      TYR  18  -1.042   8.833   1.780
  147    HD2  TYR  18           HD2      TYR  18  -0.082   6.624   5.286
  148    HE1  TYR  18           HE1      TYR  18  -1.857  10.688   3.168
  149    HE2  TYR  18           HE2      TYR  18  -0.901   8.475   6.681
  150    HH   TYR  18           HH       TYR  18  -2.730  11.044   5.440
  151    H    HIS  19           H        HIS  19  -1.242   6.159  -0.039
  152    HA   HIS  19           HA       HIS  19  -3.692   7.599   0.202
  153    HB2  HIS  19           HB3      HIS  19  -2.026   6.748  -2.160
  154    HB3  HIS  19           HB2      HIS  19  -3.562   7.581  -2.365
  155    HD1  HIS  19           HD1      HIS  19  -3.383  10.033  -2.510
  156    HD2  HIS  19           HD2      HIS  19  -0.186   8.380  -0.437
  157    HE1  HIS  19           HE1      HIS  19  -1.858  11.955  -1.983
  158    HE2  HIS  19           HE2      HIS  19  -0.037  10.958  -0.555
  159    H    LEU  20           H        LEU  20  -2.822   4.370  -0.806
  160    HA   LEU  20           HA       LEU  20  -5.282   3.663  -1.983
  161    HB2  LEU  20           HB3      LEU  20  -3.176   2.500  -2.403
  162    HB3  LEU  20           HB2      LEU  20  -3.120   1.978  -0.732
  163    HG   LEU  20           HG       LEU  20  -5.133   0.635  -1.089
  164   HD11  LEU  20          HD11      LEU  20  -5.927   0.242  -3.387
  165   HD12  LEU  20          HD12      LEU  20  -4.853   1.519  -3.957
  166   HD13  LEU  20          HD13      LEU  20  -6.183   1.907  -2.865
  167   HD21  LEU  20          HD21      LEU  20  -4.068  -1.092  -2.428
  168   HD22  LEU  20          HD22      LEU  20  -2.894  -0.325  -1.362
  169   HD23  LEU  20          HD23      LEU  20  -2.934   0.090  -3.075
  170    H    GLU  21           H        GLU  21  -4.009   3.449   1.313
  171    HA   GLU  21           HA       GLU  21  -6.192   2.000   2.399
  172    HB2  GLU  21           HB3      GLU  21  -3.989   2.286   3.528
  173    HB3  GLU  21           HB2      GLU  21  -4.387   3.975   3.809
  174    HG2  GLU  21           HG3      GLU  21  -6.289   3.309   5.175
  175    HG3  GLU  21           HG2      GLU  21  -5.911   1.613   4.883
  176    H    ASN  22           H        ASN  22  -5.654   5.380   1.713
  177    HA   ASN  22           HA       ASN  22  -7.885   6.413   3.111
  178    HB2  ASN  22           HB3      ASN  22  -6.452   7.476   0.670
  179    HB3  ASN  22           HB2      ASN  22  -7.677   8.364   1.566
  180   HD21  ASN  22          HD21      ASN  22  -4.924   9.071   1.084
  181   HD22  ASN  22          HD22      ASN  22  -4.184   9.241   2.636
  182    H    GLU  23           H        GLU  23  -7.495   4.780   0.090
  183    HA   GLU  23           HA       GLU  23  -9.976   5.574  -1.077
  184    HB2  GLU  23           HB3      GLU  23  -8.316   3.116  -1.695
  185    HB3  GLU  23           HB2      GLU  23  -9.571   3.836  -2.727
  186    HG2  GLU  23           HG3      GLU  23  -6.899   5.030  -2.002
  187    HG3  GLU  23           HG2      GLU  23  -7.394   4.403  -3.573
  188    H    VAL  24           H        VAL  24  -8.868   2.792   0.807
  189    HA   VAL  24           HA       VAL  24 -11.230   1.280   0.711
  190    HB   VAL  24           HB       VAL  24  -9.359   1.457   3.086
  191   HG11  VAL  24          HG11      VAL  24 -11.164  -0.776   2.146
  192   HG12  VAL  24          HG12      VAL  24 -11.460   0.283   3.526
  193   HG13  VAL  24          HG13      VAL  24 -10.090  -0.827   3.546
  194   HG21  VAL  24          HG21      VAL  24  -9.154  -0.338   0.672
  195   HG22  VAL  24          HG22      VAL  24  -8.124  -0.401   2.100
  196   HG23  VAL  24          HG23      VAL  24  -8.083   1.010   1.046
  197    H    ALA  25           H        ALA  25 -10.247   3.997   2.697
  198    HA   ALA  25           HA       ALA  25 -12.417   3.849   4.536
  199    HB1  ALA  25           HB1      ALA  25 -10.721   6.246   3.869
  200    HB2  ALA  25           HB2      ALA  25 -10.284   4.994   5.030
  201    HB3  ALA  25           HB3      ALA  25 -11.697   6.007   5.317
  202    H    ARG  26           H        ARG  26 -12.047   5.213   1.363
  203    HA   ARG  26           HA       ARG  26 -14.265   7.014   1.617
  204    HB2  ARG  26           HB3      ARG  26 -13.697   7.786  -0.447
  205    HB3  ARG  26           HB2      ARG  26 -12.193   6.975  -0.057
  206    HG2  ARG  26           HG3      ARG  26 -12.845   5.051  -1.376
  207    HG3  ARG  26           HG2      ARG  26 -14.399   5.814  -1.735
  208    HD2  ARG  26           HD2      ARG  26 -13.180   7.684  -2.811
  209    HD3  ARG  26           HD1      ARG  26 -11.670   6.820  -2.531
  210    HE   ARG  26           HE       ARG  26 -13.407   5.114  -3.911
  211   HH11  ARG  26          HH11      ARG  26 -11.656   8.102  -4.454
  212   HH12  ARG  26          HH12      ARG  26 -11.516   7.853  -6.163
  213   HH21  ARG  26          HH21      ARG  26 -13.213   4.785  -6.157
  214   HH22  ARG  26          HH22      ARG  26 -12.406   5.971  -7.132
  215    H    LEU  27           H        LEU  27 -13.746   3.800   0.241
  216    HA   LEU  27           HA       LEU  27 -16.412   3.432  -0.641
  217    HB2  LEU  27           HB3      LEU  27 -14.215   1.503   0.030
  218    HB3  LEU  27           HB2      LEU  27 -15.831   0.926  -0.303
  219    HG   LEU  27           HG       LEU  27 -15.720   2.050  -2.528
  220   HD11  LEU  27          HD11      LEU  27 -13.486   2.627  -3.394
  221   HD12  LEU  27          HD12      LEU  27 -12.843   2.462  -1.759
  222   HD13  LEU  27          HD13      LEU  27 -14.039   3.706  -2.115
  223   HD21  LEU  27          HD21      LEU  27 -15.330  -0.318  -2.323
  224   HD22  LEU  27          HD22      LEU  27 -13.632  -0.029  -1.937
  225   HD23  LEU  27          HD23      LEU  27 -14.253   0.372  -3.537
  226    H    LYS  28           H        LYS  28 -14.941   3.182   2.506
  227    HA   LYS  28           HA       LYS  28 -16.804   1.626   3.850
  228    HB2  LYS  28           HB3      LYS  28 -15.246   4.025   4.812
  229    HB3  LYS  28           HB2      LYS  28 -16.209   3.011   5.874
  230    HG2  LYS  28           HG3      LYS  28 -13.888   2.062   4.210
  231    HG3  LYS  28           HG2      LYS  28 -13.823   2.450   5.930
  232    HD2  LYS  28           HD3      LYS  28 -15.476   0.692   6.379
  233    HD3  LYS  28           HD2      LYS  28 -15.518   0.299   4.660
  234    HE2  LYS  28           HE3      LYS  28 -14.085  -1.270   5.781
  235    HE3  LYS  28           HE2      LYS  28 -13.099  -0.220   4.768
  236    HZ1  LYS  28           HZ1      LYS  28 -12.553   1.084   6.747
  237    HZ2  LYS  28           HZ2      LYS  28 -12.073  -0.525   6.912
  238    HZ3  LYS  28           HZ3      LYS  28 -13.460   0.025   7.704
  239    H    LYS  29           H        LYS  29 -16.969   5.056   2.994
  240    HA   LYS  29           HA       LYS  29 -19.460   5.463   4.345
  241    HB2  LYS  29           HB3      LYS  29 -17.864   7.103   2.393
  242    HB3  LYS  29           HB2      LYS  29 -19.469   7.587   2.904
  243    HG2  LYS  29           HG3      LYS  29 -17.828   8.758   4.205
  244    HG3  LYS  29           HG2      LYS  29 -18.689   7.624   5.244
  245    HD2  LYS  29           HD3      LYS  29 -16.819   6.039   5.024
  246    HD3  LYS  29           HD2      LYS  29 -15.958   7.214   4.029
  247    HE2  LYS  29           HE3      LYS  29 -15.138   7.310   6.300
  248    HE3  LYS  29           HE2      LYS  29 -15.998   8.799   5.912
  249    HZ1  LYS  29           HZ1      LYS  29 -17.129   6.519   7.439
  250    HZ2  LYS  29           HZ2      LYS  29 -17.916   7.974   7.102
  251    HZ3  LYS  29           HZ3      LYS  29 -16.563   7.961   8.113
  252    H    LEU  30           H        LEU  30 -18.430   4.550   1.140
  253    HA   LEU  30           HA       LEU  30 -20.951   4.896  -0.133
  254    HB2  LEU  30           HB3      LEU  30 -18.709   3.017  -0.889
  255    HB3  LEU  30           HB2      LEU  30 -20.023   3.533  -1.927
  256    HG   LEU  30           HG       LEU  30 -17.820   5.294  -0.846
  257   HD11  LEU  30          HD11      LEU  30 -17.078   3.771  -2.599
  258   HD12  LEU  30          HD12      LEU  30 -17.112   5.436  -3.175
  259   HD13  LEU  30          HD13      LEU  30 -18.392   4.316  -3.640
  260   HD21  LEU  30          HD21      LEU  30 -18.770   7.026  -2.294
  261   HD22  LEU  30          HD22      LEU  30 -19.905   6.533  -1.038
  262   HD23  LEU  30          HD23      LEU  30 -20.112   5.955  -2.691
  263    H    VAL  31           H        VAL  31 -19.634   2.510   1.959
  264    HA   VAL  31           HA       VAL  31 -21.759   0.602   1.362
  265    HB   VAL  31           HB       VAL  31 -19.516   0.420   3.396
  266   HG11  VAL  31          HG11      VAL  31 -20.092  -1.952   3.531
  267   HG12  VAL  31          HG12      VAL  31 -21.452  -1.686   2.441
  268   HG13  VAL  31          HG13      VAL  31 -21.440  -0.934   4.036
  269   HG21  VAL  31          HG21      VAL  31 -18.497  -1.161   1.837
  270   HG22  VAL  31          HG22      VAL  31 -18.680   0.435   1.110
  271   HG23  VAL  31          HG23      VAL  31 -19.795  -0.862   0.682
  272    H    GLY  32           H        GLY  32 -20.908   3.055   3.676
  273    HA2  GLY  32           HA3      GLY  32 -22.772   2.050   5.667
  274    HA3  GLY  32           HA2      GLY  32 -21.692   3.418   5.852
  275    H    GLU  33           H        GLU  33 -22.544   4.723   3.397
  276    HA   GLU  33           HA       GLU  33 -24.033   6.276   2.692
  277    HB2  GLU  33           HB3      GLU  33 -26.030   4.583   4.199
  278    HB3  GLU  33           HB2      GLU  33 -26.476   6.043   3.334
  279    HG2  GLU  33           HG3      GLU  33 -26.994   4.280   1.892
  280    HG3  GLU  33           HG2      GLU  33 -25.490   4.955   1.272
  281    H1   GLY   1           H1       GLY   1  25.641  -5.456   6.977
  282    H2   GLY   1           H2       GLY   1  25.675  -7.101   6.591
  283    H3   GLY   1           H3       GLY   1  24.442  -6.489   7.570
  284    HA2  GLY   1           HA2      GLY   1  24.880  -5.812   4.718
  285    HA3  GLY   1           HA3      GLY   1  23.640  -6.898   5.331
  286    H    SER   2           H        SER   2  23.162  -4.564   3.792
  287    HA   SER   2           HA       SER   2  21.402  -3.179   5.654
  288    HB2  SER   2           HB3      SER   2  23.559  -1.867   5.492
  289    HB3  SER   2           HB2      SER   2  23.187  -1.604   3.789
  290    HG   SER   2           HG       SER   2  22.213  -0.353   5.980
  291    H    MET   3           H        MET   3  22.486  -3.175   2.223
  292    HA   MET   3           HA       MET   3  20.072  -2.229   1.177
  293    HB2  MET   3           HB3      MET   3  22.161  -3.966  -0.135
  294    HB3  MET   3           HB2      MET   3  20.850  -3.167  -0.989
  295    HG2  MET   3           HG3      MET   3  21.742  -0.999  -0.069
  296    HG3  MET   3           HG2      MET   3  23.158  -1.905   0.451
  297    HE1  MET   3           HE1      MET   3  21.044  -0.627  -2.568
  298    HE2  MET   3           HE2      MET   3  21.002  -2.366  -2.858
  299    HE3  MET   3           HE3      MET   3  21.899  -1.311  -3.950
  300    H    LYS   4           H        LYS   4  21.011  -5.451   2.129
  301    HA   LYS   4           HA       LYS   4  18.996  -6.892   0.789
  302    HB2  LYS   4           HB3      LYS   4  20.476  -7.434   3.362
  303    HB3  LYS   4           HB2      LYS   4  19.300  -8.556   2.697
  304    HG2  LYS   4           HG3      LYS   4  20.639  -8.787   0.677
  305    HG3  LYS   4           HG2      LYS   4  21.811  -7.635   1.310
  306    HD2  LYS   4           HD3      LYS   4  22.207  -9.156   3.225
  307    HD3  LYS   4           HD2      LYS   4  21.118 -10.326   2.477
  308    HE2  LYS   4           HE3      LYS   4  22.583 -10.389   0.500
  309    HE3  LYS   4           HE2      LYS   4  23.681  -9.264   1.294
  310    HZ1  LYS   4           HZ1      LYS   4  23.995 -10.919   3.056
  311    HZ2  LYS   4           HZ2      LYS   4  24.471 -11.503   1.545
  312    HZ3  LYS   4           HZ3      LYS   4  23.003 -12.001   2.216
  313    H    GLN   5           H        GLN   5  19.009  -5.053   3.763
  314    HA   GLN   5           HA       GLN   5  16.489  -5.954   4.725
  315    HB2  GLN   5           HB3      GLN   5  17.924  -3.360   5.318
  316    HB3  GLN   5           HB2      GLN   5  16.622  -4.066   6.265
  317    HG2  GLN   5           HG3      GLN   5  18.044  -5.969   6.812
  318    HG3  GLN   5           HG2      GLN   5  19.348  -5.271   5.853
  319   HE21  GLN   5          HE21      GLN   5  17.514  -5.060   8.781
  320   HE22  GLN   5          HE22      GLN   5  18.547  -3.934   9.588
  321    H    LEU   6           H        LEU   6  17.556  -3.265   2.713
  322    HA   LEU   6           HA       LEU   6  15.056  -1.972   2.483
  323    HB2  LEU   6           HB3      LEU   6  17.538  -1.981   0.794
  324    HB3  LEU   6           HB2      LEU   6  16.091  -1.177   0.227
  325    HG   LEU   6           HG       LEU   6  17.586   0.431   1.222
  326   HD11  LEU   6          HD11      LEU   6  15.181   0.783   1.496
  327   HD12  LEU   6          HD12      LEU   6  16.105   1.456   2.838
  328   HD13  LEU   6          HD13      LEU   6  15.238  -0.065   3.041
  329   HD21  LEU   6          HD21      LEU   6  18.828  -1.038   2.703
  330   HD22  LEU   6          HD22      LEU   6  17.409  -1.224   3.733
  331   HD23  LEU   6          HD23      LEU   6  18.193   0.349   3.587
  332    H    GLU   7           H        GLU   7  16.619  -4.499   0.568
  333    HA   GLU   7           HA       GLU   7  14.677  -4.677  -1.457
  334    HB2  GLU   7           HB3      GLU   7  16.522  -6.811  -0.373
  335    HB3  GLU   7           HB2      GLU   7  15.608  -6.938  -1.869
  336    HG2  GLU   7           HG3      GLU   7  16.822  -5.030  -2.781
  337    HG3  GLU   7           HG2      GLU   7  17.731  -4.889  -1.278
  338    H    ASP   8           H        ASP   8  14.912  -6.227   1.705
  339    HA   ASP   8           HA       ASP   8  12.556  -7.830   1.292
  340    HB2  ASP   8           HB3      ASP   8  14.244  -7.236   3.715
  341    HB3  ASP   8           HB2      ASP   8  12.749  -8.158   3.829
  342    H    LYS   9           H        LYS   9  13.219  -4.627   2.323
  343    HA   LYS   9           HA       LYS   9  10.806  -4.273   3.840
  344    HB2  LYS   9           HB3      LYS   9  12.927  -2.982   4.226
  345    HB3  LYS   9           HB2      LYS   9  12.634  -2.150   2.706
  346    HG2  LYS   9           HG3      LYS   9  11.909  -0.751   4.500
  347    HG3  LYS   9           HG2      LYS   9  10.487  -1.328   3.630
  348    HD2  LYS   9           HD3      LYS   9  10.084  -3.000   5.338
  349    HD3  LYS   9           HD2      LYS   9  11.554  -2.520   6.187
  350    HE2  LYS   9           HE3      LYS   9  10.594  -0.275   6.524
  351    HE3  LYS   9           HE2      LYS   9   9.114  -0.805   5.725
  352    HZ1  LYS   9           HZ1      LYS   9   8.889  -0.905   8.117
  353    HZ2  LYS   9           HZ2      LYS   9  10.231  -1.923   8.237
  354    HZ3  LYS   9           HZ3      LYS   9   8.829  -2.466   7.469
  355    H    VAL  10           H        VAL  10  11.961  -3.237   0.634
  356    HA   VAL  10           HA       VAL  10   9.609  -1.881  -0.099
  357    HB   VAL  10           HB       VAL  10  11.676  -1.520  -1.321
  358   HG11  VAL  10          HG11      VAL  10  11.353  -4.333  -2.356
  359   HG12  VAL  10          HG12      VAL  10  12.603  -3.768  -1.249
  360   HG13  VAL  10          HG13      VAL  10  12.552  -3.163  -2.904
  361   HG21  VAL  10          HG21      VAL  10   9.472  -2.658  -3.032
  362   HG22  VAL  10          HG22      VAL  10  10.792  -1.653  -3.625
  363   HG23  VAL  10          HG23      VAL  10   9.629  -0.993  -2.474
  364    H    GLU  11           H        GLU  11  10.579  -5.263  -0.502
  365    HA   GLU  11           HA       GLU  11   8.348  -6.060  -2.039
  366    HB2  GLU  11           HB3      GLU  11  10.426  -7.394  -1.785
  367    HB3  GLU  11           HB2      GLU  11   9.991  -7.720  -0.116
  368    HG2  GLU  11           HG3      GLU  11   8.040  -8.948  -0.814
  369    HG3  GLU  11           HG2      GLU  11   8.343  -8.530  -2.499
  370    H    GLU  12           H        GLU  12   8.894  -5.763   1.420
  371    HA   GLU  12           HA       GLU  12   6.519  -6.962   2.308
  372    HB2  GLU  12           HB3      GLU  12   8.410  -6.365   3.788
  373    HB3  GLU  12           HB2      GLU  12   8.011  -4.665   3.584
  374    HG2  GLU  12           HG3      GLU  12   7.163  -5.474   5.689
  375    HG3  GLU  12           HG2      GLU  12   5.828  -5.058   4.618
  376    H    LEU  13           H        LEU  13   7.176  -3.460   1.789
  377    HA   LEU  13           HA       LEU  13   4.468  -2.737   2.111
  378    HB2  LEU  13           HB3      LEU  13   6.764  -1.279   0.831
  379    HB3  LEU  13           HB2      LEU  13   5.139  -0.624   0.837
  380    HG   LEU  13           HG       LEU  13   5.218  -1.008   3.380
  381   HD11  LEU  13          HD11      LEU  13   7.443  -0.825   4.368
  382   HD12  LEU  13          HD12      LEU  13   8.167  -0.959   2.766
  383   HD13  LEU  13          HD13      LEU  13   7.266  -2.316   3.443
  384   HD21  LEU  13          HD21      LEU  13   6.214   1.204   3.710
  385   HD22  LEU  13          HD22      LEU  13   5.127   1.179   2.322
  386   HD23  LEU  13          HD23      LEU  13   6.873   1.148   2.075
  387    H    LEU  14           H        LEU  14   6.252  -3.774  -0.729
  388    HA   LEU  14           HA       LEU  14   4.296  -3.250  -2.647
  389    HB2  LEU  14           HB3      LEU  14   6.550  -4.002  -3.204
  390    HB3  LEU  14           HB2      LEU  14   6.263  -5.544  -2.440
  391    HG   LEU  14           HG       LEU  14   6.244  -5.480  -4.965
  392   HD11  LEU  14          HD11      LEU  14   3.827  -6.601  -3.578
  393   HD12  LEU  14          HD12      LEU  14   5.404  -7.377  -3.719
  394   HD13  LEU  14          HD13      LEU  14   4.430  -7.087  -5.162
  395   HD21  LEU  14          HD21      LEU  14   4.932  -3.427  -5.227
  396   HD22  LEU  14          HD22      LEU  14   3.530  -4.248  -4.538
  397   HD23  LEU  14          HD23      LEU  14   4.203  -4.791  -6.073
  398    H    SER  15           H        SER  15   4.713  -5.953  -0.423
  399    HA   SER  15           HA       SER  15   2.395  -7.360  -1.221
  400    HB2  SER  15           HB3      SER  15   3.811  -7.419   1.453
  401    HB3  SER  15           HB2      SER  15   2.701  -8.641   0.831
  402    HG   SER  15           HG       SER  15   5.265  -7.938  -0.177
  403    H    LYS  16           H        LYS  16   3.000  -4.832   1.214
  404    HA   LYS  16           HA       LYS  16   0.538  -4.955   2.524
  405    HB2  LYS  16           HB3      LYS  16   2.368  -2.617   2.015
  406    HB3  LYS  16           HB2      LYS  16   0.933  -2.510   3.022
  407    HG2  LYS  16           HG3      LYS  16   1.864  -4.271   4.479
  408    HG3  LYS  16           HG2      LYS  16   3.329  -4.270   3.495
  409    HD2  LYS  16           HD3      LYS  16   3.693  -2.910   5.449
  410    HD3  LYS  16           HD2      LYS  16   3.630  -1.870   4.029
  411    HE2  LYS  16           HE3      LYS  16   2.391  -0.872   5.864
  412    HE3  LYS  16           HE2      LYS  16   1.302  -1.305   4.550
  413    HZ1  LYS  16           HZ1      LYS  16   0.641  -3.269   5.763
  414    HZ2  LYS  16           HZ2      LYS  16   0.420  -1.906   6.737
  415    HZ3  LYS  16           HZ3      LYS  16   1.742  -2.926   7.000
  416    H    ASN  17           H        ASN  17   1.458  -2.842  -0.218
  417    HA   ASN  17           HA       ASN  17  -1.172  -1.773  -0.432
  418    HB2  ASN  17           HB3      ASN  17  -0.420  -0.542  -2.302
  419    HB3  ASN  17           HB2      ASN  17   0.973  -0.650  -1.235
  420   HD21  ASN  17          HD21      ASN  17   2.755  -1.838  -1.872
  421   HD22  ASN  17          HD22      ASN  17   2.948  -2.423  -3.489
  422    H    TYR  18           H        TYR  18   0.410  -4.554  -1.753
  423    HA   TYR  18           HA       TYR  18  -1.356  -5.070  -3.891
  424    HB2  TYR  18           HB3      TYR  18   0.832  -6.175  -3.671
  425    HB3  TYR  18           HB2      TYR  18   0.268  -7.010  -2.229
  426    HD1  TYR  18           HD1      TYR  18  -1.073  -8.972  -2.386
  427    HD2  TYR  18           HD2      TYR  18  -0.121  -6.759  -5.891
  428    HE1  TYR  18           HE1      TYR  18  -1.900 -10.821  -3.771
  429    HE2  TYR  18           HE2      TYR  18  -0.950  -8.605  -7.288
  430    HH   TYR  18           HH       TYR  18  -2.789 -11.169  -6.042
  431    H    HIS  19           H        HIS  19  -1.259  -6.316  -0.558
  432    HA   HIS  19           HA       HIS  19  -3.716  -7.743  -0.788
  433    HB2  HIS  19           HB3      HIS  19  -2.036  -6.902   1.570
  434    HB3  HIS  19           HB2      HIS  19  -3.575  -7.729   1.779
  435    HD1  HIS  19           HD1      HIS  19  -3.408 -10.184   1.916
  436    HD2  HIS  19           HD2      HIS  19  -0.205  -8.537  -0.156
  437    HE1  HIS  19           HE1      HIS  19  -1.887 -12.113   1.376
  438    HE2  HIS  19           HE2      HIS  19  -0.065 -11.114  -0.047
  439    H    LEU  20           H        LEU  20  -2.832  -4.516   0.222
  440    HA   LEU  20           HA       LEU  20  -5.287  -3.811   1.415
  441    HB2  LEU  20           HB3      LEU  20  -3.179  -2.652   1.830
  442    HB3  LEU  20           HB2      LEU  20  -3.128  -2.125   0.162
  443    HG   LEU  20           HG       LEU  20  -5.137  -0.782   0.529
  444   HD11  LEU  20          HD11      LEU  20  -5.924  -0.395   2.831
  445   HD12  LEU  20          HD12      LEU  20  -4.856  -1.681   3.392
  446   HD13  LEU  20          HD13      LEU  20  -6.189  -2.055   2.299
  447   HD21  LEU  20          HD21      LEU  20  -4.065   0.936   1.872
  448   HD22  LEU  20          HD22      LEU  20  -2.899   0.173   0.796
  449   HD23  LEU  20          HD23      LEU  20  -2.931  -0.252   2.507
  450    H    GLU  21           H        GLU  21  -4.027  -3.588  -1.886
  451    HA   GLU  21           HA       GLU  21  -6.212  -2.133  -2.957
  452    HB2  GLU  21           HB3      GLU  21  -4.014  -2.420  -4.097
  453    HB3  GLU  21           HB2      GLU  21  -4.419  -4.105  -4.384
  454    HG2  GLU  21           HG3      GLU  21  -6.321  -3.428  -5.741
  455    HG3  GLU  21           HG2      GLU  21  -5.943  -1.734  -5.439
  456    H    ASN  22           H        ASN  22  -5.680  -5.516  -2.281
  457    HA   ASN  22           HA       ASN  22  -7.917  -6.539  -3.680
  458    HB2  ASN  22           HB3      ASN  22  -6.475  -7.614  -1.249
  459    HB3  ASN  22           HB2      ASN  22  -7.705  -8.499  -2.143
  460   HD21  ASN  22          HD21      ASN  22  -4.962  -9.216  -1.683
  461   HD22  ASN  22          HD22      ASN  22  -4.227  -9.376  -3.240
  462    H    GLU  23           H        GLU  23  -7.512  -4.920  -0.653
  463    HA   GLU  23           HA       GLU  23  -9.988  -5.711   0.523
  464    HB2  GLU  23           HB3      GLU  23  -8.320  -3.256   1.136
  465    HB3  GLU  23           HB2      GLU  23  -9.572  -3.973   2.172
  466    HG2  GLU  23           HG3      GLU  23  -6.910  -5.172   1.432
  467    HG3  GLU  23           HG2      GLU  23  -7.399  -4.555   3.008
  468    H    VAL  24           H        VAL  24  -8.888  -2.929  -1.361
  469    HA   VAL  24           HA       VAL  24 -11.246  -1.412  -1.253
  470    HB   VAL  24           HB       VAL  24  -9.382  -1.582  -3.634
  471   HG11  VAL  24          HG11      VAL  24 -11.179   0.649  -2.682
  472   HG12  VAL  24          HG12      VAL  24 -11.482  -0.404  -4.064
  473   HG13  VAL  24          HG13      VAL  24 -10.111   0.704  -4.085
  474   HG21  VAL  24          HG21      VAL  24  -9.167   0.206  -1.215
  475   HG22  VAL  24          HG22      VAL  24  -8.141   0.269  -2.646
  476   HG23  VAL  24          HG23      VAL  24  -8.100  -1.145  -1.595
  477    H    ALA  25           H        ALA  25 -10.273  -4.122  -3.248
  478    HA   ALA  25           HA       ALA  25 -12.453  -3.970  -5.075
  479    HB1  ALA  25           HB1      ALA  25 -10.754  -6.370  -4.432
  480    HB2  ALA  25           HB2      ALA  25 -10.323  -5.112  -5.589
  481    HB3  ALA  25           HB3      ALA  25 -11.739  -6.122  -5.872
  482    H    ARG  26           H        ARG  26 -12.072  -5.333  -1.908
  483    HA   ARG  26           HA       ARG  26 -14.292  -7.137  -2.157
  484    HB2  ARG  26           HB3      ARG  26 -13.716  -7.916  -0.100
  485    HB3  ARG  26           HB2      ARG  26 -12.212  -7.109  -0.494
  486    HG2  ARG  26           HG3      ARG  26 -12.853  -5.186   0.833
  487    HG3  ARG  26           HG2      ARG  26 -14.407  -5.947   1.198
  488    HD2  ARG  26           HD2      ARG  26 -13.183  -7.822   2.259
  489    HD3  ARG  26           HD1      ARG  26 -11.674  -6.958   1.977
  490    HE   ARG  26           HE       ARG  26 -13.395  -5.256   3.369
  491   HH11  ARG  26          HH11      ARG  26 -11.650  -8.248   3.891
  492   HH12  ARG  26          HH12      ARG  26 -11.517  -8.017   5.604
  493   HH21  ARG  26          HH21      ARG  26 -13.203  -4.948   5.616
  494   HH22  ARG  26          HH22      ARG  26 -12.409  -6.146   6.584
  495    H    LEU  27           H        LEU  27 -13.764  -3.929  -0.775
  496    HA   LEU  27           HA       LEU  27 -16.424  -3.560   0.118
  497    HB2  LEU  27           HB3      LEU  27 -14.226  -1.634  -0.555
  498    HB3  LEU  27           HB2      LEU  27 -15.840  -1.055  -0.214
  499    HG   LEU  27           HG       LEU  27 -15.721  -2.184   2.008
  500   HD11  LEU  27          HD11      LEU  27 -13.484  -2.772   2.860
  501   HD12  LEU  27          HD12      LEU  27 -12.850  -2.603   1.221
  502   HD13  LEU  27          HD13      LEU  27 -14.048  -3.845   1.581
  503   HD21  LEU  27          HD21      LEU  27 -15.325   0.183   1.809
  504   HD22  LEU  27          HD22      LEU  27 -13.630  -0.110   1.414
  505   HD23  LEU  27          HD23      LEU  27 -14.245  -0.513   3.016
  506    H    LYS  28           H        LYS  28 -14.963  -3.293  -3.036
  507    HA   LYS  28           HA       LYS  28 -16.833  -1.738  -4.369
  508    HB2  LYS  28           HB3      LYS  28 -15.283  -4.137  -5.343
  509    HB3  LYS  28           HB2      LYS  28 -16.249  -3.117  -6.400
  510    HG2  LYS  28           HG3      LYS  28 -13.921  -2.176  -4.737
  511    HG3  LYS  28           HG2      LYS  28 -13.857  -2.560  -6.457
  512    HD2  LYS  28           HD3      LYS  28 -15.510  -0.800  -6.900
  513    HD3  LYS  28           HD2      LYS  28 -15.551  -0.412  -5.180
  514    HE2  LYS  28           HE3      LYS  28 -14.119   1.162  -6.298
  515    HE3  LYS  28           HE2      LYS  28 -13.133   0.111  -5.285
  516    HZ1  LYS  28           HZ1      LYS  28 -12.581  -1.184  -7.263
  517    HZ2  LYS  28           HZ2      LYS  28 -12.106   0.430  -7.426
  518    HZ3  LYS  28           HZ3      LYS  28 -13.490  -0.129  -8.220
  519    H    LYS  29           H        LYS  29 -16.999  -5.172  -3.528
  520    HA   LYS  29           HA       LYS  29 -19.503  -5.557  -4.860
  521    HB2  LYS  29           HB3      LYS  29 -17.904  -7.223  -2.925
  522    HB3  LYS  29           HB2      LYS  29 -19.510  -7.697  -3.439
  523    HG2  LYS  29           HG3      LYS  29 -17.855  -8.874  -4.729
  524    HG3  LYS  29           HG2      LYS  29 -18.723  -7.760  -5.780
  525    HD2  LYS  29           HD3      LYS  29 -16.860  -6.154  -5.557
  526    HD3  LYS  29           HD2      LYS  29 -15.992  -7.329  -4.568
  527    HE2  LYS  29           HE3      LYS  29 -15.181  -7.419  -6.840
  528    HE3  LYS  29           HE2      LYS  29 -16.037  -8.909  -6.453
  529    HZ1  LYS  29           HZ1      LYS  29 -17.175  -6.627  -7.969
  530    HZ2  LYS  29           HZ2      LYS  29 -17.963  -8.083  -7.632
  531    HZ3  LYS  29           HZ3      LYS  29 -16.616  -8.070  -8.648
  532    H    LEU  30           H        LEU  30 -18.447  -4.670  -1.658
  533    HA   LEU  30           HA       LEU  30 -20.958  -5.022  -0.372
  534    HB2  LEU  30           HB3      LEU  30 -18.716  -3.140   0.372
  535    HB3  LEU  30           HB2      LEU  30 -20.024  -3.656   1.418
  536    HG   LEU  30           HG       LEU  30 -17.831  -5.421   0.322
  537   HD11  LEU  30          HD11      LEU  30 -17.078  -3.902   2.077
  538   HD12  LEU  30          HD12      LEU  30 -17.114  -5.569   2.648
  539   HD13  LEU  30          HD13      LEU  30 -18.390  -4.448   3.118
  540   HD21  LEU  30          HD21      LEU  30 -18.782  -7.151   1.772
  541   HD22  LEU  30          HD22      LEU  30 -19.919  -6.653   0.521
  542   HD23  LEU  30          HD23      LEU  30 -20.119  -6.075   2.175
  543    H    VAL  31           H        VAL  31 -19.657  -2.622  -2.461
  544    HA   VAL  31           HA       VAL  31 -21.781  -0.717  -1.850
  545    HB   VAL  31           HB       VAL  31 -19.545  -0.533  -3.893
  546   HG11  VAL  31          HG11      VAL  31 -20.118   1.844  -4.018
  547   HG12  VAL  31          HG12      VAL  31 -21.476   1.574  -2.926
  548   HG13  VAL  31          HG13      VAL  31 -21.468   0.827  -4.523
  549   HG21  VAL  31          HG21      VAL  31 -18.516   1.045  -2.335
  550   HG22  VAL  31          HG22      VAL  31 -18.696  -0.554  -1.614
  551   HG23  VAL  31          HG23      VAL  31 -19.809   0.741  -1.174
  552    H    GLY  32           H        GLY  32 -20.943  -3.160  -4.181
  553    HA2  GLY  32           HA3      GLY  32 -22.816  -2.141  -6.163
  554    HA3  GLY  32           HA2      GLY  32 -21.737  -3.512  -6.356
  555    H    GLU  33           H        GLU  33 -22.574  -4.825  -3.900
  556    HA   GLU  33           HA       GLU  33 -24.058  -6.386  -3.196
  557    HB2  GLU  33           HB3      GLU  33 -26.066  -4.686  -4.682
  558    HB3  GLU  33           HB2      GLU  33 -26.504  -6.151  -3.820
  559    HG2  GLU  33           HG3      GLU  33 -27.011  -4.398  -2.369
  560    HG3  GLU  33           HG2      GLU  33 -25.503  -5.073  -1.762
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  24.744  -0.807  -4.555
    2    H2   GLY   1           H2       GLY   1  26.186  -0.223  -5.214
    3    H3   GLY   1           H3       GLY   1  24.851  -0.502  -6.215
    4    HA2  GLY   1           HA2      GLY   1  25.019   1.542  -4.075
    5    HA3  GLY   1           HA3      GLY   1  25.110   1.854  -5.804
    6    H    SER   2           H        SER   2  23.313   3.133  -5.922
    7    HA   SER   2           HA       SER   2  21.115   3.536  -6.441
    8    HB2  SER   2           HB3      SER   2  20.692   0.577  -5.930
    9    HB3  SER   2           HB2      SER   2  19.533   1.672  -6.681
   10    HG   SER   2           HG       SER   2  20.754   1.778  -8.468
   11    H    MET   3           H        MET   3  22.313   3.572  -3.748
   12    HA   MET   3           HA       MET   3  20.451   2.756  -1.801
   13    HB2  MET   3           HB3      MET   3  22.614   4.850  -1.800
   14    HB3  MET   3           HB2      MET   3  21.645   4.496  -0.371
   15    HG2  MET   3           HG3      MET   3  23.477   2.614  -1.838
   16    HG3  MET   3           HG2      MET   3  23.726   3.315  -0.241
   17    HE1  MET   3           HE1      MET   3  20.870   1.561   1.828
   18    HE2  MET   3           HE2      MET   3  20.685   3.066   0.927
   19    HE3  MET   3           HE3      MET   3  22.155   2.767   1.852
   20    H    LYS   4           H        LYS   4  20.762   5.661  -3.716
   21    HA   LYS   4           HA       LYS   4  18.798   7.188  -2.319
   22    HB2  LYS   4           HB3      LYS   4  19.881   7.412  -5.134
   23    HB3  LYS   4           HB2      LYS   4  18.762   8.565  -4.424
   24    HG2  LYS   4           HG3      LYS   4  20.386   9.210  -2.775
   25    HG3  LYS   4           HG2      LYS   4  21.498   7.954  -3.321
   26    HD2  LYS   4           HD3      LYS   4  21.577   9.045  -5.541
   27    HD3  LYS   4           HD2      LYS   4  20.554  10.336  -4.910
   28    HE2  LYS   4           HE3      LYS   4  22.248  10.930  -3.289
   29    HE3  LYS   4           HE2      LYS   4  23.254   9.578  -3.804
   30    HZ1  LYS   4           HZ1      LYS   4  23.475  10.600  -5.972
   31    HZ2  LYS   4           HZ2      LYS   4  23.993  11.669  -4.770
   32    HZ3  LYS   4           HZ3      LYS   4  22.486  11.889  -5.504
   33    H    GLN   5           H        GLN   5  18.766   4.899  -4.957
   34    HA   GLN   5           HA       GLN   5  16.074   5.430  -5.754
   35    HB2  GLN   5           HB3      GLN   5  17.856   3.059  -6.340
   36    HB3  GLN   5           HB2      GLN   5  16.329   3.405  -7.139
   37    HG2  GLN   5           HG3      GLN   5  17.264   5.504  -7.992
   38    HG3  GLN   5           HG2      GLN   5  18.799   5.125  -7.217
   39   HE21  GLN   5          HE21      GLN   5  18.157   5.558 -10.029
   40   HE22  GLN   5          HE22      GLN   5  18.654   4.126 -10.861
   41    H    LEU   6           H        LEU   6  17.658   2.932  -3.790
   42    HA   LEU   6           HA       LEU   6  15.381   1.355  -3.332
   43    HB2  LEU   6           HB3      LEU   6  18.045   1.637  -2.077
   44    HB3  LEU   6           HB2      LEU   6  16.803   0.894  -1.092
   45    HG   LEU   6           HG       LEU   6  18.164  -0.777  -2.260
   46   HD11  LEU   6          HD11      LEU   6  15.830  -1.279  -1.719
   47   HD12  LEU   6          HD12      LEU   6  16.355  -2.098  -3.190
   48   HD13  LEU   6          HD13      LEU   6  15.336  -0.664  -3.296
   49   HD21  LEU   6          HD21      LEU   6  18.742   0.517  -4.243
   50   HD22  LEU   6          HD22      LEU   6  17.064   0.450  -4.784
   51   HD23  LEU   6          HD23      LEU   6  18.018  -1.030  -4.682
   52    H    GLU   7           H        GLU   7  16.701   4.081  -1.466
   53    HA   GLU   7           HA       GLU   7  14.799   3.853   0.630
   54    HB2  GLU   7           HB3      GLU   7  15.575   6.017   1.380
   55    HB3  GLU   7           HB2      GLU   7  16.954   5.047   0.886
   56    HG2  GLU   7           HG3      GLU   7  17.035   6.251  -1.239
   57    HG3  GLU   7           HG2      GLU   7  15.659   7.229  -0.732
   58    H    ASP   8           H        ASP   8  14.734   5.321  -2.504
   59    HA   ASP   8           HA       ASP   8  12.415   6.935  -1.966
   60    HB2  ASP   8           HB3      ASP   8  14.109   6.386  -4.337
   61    HB3  ASP   8           HB2      ASP   8  12.443   6.867  -4.644
   62    H    LYS   9           H        LYS   9  13.061   3.724  -3.175
   63    HA   LYS   9           HA       LYS   9  10.526   3.230  -4.310
   64    HB2  LYS   9           HB3      LYS   9  12.566   1.336  -3.143
   65    HB3  LYS   9           HB2      LYS   9  11.113   0.808  -3.980
   66    HG2  LYS   9           HG3      LYS   9  11.864   1.971  -5.999
   67    HG3  LYS   9           HG2      LYS   9  13.329   2.471  -5.153
   68    HD2  LYS   9           HD3      LYS   9  13.937   0.117  -4.832
   69    HD3  LYS   9           HD2      LYS   9  12.480  -0.372  -5.700
   70    HE2  LYS   9           HE3      LYS   9  14.725   1.291  -6.836
   71    HE3  LYS   9           HE2      LYS   9  14.481  -0.428  -7.129
   72    HZ1  LYS   9           HZ1      LYS   9  13.624   0.919  -8.940
   73    HZ2  LYS   9           HZ2      LYS   9  12.586   1.732  -7.882
   74    HZ3  LYS   9           HZ3      LYS   9  12.371   0.082  -8.178
   75    H    VAL  10           H        VAL  10  11.815   2.571  -1.064
   76    HA   VAL  10           HA       VAL  10   9.448   1.364  -0.106
   77    HB   VAL  10           HB       VAL  10  11.600   1.013   1.005
   78   HG11  VAL  10          HG11      VAL  10  12.543   3.247   0.774
   79   HG12  VAL  10          HG12      VAL  10  12.582   2.709   2.452
   80   HG13  VAL  10          HG13      VAL  10  11.364   3.871   1.928
   81   HG21  VAL  10          HG21      VAL  10   9.526   2.277   2.791
   82   HG22  VAL  10          HG22      VAL  10  10.833   1.222   3.328
   83   HG23  VAL  10          HG23      VAL  10   9.574   0.595   2.265
   84    H    GLU  11           H        GLU  11  10.555   4.718  -0.168
   85    HA   GLU  11           HA       GLU  11   8.359   5.706   1.391
   86    HB2  GLU  11           HB3      GLU  11  10.315   7.095  -0.445
   87    HB3  GLU  11           HB2      GLU  11   9.092   7.939   0.497
   88    HG2  GLU  11           HG3      GLU  11  11.301   6.234   1.624
   89    HG3  GLU  11           HG2      GLU  11  11.287   7.994   1.561
   90    H    GLU  12           H        GLU  12   9.016   5.251  -2.025
   91    HA   GLU  12           HA       GLU  12   6.830   6.578  -3.124
   92    HB2  GLU  12           HB3      GLU  12   8.646   5.673  -4.482
   93    HB3  GLU  12           HB2      GLU  12   8.173   4.036  -4.056
   94    HG2  GLU  12           HG3      GLU  12   6.087   4.288  -5.240
   95    HG3  GLU  12           HG2      GLU  12   6.468   5.971  -5.600
   96    H    LEU  13           H        LEU  13   7.033   3.073  -2.360
   97    HA   LEU  13           HA       LEU  13   4.234   2.758  -2.692
   98    HB2  LEU  13           HB3      LEU  13   6.293   0.931  -1.494
   99    HB3  LEU  13           HB2      LEU  13   4.585   0.533  -1.496
  100    HG   LEU  13           HG       LEU  13   4.740   1.018  -4.049
  101   HD11  LEU  13          HD11      LEU  13   7.003   1.890  -4.050
  102   HD12  LEU  13          HD12      LEU  13   6.896   0.423  -5.022
  103   HD13  LEU  13          HD13      LEU  13   7.609   0.362  -3.411
  104   HD21  LEU  13          HD21      LEU  13   5.325  -1.346  -4.446
  105   HD22  LEU  13          HD22      LEU  13   4.160  -1.134  -3.140
  106   HD23  LEU  13          HD23      LEU  13   5.852  -1.471  -2.767
  107    H    LEU  14           H        LEU  14   6.145   3.655   0.085
  108    HA   LEU  14           HA       LEU  14   4.214   3.287   2.073
  109    HB2  LEU  14           HB3      LEU  14   6.548   3.892   2.519
  110    HB3  LEU  14           HB2      LEU  14   6.313   5.449   1.773
  111    HG   LEU  14           HG       LEU  14   6.426   5.416   4.276
  112   HD11  LEU  14          HD11      LEU  14   5.536   7.315   3.065
  113   HD12  LEU  14          HD12      LEU  14   4.677   7.067   4.585
  114   HD13  LEU  14          HD13      LEU  14   3.936   6.575   3.063
  115   HD21  LEU  14          HD21      LEU  14   5.100   3.398   4.654
  116   HD22  LEU  14          HD22      LEU  14   3.669   4.231   4.048
  117   HD23  LEU  14          HD23      LEU  14   4.450   4.783   5.528
  118    H    SER  15           H        SER  15   4.744   5.909  -0.222
  119    HA   SER  15           HA       SER  15   2.478   7.438   0.586
  120    HB2  SER  15           HB3      SER  15   3.930   7.470  -2.072
  121    HB3  SER  15           HB2      SER  15   2.892   8.741  -1.426
  122    HG   SER  15           HG       SER  15   5.400   7.870  -0.403
  123    H    LYS  16           H        LYS  16   3.092   4.891  -1.741
  124    HA   LYS  16           HA       LYS  16   0.708   5.008  -3.207
  125    HB2  LYS  16           HB3      LYS  16   2.717   3.685  -3.818
  126    HB3  LYS  16           HB2      LYS  16   2.347   2.570  -2.511
  127    HG2  LYS  16           HG3      LYS  16   0.255   1.967  -3.605
  128    HG3  LYS  16           HG2      LYS  16   0.621   3.089  -4.919
  129    HD2  LYS  16           HD3      LYS  16   2.678   1.815  -5.398
  130    HD3  LYS  16           HD2      LYS  16   2.246   0.671  -4.129
  131    HE2  LYS  16           HE3      LYS  16   1.639  -0.196  -6.317
  132    HE3  LYS  16           HE2      LYS  16   0.201   0.099  -5.340
  133    HZ1  LYS  16           HZ1      LYS  16  -0.198   2.123  -6.539
  134    HZ2  LYS  16           HZ2      LYS  16  -0.021   0.863  -7.651
  135    HZ3  LYS  16           HZ3      LYS  16   1.241   1.955  -7.409
  136    H    ASN  17           H        ASN  17   1.514   2.911  -0.400
  137    HA   ASN  17           HA       ASN  17  -1.112   1.843  -0.248
  138    HB2  ASN  17           HB3      ASN  17  -0.435   0.716   1.726
  139    HB3  ASN  17           HB2      ASN  17   0.984   0.761   0.689
  140   HD21  ASN  17          HD21      ASN  17  -0.472   1.942   3.606
  141   HD22  ASN  17          HD22      ASN  17   0.955   2.638   4.281
  142    H    TYR  18           H        TYR  18   0.335   4.732   0.957
  143    HA   TYR  18           HA       TYR  18  -1.511   5.323   3.005
  144    HB2  TYR  18           HB3      TYR  18   0.555   6.576   2.832
  145    HB3  TYR  18           HB2      TYR  18   0.114   7.158   1.230
  146    HD1  TYR  18           HD1      TYR  18  -0.900   9.230   1.022
  147    HD2  TYR  18           HD2      TYR  18  -1.094   7.213   4.760
  148    HE1  TYR  18           HE1      TYR  18  -1.983  11.196   2.020
  149    HE2  TYR  18           HE2      TYR  18  -2.176   9.175   5.769
  150    HH   TYR  18           HH       TYR  18  -2.406  11.549   5.398
  151    H    HIS  19           H        HIS  19  -1.425   6.317  -0.412
  152    HA   HIS  19           HA       HIS  19  -3.947   7.625  -0.331
  153    HB2  HIS  19           HB3      HIS  19  -2.215   6.630  -2.581
  154    HB3  HIS  19           HB2      HIS  19  -3.803   7.323  -2.889
  155    HD1  HIS  19           HD1      HIS  19  -3.845   9.776  -3.221
  156    HD2  HIS  19           HD2      HIS  19  -0.462   8.547  -1.137
  157    HE1  HIS  19           HE1      HIS  19  -2.445  11.841  -2.924
  158    HE2  HIS  19           HE2      HIS  19  -0.350  11.053  -1.771
  159    H    LEU  20           H        LEU  20  -2.924   4.358  -1.005
  160    HA   LEU  20           HA       LEU  20  -5.373   3.457  -2.095
  161    HB2  LEU  20           HB3      LEU  20  -3.178   2.408  -2.486
  162    HB3  LEU  20           HB2      LEU  20  -3.114   1.937  -0.801
  163    HG   LEU  20           HG       LEU  20  -5.064   0.500  -1.134
  164   HD11  LEU  20          HD11      LEU  20  -5.842   0.015  -3.412
  165   HD12  LEU  20          HD12      LEU  20  -4.805   1.303  -4.026
  166   HD13  LEU  20          HD13      LEU  20  -6.149   1.688  -2.950
  167   HD21  LEU  20          HD21      LEU  20  -3.927  -1.214  -2.447
  168   HD22  LEU  20          HD22      LEU  20  -2.805  -0.398  -1.361
  169   HD23  LEU  20          HD23      LEU  20  -2.818   0.002  -3.079
  170    H    GLU  21           H        GLU  21  -4.021   3.598   1.167
  171    HA   GLU  21           HA       GLU  21  -6.070   2.105   2.442
  172    HB2  GLU  21           HB3      GLU  21  -3.876   2.656   3.491
  173    HB3  GLU  21           HB2      GLU  21  -4.388   4.334   3.608
  174    HG2  GLU  21           HG3      GLU  21  -6.243   3.654   5.062
  175    HG3  GLU  21           HG2      GLU  21  -5.687   1.984   4.968
  176    H    ASN  22           H        ASN  22  -5.686   5.505   1.638
  177    HA   ASN  22           HA       ASN  22  -8.054   6.419   2.884
  178    HB2  ASN  22           HB3      ASN  22  -6.245   7.517   0.768
  179    HB3  ASN  22           HB2      ASN  22  -7.790   8.301   1.083
  180   HD21  ASN  22          HD21      ASN  22  -4.647   7.535   2.372
  181   HD22  ASN  22          HD22      ASN  22  -4.720   8.619   3.718
  182    H    GLU  23           H        GLU  23  -7.452   4.637   0.051
  183    HA   GLU  23           HA       GLU  23  -9.816   5.354  -1.397
  184    HB2  GLU  23           HB3      GLU  23  -7.811   4.539  -2.546
  185    HB3  GLU  23           HB2      GLU  23  -7.936   2.994  -1.681
  186    HG2  GLU  23           HG3      GLU  23  -8.734   2.698  -3.907
  187    HG3  GLU  23           HG2      GLU  23 -10.104   2.606  -2.803
  188    H    VAL  24           H        VAL  24  -8.857   2.728   0.775
  189    HA   VAL  24           HA       VAL  24 -11.246   1.214   0.509
  190    HB   VAL  24           HB       VAL  24  -9.519   1.296   2.989
  191   HG11  VAL  24          HG11      VAL  24 -11.675   0.116   3.156
  192   HG12  VAL  24          HG12      VAL  24 -10.298  -0.970   3.330
  193   HG13  VAL  24          HG13      VAL  24 -11.196  -0.923   1.811
  194   HG21  VAL  24          HG21      VAL  24  -8.158  -0.463   2.063
  195   HG22  VAL  24          HG22      VAL  24  -8.107   0.932   0.987
  196   HG23  VAL  24          HG23      VAL  24  -9.105  -0.463   0.578
  197    H    ALA  25           H        ALA  25 -10.221   3.815   2.635
  198    HA   ALA  25           HA       ALA  25 -12.258   3.623   4.544
  199    HB1  ALA  25           HB1      ALA  25 -10.155   4.924   4.799
  200    HB2  ALA  25           HB2      ALA  25 -11.610   5.791   5.287
  201    HB3  ALA  25           HB3      ALA  25 -10.849   6.153   3.739
  202    H    ARG  26           H        ARG  26 -12.136   5.512   1.512
  203    HA   ARG  26           HA       ARG  26 -14.587   6.805   2.014
  204    HB2  ARG  26           HB3      ARG  26 -14.578   7.009  -0.599
  205    HB3  ARG  26           HB2      ARG  26 -13.508   7.967   0.398
  206    HG2  ARG  26           HG3      ARG  26 -11.651   6.561  -0.142
  207    HG3  ARG  26           HG2      ARG  26 -12.701   5.404  -0.984
  208    HD2  ARG  26           HD2      ARG  26 -12.997   6.783  -2.783
  209    HD3  ARG  26           HD1      ARG  26 -12.796   8.250  -1.834
  210    HE   ARG  26           HE       ARG  26 -10.315   7.120  -1.857
  211   HH11  ARG  26          HH11      ARG  26 -12.619   8.092  -4.302
  212   HH12  ARG  26          HH12      ARG  26 -11.408   8.532  -5.463
  213   HH21  ARG  26          HH21      ARG  26  -8.696   7.711  -3.394
  214   HH22  ARG  26          HH22      ARG  26  -9.182   8.318  -4.945
  215    H    LEU  27           H        LEU  27 -13.828   3.794   0.274
  216    HA   LEU  27           HA       LEU  27 -16.490   3.305  -0.535
  217    HB2  LEU  27           HB3      LEU  27 -14.138   1.496  -0.104
  218    HB3  LEU  27           HB2      LEU  27 -15.724   0.832  -0.404
  219    HG   LEU  27           HG       LEU  27 -15.847   2.000  -2.542
  220   HD11  LEU  27          HD11      LEU  27 -13.026   2.876  -1.958
  221   HD12  LEU  27          HD12      LEU  27 -14.443   3.923  -2.045
  222   HD13  LEU  27          HD13      LEU  27 -13.877   3.085  -3.489
  223   HD21  LEU  27          HD21      LEU  27 -15.033  -0.250  -2.526
  224   HD22  LEU  27          HD22      LEU  27 -13.398   0.306  -2.164
  225   HD23  LEU  27          HD23      LEU  27 -14.134   0.689  -3.720
  226    H    LYS  28           H        LYS  28 -14.762   2.596   2.447
  227    HA   LYS  28           HA       LYS  28 -16.622   0.983   3.716
  228    HB2  LYS  28           HB3      LYS  28 -14.334   1.583   4.552
  229    HB3  LYS  28           HB2      LYS  28 -14.973   3.147   5.032
  230    HG2  LYS  28           HG3      LYS  28 -14.850   1.682   6.940
  231    HG3  LYS  28           HG2      LYS  28 -16.540   2.020   6.554
  232    HD2  LYS  28           HD3      LYS  28 -16.738  -0.129   5.436
  233    HD3  LYS  28           HD2      LYS  28 -15.031  -0.461   5.733
  234    HE2  LYS  28           HE3      LYS  28 -17.117  -0.049   7.869
  235    HE3  LYS  28           HE2      LYS  28 -16.529  -1.616   7.320
  236    HZ1  LYS  28           HZ1      LYS  28 -15.395  -0.966   9.318
  237    HZ2  LYS  28           HZ2      LYS  28 -14.918   0.503   8.635
  238    HZ3  LYS  28           HZ3      LYS  28 -14.295  -0.948   8.034
  239    H    LYS  29           H        LYS  29 -16.580   4.495   3.348
  240    HA   LYS  29           HA       LYS  29 -18.840   4.963   5.016
  241    HB2  LYS  29           HB3      LYS  29 -17.515   6.659   2.899
  242    HB3  LYS  29           HB2      LYS  29 -18.807   7.212   3.949
  243    HG2  LYS  29           HG3      LYS  29 -16.117   6.245   4.885
  244    HG3  LYS  29           HG2      LYS  29 -16.592   7.936   4.715
  245    HD2  LYS  29           HD3      LYS  29 -18.396   7.571   6.348
  246    HD3  LYS  29           HD2      LYS  29 -17.867   5.899   6.541
  247    HE2  LYS  29           HE3      LYS  29 -15.703   6.671   7.352
  248    HE3  LYS  29           HE2      LYS  29 -16.208   8.346   7.133
  249    HZ1  LYS  29           HZ1      LYS  29 -16.443   7.683   9.425
  250    HZ2  LYS  29           HZ2      LYS  29 -17.432   6.383   8.993
  251    HZ3  LYS  29           HZ3      LYS  29 -17.970   7.967   8.761
  252    H    LEU  30           H        LEU  30 -18.349   4.380   1.586
  253    HA   LEU  30           HA       LEU  30 -20.999   5.004   0.779
  254    HB2  LEU  30           HB3      LEU  30 -18.688   3.588  -0.439
  255    HB3  LEU  30           HB2      LEU  30 -20.270   3.285  -1.126
  256    HG   LEU  30           HG       LEU  30 -20.544   5.698  -1.553
  257   HD11  LEU  30          HD11      LEU  30 -17.706   5.924  -0.565
  258   HD12  LEU  30          HD12      LEU  30 -19.139   6.565   0.240
  259   HD13  LEU  30          HD13      LEU  30 -18.646   7.208  -1.327
  260   HD21  LEU  30          HD21      LEU  30 -18.023   4.485  -2.668
  261   HD22  LEU  30          HD22      LEU  30 -18.877   5.869  -3.349
  262   HD23  LEU  30          HD23      LEU  30 -19.655   4.288  -3.304
  263    H    VAL  31           H        VAL  31 -19.444   2.126   2.026
  264    HA   VAL  31           HA       VAL  31 -21.763   0.459   1.622
  265    HB   VAL  31           HB       VAL  31 -19.352  -0.066   3.388
  266   HG11  VAL  31          HG11      VAL  31 -21.300  -1.447   3.935
  267   HG12  VAL  31          HG12      VAL  31 -20.003  -2.405   3.224
  268   HG13  VAL  31          HG13      VAL  31 -21.405  -1.962   2.252
  269   HG21  VAL  31          HG21      VAL  31 -18.689   0.288   1.069
  270   HG22  VAL  31          HG22      VAL  31 -19.868  -0.914   0.542
  271   HG23  VAL  31          HG23      VAL  31 -18.496  -1.401   1.539
  272    H    GLY  32           H        GLY  32 -20.529   2.570   4.092
  273    HA2  GLY  32           HA3      GLY  32 -22.189   1.508   6.199
  274    HA3  GLY  32           HA2      GLY  32 -21.194   2.955   6.277
  275    H    GLU  33           H        GLU  33 -22.098   4.576   4.406
  276    HA   GLU  33           HA       GLU  33 -23.680   6.116   3.920
  277    HB2  GLU  33           HB3      GLU  33 -24.688   4.135   2.779
  278    HB3  GLU  33           HB2      GLU  33 -25.638   3.834   4.225
  279    HG2  GLU  33           HG3      GLU  33 -26.971   4.960   2.563
  280    HG3  GLU  33           HG2      GLU  33 -26.728   6.007   3.959
  281    H1   GLY   1           H1       GLY   1  24.767   0.606   3.827
  282    H2   GLY   1           H2       GLY   1  26.213   0.029   4.478
  283    H3   GLY   1           H3       GLY   1  24.887   0.309   5.487
  284    HA2  GLY   1           HA2      GLY   1  25.056  -1.751   3.360
  285    HA3  GLY   1           HA3      GLY   1  25.142  -2.048   5.091
  286    H    SER   2           H        SER   2  23.341  -3.325   5.237
  287    HA   SER   2           HA       SER   2  21.140  -3.718   5.750
  288    HB2  SER   2           HB3      SER   2  20.734  -0.759   5.228
  289    HB3  SER   2           HB2      SER   2  19.572  -1.844   5.992
  290    HG   SER   2           HG       SER   2  20.778  -1.925   7.775
  291    H    MET   3           H        MET   3  22.320  -3.783   3.056
  292    HA   MET   3           HA       MET   3  20.458  -2.961   1.109
  293    HB2  MET   3           HB3      MET   3  22.618  -5.056   1.119
  294    HB3  MET   3           HB2      MET   3  21.646  -4.719  -0.310
  295    HG2  MET   3           HG3      MET   3  23.487  -2.826   1.131
  296    HG3  MET   3           HG2      MET   3  23.727  -3.542  -0.460
  297    HE1  MET   3           HE1      MET   3  20.864  -1.796  -2.529
  298    HE2  MET   3           HE2      MET   3  20.674  -3.290  -1.611
  299    HE3  MET   3           HE3      MET   3  22.140  -3.013  -2.550
  300    H    LYS   4           H        LYS   4  20.781  -5.858   3.032
  301    HA   LYS   4           HA       LYS   4  18.802  -7.386   1.664
  302    HB2  LYS   4           HB3      LYS   4  19.895  -7.592   4.475
  303    HB3  LYS   4           HB2      LYS   4  18.770  -8.746   3.780
  304    HG2  LYS   4           HG3      LYS   4  20.384  -9.405   2.124
  305    HG3  LYS   4           HG2      LYS   4  21.505  -8.153   2.662
  306    HD2  LYS   4           HD3      LYS   4  21.582  -9.233   4.883
  307    HD3  LYS   4           HD2      LYS   4  20.551 -10.523   4.261
  308    HE2  LYS   4           HE3      LYS   4  22.240 -11.127   2.639
  309    HE3  LYS   4           HE2      LYS   4  23.251  -9.780   3.152
  310    HZ1  LYS   4           HZ1      LYS   4  23.468 -10.800   5.320
  311    HZ2  LYS   4           HZ2      LYS   4  23.975 -11.877   4.119
  312    HZ3  LYS   4           HZ3      LYS   4  22.467 -12.080   4.856
  313    H    GLN   5           H        GLN   5  18.786  -5.079   4.286
  314    HA   GLN   5           HA       GLN   5  16.097  -5.598   5.097
  315    HB2  GLN   5           HB3      GLN   5  17.889  -3.230   5.664
  316    HB3  GLN   5           HB2      GLN   5  16.361  -3.564   6.468
  317    HG2  GLN   5           HG3      GLN   5  17.283  -5.659   7.339
  318    HG3  GLN   5           HG2      GLN   5  18.818  -5.301   6.549
  319   HE21  GLN   5          HE21      GLN   5  18.185  -5.693   9.373
  320   HE22  GLN   5          HE22      GLN   5  18.722  -4.264  10.183
  321    H    LEU   6           H        LEU   6  17.676  -3.118   3.110
  322    HA   LEU   6           HA       LEU   6  15.401  -1.534   2.659
  323    HB2  LEU   6           HB3      LEU   6  18.058  -1.832   1.393
  324    HB3  LEU   6           HB2      LEU   6  16.814  -1.090   0.409
  325    HG   LEU   6           HG       LEU   6  18.185   0.582   1.560
  326   HD11  LEU   6          HD11      LEU   6  15.855   1.087   1.024
  327   HD12  LEU   6          HD12      LEU   6  16.385   1.914   2.489
  328   HD13  LEU   6          HD13      LEU   6  15.363   0.483   2.606
  329   HD21  LEU   6          HD21      LEU   6  18.768  -0.703   3.551
  330   HD22  LEU   6          HD22      LEU   6  17.094  -0.624   4.099
  331   HD23  LEU   6          HD23      LEU   6  18.054   0.851   3.982
  332    H    GLU   7           H        GLU   7  16.703  -4.271   0.799
  333    HA   GLU   7           HA       GLU   7  14.792  -4.051  -1.290
  334    HB2  GLU   7           HB3      GLU   7  15.560  -6.217  -2.033
  335    HB3  GLU   7           HB2      GLU   7  16.943  -5.251  -1.547
  336    HG2  GLU   7           HG3      GLU   7  17.030  -6.452   0.582
  337    HG3  GLU   7           HG2      GLU   7  15.647  -7.425   0.083
  338    H    ASP   8           H        ASP   8  14.741  -5.510   1.853
  339    HA   ASP   8           HA       ASP   8  12.412  -7.114   1.334
  340    HB2  ASP   8           HB3      ASP   8  14.117  -6.551   3.697
  341    HB3  ASP   8           HB2      ASP   8  12.451  -7.027   4.012
  342    H    LYS   9           H        LYS   9  13.072  -3.896   2.514
  343    HA   LYS   9           HA       LYS   9  10.544  -3.389   3.664
  344    HB2  LYS   9           HB3      LYS   9  12.586  -1.507   2.476
  345    HB3  LYS   9           HB2      LYS   9  11.138  -0.970   3.318
  346    HG2  LYS   9           HG3      LYS   9  11.897  -2.120   5.341
  347    HG3  LYS   9           HG2      LYS   9  13.357  -2.628   4.491
  348    HD2  LYS   9           HD3      LYS   9  13.969  -0.278   4.154
  349    HD3  LYS   9           HD2      LYS   9  12.517   0.220   5.024
  350    HE2  LYS   9           HE3      LYS   9  14.762  -1.442   6.162
  351    HE3  LYS   9           HE2      LYS   9  14.523   0.281   6.444
  352    HZ1  LYS   9           HZ1      LYS   9  13.671  -1.054   8.269
  353    HZ2  LYS   9           HZ2      LYS   9  12.624  -1.869   7.219
  354    HZ3  LYS   9           HZ3      LYS   9  12.415  -0.217   7.505
  355    H    VAL  10           H        VAL  10  11.826  -2.750   0.408
  356    HA   VAL  10           HA       VAL  10   9.458  -1.542  -0.545
  357    HB   VAL  10           HB       VAL  10  11.608  -1.205  -1.665
  358   HG11  VAL  10          HG11      VAL  10  12.540  -3.442  -1.427
  359   HG12  VAL  10          HG12      VAL  10  12.574  -2.913  -3.109
  360   HG13  VAL  10          HG13      VAL  10  11.353  -4.067  -2.572
  361   HG21  VAL  10          HG21      VAL  10   9.524  -2.472  -3.435
  362   HG22  VAL  10          HG22      VAL  10  10.833  -1.424  -3.981
  363   HG23  VAL  10          HG23      VAL  10   9.578  -0.786  -2.918
  364    H    GLU  11           H        GLU  11  10.548  -4.895  -0.450
  365    HA   GLU  11           HA       GLU  11   8.354  -5.892  -2.013
  366    HB2  GLU  11           HB3      GLU  11  10.321  -7.267  -0.179
  367    HB3  GLU  11           HB2      GLU  11   9.089  -8.120  -1.094
  368    HG2  GLU  11           HG3      GLU  11  11.289  -6.438  -2.273
  369    HG3  GLU  11           HG2      GLU  11  11.266  -8.197  -2.192
  370    H    GLU  12           H        GLU  12   9.014  -5.409   1.395
  371    HA   GLU  12           HA       GLU  12   6.831  -6.731   2.508
  372    HB2  GLU  12           HB3      GLU  12   8.653  -5.825   3.857
  373    HB3  GLU  12           HB2      GLU  12   8.187  -4.187   3.420
  374    HG2  GLU  12           HG3      GLU  12   6.107  -4.419   4.619
  375    HG3  GLU  12           HG2      GLU  12   6.472  -6.104   4.979
  376    H    LEU  13           H        LEU  13   7.043  -3.229   1.730
  377    HA   LEU  13           HA       LEU  13   4.247  -2.902   2.069
  378    HB2  LEU  13           HB3      LEU  13   6.309  -1.089   0.858
  379    HB3  LEU  13           HB2      LEU  13   4.604  -0.686   0.862
  380    HG   LEU  13           HG       LEU  13   4.765  -1.159   3.419
  381   HD11  LEU  13          HD11      LEU  13   7.027  -2.036   3.418
  382   HD12  LEU  13          HD12      LEU  13   6.930  -0.561   4.380
  383   HD13  LEU  13          HD13      LEU  13   7.634  -0.514   2.764
  384   HD21  LEU  13          HD21      LEU  13   5.361   1.206   3.800
  385   HD22  LEU  13          HD22      LEU  13   4.187   0.989   2.502
  386   HD23  LEU  13          HD23      LEU  13   5.879   1.321   2.118
  387    H    LEU  14           H        LEU  14   6.145  -3.824  -0.709
  388    HA   LEU  14           HA       LEU  14   4.208  -3.461  -2.691
  389    HB2  LEU  14           HB3      LEU  14   6.539  -4.075  -3.143
  390    HB3  LEU  14           HB2      LEU  14   6.304  -5.628  -2.386
  391    HG   LEU  14           HG       LEU  14   6.405  -5.610  -4.889
  392   HD11  LEU  14          HD11      LEU  14   5.518  -7.502  -3.667
  393   HD12  LEU  14          HD12      LEU  14   4.647  -7.257  -5.181
  394   HD13  LEU  14          HD13      LEU  14   3.919  -6.757  -3.654
  395   HD21  LEU  14          HD21      LEU  14   5.083  -3.591  -5.278
  396   HD22  LEU  14          HD22      LEU  14   3.652  -4.414  -4.657
  397   HD23  LEU  14          HD23      LEU  14   4.423  -4.981  -6.137
  398    H    SER  15           H        SER  15   4.740  -6.072  -0.384
  399    HA   SER  15           HA       SER  15   2.465  -7.600  -1.173
  400    HB2  SER  15           HB3      SER  15   3.932  -7.620   1.479
  401    HB3  SER  15           HB2      SER  15   2.888  -8.892   0.845
  402    HG   SER  15           HG       SER  15   5.403  -8.038  -0.174
  403    H    LYS  16           H        LYS  16   3.096  -5.039   1.138
  404    HA   LYS  16           HA       LYS  16   0.721  -5.143   2.612
  405    HB2  LYS  16           HB3      LYS  16   2.735  -3.825   3.209
  406    HB3  LYS  16           HB2      LYS  16   2.364  -2.716   1.899
  407    HG2  LYS  16           HG3      LYS  16   0.276  -2.101   3.001
  408    HG3  LYS  16           HG2      LYS  16   0.647  -3.218   4.318
  409    HD2  LYS  16           HD3      LYS  16   2.708  -1.947   4.781
  410    HD3  LYS  16           HD2      LYS  16   2.275  -0.809   3.505
  411    HE2  LYS  16           HE3      LYS  16   1.677   0.074   5.689
  412    HE3  LYS  16           HE2      LYS  16   0.237  -0.224   4.717
  413    HZ1  LYS  16           HZ1      LYS  16  -0.169  -2.234   5.934
  414    HZ2  LYS  16           HZ2      LYS  16   0.012  -0.966   7.033
  415    HZ3  LYS  16           HZ3      LYS  16   1.273  -2.070   6.799
  416    H    ASN  17           H        ASN  17   1.517  -3.063  -0.208
  417    HA   ASN  17           HA       ASN  17  -1.108  -1.990  -0.354
  418    HB2  ASN  17           HB3      ASN  17  -0.435  -0.876  -2.338
  419    HB3  ASN  17           HB2      ASN  17   0.989  -0.918  -1.308
  420   HD21  ASN  17          HD21      ASN  17  -0.485  -2.111  -4.209
  421   HD22  ASN  17          HD22      ASN  17   0.937  -2.816  -4.885
  422    H    TYR  18           H        TYR  18   0.329  -4.891  -1.554
  423    HA   TYR  18           HA       TYR  18  -1.527  -5.488  -3.591
  424    HB2  TYR  18           HB3      TYR  18   0.536  -6.746  -3.418
  425    HB3  TYR  18           HB2      TYR  18   0.100  -7.317  -1.811
  426    HD1  TYR  18           HD1      TYR  18  -0.918  -9.386  -1.584
  427    HD2  TYR  18           HD2      TYR  18  -1.125  -7.389  -5.337
  428    HE1  TYR  18           HE1      TYR  18  -2.014 -11.355  -2.566
  429    HE2  TYR  18           HE2      TYR  18  -2.219  -9.354  -6.330
  430    HH   TYR  18           HH       TYR  18  -2.448 -11.735  -5.937
  431    H    HIS  19           H        HIS  19  -1.434  -6.458  -0.165
  432    HA   HIS  19           HA       HIS  19  -3.958  -7.763  -0.225
  433    HB2  HIS  19           HB3      HIS  19  -2.211  -6.758   2.010
  434    HB3  HIS  19           HB2      HIS  19  -3.799  -7.445   2.331
  435    HD1  HIS  19           HD1      HIS  19  -3.849  -9.889   2.673
  436    HD2  HIS  19           HD2      HIS  19  -0.476  -8.685   0.565
  437    HE1  HIS  19           HE1      HIS  19  -2.458 -11.962   2.377
  438    HE2  HIS  19           HE2      HIS  19  -0.363 -11.183   1.223
  439    H    LEU  20           H        LEU  20  -2.923  -4.493   0.416
  440    HA   LEU  20           HA       LEU  20  -5.364  -3.578   1.518
  441    HB2  LEU  20           HB3      LEU  20  -3.164  -2.534   1.895
  442    HB3  LEU  20           HB2      LEU  20  -3.105  -2.069   0.207
  443    HG   LEU  20           HG       LEU  20  -5.053  -0.630   0.543
  444   HD11  LEU  20          HD11      LEU  20  -5.813  -0.130   2.826
  445   HD12  LEU  20          HD12      LEU  20  -4.776  -1.418   3.438
  446   HD13  LEU  20          HD13      LEU  20  -6.129  -1.805   2.375
  447   HD21  LEU  20          HD21      LEU  20  -3.905   1.090   1.840
  448   HD22  LEU  20          HD22      LEU  20  -2.790   0.266   0.752
  449   HD23  LEU  20          HD23      LEU  20  -2.794  -0.124   2.471
  450    H    GLU  21           H        GLU  21  -4.026  -3.736  -1.744
  451    HA   GLU  21           HA       GLU  21  -6.075  -2.250  -3.020
  452    HB2  GLU  21           HB3      GLU  21  -3.888  -2.814  -4.074
  453    HB3  GLU  21           HB2      GLU  21  -4.403  -4.491  -4.176
  454    HG2  GLU  21           HG3      GLU  21  -6.265  -3.815  -5.624
  455    HG3  GLU  21           HG2      GLU  21  -5.700  -2.148  -5.547
  456    H    ASN  22           H        ASN  22  -5.697  -5.646  -2.200
  457    HA   ASN  22           HA       ASN  22  -8.072  -6.560  -3.432
  458    HB2  ASN  22           HB3      ASN  22  -6.261  -7.650  -1.314
  459    HB3  ASN  22           HB2      ASN  22  -7.810  -8.430  -1.617
  460   HD21  ASN  22          HD21      ASN  22  -4.670  -7.668  -2.935
  461   HD22  ASN  22          HD22      ASN  22  -4.746  -8.783  -4.256
  462    H    GLU  23           H        GLU  23  -7.458  -4.762  -0.612
  463    HA   GLU  23           HA       GLU  23  -9.817  -5.466   0.848
  464    HB2  GLU  23           HB3      GLU  23  -7.806  -4.649   1.989
  465    HB3  GLU  23           HB2      GLU  23  -7.928  -3.109   1.116
  466    HG2  GLU  23           HG3      GLU  23  -8.722  -2.795   3.341
  467    HG3  GLU  23           HG2      GLU  23 -10.097  -2.714   2.244
  468    H    VAL  24           H        VAL  24  -8.859  -2.855  -1.338
  469    HA   VAL  24           HA       VAL  24 -11.244  -1.334  -1.070
  470    HB   VAL  24           HB       VAL  24  -9.530  -1.430  -3.556
  471   HG11  VAL  24          HG11      VAL  24 -11.680  -0.243  -3.716
  472   HG12  VAL  24          HG12      VAL  24 -10.301   0.836  -3.901
  473   HG13  VAL  24          HG13      VAL  24 -11.190   0.802  -2.378
  474   HG21  VAL  24          HG21      VAL  24  -8.156   0.329  -2.646
  475   HG22  VAL  24          HG22      VAL  24  -8.102  -1.061  -1.563
  476   HG23  VAL  24          HG23      VAL  24  -9.094   0.338  -1.155
  477    H    ALA  25           H        ALA  25 -10.230  -3.947  -3.191
  478    HA   ALA  25           HA       ALA  25 -12.279  -3.757  -5.086
  479    HB1  ALA  25           HB1      ALA  25 -10.185  -5.063  -5.352
  480    HB2  ALA  25           HB2      ALA  25 -11.645  -5.933  -5.821
  481    HB3  ALA  25           HB3      ALA  25 -10.870  -6.285  -4.278
  482    H    ARG  26           H        ARG  26 -12.152  -5.631  -2.049
  483    HA   ARG  26           HA       ARG  26 -14.609  -6.922  -2.533
  484    HB2  ARG  26           HB3      ARG  26 -14.590  -7.110   0.082
  485    HB3  ARG  26           HB2      ARG  26 -13.527  -8.078  -0.914
  486    HG2  ARG  26           HG3      ARG  26 -11.662  -6.673  -0.388
  487    HG3  ARG  26           HG2      ARG  26 -12.705  -5.512   0.453
  488    HD2  ARG  26           HD2      ARG  26 -12.994  -6.880   2.262
  489    HD3  ARG  26           HD1      ARG  26 -12.807  -8.353   1.319
  490    HE   ARG  26           HE       ARG  26 -10.316  -7.229   1.322
  491   HH11  ARG  26          HH11      ARG  26 -12.609  -8.175   3.786
  492   HH12  ARG  26          HH12      ARG  26 -11.392  -8.621   4.939
  493   HH21  ARG  26          HH21      ARG  26  -8.696  -7.823   2.851
  494   HH22  ARG  26          HH22      ARG  26  -9.172  -8.427   4.406
  495    H    LEU  27           H        LEU  27 -13.831  -3.903  -0.812
  496    HA   LEU  27           HA       LEU  27 -16.489  -3.400   0.007
  497    HB2  LEU  27           HB3      LEU  27 -14.135  -1.600  -0.442
  498    HB3  LEU  27           HB2      LEU  27 -15.718  -0.932  -0.138
  499    HG   LEU  27           HG       LEU  27 -15.834  -2.087   2.007
  500   HD11  LEU  27          HD11      LEU  27 -13.019  -2.971   1.416
  501   HD12  LEU  27          HD12      LEU  27 -14.436  -4.015   1.516
  502   HD13  LEU  27          HD13      LEU  27 -13.862  -3.168   2.952
  503   HD21  LEU  27          HD21      LEU  27 -15.013   0.161   1.975
  504   HD22  LEU  27          HD22      LEU  27 -13.382  -0.403   1.609
  505   HD23  LEU  27          HD23      LEU  27 -14.114  -0.775   3.170
  506    H    LYS  28           H        LYS  28 -14.769  -2.716  -2.984
  507    HA   LYS  28           HA       LYS  28 -16.631  -1.102  -4.258
  508    HB2  LYS  28           HB3      LYS  28 -14.346  -1.712  -5.100
  509    HB3  LYS  28           HB2      LYS  28 -14.989  -3.278  -5.569
  510    HG2  LYS  28           HG3      LYS  28 -14.875  -1.822  -7.486
  511    HG3  LYS  28           HG2      LYS  28 -16.562  -2.157  -7.091
  512    HD2  LYS  28           HD3      LYS  28 -16.749  -0.001  -5.979
  513    HD3  LYS  28           HD2      LYS  28 -15.045   0.326  -6.292
  514    HE2  LYS  28           HE3      LYS  28 -17.154  -0.093  -8.405
  515    HE3  LYS  28           HE2      LYS  28 -16.553   1.475  -7.873
  516    HZ1  LYS  28           HZ1      LYS  28 -15.442   0.807  -9.877
  517    HZ2  LYS  28           HZ2      LYS  28 -14.965  -0.659  -9.190
  518    HZ3  LYS  28           HZ3      LYS  28 -14.329   0.793  -8.606
  519    H    LYS  29           H        LYS  29 -16.595  -4.611  -3.864
  520    HA   LYS  29           HA       LYS  29 -18.860  -5.083  -5.522
  521    HB2  LYS  29           HB3      LYS  29 -17.531  -6.769  -3.402
  522    HB3  LYS  29           HB2      LYS  29 -18.829  -7.324  -4.444
  523    HG2  LYS  29           HG3      LYS  29 -16.141  -6.366  -5.396
  524    HG3  LYS  29           HG2      LYS  29 -16.622  -8.055  -5.217
  525    HD2  LYS  29           HD3      LYS  29 -18.432  -7.690  -6.839
  526    HD3  LYS  29           HD2      LYS  29 -17.896  -6.023  -7.047
  527    HE2  LYS  29           HE3      LYS  29 -15.743  -6.809  -7.873
  528    HE3  LYS  29           HE2      LYS  29 -16.248  -8.479  -7.626
  529    HZ1  LYS  29           HZ1      LYS  29 -16.503  -7.850  -9.925
  530    HZ2  LYS  29           HZ2      LYS  29 -17.485  -6.543  -9.502
  531    HZ3  LYS  29           HZ3      LYS  29 -18.024  -8.122  -9.243
  532    H    LEU  30           H        LEU  30 -18.356  -4.487  -2.096
  533    HA   LEU  30           HA       LEU  30 -21.007  -5.094  -1.282
  534    HB2  LEU  30           HB3      LEU  30 -18.688  -3.676  -0.080
  535    HB3  LEU  30           HB2      LEU  30 -20.267  -3.367   0.612
  536    HG   LEU  30           HG       LEU  30 -20.540  -5.775   1.056
  537   HD11  LEU  30          HD11      LEU  30 -17.711  -6.009   0.054
  538   HD12  LEU  30          HD12      LEU  30 -19.149  -6.651  -0.739
  539   HD13  LEU  30          HD13      LEU  30 -18.648  -7.287   0.826
  540   HD21  LEU  30          HD21      LEU  30 -18.012  -4.558   2.154
  541   HD22  LEU  30          HD22      LEU  30 -18.864  -5.937   2.846
  542   HD23  LEU  30          HD23      LEU  30 -19.642  -4.357   2.795
  543    H    VAL  31           H        VAL  31 -19.448  -2.226  -2.553
  544    HA   VAL  31           HA       VAL  31 -21.761  -0.554  -2.142
  545    HB   VAL  31           HB       VAL  31 -19.358  -0.037  -3.921
  546   HG11  VAL  31          HG11      VAL  31 -21.305   1.343  -4.463
  547   HG12  VAL  31          HG12      VAL  31 -20.001   2.301  -3.763
  548   HG13  VAL  31          HG13      VAL  31 -21.400   1.867  -2.781
  549   HG21  VAL  31          HG21      VAL  31 -18.682  -0.384  -1.604
  550   HG22  VAL  31          HG22      VAL  31 -19.855   0.823  -1.076
  551   HG23  VAL  31          HG23      VAL  31 -18.487   1.303  -2.083
  552    H    GLY  32           H        GLY  32 -20.540  -2.675  -4.608
  553    HA2  GLY  32           HA3      GLY  32 -22.210  -1.623  -6.711
  554    HA3  GLY  32           HA2      GLY  32 -21.224  -3.076  -6.784
  555    H    GLU  33           H        GLU  33 -22.120  -4.679  -4.898
  556    HA   GLU  33           HA       GLU  33 -23.700  -6.216  -4.400
  557    HB2  GLU  33           HB3      GLU  33 -24.701  -4.226  -3.270
  558    HB3  GLU  33           HB2      GLU  33 -25.652  -3.927  -4.716
  559    HG2  GLU  33           HG3      GLU  33 -26.986  -5.035  -3.040
  560    HG3  GLU  33           HG2      GLU  33 -26.757  -6.093  -4.431
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  24.780   1.771  -2.663
    2    H2   GLY   1           H2       GLY   1  24.200   2.970  -1.623
    3    H3   GLY   1           H3       GLY   1  25.860   2.826  -1.902
    4    HA2  GLY   1           HA2      GLY   1  24.982   4.690  -3.131
    5    HA3  GLY   1           HA3      GLY   1  25.558   3.434  -4.215
    6    H    SER   2           H        SER   2  23.815   5.315  -5.127
    7    HA   SER   2           HA       SER   2  21.871   5.557  -6.317
    8    HB2  SER   2           HB3      SER   2  22.534   3.276  -7.158
    9    HB3  SER   2           HB2      SER   2  21.512   2.573  -5.905
   10    HG   SER   2           HG       SER   2  20.580   4.398  -7.876
   11    H    MET   3           H        MET   3  21.874   6.039  -3.551
   12    HA   MET   3           HA       MET   3  19.622   4.831  -2.289
   13    HB2  MET   3           HB3      MET   3  21.618   6.875  -1.587
   14    HB3  MET   3           HB2      MET   3  20.050   7.065  -0.811
   15    HG2  MET   3           HG3      MET   3  21.541   5.788   0.593
   16    HG3  MET   3           HG2      MET   3  20.196   4.788   0.051
   17    HE1  MET   3           HE1      MET   3  22.708   3.486   1.368
   18    HE2  MET   3           HE2      MET   3  23.029   2.147   0.268
   19    HE3  MET   3           HE3      MET   3  21.368   2.552   0.703
   20    H    LYS   4           H        LYS   4  20.050   7.575  -4.350
   21    HA   LYS   4           HA       LYS   4  17.641   8.926  -3.704
   22    HB2  LYS   4           HB3      LYS   4  19.301   8.873  -6.226
   23    HB3  LYS   4           HB2      LYS   4  17.867   9.870  -6.051
   24    HG2  LYS   4           HG3      LYS   4  20.277  10.047  -4.255
   25    HG3  LYS   4           HG2      LYS   4  19.998  11.074  -5.660
   26    HD2  LYS   4           HD3      LYS   4  17.890  11.851  -4.636
   27    HD3  LYS   4           HD2      LYS   4  18.244  10.870  -3.213
   28    HE2  LYS   4           HE3      LYS   4  19.948  13.126  -4.266
   29    HE3  LYS   4           HE2      LYS   4  18.865  13.220  -2.878
   30    HZ1  LYS   4           HZ1      LYS   4  21.137  12.869  -2.181
   31    HZ2  LYS   4           HZ2      LYS   4  21.246  11.463  -3.111
   32    HZ3  LYS   4           HZ3      LYS   4  20.198  11.521  -1.786
   33    H    GLN   5           H        GLN   5  18.463   6.435  -6.069
   34    HA   GLN   5           HA       GLN   5  15.802   6.197  -7.084
   35    HB2  GLN   5           HB3      GLN   5  18.164   4.317  -7.263
   36    HB3  GLN   5           HB2      GLN   5  16.647   4.081  -8.110
   37    HG2  GLN   5           HG3      GLN   5  18.100   4.976  -9.698
   38    HG3  GLN   5           HG2      GLN   5  17.079   6.324  -9.211
   39   HE21  GLN   5          HE21      GLN   5  17.991   8.075  -8.216
   40   HE22  GLN   5          HE22      GLN   5  19.698   8.275  -8.017
   41    H    LEU   6           H        LEU   6  17.699   4.682  -4.582
   42    HA   LEU   6           HA       LEU   6  16.020   2.473  -4.078
   43    HB2  LEU   6           HB3      LEU   6  18.375   2.633  -3.357
   44    HB3  LEU   6           HB2      LEU   6  17.932   3.876  -2.209
   45    HG   LEU   6           HG       LEU   6  16.475   2.212  -1.052
   46   HD11  LEU   6          HD11      LEU   6  16.782  -0.151  -1.538
   47   HD12  LEU   6          HD12      LEU   6  17.845   0.249  -2.887
   48   HD13  LEU   6          HD13      LEU   6  16.139   0.693  -2.947
   49   HD21  LEU   6          HD21      LEU   6  19.399   1.520  -1.312
   50   HD22  LEU   6          HD22      LEU   6  18.340   1.022   0.006
   51   HD23  LEU   6          HD23      LEU   6  18.704   2.731  -0.234
   52    H    GLU   7           H        GLU   7  16.145   5.742  -2.664
   53    HA   GLU   7           HA       GLU   7  14.152   5.196  -0.709
   54    HB2  GLU   7           HB3      GLU   7  14.085   7.585  -0.318
   55    HB3  GLU   7           HB2      GLU   7  15.755   7.066  -0.490
   56    HG2  GLU   7           HG3      GLU   7  15.792   7.908  -2.773
   57    HG3  GLU   7           HG2      GLU   7  14.107   8.403  -2.626
   58    H    ASP   8           H        ASP   8  14.080   6.175  -4.048
   59    HA   ASP   8           HA       ASP   8  11.369   7.017  -4.114
   60    HB2  ASP   8           HB3      ASP   8  13.415   6.316  -6.150
   61    HB3  ASP   8           HB2      ASP   8  11.730   6.242  -6.653
   62    H    LYS   9           H        LYS   9  12.896   3.914  -4.114
   63    HA   LYS   9           HA       LYS   9  10.713   2.404  -5.138
   64    HB2  LYS   9           HB3      LYS   9  12.906   1.576  -3.223
   65    HB3  LYS   9           HB2      LYS   9  11.805   0.475  -4.034
   66    HG2  LYS   9           HG3      LYS   9  13.794   2.267  -5.409
   67    HG3  LYS   9           HG2      LYS   9  14.021   0.550  -5.078
   68    HD2  LYS   9           HD3      LYS   9  13.152   0.233  -7.119
   69    HD3  LYS   9           HD2      LYS   9  11.600   0.585  -6.357
   70    HE2  LYS   9           HE3      LYS   9  11.886   1.910  -8.375
   71    HE3  LYS   9           HE2      LYS   9  11.851   2.948  -6.951
   72    HZ1  LYS   9           HZ1      LYS   9  14.324   2.040  -8.316
   73    HZ2  LYS   9           HZ2      LYS   9  14.231   3.136  -7.031
   74    HZ3  LYS   9           HZ3      LYS   9  13.602   3.551  -8.545
   75    H    VAL  10           H        VAL  10  11.888   2.909  -1.834
   76    HA   VAL  10           HA       VAL  10   9.737   1.604  -0.563
   77    HB   VAL  10           HB       VAL  10  11.631   3.665   0.579
   78   HG11  VAL  10          HG11      VAL  10   9.954   1.575   1.962
   79   HG12  VAL  10          HG12      VAL  10   9.678   3.317   1.996
   80   HG13  VAL  10          HG13      VAL  10  11.126   2.638   2.741
   81   HG21  VAL  10          HG21      VAL  10  12.829   1.802  -0.421
   82   HG22  VAL  10          HG22      VAL  10  11.841   0.658   0.486
   83   HG23  VAL  10          HG23      VAL  10  12.945   1.738   1.338
   84    H    GLU  11           H        GLU  11  10.431   5.053  -1.085
   85    HA   GLU  11           HA       GLU  11   8.226   6.038   0.361
   86    HB2  GLU  11           HB3      GLU  11  10.257   7.340  -0.395
   87    HB3  GLU  11           HB2      GLU  11   9.541   7.387  -1.999
   88    HG2  GLU  11           HG3      GLU  11   9.089   9.450  -0.871
   89    HG3  GLU  11           HG2      GLU  11   7.583   8.553  -1.055
   90    H    GLU  12           H        GLU  12   8.578   5.009  -2.991
   91    HA   GLU  12           HA       GLU  12   6.130   6.014  -3.942
   92    HB2  GLU  12           HB3      GLU  12   7.937   5.132  -5.399
   93    HB3  GLU  12           HB2      GLU  12   7.525   3.504  -4.873
   94    HG2  GLU  12           HG3      GLU  12   5.320   3.709  -5.842
   95    HG3  GLU  12           HG2      GLU  12   5.651   5.380  -6.296
   96    H    LEU  13           H        LEU  13   6.866   2.678  -2.851
   97    HA   LEU  13           HA       LEU  13   4.186   1.833  -2.913
   98    HB2  LEU  13           HB3      LEU  13   6.499   0.757  -1.310
   99    HB3  LEU  13           HB2      LEU  13   4.963  -0.065  -1.549
  100    HG   LEU  13           HG       LEU  13   6.213   0.815  -4.028
  101   HD11  LEU  13          HD11      LEU  13   7.910  -0.982  -4.033
  102   HD12  LEU  13          HD12      LEU  13   7.558  -1.301  -2.333
  103   HD13  LEU  13          HD13      LEU  13   8.251   0.247  -2.816
  104   HD21  LEU  13          HD21      LEU  13   5.548  -1.377  -4.768
  105   HD22  LEU  13          HD22      LEU  13   4.230  -0.656  -3.842
  106   HD23  LEU  13          HD23      LEU  13   5.256  -1.885  -3.109
  107    H    LEU  14           H        LEU  14   6.097   3.280  -0.324
  108    HA   LEU  14           HA       LEU  14   4.253   3.120   1.744
  109    HB2  LEU  14           HB3      LEU  14   6.554   3.938   1.977
  110    HB3  LEU  14           HB2      LEU  14   6.171   5.352   1.030
  111    HG   LEU  14           HG       LEU  14   6.380   5.683   3.509
  112   HD11  LEU  14          HD11      LEU  14   3.778   6.490   2.244
  113   HD12  LEU  14          HD12      LEU  14   5.321   7.335   2.102
  114   HD13  LEU  14          HD13      LEU  14   4.512   7.232   3.667
  115   HD21  LEU  14          HD21      LEU  14   3.700   4.315   3.580
  116   HD22  LEU  14          HD22      LEU  14   4.518   5.094   4.933
  117   HD23  LEU  14          HD23      LEU  14   5.206   3.643   4.205
  118    H    SER  15           H        SER  15   4.488   5.384  -0.940
  119    HA   SER  15           HA       SER  15   2.166   6.872  -0.248
  120    HB2  SER  15           HB3      SER  15   3.438   6.554  -2.975
  121    HB3  SER  15           HB2      SER  15   2.345   7.840  -2.467
  122    HG   SER  15           HG       SER  15   4.952   7.319  -1.448
  123    H    LYS  16           H        LYS  16   2.785   4.028  -2.319
  124    HA   LYS  16           HA       LYS  16   0.260   3.925  -3.528
  125    HB2  LYS  16           HB3      LYS  16   2.189   1.708  -2.853
  126    HB3  LYS  16           HB2      LYS  16   0.744   1.478  -3.828
  127    HG2  LYS  16           HG3      LYS  16   1.580   3.065  -5.475
  128    HG3  LYS  16           HG2      LYS  16   3.017   3.343  -4.493
  129    HD2  LYS  16           HD3      LYS  16   3.511   1.803  -6.307
  130    HD3  LYS  16           HD2      LYS  16   3.636   0.981  -4.753
  131    HE2  LYS  16           HE3      LYS  16   2.505  -0.436  -6.360
  132    HE3  LYS  16           HE2      LYS  16   1.391   0.041  -5.084
  133    HZ1  LYS  16           HZ1      LYS  16   1.549   1.235  -7.798
  134    HZ2  LYS  16           HZ2      LYS  16   0.506   1.745  -6.571
  135    HZ3  LYS  16           HZ3      LYS  16   0.339   0.199  -7.229
  136    H    ASN  17           H        ASN  17   1.357   2.243  -0.547
  137    HA   ASN  17           HA       ASN  17  -1.208   1.100  -0.088
  138    HB2  ASN  17           HB3      ASN  17  -0.397   0.359   2.031
  139    HB3  ASN  17           HB2      ASN  17   0.935   0.214   0.895
  140   HD21  ASN  17          HD21      ASN  17  -0.320   1.950   3.646
  141   HD22  ASN  17          HD22      ASN  17   1.166   2.722   4.075
  142    H    TYR  18           H        TYR  18   0.241   4.147   0.729
  143    HA   TYR  18           HA       TYR  18  -1.600   4.960   2.715
  144    HB2  TYR  18           HB3      TYR  18   0.573   6.078   2.323
  145    HB3  TYR  18           HB2      TYR  18  -0.009   6.651   0.767
  146    HD1  TYR  18           HD1      TYR  18  -0.451   6.958   4.423
  147    HD2  TYR  18           HD2      TYR  18  -1.357   8.602   0.608
  148    HE1  TYR  18           HE1      TYR  18  -1.301   8.992   5.508
  149    HE2  TYR  18           HE2      TYR  18  -2.213  10.639   1.683
  150    HH   TYR  18           HH       TYR  18  -3.165  11.278   3.917
  151    H    HIS  19           H        HIS  19  -1.490   5.397  -0.793
  152    HA   HIS  19           HA       HIS  19  -3.872   6.908  -0.995
  153    HB2  HIS  19           HB3      HIS  19  -2.202   5.355  -2.937
  154    HB3  HIS  19           HB2      HIS  19  -3.787   5.937  -3.431
  155    HD1  HIS  19           HD1      HIS  19  -3.917   8.296  -4.212
  156    HD2  HIS  19           HD2      HIS  19  -0.414   7.522  -2.116
  157    HE1  HIS  19           HE1      HIS  19  -2.525  10.376  -4.429
  158    HE2  HIS  19           HE2      HIS  19  -0.360   9.835  -3.262
  159    H    LEU  20           H        LEU  20  -3.212   3.440  -1.372
  160    HA   LEU  20           HA       LEU  20  -5.887   2.760  -1.987
  161    HB2  LEU  20           HB3      LEU  20  -3.462   1.228  -1.187
  162    HB3  LEU  20           HB2      LEU  20  -5.019   0.433  -1.079
  163    HG   LEU  20           HG       LEU  20  -3.884  -0.081  -3.188
  164   HD11  LEU  20          HD11      LEU  20  -6.321   1.646  -3.581
  165   HD12  LEU  20          HD12      LEU  20  -6.328  -0.050  -3.105
  166   HD13  LEU  20          HD13      LEU  20  -5.719   0.417  -4.693
  167   HD21  LEU  20          HD21      LEU  20  -4.109   2.872  -3.729
  168   HD22  LEU  20          HD22      LEU  20  -3.624   1.646  -4.899
  169   HD23  LEU  20          HD23      LEU  20  -2.616   1.964  -3.486
  170    H    GLU  21           H        GLU  21  -4.125   3.007   1.064
  171    HA   GLU  21           HA       GLU  21  -6.062   1.865   2.740
  172    HB2  GLU  21           HB3      GLU  21  -3.688   2.634   3.327
  173    HB3  GLU  21           HB2      GLU  21  -4.366   4.247   3.487
  174    HG2  GLU  21           HG3      GLU  21  -5.365   1.881   5.042
  175    HG3  GLU  21           HG2      GLU  21  -4.081   2.937   5.616
  176    H    ASN  22           H        ASN  22  -5.612   5.217   1.697
  177    HA   ASN  22           HA       ASN  22  -7.890   6.246   3.010
  178    HB2  ASN  22           HB3      ASN  22  -6.141   7.236   0.790
  179    HB3  ASN  22           HB2      ASN  22  -7.633   8.088   1.171
  180   HD21  ASN  22          HD21      ASN  22  -4.463   7.204   2.301
  181   HD22  ASN  22          HD22      ASN  22  -4.417   8.310   3.634
  182    H    GLU  23           H        GLU  23  -7.494   4.493   0.072
  183    HA   GLU  23           HA       GLU  23 -10.027   5.313  -1.034
  184    HB2  GLU  23           HB3      GLU  23  -8.024   4.699  -2.427
  185    HB3  GLU  23           HB2      GLU  23  -8.265   3.015  -1.914
  186    HG2  GLU  23           HG3      GLU  23 -10.365   2.904  -3.020
  187    HG3  GLU  23           HG2      GLU  23 -10.365   4.640  -3.333
  188    H    VAL  24           H        VAL  24  -8.734   2.587   0.787
  189    HA   VAL  24           HA       VAL  24 -11.037   0.963   0.708
  190    HB   VAL  24           HB       VAL  24  -8.956   1.208   2.905
  191   HG11  VAL  24          HG11      VAL  24 -11.086   0.273   3.733
  192   HG12  VAL  24          HG12      VAL  24  -9.779  -0.911   3.743
  193   HG13  VAL  24          HG13      VAL  24 -11.010  -0.967   2.477
  194   HG21  VAL  24          HG21      VAL  24  -8.012   0.446   0.814
  195   HG22  VAL  24          HG22      VAL  24  -9.276  -0.773   0.659
  196   HG23  VAL  24          HG23      VAL  24  -8.093  -0.892   1.961
  197    H    ALA  25           H        ALA  25 -10.021   3.567   2.857
  198    HA   ALA  25           HA       ALA  25 -12.059   3.337   4.758
  199    HB1  ALA  25           HB1      ALA  25 -10.007   4.679   5.050
  200    HB2  ALA  25           HB2      ALA  25 -11.477   5.564   5.456
  201    HB3  ALA  25           HB3      ALA  25 -10.661   5.869   3.924
  202    H    ARG  26           H        ARG  26 -11.953   5.157   1.718
  203    HA   ARG  26           HA       ARG  26 -14.310   6.620   2.154
  204    HB2  ARG  26           HB3      ARG  26 -14.148   7.333  -0.054
  205    HB3  ARG  26           HB2      ARG  26 -12.498   6.945   0.369
  206    HG2  ARG  26           HG3      ARG  26 -12.632   4.852  -0.851
  207    HG3  ARG  26           HG2      ARG  26 -14.324   5.188  -1.241
  208    HD2  ARG  26           HD2      ARG  26 -12.663   5.736  -3.050
  209    HD3  ARG  26           HD1      ARG  26 -13.752   7.041  -2.586
  210    HE   ARG  26           HE       ARG  26 -10.920   6.845  -1.775
  211   HH11  ARG  26          HH11      ARG  26 -13.784   8.730  -2.478
  212   HH12  ARG  26          HH12      ARG  26 -12.979  10.255  -2.305
  213   HH21  ARG  26          HH21      ARG  26  -9.858   8.865  -1.545
  214   HH22  ARG  26          HH22      ARG  26 -10.755  10.333  -1.773
  215    H    LEU  27           H        LEU  27 -13.731   3.529   0.587
  216    HA   LEU  27           HA       LEU  27 -16.459   3.057  -0.085
  217    HB2  LEU  27           HB3      LEU  27 -14.196   1.102   0.263
  218    HB3  LEU  27           HB2      LEU  27 -15.756   0.746  -0.441
  219    HG   LEU  27           HG       LEU  27 -14.061   2.886  -1.619
  220   HD11  LEU  27          HD11      LEU  27 -12.676   0.879  -1.400
  221   HD12  LEU  27          HD12      LEU  27 -13.037   1.278  -3.080
  222   HD13  LEU  27          HD13      LEU  27 -13.901  -0.034  -2.279
  223   HD21  LEU  27          HD21      LEU  27 -16.365   2.724  -2.365
  224   HD22  LEU  27          HD22      LEU  27 -16.146   1.006  -2.707
  225   HD23  LEU  27          HD23      LEU  27 -15.273   2.213  -3.653
  226    H    LYS  28           H        LYS  28 -14.443   2.112   2.660
  227    HA   LYS  28           HA       LYS  28 -16.122   0.432   4.023
  228    HB2  LYS  28           HB3      LYS  28 -13.856   1.020   4.769
  229    HB3  LYS  28           HB2      LYS  28 -14.415   2.627   5.212
  230    HG2  LYS  28           HG3      LYS  28 -14.217   1.256   7.178
  231    HG3  LYS  28           HG2      LYS  28 -15.916   1.623   6.880
  232    HD2  LYS  28           HD3      LYS  28 -16.177  -0.585   5.812
  233    HD3  LYS  28           HD2      LYS  28 -14.494  -0.948   6.193
  234    HE2  LYS  28           HE3      LYS  28 -14.986  -0.712   8.577
  235    HE3  LYS  28           HE2      LYS  28 -16.667  -0.344   8.195
  236    HZ1  LYS  28           HZ1      LYS  28 -15.263  -2.897   7.637
  237    HZ2  LYS  28           HZ2      LYS  28 -16.852  -2.549   7.180
  238    HZ3  LYS  28           HZ3      LYS  28 -16.445  -2.642   8.816
  239    H    LYS  29           H        LYS  29 -16.221   3.989   4.038
  240    HA   LYS  29           HA       LYS  29 -18.464   4.066   5.827
  241    HB2  LYS  29           HB3      LYS  29 -16.809   6.060   4.412
  242    HB3  LYS  29           HB2      LYS  29 -18.475   6.531   4.714
  243    HG2  LYS  29           HG3      LYS  29 -17.066   7.328   6.493
  244    HG3  LYS  29           HG2      LYS  29 -18.152   6.087   7.111
  245    HD2  LYS  29           HD3      LYS  29 -16.069   5.604   8.075
  246    HD3  LYS  29           HD2      LYS  29 -16.225   4.456   6.745
  247    HE2  LYS  29           HE3      LYS  29 -13.985   5.402   6.806
  248    HE3  LYS  29           HE2      LYS  29 -14.830   5.895   5.340
  249    HZ1  LYS  29           HZ1      LYS  29 -14.554   7.564   7.781
  250    HZ2  LYS  29           HZ2      LYS  29 -15.262   8.035   6.321
  251    HZ3  LYS  29           HZ3      LYS  29 -13.604   7.722   6.390
  252    H    LEU  30           H        LEU  30 -18.045   3.933   2.377
  253    HA   LEU  30           HA       LEU  30 -20.676   4.794   1.695
  254    HB2  LEU  30           HB3      LEU  30 -18.376   3.610   0.282
  255    HB3  LEU  30           HB2      LEU  30 -19.943   3.265  -0.420
  256    HG   LEU  30           HG       LEU  30 -20.394   5.614  -0.734
  257   HD11  LEU  30          HD11      LEU  30 -18.743   7.337  -0.169
  258   HD12  LEU  30          HD12      LEU  30 -17.758   6.116   0.639
  259   HD13  LEU  30          HD13      LEU  30 -19.356   6.517   1.267
  260   HD21  LEU  30          HD21      LEU  30 -17.606   4.900  -1.630
  261   HD22  LEU  30          HD22      LEU  30 -18.601   6.192  -2.302
  262   HD23  LEU  30          HD23      LEU  30 -19.107   4.512  -2.470
  263    H    VAL  31           H        VAL  31 -19.214   1.658   2.373
  264    HA   VAL  31           HA       VAL  31 -21.605   0.191   1.728
  265    HB   VAL  31           HB       VAL  31 -19.258  -0.763   3.389
  266   HG11  VAL  31          HG11      VAL  31 -21.293  -2.137   3.549
  267   HG12  VAL  31          HG12      VAL  31 -19.972  -2.987   2.748
  268   HG13  VAL  31          HG13      VAL  31 -21.293  -2.315   1.793
  269   HG21  VAL  31          HG21      VAL  31 -19.677  -0.970   0.411
  270   HG22  VAL  31          HG22      VAL  31 -18.376  -1.732   1.326
  271   HG23  VAL  31          HG23      VAL  31 -18.470   0.026   1.222
  272    H    GLY  32           H        GLY  32 -20.306   1.815   4.494
  273    HA2  GLY  32           HA3      GLY  32 -22.037   0.469   6.385
  274    HA3  GLY  32           HA2      GLY  32 -20.935   1.795   6.733
  275    H    GLU  33           H        GLU  33 -21.695   3.808   5.195
  276    HA   GLU  33           HA       GLU  33 -23.131   5.549   5.068
  277    HB2  GLU  33           HB3      GLU  33 -24.491   3.972   3.723
  278    HB3  GLU  33           HB2      GLU  33 -25.306   3.449   5.189
  279    HG2  GLU  33           HG3      GLU  33 -26.690   5.009   3.985
  280    HG3  GLU  33           HG2      GLU  33 -26.166   5.722   5.509
  281    H1   GLY   1           H1       GLY   1  24.790  -1.931   2.012
  282    H2   GLY   1           H2       GLY   1  24.201  -3.110   0.955
  283    H3   GLY   1           H3       GLY   1  25.865  -2.976   1.230
  284    HA2  GLY   1           HA2      GLY   1  24.985  -4.857   2.431
  285    HA3  GLY   1           HA3      GLY   1  25.570  -3.619   3.533
  286    H    SER   2           H        SER   2  23.828  -5.511   4.425
  287    HA   SER   2           HA       SER   2  21.891  -5.766   5.624
  288    HB2  SER   2           HB3      SER   2  22.554  -3.493   6.487
  289    HB3  SER   2           HB2      SER   2  21.521  -2.779   5.255
  290    HG   SER   2           HG       SER   2  20.599  -4.644   7.190
  291    H    MET   3           H        MET   3  21.880  -6.216   2.850
  292    HA   MET   3           HA       MET   3  19.620  -4.992   1.614
  293    HB2  MET   3           HB3      MET   3  21.613  -7.028   0.874
  294    HB3  MET   3           HB2      MET   3  20.043  -7.206   0.104
  295    HG2  MET   3           HG3      MET   3  21.527  -5.910  -1.288
  296    HG3  MET   3           HG2      MET   3  20.187  -4.915  -0.729
  297    HE1  MET   3           HE1      MET   3  22.704  -3.600  -2.036
  298    HE2  MET   3           HE2      MET   3  23.021  -2.275  -0.918
  299    HE3  MET   3           HE3      MET   3  21.362  -2.678  -1.358
  300    H    LYS   4           H        LYS   4  20.056  -7.756   3.644
  301    HA   LYS   4           HA       LYS   4  17.647  -9.105   2.985
  302    HB2  LYS   4           HB3      LYS   4  19.310  -9.081   5.505
  303    HB3  LYS   4           HB2      LYS   4  17.877 -10.077   5.318
  304    HG2  LYS   4           HG3      LYS   4  20.287 -10.229   3.525
  305    HG3  LYS   4           HG2      LYS   4  20.006 -11.276   4.914
  306    HD2  LYS   4           HD3      LYS   4  17.907 -12.044   3.876
  307    HD3  LYS   4           HD2      LYS   4  18.252 -11.035   2.470
  308    HE2  LYS   4           HE3      LYS   4  19.965 -13.301   3.481
  309    HE3  LYS   4           HE2      LYS   4  18.884 -13.373   2.091
  310    HZ1  LYS   4           HZ1      LYS   4  21.156 -13.004   1.395
  311    HZ2  LYS   4           HZ2      LYS   4  21.268 -11.619   2.357
  312    HZ3  LYS   4           HZ3      LYS   4  20.219 -11.645   1.032
  313    H    GLN   5           H        GLN   5  18.478  -6.638   5.373
  314    HA   GLN   5           HA       GLN   5  15.820  -6.420   6.402
  315    HB2  GLN   5           HB3      GLN   5  18.179  -4.541   6.596
  316    HB3  GLN   5           HB2      GLN   5  16.666  -4.314   7.451
  317    HG2  GLN   5           HG3      GLN   5  18.130  -5.222   9.023
  318    HG3  GLN   5           HG2      GLN   5  17.105  -6.568   8.529
  319   HE21  GLN   5          HE21      GLN   5  18.011  -8.307   7.506
  320   HE22  GLN   5          HE22      GLN   5  19.717  -8.497   7.288
  321    H    LEU   6           H        LEU   6  17.711  -4.862   3.919
  322    HA   LEU   6           HA       LEU   6  16.025  -2.654   3.442
  323    HB2  LEU   6           HB3      LEU   6  18.378  -2.806   2.713
  324    HB3  LEU   6           HB2      LEU   6  17.931  -4.035   1.552
  325    HG   LEU   6           HG       LEU   6  16.472  -2.358   0.417
  326   HD11  LEU   6          HD11      LEU   6  16.781  -0.002   0.927
  327   HD12  LEU   6          HD12      LEU   6  17.849  -0.415   2.267
  328   HD13  LEU   6          HD13      LEU   6  16.143  -0.859   2.329
  329   HD21  LEU   6          HD21      LEU   6  19.396  -1.669   0.676
  330   HD22  LEU   6          HD22      LEU   6  18.332  -1.158  -0.634
  331   HD23  LEU   6          HD23      LEU   6  18.699  -2.868  -0.413
  332    H    GLU   7           H        GLU   7  16.152  -5.906   1.985
  333    HA   GLU   7           HA       GLU   7  14.152  -5.337   0.045
  334    HB2  GLU   7           HB3      GLU   7  14.082  -7.721  -0.371
  335    HB3  GLU   7           HB2      GLU   7  15.751  -7.205  -0.198
  336    HG2  GLU   7           HG3      GLU   7  15.799  -8.072   2.071
  337    HG3  GLU   7           HG2      GLU   7  14.111  -8.560   1.929
  338    H    ASP   8           H        ASP   8  14.085  -6.349   3.371
  339    HA   ASP   8           HA       ASP   8  11.377  -7.203   3.433
  340    HB2  ASP   8           HB3      ASP   8  13.431  -6.529   5.471
  341    HB3  ASP   8           HB2      ASP   8  11.748  -6.463   5.983
  342    H    LYS   9           H        LYS   9  12.902  -4.098   3.473
  343    HA   LYS   9           HA       LYS   9  10.720  -2.602   4.519
  344    HB2  LYS   9           HB3      LYS   9  12.909  -1.749   2.610
  345    HB3  LYS   9           HB2      LYS   9  11.810  -0.658   3.436
  346    HG2  LYS   9           HG3      LYS   9  13.805  -2.464   4.784
  347    HG3  LYS   9           HG2      LYS   9  14.029  -0.742   4.470
  348    HD2  LYS   9           HD3      LYS   9  13.173  -0.448   6.521
  349    HD3  LYS   9           HD2      LYS   9  11.616  -0.789   5.763
  350    HE2  LYS   9           HE3      LYS   9  11.910  -2.143   7.760
  351    HE3  LYS   9           HE2      LYS   9  11.872  -3.161   6.320
  352    HZ1  LYS   9           HZ1      LYS   9  14.352  -2.265   7.680
  353    HZ2  LYS   9           HZ2      LYS   9  14.246  -3.358   6.393
  354    HZ3  LYS   9           HZ3      LYS   9  13.627  -3.774   7.909
  355    H    VAL  10           H        VAL  10  11.888  -3.069   1.207
  356    HA   VAL  10           HA       VAL  10   9.732  -1.749  -0.039
  357    HB   VAL  10           HB       VAL  10  11.624  -3.791  -1.215
  358   HG11  VAL  10          HG11      VAL  10   9.938  -1.688  -2.567
  359   HG12  VAL  10          HG12      VAL  10   9.664  -3.431  -2.620
  360   HG13  VAL  10          HG13      VAL  10  11.108  -2.741  -3.362
  361   HG21  VAL  10          HG21      VAL  10  12.820  -1.942  -0.194
  362   HG22  VAL  10          HG22      VAL  10  11.828  -0.787  -1.085
  363   HG23  VAL  10          HG23      VAL  10  12.931  -1.855  -1.953
  364    H    GLU  11           H        GLU  11  10.430  -5.203   0.440
  365    HA   GLU  11           HA       GLU  11   8.223  -6.173  -1.011
  366    HB2  GLU  11           HB3      GLU  11  10.257  -7.481  -0.274
  367    HB3  GLU  11           HB2      GLU  11   9.545  -7.545   1.332
  368    HG2  GLU  11           HG3      GLU  11   9.093  -9.596   0.183
  369    HG3  GLU  11           HG2      GLU  11   7.587  -8.703   0.383
  370    H    GLU  12           H        GLU  12   8.583  -5.186   2.356
  371    HA   GLU  12           HA       GLU  12   6.139  -6.204   3.305
  372    HB2  GLU  12           HB3      GLU  12   7.951  -5.328   4.762
  373    HB3  GLU  12           HB2      GLU  12   7.532  -3.699   4.251
  374    HG2  GLU  12           HG3      GLU  12   5.335  -3.916   5.230
  375    HG3  GLU  12           HG2      GLU  12   5.669  -5.592   5.665
  376    H    LEU  13           H        LEU  13   6.868  -2.854   2.250
  377    HA   LEU  13           HA       LEU  13   4.191  -2.008   2.330
  378    HB2  LEU  13           HB3      LEU  13   6.498  -0.913   0.732
  379    HB3  LEU  13           HB2      LEU  13   4.964  -0.095   0.987
  380    HG   LEU  13           HG       LEU  13   6.221  -1.004   3.451
  381   HD11  LEU  13          HD11      LEU  13   7.917   0.794   3.471
  382   HD12  LEU  13          HD12      LEU  13   7.557   1.134   1.778
  383   HD13  LEU  13          HD13      LEU  13   8.255  -0.420   2.237
  384   HD21  LEU  13          HD21      LEU  13   5.554   1.181   4.219
  385   HD22  LEU  13          HD22      LEU  13   4.236   0.468   3.288
  386   HD23  LEU  13          HD23      LEU  13   5.256   1.710   2.566
  387    H    LEU  14           H        LEU  14   6.091  -3.425  -0.282
  388    HA   LEU  14           HA       LEU  14   4.239  -3.242  -2.343
  389    HB2  LEU  14           HB3      LEU  14   6.539  -4.060  -2.596
  390    HB3  LEU  14           HB2      LEU  14   6.160  -5.483  -1.663
  391    HG   LEU  14           HG       LEU  14   6.358  -5.785  -4.147
  392   HD11  LEU  14          HD11      LEU  14   3.761  -6.611  -2.884
  393   HD12  LEU  14          HD12      LEU  14   5.303  -7.458  -2.753
  394   HD13  LEU  14          HD13      LEU  14   4.493  -7.336  -4.316
  395   HD21  LEU  14          HD21      LEU  14   3.677  -4.417  -4.187
  396   HD22  LEU  14          HD22      LEU  14   4.490  -5.178  -5.553
  397   HD23  LEU  14          HD23      LEU  14   5.181  -3.738  -4.810
  398    H    SER  15           H        SER  15   4.485  -5.540   0.313
  399    HA   SER  15           HA       SER  15   2.158  -7.012  -0.390
  400    HB2  SER  15           HB3      SER  15   3.453  -6.733   2.330
  401    HB3  SER  15           HB2      SER  15   2.350  -8.011   1.814
  402    HG   SER  15           HG       SER  15   4.965  -7.481   0.826
  403    H    LYS  16           H        LYS  16   2.788  -4.195   1.711
  404    HA   LYS  16           HA       LYS  16   0.268  -4.106   2.935
  405    HB2  LYS  16           HB3      LYS  16   2.193  -1.881   2.278
  406    HB3  LYS  16           HB2      LYS  16   0.752  -1.664   3.259
  407    HG2  LYS  16           HG3      LYS  16   1.593  -3.267   4.884
  408    HG3  LYS  16           HG2      LYS  16   3.026  -3.534   3.894
  409    HD2  LYS  16           HD3      LYS  16   3.530  -2.017   5.720
  410    HD3  LYS  16           HD2      LYS  16   3.642  -1.174   4.178
  411    HE2  LYS  16           HE3      LYS  16   2.521   0.218   5.812
  412    HE3  LYS  16           HE2      LYS  16   1.396  -0.246   4.539
  413    HZ1  LYS  16           HZ1      LYS  16   1.579  -1.474   7.237
  414    HZ2  LYS  16           HZ2      LYS  16   0.524  -1.972   6.014
  415    HZ3  LYS  16           HZ3      LYS  16   0.358  -0.433   6.693
  416    H    ASN  17           H        ASN  17   1.353  -2.394  -0.034
  417    HA   ASN  17           HA       ASN  17  -1.215  -1.246  -0.466
  418    HB2  ASN  17           HB3      ASN  17  -0.412  -0.478  -2.580
  419    HB3  ASN  17           HB2      ASN  17   0.922  -0.344  -1.446
  420   HD21  ASN  17          HD21      ASN  17  -0.336  -2.043  -4.213
  421   HD22  ASN  17          HD22      ASN  17   1.145  -2.815  -4.655
  422    H    TYR  18           H        TYR  18   0.234  -4.281  -1.329
  423    HA   TYR  18           HA       TYR  18  -1.615  -5.074  -3.315
  424    HB2  TYR  18           HB3      TYR  18   0.560  -6.192  -2.947
  425    HB3  TYR  18           HB2      TYR  18  -0.012  -6.783  -1.391
  426    HD1  TYR  18           HD1      TYR  18  -0.466  -7.053  -5.048
  427    HD2  TYR  18           HD2      TYR  18  -1.365  -8.740  -1.248
  428    HE1  TYR  18           HE1      TYR  18  -1.327  -9.072  -6.154
  429    HE2  TYR  18           HE2      TYR  18  -2.232 -10.763  -2.345
  430    HH   TYR  18           HH       TYR  18  -3.177 -11.396  -4.554
  431    H    HIS  19           H        HIS  19  -1.486  -5.552   0.187
  432    HA   HIS  19           HA       HIS  19  -3.871  -7.061   0.383
  433    HB2  HIS  19           HB3      HIS  19  -2.190  -5.540   2.335
  434    HB3  HIS  19           HB2      HIS  19  -3.773  -6.122   2.834
  435    HD1  HIS  19           HD1      HIS  19  -3.913  -8.505   3.566
  436    HD2  HIS  19           HD2      HIS  19  -0.413  -7.690   1.482
  437    HE1  HIS  19           HE1      HIS  19  -2.506 -10.577   3.772
  438    HE2  HIS  19           HE2      HIS  19  -0.348 -10.020   2.590
  439    H    LEU  20           H        LEU  20  -3.211  -3.597   0.785
  440    HA   LEU  20           HA       LEU  20  -5.886  -2.930   1.430
  441    HB2  LEU  20           HB3      LEU  20  -3.466  -1.387   0.638
  442    HB3  LEU  20           HB2      LEU  20  -5.023  -0.590   0.544
  443    HG   LEU  20           HG       LEU  20  -3.876  -0.103   2.658
  444   HD11  LEU  20          HD11      LEU  20  -6.316  -1.828   3.036
  445   HD12  LEU  20          HD12      LEU  20  -6.321  -0.124   2.581
  446   HD13  LEU  20          HD13      LEU  20  -5.708  -0.614   4.161
  447   HD21  LEU  20          HD21      LEU  20  -4.111  -3.063   3.153
  448   HD22  LEU  20          HD22      LEU  20  -3.625  -1.858   4.345
  449   HD23  LEU  20          HD23      LEU  20  -2.615  -2.155   2.928
  450    H    GLU  21           H        GLU  21  -4.139  -3.144  -1.632
  451    HA   GLU  21           HA       GLU  21  -6.083  -1.977  -3.288
  452    HB2  GLU  21           HB3      GLU  21  -3.708  -2.736  -3.887
  453    HB3  GLU  21           HB2      GLU  21  -4.385  -4.345  -4.071
  454    HG2  GLU  21           HG3      GLU  21  -5.385  -1.959  -5.593
  455    HG3  GLU  21           HG2      GLU  21  -4.101  -3.008  -6.183
  456    H    ASN  22           H        ASN  22  -5.625  -5.342  -2.288
  457    HA   ASN  22           HA       ASN  22  -7.908  -6.359  -3.601
  458    HB2  ASN  22           HB3      ASN  22  -6.143  -7.374  -1.406
  459    HB3  ASN  22           HB2      ASN  22  -7.636  -8.224  -1.790
  460   HD21  ASN  22          HD21      ASN  22  -4.470  -7.323  -2.924
  461   HD22  ASN  22          HD22      ASN  22  -4.432  -8.407  -4.276
  462    H    GLU  23           H        GLU  23  -7.504  -4.636  -0.651
  463    HA   GLU  23           HA       GLU  23 -10.029  -5.474   0.462
  464    HB2  GLU  23           HB3      GLU  23  -8.019  -4.874   1.855
  465    HB3  GLU  23           HB2      GLU  23  -8.263  -3.185   1.359
  466    HG2  GLU  23           HG3      GLU  23 -10.359  -3.089   2.477
  467    HG3  GLU  23           HG2      GLU  23 -10.355  -4.826   2.772
  468    H    VAL  24           H        VAL  24  -8.741  -2.729  -1.332
  469    HA   VAL  24           HA       VAL  24 -11.045  -1.108  -1.226
  470    HB   VAL  24           HB       VAL  24  -8.975  -1.326  -3.434
  471   HG11  VAL  24          HG11      VAL  24 -11.106  -0.386  -4.245
  472   HG12  VAL  24          HG12      VAL  24  -9.804   0.803  -4.243
  473   HG13  VAL  24          HG13      VAL  24 -11.030   0.837  -2.974
  474   HG21  VAL  24          HG21      VAL  24  -8.022  -0.588  -1.338
  475   HG22  VAL  24          HG22      VAL  24  -9.287   0.629  -1.163
  476   HG23  VAL  24          HG23      VAL  24  -8.108   0.764  -2.468
  477    H    ALA  25           H        ALA  25 -10.037  -3.680  -3.414
  478    HA   ALA  25           HA       ALA  25 -12.082  -3.427  -5.302
  479    HB1  ALA  25           HB1      ALA  25 -10.028  -4.761  -5.621
  480    HB2  ALA  25           HB2      ALA  25 -11.497  -5.642  -6.038
  481    HB3  ALA  25           HB3      ALA  25 -10.677  -5.970  -4.512
  482    H    ARG  26           H        ARG  26 -11.966  -5.280  -2.284
  483    HA   ARG  26           HA       ARG  26 -14.325  -6.743  -2.728
  484    HB2  ARG  26           HB3      ARG  26 -14.154  -7.485  -0.530
  485    HB3  ARG  26           HB2      ARG  26 -12.505  -7.089  -0.955
  486    HG2  ARG  26           HG3      ARG  26 -12.634  -5.008   0.296
  487    HG3  ARG  26           HG2      ARG  26 -14.326  -5.354   0.687
  488    HD2  ARG  26           HD2      ARG  26 -12.654  -5.920   2.483
  489    HD3  ARG  26           HD1      ARG  26 -13.748  -7.217   2.012
  490    HE   ARG  26           HE       ARG  26 -10.913  -7.022   1.200
  491   HH11  ARG  26          HH11      ARG  26 -13.787  -8.905   1.881
  492   HH12  ARG  26          HH12      ARG  26 -12.997 -10.431   1.659
  493   HH21  ARG  26          HH21      ARG  26  -9.861  -9.039   0.937
  494   HH22  ARG  26          HH22      ARG  26 -10.761 -10.510   1.129
  495    H    LEU  27           H        LEU  27 -13.741  -3.672  -1.128
  496    HA   LEU  27           HA       LEU  27 -16.465  -3.213  -0.435
  497    HB2  LEU  27           HB3      LEU  27 -14.205  -1.250  -0.771
  498    HB3  LEU  27           HB2      LEU  27 -15.763  -0.902  -0.055
  499    HG   LEU  27           HG       LEU  27 -14.060  -3.054   1.092
  500   HD11  LEU  27          HD11      LEU  27 -12.677  -1.044   0.887
  501   HD12  LEU  27          HD12      LEU  27 -13.032  -1.461   2.566
  502   HD13  LEU  27          HD13      LEU  27 -13.899  -0.141   1.783
  503   HD21  LEU  27          HD21      LEU  27 -16.362  -2.902   1.849
  504   HD22  LEU  27          HD22      LEU  27 -16.142  -1.187   2.209
  505   HD23  LEU  27          HD23      LEU  27 -15.264  -2.405   3.138
  506    H    LYS  28           H        LYS  28 -14.461  -2.234  -3.178
  507    HA   LYS  28           HA       LYS  28 -16.145  -0.539  -4.516
  508    HB2  LYS  28           HB3      LYS  28 -13.884  -1.113  -5.279
  509    HB3  LYS  28           HB2      LYS  28 -14.439  -2.716  -5.737
  510    HG2  LYS  28           HG3      LYS  28 -14.255  -1.324  -7.692
  511    HG3  LYS  28           HG2      LYS  28 -15.953  -1.696  -7.389
  512    HD2  LYS  28           HD3      LYS  28 -16.208   0.501  -6.294
  513    HD3  LYS  28           HD2      LYS  28 -14.527   0.868  -6.684
  514    HE2  LYS  28           HE3      LYS  28 -15.037   0.653  -9.068
  515    HE3  LYS  28           HE2      LYS  28 -16.717   0.291  -8.677
  516    HZ1  LYS  28           HZ1      LYS  28 -15.292   2.827  -8.097
  517    HZ2  LYS  28           HZ2      LYS  28 -16.885   2.486  -7.643
  518    HZ3  LYS  28           HZ3      LYS  28 -16.478   2.595  -9.280
  519    H    LYS  29           H        LYS  29 -16.250  -4.097  -4.559
  520    HA   LYS  29           HA       LYS  29 -18.501  -4.132  -6.340
  521    HB2  LYS  29           HB3      LYS  29 -16.848  -6.168  -4.968
  522    HB3  LYS  29           HB2      LYS  29 -18.513  -6.627  -5.281
  523    HG2  LYS  29           HG3      LYS  29 -17.075  -7.408  -7.053
  524    HG3  LYS  29           HG2      LYS  29 -18.178  -6.194  -7.682
  525    HD2  LYS  29           HD3      LYS  29 -16.105  -5.664  -8.631
  526    HD3  LYS  29           HD2      LYS  29 -16.264  -4.533  -7.287
  527    HE2  LYS  29           HE3      LYS  29 -14.021  -5.474  -7.368
  528    HE3  LYS  29           HE2      LYS  29 -14.861  -5.975  -5.902
  529    HZ1  LYS  29           HZ1      LYS  29 -14.580  -7.633  -8.350
  530    HZ2  LYS  29           HZ2      LYS  29 -15.297  -8.111  -6.897
  531    HZ3  LYS  29           HZ3      LYS  29 -13.640  -7.794  -6.954
  532    H    LEU  30           H        LEU  30 -18.058  -4.065  -2.898
  533    HA   LEU  30           HA       LEU  30 -20.687  -4.921  -2.211
  534    HB2  LEU  30           HB3      LEU  30 -18.381  -3.755  -0.799
  535    HB3  LEU  30           HB2      LEU  30 -19.945  -3.422  -0.086
  536    HG   LEU  30           HG       LEU  30 -20.392  -5.775   0.196
  537   HD11  LEU  30          HD11      LEU  30 -18.738  -7.483  -0.397
  538   HD12  LEU  30          HD12      LEU  30 -17.762  -6.252  -1.194
  539   HD13  LEU  30          HD13      LEU  30 -19.363  -6.649  -1.818
  540   HD21  LEU  30          HD21      LEU  30 -17.603  -5.067   1.092
  541   HD22  LEU  30          HD22      LEU  30 -18.596  -6.367   1.752
  542   HD23  LEU  30          HD23      LEU  30 -19.102  -4.690   1.940
  543    H    VAL  31           H        VAL  31 -19.224  -1.781  -2.862
  544    HA   VAL  31           HA       VAL  31 -21.612  -0.326  -2.194
  545    HB   VAL  31           HB       VAL  31 -19.275   0.648  -3.858
  546   HG11  VAL  31          HG11      VAL  31 -21.314   2.018  -3.998
  547   HG12  VAL  31          HG12      VAL  31 -19.995   2.864  -3.193
  548   HG13  VAL  31          HG13      VAL  31 -21.311   2.177  -2.242
  549   HG21  VAL  31          HG21      VAL  31 -19.690   0.823  -0.877
  550   HG22  VAL  31          HG22      VAL  31 -18.389   1.595  -1.783
  551   HG23  VAL  31          HG23      VAL  31 -18.485  -0.165  -1.702
  552    H    GLY  32           H        GLY  32 -20.324  -1.911  -4.989
  553    HA2  GLY  32           HA3      GLY  32 -22.063  -0.542  -6.854
  554    HA3  GLY  32           HA2      GLY  32 -20.961  -1.860  -7.226
  555    H    GLU  33           H        GLU  33 -21.722  -3.895  -5.708
  556    HA   GLU  33           HA       GLU  33 -23.153  -5.638  -5.603
  557    HB2  GLU  33           HB3      GLU  33 -24.509  -4.080  -4.232
  558    HB3  GLU  33           HB2      GLU  33 -25.334  -3.544  -5.688
  559    HG2  GLU  33           HG3      GLU  33 -26.706  -5.121  -4.498
  560    HG3  GLU  33           HG2      GLU  33 -26.185  -5.819  -6.028
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  24.289   7.919  -8.689
    2    H2   GLY   1           H2       GLY   1  23.883   9.527  -8.357
    3    H3   GLY   1           H3       GLY   1  22.815   8.546  -9.225
    4    HA2  GLY   1           HA2      GLY   1  23.600   8.154  -6.398
    5    HA3  GLY   1           HA3      GLY   1  22.070   8.823  -6.947
    6    H    SER   2           H        SER   2  21.939   6.702  -5.334
    7    HA   SER   2           HA       SER   2  20.544   4.804  -6.911
    8    HB2  SER   2           HB3      SER   2  22.849   4.028  -7.372
    9    HB3  SER   2           HB2      SER   2  23.115   3.827  -5.641
   10    HG   SER   2           HG       SER   2  22.440   1.871  -6.099
   11    H    MET   3           H        MET   3  22.305   5.094  -3.812
   12    HA   MET   3           HA       MET   3  20.582   3.402  -2.383
   13    HB2  MET   3           HB3      MET   3  22.446   5.566  -1.427
   14    HB3  MET   3           HB2      MET   3  21.591   4.475  -0.347
   15    HG2  MET   3           HG3      MET   3  23.629   3.728  -2.430
   16    HG3  MET   3           HG2      MET   3  23.834   3.689  -0.680
   17    HE1  MET   3           HE1      MET   3  20.899   2.520   0.151
   18    HE2  MET   3           HE2      MET   3  22.413   2.040   0.915
   19    HE3  MET   3           HE3      MET   3  21.308   0.811   0.304
   20    H    LYS   4           H        LYS   4  20.689   6.977  -2.473
   21    HA   LYS   4           HA       LYS   4  18.472   7.301  -0.749
   22    HB2  LYS   4           HB3      LYS   4  20.095   9.102  -1.189
   23    HB3  LYS   4           HB2      LYS   4  19.519   9.209  -2.846
   24    HG2  LYS   4           HG3      LYS   4  17.410  10.038  -2.155
   25    HG3  LYS   4           HG2      LYS   4  17.748   9.667  -0.463
   26    HD2  LYS   4           HD3      LYS   4  17.990  12.051  -0.875
   27    HD3  LYS   4           HD2      LYS   4  19.548  11.337  -0.467
   28    HE2  LYS   4           HE3      LYS   4  19.811  12.894  -2.297
   29    HE3  LYS   4           HE2      LYS   4  20.109  11.253  -2.863
   30    HZ1  LYS   4           HZ1      LYS   4  18.748  12.560  -4.403
   31    HZ2  LYS   4           HZ2      LYS   4  17.557  12.728  -3.215
   32    HZ3  LYS   4           HZ3      LYS   4  17.922  11.198  -3.834
   33    H    GLN   5           H        GLN   5  18.756   6.929  -4.225
   34    HA   GLN   5           HA       GLN   5  16.063   7.509  -4.863
   35    HB2  GLN   5           HB3      GLN   5  18.043   5.722  -6.290
   36    HB3  GLN   5           HB2      GLN   5  16.507   6.255  -6.958
   37    HG2  GLN   5           HG3      GLN   5  17.290   8.597  -6.744
   38    HG3  GLN   5           HG2      GLN   5  18.858   7.981  -6.230
   39   HE21  GLN   5          HE21      GLN   5  16.651   8.353  -8.875
   40   HE22  GLN   5          HE22      GLN   5  17.765   7.937 -10.128
   41    H    LEU   6           H        LEU   6  17.725   4.588  -3.839
   42    HA   LEU   6           HA       LEU   6  15.508   2.840  -4.190
   43    HB2  LEU   6           HB3      LEU   6  18.056   2.337  -3.880
   44    HB3  LEU   6           HB2      LEU   6  17.690   2.398  -2.172
   45    HG   LEU   6           HG       LEU   6  17.756   0.099  -3.139
   46   HD11  LEU   6          HD11      LEU   6  15.762  -0.709  -2.031
   47   HD12  LEU   6          HD12      LEU   6  15.081   0.919  -2.031
   48   HD13  LEU   6          HD13      LEU   6  16.525   0.566  -1.082
   49   HD21  LEU   6          HD21      LEU   6  15.929  -0.673  -4.517
   50   HD22  LEU   6          HD22      LEU   6  16.772   0.651  -5.319
   51   HD23  LEU   6          HD23      LEU   6  15.222   0.941  -4.532
   52    H    GLU   7           H        GLU   7  16.734   4.804  -1.526
   53    HA   GLU   7           HA       GLU   7  14.909   3.966   0.446
   54    HB2  GLU   7           HB3      GLU   7  16.274   6.641   0.080
   55    HB3  GLU   7           HB2      GLU   7  15.416   6.151   1.531
   56    HG2  GLU   7           HG3      GLU   7  17.856   4.808   0.395
   57    HG3  GLU   7           HG2      GLU   7  17.829   5.907   1.773
   58    H    ASP   8           H        ASP   8  14.700   6.396  -2.093
   59    HA   ASP   8           HA       ASP   8  12.127   7.371  -1.309
   60    HB2  ASP   8           HB3      ASP   8  13.755   7.630  -3.825
   61    HB3  ASP   8           HB2      ASP   8  12.104   8.232  -3.741
   62    H    LYS   9           H        LYS   9  13.253   4.644  -3.077
   63    HA   LYS   9           HA       LYS   9  10.864   4.115  -4.540
   64    HB2  LYS   9           HB3      LYS   9  13.079   3.185  -5.156
   65    HB3  LYS   9           HB2      LYS   9  13.059   2.210  -3.695
   66    HG2  LYS   9           HG3      LYS   9  11.167   0.953  -4.508
   67    HG3  LYS   9           HG2      LYS   9  11.051   1.995  -5.930
   68    HD2  LYS   9           HD3      LYS   9  13.311   1.278  -6.608
   69    HD3  LYS   9           HD2      LYS   9  13.366   0.195  -5.218
   70    HE2  LYS   9           HE3      LYS   9  11.307   0.052  -7.414
   71    HE3  LYS   9           HE2      LYS   9  12.770  -0.927  -7.355
   72    HZ1  LYS   9           HZ1      LYS   9  10.861  -2.122  -6.493
   73    HZ2  LYS   9           HZ2      LYS   9  10.613  -0.936  -5.319
   74    HZ3  LYS   9           HZ3      LYS   9  12.012  -1.884  -5.280
   75    H    VAL  10           H        VAL  10  12.100   3.214  -1.373
   76    HA   VAL  10           HA       VAL  10  10.045   1.429  -0.629
   77    HB   VAL  10           HB       VAL  10  11.562   3.306   1.197
   78   HG11  VAL  10          HG11      VAL  10  11.125   1.609   2.911
   79   HG12  VAL  10          HG12      VAL  10  10.188   0.678   1.744
   80   HG13  VAL  10          HG13      VAL  10   9.628   2.271   2.250
   81   HG21  VAL  10          HG21      VAL  10  13.211   1.584   1.478
   82   HG22  VAL  10          HG22      VAL  10  13.060   1.935  -0.244
   83   HG23  VAL  10          HG23      VAL  10  12.309   0.491   0.433
   84    H    GLU  11           H        GLU  11  10.441   4.916  -0.158
   85    HA   GLU  11           HA       GLU  11   7.957   5.300   1.157
   86    HB2  GLU  11           HB3      GLU  11   9.707   7.289  -0.300
   87    HB3  GLU  11           HB2      GLU  11   8.376   7.701   0.775
   88    HG2  GLU  11           HG3      GLU  11   9.548   6.624   2.629
   89    HG3  GLU  11           HG2      GLU  11  10.886   6.232   1.552
   90    H    GLU  12           H        GLU  12   8.930   5.208  -2.177
   91    HA   GLU  12           HA       GLU  12   6.768   6.431  -3.411
   92    HB2  GLU  12           HB3      GLU  12   8.746   5.619  -4.627
   93    HB3  GLU  12           HB2      GLU  12   8.245   3.960  -4.333
   94    HG2  GLU  12           HG3      GLU  12   6.222   4.336  -5.649
   95    HG3  GLU  12           HG2      GLU  12   6.724   6.000  -5.943
   96    H    LEU  13           H        LEU  13   7.086   2.955  -2.585
   97    HA   LEU  13           HA       LEU  13   4.349   2.479  -3.191
   98    HB2  LEU  13           HB3      LEU  13   6.389   0.771  -1.802
   99    HB3  LEU  13           HB2      LEU  13   4.712   0.285  -1.953
  100    HG   LEU  13           HG       LEU  13   5.134   0.847  -4.496
  101   HD11  LEU  13          HD11      LEU  13   7.875   0.075  -3.509
  102   HD12  LEU  13          HD12      LEU  13   7.413   1.632  -4.195
  103   HD13  LEU  13          HD13      LEU  13   7.375   0.181  -5.196
  104   HD21  LEU  13          HD21      LEU  13   4.372  -1.289  -3.649
  105   HD22  LEU  13          HD22      LEU  13   6.010  -1.694  -3.131
  106   HD23  LEU  13          HD23      LEU  13   5.644  -1.529  -4.849
  107    H    LEU  14           H        LEU  14   5.919   3.575  -0.269
  108    HA   LEU  14           HA       LEU  14   3.754   2.982   1.445
  109    HB2  LEU  14           HB3      LEU  14   6.092   3.855   2.101
  110    HB3  LEU  14           HB2      LEU  14   5.446   5.448   1.714
  111    HG   LEU  14           HG       LEU  14   3.894   3.719   3.591
  112   HD11  LEU  14          HD11      LEU  14   6.248   3.579   4.381
  113   HD12  LEU  14          HD12      LEU  14   5.137   4.352   5.508
  114   HD13  LEU  14          HD13      LEU  14   6.244   5.337   4.557
  115   HD21  LEU  14          HD21      LEU  14   2.990   5.858   2.883
  116   HD22  LEU  14          HD22      LEU  14   4.425   6.679   3.501
  117   HD23  LEU  14          HD23      LEU  14   3.335   5.848   4.613
  118    H    SER  15           H        SER  15   4.522   5.699  -0.650
  119    HA   SER  15           HA       SER  15   2.196   7.209  -0.152
  120    HB2  SER  15           HB3      SER  15   3.749   7.053  -2.748
  121    HB3  SER  15           HB2      SER  15   2.743   8.390  -2.190
  122    HG   SER  15           HG       SER  15   5.262   7.534  -1.239
  123    H    LYS  16           H        LYS  16   2.934   4.511  -2.273
  124    HA   LYS  16           HA       LYS  16   0.582   4.424  -3.780
  125    HB2  LYS  16           HB3      LYS  16   2.613   3.085  -4.222
  126    HB3  LYS  16           HB2      LYS  16   2.272   2.122  -2.793
  127    HG2  LYS  16           HG3      LYS  16   0.160   1.382  -3.850
  128    HG3  LYS  16           HG2      LYS  16   0.626   2.264  -5.309
  129    HD2  LYS  16           HD3      LYS  16   2.676   0.917  -5.450
  130    HD3  LYS  16           HD2      LYS  16   2.177   0.023  -4.014
  131    HE2  LYS  16           HE3      LYS  16   1.618  -1.313  -5.896
  132    HE3  LYS  16           HE2      LYS  16   0.114  -0.646  -5.263
  133    HZ1  LYS  16           HZ1      LYS  16   0.179   1.043  -6.994
  134    HZ2  LYS  16           HZ2      LYS  16   0.183  -0.509  -7.660
  135    HZ3  LYS  16           HZ3      LYS  16   1.613   0.389  -7.604
  136    H    ASN  17           H        ASN  17   1.348   2.655  -0.732
  137    HA   ASN  17           HA       ASN  17  -1.325   1.696  -0.493
  138    HB2  ASN  17           HB3      ASN  17  -0.713   0.886   1.726
  139    HB3  ASN  17           HB2      ASN  17   0.520   0.465   0.548
  140   HD21  ASN  17          HD21      ASN  17  -0.264   2.527   3.256
  141   HD22  ASN  17          HD22      ASN  17   1.363   2.952   3.642
  142    H    TYR  18           H        TYR  18   0.376   4.485   0.854
  143    HA   TYR  18           HA       TYR  18  -1.518   5.406   2.639
  144    HB2  TYR  18           HB3      TYR  18   0.628   6.514   2.362
  145    HB3  TYR  18           HB2      TYR  18   0.198   7.004   0.728
  146    HD1  TYR  18           HD1      TYR  18  -0.912   9.035   0.344
  147    HD2  TYR  18           HD2      TYR  18  -0.724   7.477   4.299
  148    HE1  TYR  18           HE1      TYR  18  -1.832  11.140   1.213
  149    HE2  TYR  18           HE2      TYR  18  -1.646   9.583   5.178
  150    HH   TYR  18           HH       TYR  18  -1.825  11.930   4.524
  151    H    HIS  19           H        HIS  19  -1.359   6.109  -0.855
  152    HA   HIS  19           HA       HIS  19  -3.841   7.515  -0.877
  153    HB2  HIS  19           HB3      HIS  19  -2.247   6.287  -3.134
  154    HB3  HIS  19           HB2      HIS  19  -3.679   7.282  -3.367
  155    HD1  HIS  19           HD1      HIS  19  -0.329   7.678  -3.848
  156    HD2  HIS  19           HD2      HIS  19  -3.042   9.826  -1.541
  157    HE1  HIS  19           HE1      HIS  19   0.711   9.942  -3.510
  158    HE2  HIS  19           HE2      HIS  19  -1.024  11.273  -2.258
  159    H    LEU  20           H        LEU  20  -2.891   4.185  -1.428
  160    HA   LEU  20           HA       LEU  20  -5.317   3.289  -2.523
  161    HB2  LEU  20           HB3      LEU  20  -3.151   2.110  -2.669
  162    HB3  LEU  20           HB2      LEU  20  -3.240   1.776  -0.951
  163    HG   LEU  20           HG       LEU  20  -5.233   0.425  -1.313
  164   HD11  LEU  20          HD11      LEU  20  -4.756   1.022  -4.227
  165   HD12  LEU  20          HD12      LEU  20  -6.154   1.510  -3.269
  166   HD13  LEU  20          HD13      LEU  20  -5.874  -0.196  -3.616
  167   HD21  LEU  20          HD21      LEU  20  -2.906  -0.331  -3.066
  168   HD22  LEU  20          HD22      LEU  20  -4.123  -1.437  -2.431
  169   HD23  LEU  20          HD23      LEU  20  -3.028  -0.607  -1.329
  170    H    GLU  21           H        GLU  21  -4.143   3.642   0.796
  171    HA   GLU  21           HA       GLU  21  -6.333   2.367   2.058
  172    HB2  GLU  21           HB3      GLU  21  -4.181   2.972   3.185
  173    HB3  GLU  21           HB2      GLU  21  -4.684   4.657   3.149
  174    HG2  GLU  21           HG3      GLU  21  -6.603   4.132   4.547
  175    HG3  GLU  21           HG2      GLU  21  -6.147   2.431   4.555
  176    H    ASN  22           H        ASN  22  -5.871   5.572   0.747
  177    HA   ASN  22           HA       ASN  22  -8.179   6.785   1.832
  178    HB2  ASN  22           HB3      ASN  22  -6.528   7.343  -0.614
  179    HB3  ASN  22           HB2      ASN  22  -8.013   8.234  -0.313
  180   HD21  ASN  22          HD21      ASN  22  -5.891   7.130   2.243
  181   HD22  ASN  22          HD22      ASN  22  -5.338   8.698   2.712
  182    H    GLU  23           H        GLU  23  -7.678   4.521  -0.724
  183    HA   GLU  23           HA       GLU  23 -10.245   4.888  -1.964
  184    HB2  GLU  23           HB3      GLU  23  -8.013   2.916  -2.279
  185    HB3  GLU  23           HB2      GLU  23  -9.619   2.507  -2.914
  186    HG2  GLU  23           HG3      GLU  23  -8.397   3.433  -4.700
  187    HG3  GLU  23           HG2      GLU  23  -9.542   4.667  -4.187
  188    H    VAL  24           H        VAL  24  -8.890   2.791   0.510
  189    HA   VAL  24           HA       VAL  24 -11.148   1.069   0.671
  190    HB   VAL  24           HB       VAL  24  -9.200   1.639   2.911
  191   HG11  VAL  24          HG11      VAL  24 -11.184   0.373   3.565
  192   HG12  VAL  24          HG12      VAL  24  -9.742  -0.639   3.628
  193   HG13  VAL  24          HG13      VAL  24 -10.875  -0.803   2.282
  194   HG21  VAL  24          HG21      VAL  24  -7.854  -0.216   2.082
  195   HG22  VAL  24          HG22      VAL  24  -7.958   1.070   0.880
  196   HG23  VAL  24          HG23      VAL  24  -8.931  -0.390   0.697
  197    H    ALA  25           H        ALA  25 -10.175   4.048   2.245
  198    HA   ALA  25           HA       ALA  25 -12.105   4.024   4.304
  199    HB1  ALA  25           HB1      ALA  25 -10.045   5.404   4.305
  200    HB2  ALA  25           HB2      ALA  25 -11.507   6.305   4.707
  201    HB3  ALA  25           HB3      ALA  25 -10.797   6.451   3.100
  202    H    ARG  26           H        ARG  26 -12.174   5.393   1.036
  203    HA   ARG  26           HA       ARG  26 -14.573   6.840   1.389
  204    HB2  ARG  26           HB3      ARG  26 -14.629   6.799  -1.141
  205    HB3  ARG  26           HB2      ARG  26 -13.225   7.540  -0.403
  206    HG2  ARG  26           HG3      ARG  26 -11.998   5.408  -0.792
  207    HG3  ARG  26           HG2      ARG  26 -13.394   4.817  -1.695
  208    HD2  ARG  26           HD2      ARG  26 -11.730   7.249  -2.326
  209    HD3  ARG  26           HD1      ARG  26 -11.736   5.726  -3.210
  210    HE   ARG  26           HE       ARG  26 -14.321   6.545  -3.325
  211   HH11  ARG  26          HH11      ARG  26 -11.267   8.061  -4.111
  212   HH12  ARG  26          HH12      ARG  26 -11.932   9.044  -5.376
  213   HH21  ARG  26          HH21      ARG  26 -15.206   7.846  -4.985
  214   HH22  ARG  26          HH22      ARG  26 -14.173   8.922  -5.869
  215    H    LEU  27           H        LEU  27 -13.905   3.626   0.073
  216    HA   LEU  27           HA       LEU  27 -16.599   3.015  -0.537
  217    HB2  LEU  27           HB3      LEU  27 -14.309   1.162   0.070
  218    HB3  LEU  27           HB2      LEU  27 -15.850   0.697  -0.612
  219    HG   LEU  27           HG       LEU  27 -14.145   2.703  -1.996
  220   HD11  LEU  27          HD11      LEU  27 -13.151   0.923  -3.281
  221   HD12  LEU  27          HD12      LEU  27 -14.018  -0.276  -2.319
  222   HD13  LEU  27          HD13      LEU  27 -12.779   0.731  -1.568
  223   HD21  LEU  27          HD21      LEU  27 -15.357   1.754  -3.956
  224   HD22  LEU  27          HD22      LEU  27 -16.402   2.544  -2.777
  225   HD23  LEU  27          HD23      LEU  27 -16.304   0.783  -2.826
  226    H    LYS  28           H        LYS  28 -14.605   2.407   2.317
  227    HA   LYS  28           HA       LYS  28 -16.272   0.793   3.772
  228    HB2  LYS  28           HB3      LYS  28 -14.005   1.580   4.478
  229    HB3  LYS  28           HB2      LYS  28 -14.732   3.114   4.936
  230    HG2  LYS  28           HG3      LYS  28 -14.517   1.833   6.913
  231    HG3  LYS  28           HG2      LYS  28 -16.230   1.833   6.485
  232    HD2  LYS  28           HD3      LYS  28 -15.798  -0.382   5.328
  233    HD3  LYS  28           HD2      LYS  28 -14.223  -0.382   6.120
  234    HE2  LYS  28           HE3      LYS  28 -16.944  -0.442   7.406
  235    HE3  LYS  28           HE2      LYS  28 -15.691  -1.680   7.466
  236    HZ1  LYS  28           HZ1      LYS  28 -14.294  -0.003   8.656
  237    HZ2  LYS  28           HZ2      LYS  28 -15.646  -0.545   9.512
  238    HZ3  LYS  28           HZ3      LYS  28 -15.673   0.979   8.775
  239    H    LYS  29           H        LYS  29 -16.370   4.363   3.715
  240    HA   LYS  29           HA       LYS  29 -18.656   4.464   5.413
  241    HB2  LYS  29           HB3      LYS  29 -18.658   6.872   4.880
  242    HB3  LYS  29           HB2      LYS  29 -17.102   6.286   5.429
  243    HG2  LYS  29           HG3      LYS  29 -16.406   6.160   3.028
  244    HG3  LYS  29           HG2      LYS  29 -17.917   6.970   2.617
  245    HD2  LYS  29           HD3      LYS  29 -15.813   8.080   4.475
  246    HD3  LYS  29           HD2      LYS  29 -15.988   8.515   2.777
  247    HE2  LYS  29           HE3      LYS  29 -18.108   8.900   4.885
  248    HE3  LYS  29           HE2      LYS  29 -17.006  10.156   4.326
  249    HZ1  LYS  29           HZ1      LYS  29 -19.124  10.323   3.214
  250    HZ2  LYS  29           HZ2      LYS  29 -19.009   8.732   2.662
  251    HZ3  LYS  29           HZ3      LYS  29 -17.929   9.899   2.097
  252    H    LEU  30           H        LEU  30 -18.215   4.114   2.012
  253    HA   LEU  30           HA       LEU  30 -20.856   4.847   1.224
  254    HB2  LEU  30           HB3      LEU  30 -18.670   3.220  -0.009
  255    HB3  LEU  30           HB2      LEU  30 -20.267   3.232  -0.730
  256    HG   LEU  30           HG       LEU  30 -18.602   5.705  -0.257
  257   HD11  LEU  30          HD11      LEU  30 -19.001   4.068  -2.755
  258   HD12  LEU  30          HD12      LEU  30 -17.492   4.297  -1.874
  259   HD13  LEU  30          HD13      LEU  30 -18.248   5.659  -2.697
  260   HD21  LEU  30          HD21      LEU  30 -21.011   6.114  -0.342
  261   HD22  LEU  30          HD22      LEU  30 -21.109   5.247  -1.874
  262   HD23  LEU  30          HD23      LEU  30 -20.206   6.758  -1.771
  263    H    VAL  31           H        VAL  31 -19.376   1.948   2.502
  264    HA   VAL  31           HA       VAL  31 -21.755   0.364   2.013
  265    HB   VAL  31           HB       VAL  31 -19.338  -0.449   3.639
  266   HG11  VAL  31          HG11      VAL  31 -21.389  -1.821   3.888
  267   HG12  VAL  31          HG12      VAL  31 -20.039  -2.704   3.175
  268   HG13  VAL  31          HG13      VAL  31 -21.352  -2.128   2.150
  269   HG21  VAL  31          HG21      VAL  31 -19.819  -0.812   0.685
  270   HG22  VAL  31          HG22      VAL  31 -18.481  -1.501   1.608
  271   HG23  VAL  31          HG23      VAL  31 -18.614   0.247   1.419
  272    H    GLY  32           H        GLY  32 -20.306   2.183   4.646
  273    HA2  GLY  32           HA3      GLY  32 -22.581   2.574   6.073
  274    HA3  GLY  32           HA2      GLY  32 -22.038   1.005   6.635
  275    H    GLU  33           H        GLU  33 -19.269   2.632   5.919
  276    HA   GLU  33           HA       GLU  33 -17.694   3.767   7.070
  277    HB2  GLU  33           HB3      GLU  33 -19.353   5.516   7.443
  278    HB3  GLU  33           HB2      GLU  33 -19.976   4.651   8.842
  279    HG2  GLU  33           HG3      GLU  33 -17.826   4.932   9.967
  280    HG3  GLU  33           HG2      GLU  33 -17.218   5.813   8.570
  281    H1   GLY   1           H1       GLY   1  24.311  -8.151   7.983
  282    H2   GLY   1           H2       GLY   1  23.923  -9.757   7.631
  283    H3   GLY   1           H3       GLY   1  22.844  -8.799   8.510
  284    HA2  GLY   1           HA2      GLY   1  23.625  -8.373   5.685
  285    HA3  GLY   1           HA3      GLY   1  22.097  -9.049   6.233
  286    H    SER   2           H        SER   2  21.961  -6.908   4.636
  287    HA   SER   2           HA       SER   2  20.564  -5.023   6.232
  288    HB2  SER   2           HB3      SER   2  22.861  -4.237   6.694
  289    HB3  SER   2           HB2      SER   2  23.133  -4.041   4.963
  290    HG   SER   2           HG       SER   2  22.474  -2.081   5.449
  291    H    MET   3           H        MET   3  22.316  -5.302   3.125
  292    HA   MET   3           HA       MET   3  20.592  -3.596   1.711
  293    HB2  MET   3           HB3      MET   3  22.453  -5.756   0.738
  294    HB3  MET   3           HB2      MET   3  21.595  -4.658  -0.333
  295    HG2  MET   3           HG3      MET   3  23.643  -3.925   1.744
  296    HG3  MET   3           HG2      MET   3  23.838  -3.873  -0.006
  297    HE1  MET   3           HE1      MET   3  20.902  -2.701  -0.818
  298    HE2  MET   3           HE2      MET   3  22.417  -2.220  -1.583
  299    HE3  MET   3           HE3      MET   3  21.313  -0.992  -0.966
  300    H    LYS   4           H        LYS   4  20.688  -7.166   1.797
  301    HA   LYS   4           HA       LYS   4  18.474  -7.479   0.064
  302    HB2  LYS   4           HB3      LYS   4  20.097  -9.285   0.491
  303    HB3  LYS   4           HB2      LYS   4  19.528  -9.400   2.148
  304    HG2  LYS   4           HG3      LYS   4  17.413 -10.221   1.460
  305    HG3  LYS   4           HG2      LYS   4  17.745  -9.845  -0.229
  306    HD2  LYS   4           HD3      LYS   4  17.981 -12.230   0.170
  307    HD3  LYS   4           HD2      LYS   4  19.541 -11.520  -0.240
  308    HE2  LYS   4           HE3      LYS   4  19.805 -13.088   1.580
  309    HE3  LYS   4           HE2      LYS   4  20.115 -11.452   2.152
  310    HZ1  LYS   4           HZ1      LYS   4  18.753 -12.756   3.694
  311    HZ2  LYS   4           HZ2      LYS   4  17.554 -12.912   2.512
  312    HZ3  LYS   4           HZ3      LYS   4  17.934 -11.388   3.134
  313    H    GLN   5           H        GLN   5  18.769  -7.131   3.543
  314    HA   GLN   5           HA       GLN   5  16.080  -7.706   4.190
  315    HB2  GLN   5           HB3      GLN   5  18.069  -5.934   5.619
  316    HB3  GLN   5           HB2      GLN   5  16.535  -6.470   6.290
  317    HG2  GLN   5           HG3      GLN   5  17.311  -8.811   6.055
  318    HG3  GLN   5           HG2      GLN   5  18.879  -8.195   5.539
  319   HE21  GLN   5          HE21      GLN   5  16.675  -8.573   8.188
  320   HE22  GLN   5          HE22      GLN   5  17.793  -8.171   9.442
  321    H    LEU   6           H        LEU   6  17.741  -4.786   3.177
  322    HA   LEU   6           HA       LEU   6  15.530  -3.031   3.540
  323    HB2  LEU   6           HB3      LEU   6  18.079  -2.535   3.223
  324    HB3  LEU   6           HB2      LEU   6  17.705  -2.588   1.515
  325    HG   LEU   6           HG       LEU   6  17.780  -0.292   2.490
  326   HD11  LEU   6          HD11      LEU   6  15.779   0.525   1.396
  327   HD12  LEU   6          HD12      LEU   6  15.097  -1.102   1.392
  328   HD13  LEU   6          HD13      LEU   6  16.536  -0.746   0.438
  329   HD21  LEU   6          HD21      LEU   6  15.965   0.478   3.883
  330   HD22  LEU   6          HD22      LEU   6  16.804  -0.855   4.673
  331   HD23  LEU   6          HD23      LEU   6  15.251  -1.131   3.890
  332    H    GLU   7           H        GLU   7  16.745  -4.986   0.867
  333    HA   GLU   7           HA       GLU   7  14.918  -4.130  -1.098
  334    HB2  GLU   7           HB3      GLU   7  16.277  -6.809  -0.750
  335    HB3  GLU   7           HB2      GLU   7  15.414  -6.309  -2.196
  336    HG2  GLU   7           HG3      GLU   7  17.858  -4.972  -1.062
  337    HG3  GLU   7           HG2      GLU   7  17.827  -6.068  -2.441
  338    H    ASP   8           H        ASP   8  14.708  -6.583   1.422
  339    HA   ASP   8           HA       ASP   8  12.131  -7.541   0.642
  340    HB2  ASP   8           HB3      ASP   8  13.767  -7.813   3.152
  341    HB3  ASP   8           HB2      ASP   8  12.115  -8.415   3.071
  342    H    LYS   9           H        LYS   9  13.268  -4.830   2.429
  343    HA   LYS   9           HA       LYS   9  10.885  -4.306   3.902
  344    HB2  LYS   9           HB3      LYS   9  13.103  -3.381   4.515
  345    HB3  LYS   9           HB2      LYS   9  13.080  -2.398   3.060
  346    HG2  LYS   9           HG3      LYS   9  11.196  -1.141   3.888
  347    HG3  LYS   9           HG2      LYS   9  11.081  -2.190   5.304
  348    HD2  LYS   9           HD3      LYS   9  13.349  -1.481   5.975
  349    HD3  LYS   9           HD2      LYS   9  13.397  -0.391   4.591
  350    HE2  LYS   9           HE3      LYS   9  11.349  -0.256   6.796
  351    HE3  LYS   9           HE2      LYS   9  12.813   0.722   6.736
  352    HZ1  LYS   9           HZ1      LYS   9  10.901   1.921   5.887
  353    HZ2  LYS   9           HZ2      LYS   9  10.646   0.737   4.711
  354    HZ3  LYS   9           HZ3      LYS   9  12.045   1.685   4.664
  355    H    VAL  10           H        VAL  10  12.107  -3.387   0.738
  356    HA   VAL  10           HA       VAL  10  10.049  -1.596   0.011
  357    HB   VAL  10           HB       VAL  10  11.559  -3.462  -1.835
  358   HG11  VAL  10          HG11      VAL  10  11.114  -1.754  -3.535
  359   HG12  VAL  10          HG12      VAL  10  10.184  -0.828  -2.357
  360   HG13  VAL  10          HG13      VAL  10   9.621  -2.419  -2.870
  361   HG21  VAL  10          HG21      VAL  10  13.207  -1.739  -2.112
  362   HG22  VAL  10          HG22      VAL  10  13.061  -2.101  -0.391
  363   HG23  VAL  10          HG23      VAL  10  12.311  -0.651  -1.057
  364    H    GLU  11           H        GLU  11  10.438  -5.081  -0.472
  365    HA   GLU  11           HA       GLU  11   7.951  -5.452  -1.788
  366    HB2  GLU  11           HB3      GLU  11   9.704  -7.449  -0.351
  367    HB3  GLU  11           HB2      GLU  11   8.370  -7.853  -1.423
  368    HG2  GLU  11           HG3      GLU  11   9.535  -6.765  -3.276
  369    HG3  GLU  11           HG2      GLU  11  10.880  -6.386  -2.199
  370    H    GLU  12           H        GLU  12   8.937  -5.389   1.544
  371    HA   GLU  12           HA       GLU  12   6.776  -6.610   2.778
  372    HB2  GLU  12           HB3      GLU  12   8.764  -5.819   3.992
  373    HB3  GLU  12           HB2      GLU  12   8.273  -4.155   3.710
  374    HG2  GLU  12           HG3      GLU  12   6.250  -4.529   5.027
  375    HG3  GLU  12           HG2      GLU  12   6.752  -6.194   5.319
  376    H    LEU  13           H        LEU  13   7.102  -3.128   1.964
  377    HA   LEU  13           HA       LEU  13   4.367  -2.650   2.589
  378    HB2  LEU  13           HB3      LEU  13   6.404  -0.937   1.201
  379    HB3  LEU  13           HB2      LEU  13   4.728  -0.450   1.362
  380    HG   LEU  13           HG       LEU  13   5.162  -1.027   3.902
  381   HD11  LEU  13          HD11      LEU  13   7.899  -0.253   2.908
  382   HD12  LEU  13          HD12      LEU  13   7.436  -1.811   3.594
  383   HD13  LEU  13          HD13      LEU  13   7.407  -0.363   4.599
  384   HD21  LEU  13          HD21      LEU  13   4.394   1.112   3.072
  385   HD22  LEU  13          HD22      LEU  13   6.030   1.522   2.548
  386   HD23  LEU  13          HD23      LEU  13   5.672   1.348   4.266
  387    H    LEU  14           H        LEU  14   5.925  -3.734  -0.344
  388    HA   LEU  14           HA       LEU  14   3.752  -3.127  -2.045
  389    HB2  LEU  14           HB3      LEU  14   6.084  -3.999  -2.715
  390    HB3  LEU  14           HB2      LEU  14   5.437  -5.595  -2.334
  391    HG   LEU  14           HG       LEU  14   3.877  -3.853  -4.196
  392   HD11  LEU  14          HD11      LEU  14   6.231  -3.714  -4.996
  393   HD12  LEU  14          HD12      LEU  14   5.110  -4.474  -6.121
  394   HD13  LEU  14          HD13      LEU  14   6.218  -5.471  -5.184
  395   HD21  LEU  14          HD21      LEU  14   2.977  -5.996  -3.496
  396   HD22  LEU  14          HD22      LEU  14   4.412  -6.812  -4.115
  397   HD23  LEU  14          HD23      LEU  14   3.321  -5.981  -5.225
  398    H    SER  15           H        SER  15   4.525  -5.862   0.029
  399    HA   SER  15           HA       SER  15   2.193  -7.360  -0.469
  400    HB2  SER  15           HB3      SER  15   3.753  -7.222   2.123
  401    HB3  SER  15           HB2      SER  15   2.742  -8.554   1.562
  402    HG   SER  15           HG       SER  15   5.262  -7.703   0.617
  403    H    LYS  16           H        LYS  16   2.942  -4.674   1.664
  404    HA   LYS  16           HA       LYS  16   0.597  -4.592   3.178
  405    HB2  LYS  16           HB3      LYS  16   2.632  -3.256   3.617
  406    HB3  LYS  16           HB2      LYS  16   2.287  -2.284   2.197
  407    HG2  LYS  16           HG3      LYS  16   0.179  -1.550   3.272
  408    HG3  LYS  16           HG2      LYS  16   0.653  -2.442   4.722
  409    HD2  LYS  16           HD3      LYS  16   2.702  -1.096   4.863
  410    HD3  LYS  16           HD2      LYS  16   2.201  -0.192   3.434
  411    HE2  LYS  16           HE3      LYS  16   1.650   1.130   5.332
  412    HE3  LYS  16           HE2      LYS  16   0.143   0.475   4.690
  413    HZ1  LYS  16           HZ1      LYS  16   0.198  -1.233   6.403
  414    HZ2  LYS  16           HZ2      LYS  16   0.210   0.313   7.087
  415    HZ3  LYS  16           HZ3      LYS  16   1.637  -0.592   7.023
  416    H    ASN  17           H        ASN  17   1.355  -2.807   0.137
  417    HA   ASN  17           HA       ASN  17  -1.319  -1.845  -0.084
  418    HB2  ASN  17           HB3      ASN  17  -0.715  -1.023  -2.301
  419    HB3  ASN  17           HB2      ASN  17   0.525  -0.613  -1.127
  420   HD21  ASN  17          HD21      ASN  17  -0.275  -2.673  -3.842
  421   HD22  ASN  17          HD22      ASN  17   1.350  -3.102  -4.234
  422    H    TYR  18           H        TYR  18   0.373  -4.632  -1.449
  423    HA   TYR  18           HA       TYR  18  -1.527  -5.542  -3.236
  424    HB2  TYR  18           HB3      TYR  18   0.617  -6.654  -2.970
  425    HB3  TYR  18           HB2      TYR  18   0.193  -7.153  -1.337
  426    HD1  TYR  18           HD1      TYR  18  -0.913  -9.186  -0.963
  427    HD2  TYR  18           HD2      TYR  18  -0.751  -7.597  -4.904
  428    HE1  TYR  18           HE1      TYR  18  -1.839 -11.284  -1.841
  429    HE2  TYR  18           HE2      TYR  18  -1.680  -9.693  -5.791
  430    HH   TYR  18           HH       TYR  18  -1.847 -12.041  -5.161
  431    H    HIS  19           H        HIS  19  -1.358  -6.256   0.257
  432    HA   HIS  19           HA       HIS  19  -3.841  -7.662   0.280
  433    HB2  HIS  19           HB3      HIS  19  -2.231  -6.441   2.532
  434    HB3  HIS  19           HB2      HIS  19  -3.664  -7.435   2.771
  435    HD1  HIS  19           HD1      HIS  19  -0.310  -7.837   3.217
  436    HD2  HIS  19           HD2      HIS  19  -3.047  -9.973   0.933
  437    HE1  HIS  19           HE1      HIS  19   0.719 -10.108   2.876
  438    HE2  HIS  19           HE2      HIS  19  -1.016 -11.422   1.606
  439    H    LEU  20           H        LEU  20  -2.881  -4.337   0.863
  440    HA   LEU  20           HA       LEU  20  -5.303  -3.442   1.958
  441    HB2  LEU  20           HB3      LEU  20  -3.135  -2.270   2.102
  442    HB3  LEU  20           HB2      LEU  20  -3.229  -1.925   0.387
  443    HG   LEU  20           HG       LEU  20  -5.223  -0.575   0.764
  444   HD11  LEU  20          HD11      LEU  20  -4.729  -1.188   3.673
  445   HD12  LEU  20          HD12      LEU  20  -6.132  -1.667   2.719
  446   HD13  LEU  20          HD13      LEU  20  -5.847   0.036   3.073
  447   HD21  LEU  20          HD21      LEU  20  -2.888   0.180   2.509
  448   HD22  LEU  20          HD22      LEU  20  -4.111   1.285   1.886
  449   HD23  LEU  20          HD23      LEU  20  -3.018   0.464   0.774
  450    H    GLU  21           H        GLU  21  -4.142  -3.785  -1.366
  451    HA   GLU  21           HA       GLU  21  -6.336  -2.497  -2.615
  452    HB2  GLU  21           HB3      GLU  21  -4.191  -3.094  -3.757
  453    HB3  GLU  21           HB2      GLU  21  -4.689  -4.779  -3.725
  454    HG2  GLU  21           HG3      GLU  21  -6.620  -4.251  -5.111
  455    HG3  GLU  21           HG2      GLU  21  -6.159  -2.550  -5.117
  456    H    ASN  22           H        ASN  22  -5.878  -5.707  -1.318
  457    HA   ASN  22           HA       ASN  22  -8.192  -6.906  -2.409
  458    HB2  ASN  22           HB3      ASN  22  -6.528  -7.486   0.025
  459    HB3  ASN  22           HB2      ASN  22  -8.017  -8.372  -0.273
  460   HD21  ASN  22          HD21      ASN  22  -5.901  -7.254  -2.828
  461   HD22  ASN  22          HD22      ASN  22  -5.357  -8.818  -3.314
  462    H    GLU  23           H        GLU  23  -7.672  -4.661   0.162
  463    HA   GLU  23           HA       GLU  23 -10.234  -5.030   1.409
  464    HB2  GLU  23           HB3      GLU  23  -7.998  -3.064   1.727
  465    HB3  GLU  23           HB2      GLU  23  -9.602  -2.656   2.370
  466    HG2  GLU  23           HG3      GLU  23  -8.374  -3.597   4.148
  467    HG3  GLU  23           HG2      GLU  23  -9.523  -4.827   3.632
  468    H    VAL  24           H        VAL  24  -8.889  -2.926  -1.064
  469    HA   VAL  24           HA       VAL  24 -11.146  -1.200  -1.205
  470    HB   VAL  24           HB       VAL  24  -9.205  -1.755  -3.455
  471   HG11  VAL  24          HG11      VAL  24 -11.191  -0.486  -4.092
  472   HG12  VAL  24          HG12      VAL  24  -9.749   0.524  -4.157
  473   HG13  VAL  24          HG13      VAL  24 -10.874   0.681  -2.806
  474   HG21  VAL  24          HG21      VAL  24  -7.855   0.091  -2.618
  475   HG22  VAL  24          HG22      VAL  24  -7.957  -1.203  -1.425
  476   HG23  VAL  24          HG23      VAL  24  -8.925   0.257  -1.227
  477    H    ALA  25           H        ALA  25 -10.184  -4.168  -2.800
  478    HA   ALA  25           HA       ALA  25 -12.125  -4.129  -4.849
  479    HB1  ALA  25           HB1      ALA  25 -10.066  -5.509  -4.863
  480    HB2  ALA  25           HB2      ALA  25 -11.530  -6.404  -5.266
  481    HB3  ALA  25           HB3      ALA  25 -10.815  -6.562  -3.663
  482    H    ARG  26           H        ARG  26 -12.179  -5.517  -1.589
  483    HA   ARG  26           HA       ARG  26 -14.579  -6.957  -1.942
  484    HB2  ARG  26           HB3      ARG  26 -14.624  -6.932   0.590
  485    HB3  ARG  26           HB2      ARG  26 -13.226  -7.672  -0.161
  486    HG2  ARG  26           HG3      ARG  26 -11.990  -5.545   0.233
  487    HG3  ARG  26           HG2      ARG  26 -13.378  -4.955   1.150
  488    HD2  ARG  26           HD2      ARG  26 -11.707  -7.392   1.759
  489    HD3  ARG  26           HD1      ARG  26 -11.712  -5.872   2.650
  490    HE   ARG  26           HE       ARG  26 -14.295  -6.688   2.769
  491   HH11  ARG  26          HH11      ARG  26 -11.249  -8.224   3.552
  492   HH12  ARG  26          HH12      ARG  26 -11.927  -9.218   4.801
  493   HH21  ARG  26          HH21      ARG  26 -15.186  -7.990   4.407
  494   HH22  ARG  26          HH22      ARG  26 -14.164  -9.072   5.299
  495    H    LEU  27           H        LEU  27 -13.903  -3.752  -0.605
  496    HA   LEU  27           HA       LEU  27 -16.595  -3.145   0.017
  497    HB2  LEU  27           HB3      LEU  27 -14.308  -1.286  -0.585
  498    HB3  LEU  27           HB2      LEU  27 -15.847  -0.825   0.105
  499    HG   LEU  27           HG       LEU  27 -14.137  -2.839   1.469
  500   HD11  LEU  27          HD11      LEU  27 -13.133  -1.067   2.759
  501   HD12  LEU  27          HD12      LEU  27 -14.001   0.137   1.804
  502   HD13  LEU  27          HD13      LEU  27 -12.768  -0.870   1.044
  503   HD21  LEU  27          HD21      LEU  27 -15.338  -1.903   3.441
  504   HD22  LEU  27          HD22      LEU  27 -16.394  -2.677   2.260
  505   HD23  LEU  27          HD23      LEU  27 -16.285  -0.917   2.323
  506    H    LYS  28           H        LYS  28 -14.611  -2.516  -2.840
  507    HA   LYS  28           HA       LYS  28 -16.283  -0.896  -4.282
  508    HB2  LYS  28           HB3      LYS  28 -14.019  -1.679  -4.998
  509    HB3  LYS  28           HB2      LYS  28 -14.747  -3.211  -5.463
  510    HG2  LYS  28           HG3      LYS  28 -14.538  -1.922  -7.433
  511    HG3  LYS  28           HG2      LYS  28 -16.250  -1.920  -7.001
  512    HD2  LYS  28           HD3      LYS  28 -15.810   0.292  -5.840
  513    HD3  LYS  28           HD2      LYS  28 -14.237   0.290  -6.637
  514    HE2  LYS  28           HE3      LYS  28 -16.963   0.357  -7.915
  515    HE3  LYS  28           HE2      LYS  28 -15.708   1.593  -7.979
  516    HZ1  LYS  28           HZ1      LYS  28 -14.320  -0.089  -9.182
  517    HZ2  LYS  28           HZ2      LYS  28 -15.678   0.452 -10.031
  518    HZ3  LYS  28           HZ3      LYS  28 -15.702  -1.068  -9.289
  519    H    LYS  29           H        LYS  29 -16.382  -4.467  -4.245
  520    HA   LYS  29           HA       LYS  29 -18.674  -4.557  -5.934
  521    HB2  LYS  29           HB3      LYS  29 -18.688  -6.966  -5.408
  522    HB3  LYS  29           HB2      LYS  29 -17.130  -6.384  -5.962
  523    HG2  LYS  29           HG3      LYS  29 -16.423  -6.268  -3.559
  524    HG3  LYS  29           HG2      LYS  29 -17.933  -7.080  -3.148
  525    HD2  LYS  29           HD3      LYS  29 -15.836  -8.179  -5.017
  526    HD3  LYS  29           HD2      LYS  29 -16.005  -8.626  -3.321
  527    HE2  LYS  29           HE3      LYS  29 -18.135  -8.990  -5.422
  528    HE3  LYS  29           HE2      LYS  29 -17.035 -10.254  -4.882
  529    HZ1  LYS  29           HZ1      LYS  29 -19.150 -10.428  -3.764
  530    HZ2  LYS  29           HZ2      LYS  29 -19.030  -8.840  -3.196
  531    HZ3  LYS  29           HZ3      LYS  29 -17.950 -10.016  -2.645
  532    H    LEU  30           H        LEU  30 -18.224  -4.227  -2.531
  533    HA   LEU  30           HA       LEU  30 -20.863  -4.955  -1.735
  534    HB2  LEU  30           HB3      LEU  30 -18.669  -3.336  -0.504
  535    HB3  LEU  30           HB2      LEU  30 -20.264  -3.350   0.224
  536    HG   LEU  30           HG       LEU  30 -18.602  -5.822  -0.268
  537   HD11  LEU  30          HD11      LEU  30 -18.995  -4.192   2.236
  538   HD12  LEU  30          HD12      LEU  30 -17.487  -4.428   1.353
  539   HD13  LEU  30          HD13      LEU  30 -18.249  -5.787   2.175
  540   HD21  LEU  30          HD21      LEU  30 -21.009  -6.232  -0.182
  541   HD22  LEU  30          HD22      LEU  30 -21.106  -5.371   1.353
  542   HD23  LEU  30          HD23      LEU  30 -20.201  -6.881   1.244
  543    H    VAL  31           H        VAL  31 -19.381  -2.055  -3.004
  544    HA   VAL  31           HA       VAL  31 -21.755  -0.468  -2.501
  545    HB   VAL  31           HB       VAL  31 -19.342   0.347  -4.130
  546   HG11  VAL  31          HG11      VAL  31 -21.389   1.725  -4.365
  547   HG12  VAL  31          HG12      VAL  31 -20.035   2.601  -3.656
  548   HG13  VAL  31          HG13      VAL  31 -21.348   2.027  -2.627
  549   HG21  VAL  31          HG21      VAL  31 -19.815   0.697  -1.173
  550   HG22  VAL  31          HG22      VAL  31 -18.479   1.387  -2.097
  551   HG23  VAL  31          HG23      VAL  31 -18.614  -0.363  -1.914
  552    H    GLY  32           H        GLY  32 -20.328  -2.273  -5.148
  553    HA2  GLY  32           HA3      GLY  32 -22.602  -2.659  -6.574
  554    HA3  GLY  32           HA2      GLY  32 -22.063  -1.087  -7.130
  555    H    GLU  33           H        GLU  33 -19.288  -2.716  -6.424
  556    HA   GLU  33           HA       GLU  33 -17.718  -3.859  -7.578
  557    HB2  GLU  33           HB3      GLU  33 -19.384  -5.595  -7.974
  558    HB3  GLU  33           HB2      GLU  33 -20.002  -4.711  -9.364
  559    HG2  GLU  33           HG3      GLU  33 -17.855  -4.997 -10.496
  560    HG3  GLU  33           HG2      GLU  33 -17.247  -5.893  -9.106
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  24.908   5.832  -3.010
    2    H2   GLY   1           H2       GLY   1  25.540   5.365  -4.505
    3    H3   GLY   1           H3       GLY   1  26.482   5.227  -3.107
    4    HA2  GLY   1           HA2      GLY   1  25.645   3.067  -3.785
    5    HA3  GLY   1           HA3      GLY   1  25.008   3.551  -2.221
    6    H    SER   2           H        SER   2  23.618   1.643  -3.414
    7    HA   SER   2           HA       SER   2  21.486   2.881  -4.975
    8    HB2  SER   2           HB3      SER   2  21.971  -0.021  -4.263
    9    HB3  SER   2           HB2      SER   2  20.694   0.569  -5.327
   10    HG   SER   2           HG       SER   2  23.245   1.428  -5.957
   11    H    MET   3           H        MET   3  22.181   2.343  -1.766
   12    HA   MET   3           HA       MET   3  19.705   1.477  -0.734
   13    HB2  MET   3           HB3      MET   3  21.781   1.481   0.593
   14    HB3  MET   3           HB2      MET   3  21.804   3.238   0.556
   15    HG2  MET   3           HG3      MET   3  19.696   3.284   1.803
   16    HG3  MET   3           HG2      MET   3  19.707   1.522   1.864
   17    HE1  MET   3           HE1      MET   3  19.436   1.669   4.523
   18    HE2  MET   3           HE2      MET   3  19.455   3.429   4.428
   19    HE3  MET   3           HE3      MET   3  20.520   2.596   5.560
   20    H    LYS   4           H        LYS   4  20.988   4.674  -1.487
   21    HA   LYS   4           HA       LYS   4  18.855   6.195  -0.460
   22    HB2  LYS   4           HB3      LYS   4  21.014   7.188  -1.049
   23    HB3  LYS   4           HB2      LYS   4  20.744   6.811  -2.742
   24    HG2  LYS   4           HG3      LYS   4  20.331   9.163  -2.278
   25    HG3  LYS   4           HG2      LYS   4  18.860   8.347  -2.803
   26    HD2  LYS   4           HD3      LYS   4  18.359   9.826  -0.959
   27    HD3  LYS   4           HD2      LYS   4  18.158   8.153  -0.444
   28    HE2  LYS   4           HE3      LYS   4  19.286   9.442   1.276
   29    HE3  LYS   4           HE2      LYS   4  20.373   8.225   0.611
   30    HZ1  LYS   4           HZ1      LYS   4  21.414   9.925  -0.734
   31    HZ2  LYS   4           HZ2      LYS   4  21.466  10.366   0.896
   32    HZ3  LYS   4           HZ3      LYS   4  20.349  11.097  -0.142
   33    H    GLN   5           H        GLN   5  19.354   4.586  -3.534
   34    HA   GLN   5           HA       GLN   5  17.117   5.699  -4.865
   35    HB2  GLN   5           HB3      GLN   5  18.489   3.042  -5.326
   36    HB3  GLN   5           HB2      GLN   5  17.370   3.821  -6.437
   37    HG2  GLN   5           HG3      GLN   5  20.057   4.875  -5.589
   38    HG3  GLN   5           HG2      GLN   5  19.663   4.149  -7.145
   39   HE21  GLN   5          HE21      GLN   5  20.698   6.806  -6.497
   40   HE22  GLN   5          HE22      GLN   5  19.577   7.931  -7.178
   41    H    LEU   6           H        LEU   6  17.612   2.761  -2.964
   42    HA   LEU   6           HA       LEU   6  14.999   1.744  -3.221
   43    HB2  LEU   6           HB3      LEU   6  17.318   1.244  -1.462
   44    HB3  LEU   6           HB2      LEU   6  15.757   0.760  -0.831
   45    HG   LEU   6           HG       LEU   6  16.894  -1.103  -1.931
   46   HD11  LEU   6          HD11      LEU   6  14.443  -0.998  -1.938
   47   HD12  LEU   6          HD12      LEU   6  15.080  -1.825  -3.358
   48   HD13  LEU   6          HD13      LEU   6  14.493  -0.168  -3.494
   49   HD21  LEU   6          HD21      LEU   6  16.729   0.583  -4.425
   50   HD22  LEU   6          HD22      LEU   6  17.243  -1.102  -4.350
   51   HD23  LEU   6          HD23      LEU   6  18.203   0.149  -3.560
   52    H    GLU   7           H        GLU   7  16.339   4.226  -1.172
   53    HA   GLU   7           HA       GLU   7  14.281   4.386   0.737
   54    HB2  GLU   7           HB3      GLU   7  15.953   6.622  -0.431
   55    HB3  GLU   7           HB2      GLU   7  14.962   6.752   1.013
   56    HG2  GLU   7           HG3      GLU   7  17.356   4.963   0.658
   57    HG3  GLU   7           HG2      GLU   7  17.299   6.466   1.576
   58    H    ASP   8           H        ASP   8  14.545   5.555  -2.554
   59    HA   ASP   8           HA       ASP   8  12.152   7.117  -2.488
   60    HB2  ASP   8           HB3      ASP   8  13.777   6.017  -4.787
   61    HB3  ASP   8           HB2      ASP   8  12.348   7.021  -5.005
   62    H    LYS   9           H        LYS   9  12.977   3.821  -3.370
   63    HA   LYS   9           HA       LYS   9  10.528   3.059  -4.512
   64    HB2  LYS   9           HB3      LYS   9  12.768   1.562  -3.205
   65    HB3  LYS   9           HB2      LYS   9  11.275   0.717  -3.570
   66    HG2  LYS   9           HG3      LYS   9  12.860   0.351  -5.332
   67    HG3  LYS   9           HG2      LYS   9  11.532   1.337  -5.940
   68    HD2  LYS   9           HD3      LYS   9  12.857   3.306  -5.881
   69    HD3  LYS   9           HD2      LYS   9  14.128   2.501  -4.961
   70    HE2  LYS   9           HE3      LYS   9  14.761   2.761  -7.303
   71    HE3  LYS   9           HE2      LYS   9  14.610   1.061  -6.867
   72    HZ1  LYS   9           HZ1      LYS   9  12.541   2.644  -8.289
   73    HZ2  LYS   9           HZ2      LYS   9  12.458   0.998  -7.924
   74    HZ3  LYS   9           HZ3      LYS   9  13.610   1.563  -9.021
   75    H    VAL  10           H        VAL  10  11.724   2.615  -1.182
   76    HA   VAL  10           HA       VAL  10   9.374   1.384  -0.252
   77    HB   VAL  10           HB       VAL  10  11.519   1.161   0.918
   78   HG11  VAL  10          HG11      VAL  10  11.097   4.022   1.766
   79   HG12  VAL  10          HG12      VAL  10  12.364   3.424   0.696
   80   HG13  VAL  10          HG13      VAL  10  12.339   2.935   2.390
   81   HG21  VAL  10          HG21      VAL  10   9.486   0.644   2.123
   82   HG22  VAL  10          HG22      VAL  10   9.314   2.329   2.609
   83   HG23  VAL  10          HG23      VAL  10  10.664   1.371   3.215
   84    H    GLU  11           H        GLU  11  10.349   4.788  -0.334
   85    HA   GLU  11           HA       GLU  11   8.100   5.680   1.193
   86    HB2  GLU  11           HB3      GLU  11  10.020   7.157  -0.603
   87    HB3  GLU  11           HB2      GLU  11   8.745   7.947   0.315
   88    HG2  GLU  11           HG3      GLU  11   9.728   7.111   2.389
   89    HG3  GLU  11           HG2      GLU  11  11.013   6.338   1.465
   90    H    GLU  12           H        GLU  12   8.785   5.278  -2.233
   91    HA   GLU  12           HA       GLU  12   6.517   6.549  -3.267
   92    HB2  GLU  12           HB3      GLU  12   8.383   5.775  -4.668
   93    HB3  GLU  12           HB2      GLU  12   7.931   4.106  -4.350
   94    HG2  GLU  12           HG3      GLU  12   5.800   4.460  -5.468
   95    HG3  GLU  12           HG2      GLU  12   6.231   6.142  -5.770
   96    H    LEU  13           H        LEU  13   6.934   3.049  -2.604
   97    HA   LEU  13           HA       LEU  13   4.162   2.556  -2.943
   98    HB2  LEU  13           HB3      LEU  13   6.343   0.850  -1.770
   99    HB3  LEU  13           HB2      LEU  13   4.668   0.335  -1.817
  100    HG   LEU  13           HG       LEU  13   4.802   0.856  -4.343
  101   HD11  LEU  13          HD11      LEU  13   6.952   1.988  -4.319
  102   HD12  LEU  13          HD12      LEU  13   7.009   0.544  -5.330
  103   HD13  LEU  13          HD13      LEU  13   7.730   0.523  -3.721
  104   HD21  LEU  13          HD21      LEU  13   5.710  -1.413  -4.775
  105   HD22  LEU  13          HD22      LEU  13   4.475  -1.361  -3.518
  106   HD23  LEU  13          HD23      LEU  13   6.177  -1.502  -3.077
  107    H    LEU  14           H        LEU  14   6.043   3.465  -0.121
  108    HA   LEU  14           HA       LEU  14   4.111   2.995   1.832
  109    HB2  LEU  14           HB3      LEU  14   6.382   3.736   2.351
  110    HB3  LEU  14           HB2      LEU  14   6.092   5.274   1.582
  111    HG   LEU  14           HG       LEU  14   6.116   5.249   4.098
  112   HD11  LEU  14          HD11      LEU  14   5.208   7.114   2.846
  113   HD12  LEU  14          HD12      LEU  14   4.287   6.833   4.324
  114   HD13  LEU  14          HD13      LEU  14   3.640   6.312   2.768
  115   HD21  LEU  14          HD21      LEU  14   4.846   3.183   4.423
  116   HD22  LEU  14          HD22      LEU  14   3.416   3.967   3.751
  117   HD23  LEU  14          HD23      LEU  14   4.111   4.548   5.262
  118    H    SER  15           H        SER  15   4.520   5.662  -0.426
  119    HA   SER  15           HA       SER  15   2.214   7.101   0.380
  120    HB2  SER  15           HB3      SER  15   3.583   7.128  -2.322
  121    HB3  SER  15           HB2      SER  15   2.554   8.389  -1.643
  122    HG   SER  15           HG       SER  15   5.134   7.576  -0.782
  123    H    LYS  16           H        LYS  16   2.849   4.520  -1.920
  124    HA   LYS  16           HA       LYS  16   0.389   4.542  -3.268
  125    HB2  LYS  16           HB3      LYS  16   2.406   3.301  -4.004
  126    HB3  LYS  16           HB2      LYS  16   2.163   2.166  -2.687
  127    HG2  LYS  16           HG3      LYS  16   0.144   1.360  -3.646
  128    HG3  LYS  16           HG2      LYS  16   0.133   2.650  -4.852
  129    HD2  LYS  16           HD3      LYS  16   2.156   1.748  -5.863
  130    HD3  LYS  16           HD2      LYS  16   2.232   0.491  -4.626
  131    HE2  LYS  16           HE3      LYS  16   0.179  -0.476  -5.411
  132    HE3  LYS  16           HE2      LYS  16  -0.062   0.849  -6.547
  133    HZ1  LYS  16           HZ1      LYS  16   0.809  -1.168  -7.600
  134    HZ2  LYS  16           HZ2      LYS  16   2.201  -1.074  -6.645
  135    HZ3  LYS  16           HZ3      LYS  16   1.864   0.142  -7.771
  136    H    ASN  17           H        ASN  17   1.408   2.510  -0.470
  137    HA   ASN  17           HA       ASN  17  -1.187   1.406  -0.138
  138    HB2  ASN  17           HB3      ASN  17  -0.422   0.488   1.957
  139    HB3  ASN  17           HB2      ASN  17   0.862   0.319   0.768
  140   HD21  ASN  17          HD21      ASN  17  -0.194   2.032   3.623
  141   HD22  ASN  17          HD22      ASN  17   1.358   2.654   4.055
  142    H    TYR  18           H        TYR  18   0.309   4.338   0.940
  143    HA   TYR  18           HA       TYR  18  -1.501   5.035   2.985
  144    HB2  TYR  18           HB3      TYR  18   0.629   6.213   2.626
  145    HB3  TYR  18           HB2      TYR  18   0.038   6.825   1.087
  146    HD1  TYR  18           HD1      TYR  18  -0.567   6.942   4.747
  147    HD2  TYR  18           HD2      TYR  18  -1.182   8.828   0.985
  148    HE1  TYR  18           HE1      TYR  18  -1.454   8.926   5.893
  149    HE2  TYR  18           HE2      TYR  18  -2.073  10.817   2.121
  150    HH   TYR  18           HH       TYR  18  -3.126  11.387   4.276
  151    H    HIS  19           H        HIS  19  -1.442   5.871  -0.472
  152    HA   HIS  19           HA       HIS  19  -3.948   7.204  -0.444
  153    HB2  HIS  19           HB3      HIS  19  -2.351   6.009  -2.716
  154    HB3  HIS  19           HB2      HIS  19  -3.831   6.933  -2.948
  155    HD1  HIS  19           HD1      HIS  19  -0.352   7.401  -3.127
  156    HD2  HIS  19           HD2      HIS  19  -3.464   9.605  -1.473
  157    HE1  HIS  19           HE1      HIS  19   0.528   9.741  -2.894
  158    HE2  HIS  19           HE2      HIS  19  -1.414  11.083  -2.012
  159    H    LEU  20           H        LEU  20  -2.974   3.886  -0.983
  160    HA   LEU  20           HA       LEU  20  -5.478   2.907  -1.856
  161    HB2  LEU  20           HB3      LEU  20  -2.916   1.819  -1.027
  162    HB3  LEU  20           HB2      LEU  20  -4.251   0.835  -0.477
  163    HG   LEU  20           HG       LEU  20  -3.334   0.072  -2.637
  164   HD11  LEU  20          HD11      LEU  20  -6.139   1.154  -2.804
  165   HD12  LEU  20          HD12      LEU  20  -5.660  -0.384  -2.086
  166   HD13  LEU  20          HD13      LEU  20  -5.459  -0.117  -3.819
  167   HD21  LEU  20          HD21      LEU  20  -4.337   2.717  -3.675
  168   HD22  LEU  20          HD22      LEU  20  -3.718   1.388  -4.654
  169   HD23  LEU  20          HD23      LEU  20  -2.646   2.234  -3.536
  170    H    GLU  21           H        GLU  21  -4.036   3.314   1.348
  171    HA   GLU  21           HA       GLU  21  -6.096   2.111   2.842
  172    HB2  GLU  21           HB3      GLU  21  -3.794   2.820   3.657
  173    HB3  GLU  21           HB2      GLU  21  -4.407   4.464   3.715
  174    HG2  GLU  21           HG3      GLU  21  -5.757   2.250   5.208
  175    HG3  GLU  21           HG2      GLU  21  -4.360   3.088   5.877
  176    H    ASN  22           H        ASN  22  -5.583   5.425   1.745
  177    HA   ASN  22           HA       ASN  22  -7.915   6.563   2.822
  178    HB2  ASN  22           HB3      ASN  22  -6.439   7.321   0.291
  179    HB3  ASN  22           HB2      ASN  22  -7.633   8.321   1.109
  180   HD21  ASN  22          HD21      ASN  22  -6.667   7.558   3.777
  181   HD22  ASN  22          HD22      ASN  22  -5.185   8.420   3.997
  182    H    GLU  23           H        GLU  23  -7.361   4.542   0.092
  183    HA   GLU  23           HA       GLU  23  -9.750   5.200  -1.337
  184    HB2  GLU  23           HB3      GLU  23  -7.600   4.341  -2.354
  185    HB3  GLU  23           HB2      GLU  23  -7.998   2.754  -1.662
  186    HG2  GLU  23           HG3      GLU  23  -8.634   2.771  -3.957
  187    HG3  GLU  23           HG2      GLU  23 -10.099   2.780  -2.978
  188    H    VAL  24           H        VAL  24  -8.743   2.647   0.901
  189    HA   VAL  24           HA       VAL  24 -11.158   1.149   0.681
  190    HB   VAL  24           HB       VAL  24  -9.237   1.199   3.028
  191   HG11  VAL  24          HG11      VAL  24 -10.132  -0.979   3.569
  192   HG12  VAL  24          HG12      VAL  24 -11.174  -0.949   2.148
  193   HG13  VAL  24          HG13      VAL  24 -11.456   0.182   3.475
  194   HG21  VAL  24          HG21      VAL  24  -8.081   0.673   0.942
  195   HG22  VAL  24          HG22      VAL  24  -9.253  -0.603   0.613
  196   HG23  VAL  24          HG23      VAL  24  -8.175  -0.731   2.003
  197    H    ALA  25           H        ALA  25 -10.044   3.750   2.774
  198    HA   ALA  25           HA       ALA  25 -12.102   3.590   4.688
  199    HB1  ALA  25           HB1      ALA  25  -9.964   4.788   5.014
  200    HB2  ALA  25           HB2      ALA  25 -11.380   5.743   5.450
  201    HB3  ALA  25           HB3      ALA  25 -10.547   6.050   3.928
  202    H    ARG  26           H        ARG  26 -11.889   5.409   1.653
  203    HA   ARG  26           HA       ARG  26 -14.258   6.887   2.073
  204    HB2  ARG  26           HB3      ARG  26 -14.178   7.114  -0.479
  205    HB3  ARG  26           HB2      ARG  26 -12.877   7.819   0.459
  206    HG2  ARG  26           HG3      ARG  26 -11.482   5.872  -0.066
  207    HG3  ARG  26           HG2      ARG  26 -12.789   5.207  -1.050
  208    HD2  ARG  26           HD2      ARG  26 -11.512   7.899  -1.511
  209    HD3  ARG  26           HD1      ARG  26 -11.031   6.421  -2.340
  210    HE   ARG  26           HE       ARG  26 -13.800   6.801  -2.649
  211   HH11  ARG  26          HH11      ARG  26 -10.766   8.213  -3.668
  212   HH12  ARG  26          HH12      ARG  26 -11.386   8.754  -5.195
  213   HH21  ARG  26          HH21      ARG  26 -14.621   7.507  -4.661
  214   HH22  ARG  26          HH22      ARG  26 -13.582   8.359  -5.757
  215    H    LEU  27           H        LEU  27 -13.624   3.813   0.427
  216    HA   LEU  27           HA       LEU  27 -16.276   3.397  -0.438
  217    HB2  LEU  27           HB3      LEU  27 -13.947   1.593   0.028
  218    HB3  LEU  27           HB2      LEU  27 -15.531   0.891  -0.203
  219    HG   LEU  27           HG       LEU  27 -15.723   1.941  -2.389
  220   HD11  LEU  27          HD11      LEU  27 -14.419   3.955  -1.981
  221   HD12  LEU  27          HD12      LEU  27 -13.824   3.094  -3.402
  222   HD13  LEU  27          HD13      LEU  27 -12.947   2.990  -1.875
  223   HD21  LEU  27          HD21      LEU  27 -13.172   0.409  -1.973
  224   HD22  LEU  27          HD22      LEU  27 -13.952   0.676  -3.531
  225   HD23  LEU  27          HD23      LEU  27 -14.774  -0.260  -2.285
  226    H    LYS  28           H        LYS  28 -14.674   2.751   2.625
  227    HA   LYS  28           HA       LYS  28 -16.597   1.197   3.880
  228    HB2  LYS  28           HB3      LYS  28 -14.829   3.369   4.998
  229    HB3  LYS  28           HB2      LYS  28 -15.856   2.363   6.009
  230    HG2  LYS  28           HG3      LYS  28 -13.673   1.338   4.206
  231    HG3  LYS  28           HG2      LYS  28 -13.523   1.597   5.944
  232    HD2  LYS  28           HD3      LYS  28 -15.391  -0.007   6.286
  233    HD3  LYS  28           HD2      LYS  28 -15.379  -0.331   4.553
  234    HE2  LYS  28           HE3      LYS  28 -14.133  -2.045   5.713
  235    HE3  LYS  28           HE2      LYS  28 -13.038  -1.074   4.731
  236    HZ1  LYS  28           HZ1      LYS  28 -12.138  -1.527   6.932
  237    HZ2  LYS  28           HZ2      LYS  28 -13.456  -0.751   7.652
  238    HZ3  LYS  28           HZ3      LYS  28 -12.373   0.130   6.700
  239    H    LYS  29           H        LYS  29 -16.560   4.687   3.349
  240    HA   LYS  29           HA       LYS  29 -18.906   5.178   4.879
  241    HB2  LYS  29           HB3      LYS  29 -17.419   6.978   4.599
  242    HB3  LYS  29           HB2      LYS  29 -17.394   6.809   2.852
  243    HG2  LYS  29           HG3      LYS  29 -19.706   7.585   2.750
  244    HG3  LYS  29           HG2      LYS  29 -19.739   7.734   4.507
  245    HD2  LYS  29           HD3      LYS  29 -17.944   9.397   4.395
  246    HD3  LYS  29           HD2      LYS  29 -17.918   9.248   2.637
  247    HE2  LYS  29           HE3      LYS  29 -20.207  10.057   2.515
  248    HE3  LYS  29           HE2      LYS  29 -20.289  10.145   4.272
  249    HZ1  LYS  29           HZ1      LYS  29 -18.547  11.814   4.234
  250    HZ2  LYS  29           HZ2      LYS  29 -19.869  12.307   3.303
  251    HZ3  LYS  29           HZ3      LYS  29 -18.470  11.733   2.545
  252    H    LEU  30           H        LEU  30 -18.289   4.322   1.557
  253    HA   LEU  30           HA       LEU  30 -20.955   4.827   0.662
  254    HB2  LEU  30           HB3      LEU  30 -18.826   3.026  -0.480
  255    HB3  LEU  30           HB2      LEU  30 -20.334   3.434  -1.268
  256    HG   LEU  30           HG       LEU  30 -18.130   5.378  -0.585
  257   HD11  LEU  30          HD11      LEU  30 -17.849   5.515  -3.022
  258   HD12  LEU  30          HD12      LEU  30 -19.036   4.227  -3.219
  259   HD13  LEU  30          HD13      LEU  30 -17.508   3.902  -2.399
  260   HD21  LEU  30          HD21      LEU  30 -19.443   6.977  -1.915
  261   HD22  LEU  30          HD22      LEU  30 -20.304   6.451  -0.470
  262   HD23  LEU  30          HD23      LEU  30 -20.738   5.788  -2.044
  263    H    VAL  31           H        VAL  31 -19.250   2.129   2.092
  264    HA   VAL  31           HA       VAL  31 -21.371   0.255   1.660
  265    HB   VAL  31           HB       VAL  31 -18.990   0.053   3.526
  266   HG11  VAL  31          HG11      VAL  31 -19.428  -2.344   3.526
  267   HG12  VAL  31          HG12      VAL  31 -20.858  -2.094   2.526
  268   HG13  VAL  31          HG13      VAL  31 -20.810  -1.456   4.169
  269   HG21  VAL  31          HG21      VAL  31 -18.036  -1.369   1.760
  270   HG22  VAL  31          HG22      VAL  31 -18.294   0.291   1.224
  271   HG23  VAL  31          HG23      VAL  31 -19.411  -0.978   0.726
  272    H    GLY  32           H        GLY  32 -20.495   2.488   4.258
  273    HA2  GLY  32           HA3      GLY  32 -23.091   2.360   5.359
  274    HA3  GLY  32           HA2      GLY  32 -22.022   1.345   6.305
  275    H    GLU  33           H        GLU  33 -20.878   4.311   4.788
  276    HA   GLU  33           HA       GLU  33 -20.173   6.286   5.634
  277    HB2  GLU  33           HB3      GLU  33 -22.492   5.840   7.511
  278    HB3  GLU  33           HB2      GLU  33 -21.633   7.363   7.330
  279    HG2  GLU  33           HG3      GLU  33 -22.320   7.511   5.015
  280    HG3  GLU  33           HG2      GLU  33 -23.110   5.940   5.128
  281    H1   GLY   1           H1       GLY   1  24.926  -6.049   2.315
  282    H2   GLY   1           H2       GLY   1  25.576  -5.571   3.798
  283    H3   GLY   1           H3       GLY   1  26.504  -5.451   2.391
  284    HA2  GLY   1           HA2      GLY   1  25.679  -3.285   3.063
  285    HA3  GLY   1           HA3      GLY   1  25.038  -3.778   1.503
  286    H    SER   2           H        SER   2  23.656  -1.860   2.705
  287    HA   SER   2           HA       SER   2  21.523  -3.089   4.273
  288    HB2  SER   2           HB3      SER   2  22.034  -0.191   3.563
  289    HB3  SER   2           HB2      SER   2  20.737  -0.768   4.611
  290    HG   SER   2           HG       SER   2  23.312  -1.619   5.234
  291    H    MET   3           H        MET   3  22.210  -2.543   1.062
  292    HA   MET   3           HA       MET   3  19.730  -1.690   0.037
  293    HB2  MET   3           HB3      MET   3  21.803  -1.712  -1.297
  294    HB3  MET   3           HB2      MET   3  21.811  -3.469  -1.252
  295    HG2  MET   3           HG3      MET   3  19.701  -3.505  -2.493
  296    HG3  MET   3           HG2      MET   3  19.718  -1.744  -2.556
  297    HE1  MET   3           HE1      MET   3  19.435  -1.902  -5.220
  298    HE2  MET   3           HE2      MET   3  19.451  -3.662  -5.110
  299    HE3  MET   3           HE3      MET   3  20.514  -2.840  -6.252
  300    H    LYS   4           H        LYS   4  21.013  -4.895   0.786
  301    HA   LYS   4           HA       LYS   4  18.863  -6.407  -0.212
  302    HB2  LYS   4           HB3      LYS   4  21.019  -7.411   0.373
  303    HB3  LYS   4           HB2      LYS   4  20.755  -7.025   2.066
  304    HG2  LYS   4           HG3      LYS   4  20.321  -9.375   1.616
  305    HG3  LYS   4           HG2      LYS   4  18.855  -8.547   2.134
  306    HD2  LYS   4           HD3      LYS   4  18.350 -10.034   0.295
  307    HD3  LYS   4           HD2      LYS   4  18.159  -8.363  -0.226
  308    HE2  LYS   4           HE3      LYS   4  19.285  -9.661  -1.938
  309    HE3  LYS   4           HE2      LYS   4  20.375  -8.448  -1.275
  310    HZ1  LYS   4           HZ1      LYS   4  21.401 -10.154   0.086
  311    HZ2  LYS   4           HZ2      LYS   4  21.461 -10.593  -1.544
  312    HZ3  LYS   4           HZ3      LYS   4  20.334 -11.319  -0.516
  313    H    GLN   5           H        GLN   5  19.382  -4.788   2.856
  314    HA   GLN   5           HA       GLN   5  17.147  -5.889   4.198
  315    HB2  GLN   5           HB3      GLN   5  18.523  -3.230   4.642
  316    HB3  GLN   5           HB2      GLN   5  17.410  -4.007   5.762
  317    HG2  GLN   5           HG3      GLN   5  20.095  -5.066   4.903
  318    HG3  GLN   5           HG2      GLN   5  19.711  -4.328   6.457
  319   HE21  GLN   5          HE21      GLN   5  20.736  -6.997   5.808
  320   HE22  GLN   5          HE22      GLN   5  19.619  -8.114   6.511
  321    H    LEU   6           H        LEU   6  17.642  -2.957   2.286
  322    HA   LEU   6           HA       LEU   6  15.032  -1.934   2.548
  323    HB2  LEU   6           HB3      LEU   6  17.343  -1.448   0.777
  324    HB3  LEU   6           HB2      LEU   6  15.781  -0.962   0.151
  325    HG   LEU   6           HG       LEU   6  16.930   0.902   1.239
  326   HD11  LEU   6          HD11      LEU   6  14.478   0.804   1.254
  327   HD12  LEU   6          HD12      LEU   6  15.122   1.637   2.668
  328   HD13  LEU   6          HD13      LEU   6  14.531  -0.018   2.815
  329   HD21  LEU   6          HD21      LEU   6  16.767  -0.771   3.742
  330   HD22  LEU   6          HD22      LEU   6  17.289   0.911   3.656
  331   HD23  LEU   6          HD23      LEU   6  18.240  -0.348   2.870
  332    H    GLU   7           H        GLU   7  16.354  -4.429   0.509
  333    HA   GLU   7           HA       GLU   7  14.291  -4.589  -1.395
  334    HB2  GLU   7           HB3      GLU   7  15.963  -6.825  -0.228
  335    HB3  GLU   7           HB2      GLU   7  14.963  -6.959  -1.665
  336    HG2  GLU   7           HG3      GLU   7  17.361  -5.174  -1.330
  337    HG3  GLU   7           HG2      GLU   7  17.299  -6.679  -2.244
  338    H    ASP   8           H        ASP   8  14.559  -5.740   1.902
  339    HA   ASP   8           HA       ASP   8  12.157  -7.297   1.844
  340    HB2  ASP   8           HB3      ASP   8  13.798  -6.200   4.133
  341    HB3  ASP   8           HB2      ASP   8  12.366  -7.199   4.361
  342    H    LYS   9           H        LYS   9  13.005  -4.005   2.721
  343    HA   LYS   9           HA       LYS   9  10.564  -3.223   3.866
  344    HB2  LYS   9           HB3      LYS   9  12.803  -1.741   2.539
  345    HB3  LYS   9           HB2      LYS   9  11.315  -0.890   2.911
  346    HG2  LYS   9           HG3      LYS   9  12.914  -0.523   4.662
  347    HG3  LYS   9           HG2      LYS   9  11.586  -1.502   5.280
  348    HD2  LYS   9           HD3      LYS   9  12.901  -3.476   5.224
  349    HD3  LYS   9           HD2      LYS   9  14.172  -2.680   4.294
  350    HE2  LYS   9           HE3      LYS   9  14.813  -2.930   6.635
  351    HE3  LYS   9           HE2      LYS   9  14.665  -1.232   6.191
  352    HZ1  LYS   9           HZ1      LYS   9  12.599  -2.810   7.624
  353    HZ2  LYS   9           HZ2      LYS   9  12.511  -1.164   7.247
  354    HZ3  LYS   9           HZ3      LYS   9  13.667  -1.717   8.347
  355    H    VAL  10           H        VAL  10  11.748  -2.799   0.528
  356    HA   VAL  10           HA       VAL  10   9.398  -1.567  -0.397
  357    HB   VAL  10           HB       VAL  10  11.536  -1.355  -1.578
  358   HG11  VAL  10          HG11      VAL  10  11.105  -4.218  -2.414
  359   HG12  VAL  10          HG12      VAL  10  12.377  -3.620  -1.348
  360   HG13  VAL  10          HG13      VAL  10  12.348  -3.137  -3.044
  361   HG21  VAL  10          HG21      VAL  10   9.498  -0.836  -2.772
  362   HG22  VAL  10          HG22      VAL  10   9.320  -2.524  -3.253
  363   HG23  VAL  10          HG23      VAL  10  10.668  -1.568  -3.869
  364    H    GLU  11           H        GLU  11  10.357  -4.973  -0.301
  365    HA   GLU  11           HA       GLU  11   8.100  -5.866  -1.817
  366    HB2  GLU  11           HB3      GLU  11  10.024  -7.340  -0.021
  367    HB3  GLU  11           HB2      GLU  11   8.744  -8.130  -0.934
  368    HG2  GLU  11           HG3      GLU  11   9.720  -7.307  -3.009
  369    HG3  GLU  11           HG2      GLU  11  11.009  -6.528  -2.095
  370    H    GLU  12           H        GLU  12   8.808  -5.464   1.606
  371    HA   GLU  12           HA       GLU  12   6.537  -6.710   2.653
  372    HB2  GLU  12           HB3      GLU  12   8.412  -5.933   4.046
  373    HB3  GLU  12           HB2      GLU  12   7.959  -4.265   3.720
  374    HG2  GLU  12           HG3      GLU  12   5.835  -4.604   4.855
  375    HG3  GLU  12           HG2      GLU  12   6.254  -6.290   5.153
  376    H    LEU  13           H        LEU  13   6.965  -3.211   1.975
  377    HA   LEU  13           HA       LEU  13   4.194  -2.712   2.323
  378    HB2  LEU  13           HB3      LEU  13   6.371  -1.013   1.132
  379    HB3  LEU  13           HB2      LEU  13   4.698  -0.494   1.187
  380    HG   LEU  13           HG       LEU  13   4.842  -1.007   3.713
  381   HD11  LEU  13          HD11      LEU  13   6.991  -2.144   3.686
  382   HD12  LEU  13          HD12      LEU  13   7.058  -0.695   4.688
  383   HD13  LEU  13          HD13      LEU  13   7.770  -0.685   3.075
  384   HD21  LEU  13          HD21      LEU  13   5.761   1.260   4.132
  385   HD22  LEU  13          HD22      LEU  13   4.516   1.208   2.885
  386   HD23  LEU  13          HD23      LEU  13   6.218   1.342   2.430
  387    H    LEU  14           H        LEU  14   6.054  -3.641  -0.503
  388    HA   LEU  14           HA       LEU  14   4.115  -3.165  -2.450
  389    HB2  LEU  14           HB3      LEU  14   6.381  -3.916  -2.976
  390    HB3  LEU  14           HB2      LEU  14   6.089  -5.449  -2.198
  391    HG   LEU  14           HG       LEU  14   6.103  -5.435  -4.715
  392   HD11  LEU  14          HD11      LEU  14   5.201  -7.294  -3.455
  393   HD12  LEU  14          HD12      LEU  14   4.269  -7.015  -4.926
  394   HD13  LEU  14          HD13      LEU  14   3.633  -6.490  -3.368
  395   HD21  LEU  14          HD21      LEU  14   4.832  -3.370  -5.046
  396   HD22  LEU  14          HD22      LEU  14   3.402  -4.148  -4.366
  397   HD23  LEU  14          HD23      LEU  14   4.093  -4.737  -5.877
  398    H    SER  15           H        SER  15   4.529  -5.820  -0.179
  399    HA   SER  15           HA       SER  15   2.215  -7.257  -0.973
  400    HB2  SER  15           HB3      SER  15   3.596  -7.285   1.723
  401    HB3  SER  15           HB2      SER  15   2.559  -8.545   1.049
  402    HG   SER  15           HG       SER  15   5.145  -7.744   0.202
  403    H    LYS  16           H        LYS  16   2.868  -4.675   1.320
  404    HA   LYS  16           HA       LYS  16   0.412  -4.684   2.671
  405    HB2  LYS  16           HB3      LYS  16   2.434  -3.455   3.403
  406    HB3  LYS  16           HB2      LYS  16   2.199  -2.323   2.081
  407    HG2  LYS  16           HG3      LYS  16   0.183  -1.500   3.039
  408    HG3  LYS  16           HG2      LYS  16   0.169  -2.782   4.252
  409    HD2  LYS  16           HD3      LYS  16   2.201  -1.887   5.248
  410    HD3  LYS  16           HD2      LYS  16   2.277  -0.636   4.006
  411    HE2  LYS  16           HE3      LYS  16   0.229   0.340   4.795
  412    HE3  LYS  16           HE2      LYS  16  -0.006  -0.976   5.943
  413    HZ1  LYS  16           HZ1      LYS  16   0.880   1.045   6.979
  414    HZ2  LYS  16           HZ2      LYS  16   2.262   0.940   6.009
  415    HZ3  LYS  16           HZ3      LYS  16   1.934  -0.267   7.143
  416    H    ASN  17           H        ASN  17   1.429  -2.669  -0.139
  417    HA   ASN  17           HA       ASN  17  -1.164  -1.552  -0.462
  418    HB2  ASN  17           HB3      ASN  17  -0.406  -0.645  -2.564
  419    HB3  ASN  17           HB2      ASN  17   0.883  -0.475  -1.382
  420   HD21  ASN  17          HD21      ASN  17  -0.189  -2.210  -4.224
  421   HD22  ASN  17          HD22      ASN  17   1.362  -2.834  -4.657
  422    H    TYR  18           H        TYR  18   0.317  -4.495  -1.543
  423    HA   TYR  18           HA       TYR  18  -1.509  -5.192  -3.572
  424    HB2  TYR  18           HB3      TYR  18   0.618  -6.373  -3.224
  425    HB3  TYR  18           HB2      TYR  18   0.041  -6.977  -1.677
  426    HD1  TYR  18           HD1      TYR  18  -0.585  -7.114  -5.332
  427    HD2  TYR  18           HD2      TYR  18  -1.188  -8.981  -1.556
  428    HE1  TYR  18           HE1      TYR  18  -1.483  -9.101  -6.465
  429    HE2  TYR  18           HE2      TYR  18  -2.091 -10.972  -2.680
  430    HH   TYR  18           HH       TYR  18  -3.157 -11.549  -4.821
  431    H    HIS  19           H        HIS  19  -1.433  -6.013  -0.112
  432    HA   HIS  19           HA       HIS  19  -3.944  -7.340  -0.122
  433    HB2  HIS  19           HB3      HIS  19  -2.331  -6.147   2.139
  434    HB3  HIS  19           HB2      HIS  19  -3.815  -7.063   2.378
  435    HD1  HIS  19           HD1      HIS  19  -0.336  -7.541   2.534
  436    HD2  HIS  19           HD2      HIS  19  -3.465  -9.752   0.922
  437    HE1  HIS  19           HE1      HIS  19   0.536  -9.887   2.317
  438    HE2  HIS  19           HE2      HIS  19  -1.420 -11.231   1.478
  439    H    LEU  20           H        LEU  20  -2.956  -4.022   0.398
  440    HA   LEU  20           HA       LEU  20  -5.452  -3.034   1.282
  441    HB2  LEU  20           HB3      LEU  20  -2.893  -1.958   0.439
  442    HB3  LEU  20           HB2      LEU  20  -4.226  -0.969  -0.112
  443    HG   LEU  20           HG       LEU  20  -3.298  -0.203   2.042
  444   HD11  LEU  20          HD11      LEU  20  -6.107  -1.275   2.224
  445   HD12  LEU  20          HD12      LEU  20  -5.626   0.260   1.502
  446   HD13  LEU  20          HD13      LEU  20  -5.417  -0.005   3.233
  447   HD21  LEU  20          HD21      LEU  20  -4.309  -2.840   3.094
  448   HD22  LEU  20          HD22      LEU  20  -3.681  -1.510   4.066
  449   HD23  LEU  20          HD23      LEU  20  -2.616  -2.364   2.948
  450    H    GLU  21           H        GLU  21  -4.031  -3.464  -1.923
  451    HA   GLU  21           HA       GLU  21  -6.092  -2.254  -3.415
  452    HB2  GLU  21           HB3      GLU  21  -3.797  -2.982  -4.231
  453    HB3  GLU  21           HB2      GLU  21  -4.423  -4.619  -4.286
  454    HG2  GLU  21           HG3      GLU  21  -5.760  -2.397  -5.775
  455    HG3  GLU  21           HG2      GLU  21  -4.370  -3.242  -6.446
  456    H    ASN  22           H        ASN  22  -5.588  -5.566  -2.306
  457    HA   ASN  22           HA       ASN  22  -7.930  -6.700  -3.368
  458    HB2  ASN  22           HB3      ASN  22  -6.446  -7.451  -0.840
  459    HB3  ASN  22           HB2      ASN  22  -7.643  -8.452  -1.650
  460   HD21  ASN  22          HD21      ASN  22  -6.682  -7.705  -4.323
  461   HD22  ASN  22          HD22      ASN  22  -5.194  -8.560  -4.541
  462    H    GLU  23           H        GLU  23  -7.353  -4.663  -0.660
  463    HA   GLU  23           HA       GLU  23  -9.735  -5.311   0.789
  464    HB2  GLU  23           HB3      GLU  23  -7.577  -4.453   1.792
  465    HB3  GLU  23           HB2      GLU  23  -7.976  -2.869   1.099
  466    HG2  GLU  23           HG3      GLU  23  -8.596  -2.886   3.402
  467    HG3  GLU  23           HG2      GLU  23 -10.065  -2.881   2.427
  468    H    VAL  24           H        VAL  24  -8.736  -2.773  -1.468
  469    HA   VAL  24           HA       VAL  24 -11.144  -1.265  -1.237
  470    HB   VAL  24           HB       VAL  24  -9.237  -1.332  -3.593
  471   HG11  VAL  24          HG11      VAL  24 -10.121   0.848  -4.137
  472   HG12  VAL  24          HG12      VAL  24 -11.158   0.828  -2.709
  473   HG13  VAL  24          HG13      VAL  24 -11.452  -0.306  -4.031
  474   HG21  VAL  24          HG21      VAL  24  -8.064  -0.804  -1.517
  475   HG22  VAL  24          HG22      VAL  24  -9.229   0.479  -1.186
  476   HG23  VAL  24          HG23      VAL  24  -8.160   0.597  -2.582
  477    H    ALA  25           H        ALA  25 -10.046  -3.876  -3.329
  478    HA   ALA  25           HA       ALA  25 -12.110  -3.720  -5.236
  479    HB1  ALA  25           HB1      ALA  25  -9.976  -4.931  -5.559
  480    HB2  ALA  25           HB2      ALA  25 -11.399  -5.881  -5.988
  481    HB3  ALA  25           HB3      ALA  25 -10.565  -6.184  -4.465
  482    H    ARG  26           H        ARG  26 -11.890  -5.522  -2.191
  483    HA   ARG  26           HA       ARG  26 -14.263  -7.001  -2.597
  484    HB2  ARG  26           HB3      ARG  26 -14.176  -7.223  -0.047
  485    HB3  ARG  26           HB2      ARG  26 -12.877  -7.933  -0.983
  486    HG2  ARG  26           HG3      ARG  26 -11.479  -5.984  -0.466
  487    HG3  ARG  26           HG2      ARG  26 -12.786  -5.318   0.519
  488    HD2  ARG  26           HD2      ARG  26 -11.511  -8.008   0.983
  489    HD3  ARG  26           HD1      ARG  26 -11.018  -6.531   1.804
  490    HE   ARG  26           HE       ARG  26 -13.790  -6.901   2.133
  491   HH11  ARG  26          HH11      ARG  26 -10.757  -8.333   3.133
  492   HH12  ARG  26          HH12      ARG  26 -11.363  -8.852   4.673
  493   HH21  ARG  26          HH21      ARG  26 -14.594  -7.588   4.160
  494   HH22  ARG  26          HH22      ARG  26 -13.549  -8.435   5.255
  495    H    LEU  27           H        LEU  27 -13.612  -3.923  -0.959
  496    HA   LEU  27           HA       LEU  27 -16.260  -3.496  -0.088
  497    HB2  LEU  27           HB3      LEU  27 -13.931  -1.695  -0.570
  498    HB3  LEU  27           HB2      LEU  27 -15.515  -0.994  -0.331
  499    HG   LEU  27           HG       LEU  27 -15.694  -2.040   1.857
  500   HD11  LEU  27          HD11      LEU  27 -14.394  -4.053   1.452
  501   HD12  LEU  27          HD12      LEU  27 -13.788  -3.186   2.864
  502   HD13  LEU  27          HD13      LEU  27 -12.922  -3.089   1.330
  503   HD21  LEU  27          HD21      LEU  27 -13.148  -0.503   1.427
  504   HD22  LEU  27          HD22      LEU  27 -13.921  -0.771   2.988
  505   HD23  LEU  27          HD23      LEU  27 -14.751   0.162   1.744
  506    H    LYS  28           H        LYS  28 -14.669  -2.859  -3.158
  507    HA   LYS  28           HA       LYS  28 -16.594  -1.309  -4.411
  508    HB2  LYS  28           HB3      LYS  28 -14.838  -3.490  -5.528
  509    HB3  LYS  28           HB2      LYS  28 -15.864  -2.487  -6.539
  510    HG2  LYS  28           HG3      LYS  28 -13.672  -1.462  -4.748
  511    HG3  LYS  28           HG2      LYS  28 -13.529  -1.729  -6.485
  512    HD2  LYS  28           HD3      LYS  28 -15.386  -0.117  -6.833
  513    HD3  LYS  28           HD2      LYS  28 -15.379   0.210  -5.099
  514    HE2  LYS  28           HE3      LYS  28 -14.123   1.919  -6.261
  515    HE3  LYS  28           HE2      LYS  28 -13.033   0.946  -5.274
  516    HZ1  LYS  28           HZ1      LYS  28 -12.124   1.386  -7.472
  517    HZ2  LYS  28           HZ2      LYS  28 -13.447   0.624  -8.194
  518    HZ3  LYS  28           HZ3      LYS  28 -12.376  -0.268  -7.240
  519    H    LYS  29           H        LYS  29 -16.569  -4.792  -3.859
  520    HA   LYS  29           HA       LYS  29 -18.918  -5.285  -5.385
  521    HB2  LYS  29           HB3      LYS  29 -17.439  -7.091  -5.105
  522    HB3  LYS  29           HB2      LYS  29 -17.402  -6.917  -3.359
  523    HG2  LYS  29           HG3      LYS  29 -19.720  -7.682  -3.241
  524    HG3  LYS  29           HG2      LYS  29 -19.760  -7.839  -4.997
  525    HD2  LYS  29           HD3      LYS  29 -17.967  -9.504  -4.886
  526    HD3  LYS  29           HD2      LYS  29 -17.937  -9.349  -3.129
  527    HE2  LYS  29           HE3      LYS  29 -20.229 -10.150  -3.001
  528    HE3  LYS  29           HE2      LYS  29 -20.311 -10.248  -4.759
  529    HZ1  LYS  29           HZ1      LYS  29 -18.572 -11.923  -4.707
  530    HZ2  LYS  29           HZ2      LYS  29 -19.891 -12.408  -3.774
  531    HZ3  LYS  29           HZ3      LYS  29 -18.492 -11.830  -3.022
  532    H    LEU  30           H        LEU  30 -18.288  -4.412  -2.068
  533    HA   LEU  30           HA       LEU  30 -20.955  -4.916  -1.166
  534    HB2  LEU  30           HB3      LEU  30 -18.815  -3.117  -0.030
  535    HB3  LEU  30           HB2      LEU  30 -20.320  -3.526   0.765
  536    HG   LEU  30           HG       LEU  30 -18.118  -5.471   0.073
  537   HD11  LEU  30          HD11      LEU  30 -17.821  -5.600   2.509
  538   HD12  LEU  30          HD12      LEU  30 -19.009  -4.314   2.710
  539   HD13  LEU  30          HD13      LEU  30 -17.487  -3.986   1.883
  540   HD21  LEU  30          HD21      LEU  30 -19.427  -7.061   1.418
  541   HD22  LEU  30          HD22      LEU  30 -20.292  -6.541  -0.028
  542   HD23  LEU  30          HD23      LEU  30 -20.719  -5.869   1.545
  543    H    VAL  31           H        VAL  31 -19.245  -2.228  -2.610
  544    HA   VAL  31           HA       VAL  31 -21.357  -0.344  -2.174
  545    HB   VAL  31           HB       VAL  31 -18.983  -0.152  -4.050
  546   HG11  VAL  31          HG11      VAL  31 -19.412   2.244  -4.054
  547   HG12  VAL  31          HG12      VAL  31 -20.836   2.004  -3.040
  548   HG13  VAL  31          HG13      VAL  31 -20.804   1.360  -4.682
  549   HG21  VAL  31          HG21      VAL  31 -18.015   1.269  -2.292
  550   HG22  VAL  31          HG22      VAL  31 -18.278  -0.387  -1.749
  551   HG23  VAL  31          HG23      VAL  31 -19.387   0.888  -1.252
  552    H    GLY  32           H        GLY  32 -20.495  -2.590  -4.761
  553    HA2  GLY  32           HA3      GLY  32 -23.094  -2.453  -5.853
  554    HA3  GLY  32           HA2      GLY  32 -22.021  -1.449  -6.808
  555    H    GLU  33           H        GLU  33 -20.890  -4.416  -5.284
  556    HA   GLU  33           HA       GLU  33 -20.203  -6.395  -6.126
  557    HB2  GLU  33           HB3      GLU  33 -22.527  -5.943  -7.996
  558    HB3  GLU  33           HB2      GLU  33 -21.674  -7.469  -7.810
  559    HG2  GLU  33           HG3      GLU  33 -22.351  -7.607  -5.494
  560    HG3  GLU  33           HG2      GLU  33 -23.136  -6.032  -5.608
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  26.312  -0.815  -5.224
    2    H2   GLY   1           H2       GLY   1  24.967  -1.207  -6.170
    3    H3   GLY   1           H3       GLY   1  24.793  -0.985  -4.504
    4    HA2  GLY   1           HA2      GLY   1  25.383   1.342  -4.723
    5    HA3  GLY   1           HA3      GLY   1  25.557   1.111  -6.456
    6    H    SER   2           H        SER   2  23.879   3.029  -5.613
    7    HA   SER   2           HA       SER   2  21.829   3.848  -6.233
    8    HB2  SER   2           HB3      SER   2  21.212   1.019  -7.119
    9    HB3  SER   2           HB2      SER   2  20.224   2.440  -7.457
   10    HG   SER   2           HG       SER   2  22.358   3.256  -8.387
   11    H    MET   3           H        MET   3  22.537   2.722  -3.647
   12    HA   MET   3           HA       MET   3  20.347   1.403  -2.465
   13    HB2  MET   3           HB3      MET   3  22.519   1.409  -1.413
   14    HB3  MET   3           HB2      MET   3  22.498   3.160  -1.287
   15    HG2  MET   3           HG3      MET   3  20.598   3.000   0.269
   16    HG3  MET   3           HG2      MET   3  20.678   1.243   0.158
   17    HE1  MET   3           HE1      MET   3  22.009   1.888   3.766
   18    HE2  MET   3           HE2      MET   3  20.878   0.970   2.773
   19    HE3  MET   3           HE3      MET   3  20.703   2.719   2.922
   20    H    LYS   4           H        LYS   4  21.052   4.788  -3.054
   21    HA   LYS   4           HA       LYS   4  19.027   5.900  -1.439
   22    HB2  LYS   4           HB3      LYS   4  20.889   7.208  -2.430
   23    HB3  LYS   4           HB2      LYS   4  20.164   6.998  -4.016
   24    HG2  LYS   4           HG3      LYS   4  18.219   8.256  -3.338
   25    HG3  LYS   4           HG2      LYS   4  18.846   8.391  -1.698
   26    HD2  LYS   4           HD3      LYS   4  19.292  10.464  -2.750
   27    HD3  LYS   4           HD2      LYS   4  20.829   9.607  -2.681
   28    HE2  LYS   4           HE3      LYS   4  19.091   9.442  -5.116
   29    HE3  LYS   4           HE2      LYS   4  20.149  10.826  -4.863
   30    HZ1  LYS   4           HZ1      LYS   4  21.251   9.193  -6.205
   31    HZ2  LYS   4           HZ2      LYS   4  20.987   7.985  -5.056
   32    HZ3  LYS   4           HZ3      LYS   4  22.024   9.268  -4.704
   33    H    GLN   5           H        GLN   5  18.999   4.457  -4.614
   34    HA   GLN   5           HA       GLN   5  16.468   5.410  -5.446
   35    HB2  GLN   5           HB3      GLN   5  17.882   2.853  -6.229
   36    HB3  GLN   5           HB2      GLN   5  16.529   3.580  -7.083
   37    HG2  GLN   5           HG3      GLN   5  19.274   4.769  -6.750
   38    HG3  GLN   5           HG2      GLN   5  18.612   4.052  -8.217
   39   HE21  GLN   5          HE21      GLN   5  19.624   6.747  -7.703
   40   HE22  GLN   5          HE22      GLN   5  18.338   7.823  -8.124
   41    H    LEU   6           H        LEU   6  17.522   2.561  -3.648
   42    HA   LEU   6           HA       LEU   6  14.993   1.333  -3.422
   43    HB2  LEU   6           HB3      LEU   6  17.501   1.181  -1.782
   44    HB3  LEU   6           HB2      LEU   6  16.043   0.371  -1.251
   45    HG   LEU   6           HG       LEU   6  16.025  -0.899  -3.401
   46   HD11  LEU   6          HD11      LEU   6  18.749   0.339  -3.759
   47   HD12  LEU   6          HD12      LEU   6  17.332   0.625  -4.769
   48   HD13  LEU   6          HD13      LEU   6  18.077  -0.974  -4.727
   49   HD21  LEU   6          HD21      LEU   6  17.843  -2.410  -2.766
   50   HD22  LEU   6          HD22      LEU   6  16.909  -1.882  -1.367
   51   HD23  LEU   6          HD23      LEU   6  18.491  -1.173  -1.691
   52    H    GLU   7           H        GLU   7  16.618   3.787  -1.476
   53    HA   GLU   7           HA       GLU   7  14.750   3.990   0.602
   54    HB2  GLU   7           HB3      GLU   7  16.467   6.139  -0.651
   55    HB3  GLU   7           HB2      GLU   7  15.573   6.331   0.849
   56    HG2  GLU   7           HG3      GLU   7  16.888   4.497   1.832
   57    HG3  GLU   7           HG2      GLU   7  17.821   4.400   0.338
   58    H    ASP   8           H        ASP   8  14.872   5.514  -2.580
   59    HA   ASP   8           HA       ASP   8  12.613   7.170  -2.251
   60    HB2  ASP   8           HB3      ASP   8  13.936   6.030  -4.706
   61    HB3  ASP   8           HB2      ASP   8  12.521   7.072  -4.803
   62    H    LYS   9           H        LYS   9  12.996   3.870  -3.421
   63    HA   LYS   9           HA       LYS   9  10.366   3.523  -4.355
   64    HB2  LYS   9           HB3      LYS   9  12.368   1.483  -3.384
   65    HB3  LYS   9           HB2      LYS   9  10.864   1.087  -4.204
   66    HG2  LYS   9           HG3      LYS   9  11.648   2.408  -6.154
   67    HG3  LYS   9           HG2      LYS   9  13.192   2.624  -5.328
   68    HD2  LYS   9           HD3      LYS   9  13.511   0.205  -5.277
   69    HD3  LYS   9           HD2      LYS   9  11.955  -0.024  -6.077
   70    HE2  LYS   9           HE3      LYS   9  12.813   1.301  -7.995
   71    HE3  LYS   9           HE2      LYS   9  14.387   1.356  -7.203
   72    HZ1  LYS   9           HZ1      LYS   9  14.436  -1.078  -7.279
   73    HZ2  LYS   9           HZ2      LYS   9  14.334  -0.401  -8.823
   74    HZ3  LYS   9           HZ3      LYS   9  12.964  -1.085  -8.110
   75    H    VAL  10           H        VAL  10  11.844   2.562  -1.243
   76    HA   VAL  10           HA       VAL  10   9.509   1.368  -0.233
   77    HB   VAL  10           HB       VAL  10  11.703   0.906   0.739
   78   HG11  VAL  10          HG11      VAL  10  12.779   2.484   2.264
   79   HG12  VAL  10          HG12      VAL  10  11.573   3.702   1.851
   80   HG13  VAL  10          HG13      VAL  10  12.693   3.119   0.620
   81   HG21  VAL  10          HG21      VAL  10  11.064   0.979   3.114
   82   HG22  VAL  10          HG22      VAL  10   9.749   0.423   2.079
   83   HG23  VAL  10          HG23      VAL  10   9.741   2.071   2.708
   84    H    GLU  11           H        GLU  11  10.668   4.704  -0.054
   85    HA   GLU  11           HA       GLU  11   8.566   5.563   1.696
   86    HB2  GLU  11           HB3      GLU  11  10.382   7.155  -0.121
   87    HB3  GLU  11           HB2      GLU  11   9.315   7.845   1.094
   88    HG2  GLU  11           HG3      GLU  11  11.647   6.012   1.601
   89    HG3  GLU  11           HG2      GLU  11  11.593   7.747   1.900
   90    H    GLU  12           H        GLU  12   9.054   5.422  -1.775
   91    HA   GLU  12           HA       GLU  12   6.818   6.866  -2.616
   92    HB2  GLU  12           HB3      GLU  12   8.615   6.071  -4.116
   93    HB3  GLU  12           HB2      GLU  12   8.038   4.424  -3.916
   94    HG2  GLU  12           HG3      GLU  12   7.279   5.317  -6.016
   95    HG3  GLU  12           HG2      GLU  12   5.906   5.057  -4.942
   96    H    LEU  13           H        LEU  13   7.077   3.309  -2.182
   97    HA   LEU  13           HA       LEU  13   4.293   2.909  -2.470
   98    HB2  LEU  13           HB3      LEU  13   6.443   1.145  -1.336
   99    HB3  LEU  13           HB2      LEU  13   4.755   0.677  -1.308
  100    HG   LEU  13           HG       LEU  13   4.760   1.106  -3.824
  101   HD11  LEU  13          HD11      LEU  13   7.731   0.898  -3.383
  102   HD12  LEU  13          HD12      LEU  13   6.857   2.307  -3.985
  103   HD13  LEU  13          HD13      LEU  13   6.915   0.827  -4.945
  104   HD21  LEU  13          HD21      LEU  13   5.650  -1.140  -4.281
  105   HD22  LEU  13          HD22      LEU  13   4.597  -1.112  -2.864
  106   HD23  LEU  13          HD23      LEU  13   6.350  -1.177  -2.663
  107    H    LEU  14           H        LEU  14   6.252   3.578   0.374
  108    HA   LEU  14           HA       LEU  14   4.362   3.177   2.365
  109    HB2  LEU  14           HB3      LEU  14   6.685   3.763   2.808
  110    HB3  LEU  14           HB2      LEU  14   6.466   5.334   2.080
  111    HG   LEU  14           HG       LEU  14   6.603   5.234   4.597
  112   HD11  LEU  14          HD11      LEU  14   4.929   6.966   4.931
  113   HD12  LEU  14          HD12      LEU  14   4.183   6.543   3.390
  114   HD13  LEU  14          HD13      LEU  14   5.819   7.203   3.426
  115   HD21  LEU  14          HD21      LEU  14   3.788   4.197   4.336
  116   HD22  LEU  14          HD22      LEU  14   4.592   4.676   5.830
  117   HD23  LEU  14          HD23      LEU  14   5.171   3.276   4.928
  118    H    SER  15           H        SER  15   4.799   5.876   0.156
  119    HA   SER  15           HA       SER  15   2.560   7.352   1.156
  120    HB2  SER  15           HB3      SER  15   4.018   7.626  -1.485
  121    HB3  SER  15           HB2      SER  15   2.953   8.825  -0.751
  122    HG   SER  15           HG       SER  15   5.429   7.880   0.294
  123    H    LYS  16           H        LYS  16   3.123   5.024  -1.440
  124    HA   LYS  16           HA       LYS  16   0.721   5.462  -2.839
  125    HB2  LYS  16           HB3      LYS  16   2.795   4.224  -3.624
  126    HB3  LYS  16           HB2      LYS  16   2.202   2.845  -2.712
  127    HG2  LYS  16           HG3      LYS  16   0.323   2.599  -4.101
  128    HG3  LYS  16           HG2      LYS  16   0.549   4.192  -4.823
  129    HD2  LYS  16           HD3      LYS  16   1.282   2.562  -6.412
  130    HD3  LYS  16           HD2      LYS  16   2.713   3.367  -5.767
  131    HE2  LYS  16           HE3      LYS  16   3.259   1.081  -5.805
  132    HE3  LYS  16           HE2      LYS  16   2.868   1.437  -4.124
  133    HZ1  LYS  16           HZ1      LYS  16   0.610   0.577  -4.578
  134    HZ2  LYS  16           HZ2      LYS  16   1.822  -0.591  -4.732
  135    HZ3  LYS  16           HZ3      LYS  16   1.131   0.096  -6.114
  136    H    ASN  17           H        ASN  17   1.504   2.984  -0.346
  137    HA   ASN  17           HA       ASN  17  -1.112   1.882  -0.431
  138    HB2  ASN  17           HB3      ASN  17  -0.512   0.711   1.674
  139    HB3  ASN  17           HB2      ASN  17   0.651   0.484   0.389
  140   HD21  ASN  17          HD21      ASN  17   0.433   3.308   2.512
  141   HD22  ASN  17          HD22      ASN  17   1.963   3.052   3.266
  142    H    TYR  18           H        TYR  18   0.154   4.670   1.072
  143    HA   TYR  18           HA       TYR  18  -1.784   4.923   3.142
  144    HB2  TYR  18           HB3      TYR  18   0.354   6.166   3.162
  145    HB3  TYR  18           HB2      TYR  18  -0.166   7.069   1.744
  146    HD1  TYR  18           HD1      TYR  18  -1.530   8.987   1.959
  147    HD2  TYR  18           HD2      TYR  18  -0.921   6.445   5.317
  148    HE1  TYR  18           HE1      TYR  18  -2.588  10.662   3.412
  149    HE2  TYR  18           HE2      TYR  18  -1.978   8.115   6.777
  150    HH   TYR  18           HH       TYR  18  -3.727  10.777   5.564
  151    H    HIS  19           H        HIS  19  -1.515   6.025  -0.190
  152    HA   HIS  19           HA       HIS  19  -3.972   7.464  -0.209
  153    HB2  HIS  19           HB3      HIS  19  -2.354   6.324  -2.502
  154    HB3  HIS  19           HB2      HIS  19  -3.704   7.441  -2.679
  155    HD1  HIS  19           HD1      HIS  19  -0.355   7.687  -3.115
  156    HD2  HIS  19           HD2      HIS  19  -2.899   9.710  -0.525
  157    HE1  HIS  19           HE1      HIS  19   0.833   9.820  -2.528
  158    HE2  HIS  19           HE2      HIS  19  -0.658  10.955  -0.848
  159    H    LEU  20           H        LEU  20  -3.078   4.136  -0.722
  160    HA   LEU  20           HA       LEU  20  -5.583   3.303  -1.792
  161    HB2  LEU  20           HB3      LEU  20  -3.170   1.956  -0.724
  162    HB3  LEU  20           HB2      LEU  20  -4.664   1.036  -0.693
  163    HG   LEU  20           HG       LEU  20  -4.900   1.202  -3.078
  164   HD11  LEU  20          HD11      LEU  20  -2.421   2.914  -3.048
  165   HD12  LEU  20          HD12      LEU  20  -4.066   3.492  -3.325
  166   HD13  LEU  20          HD13      LEU  20  -3.313   2.385  -4.476
  167   HD21  LEU  20          HD21      LEU  20  -2.051   0.526  -2.371
  168   HD22  LEU  20          HD22      LEU  20  -2.924  -0.007  -3.806
  169   HD23  LEU  20          HD23      LEU  20  -3.433  -0.557  -2.210
  170    H    GLU  21           H        GLU  21  -4.249   3.585   1.453
  171    HA   GLU  21           HA       GLU  21  -6.393   2.416   2.855
  172    HB2  GLU  21           HB3      GLU  21  -4.506   4.645   3.630
  173    HB3  GLU  21           HB2      GLU  21  -5.685   3.958   4.735
  174    HG2  GLU  21           HG3      GLU  21  -4.622   1.774   4.520
  175    HG3  GLU  21           HG2      GLU  21  -3.435   2.461   3.412
  176    H    ASN  22           H        ASN  22  -5.891   5.602   1.507
  177    HA   ASN  22           HA       ASN  22  -8.210   6.829   2.543
  178    HB2  ASN  22           HB3      ASN  22  -6.625   7.428   0.039
  179    HB3  ASN  22           HB2      ASN  22  -7.901   8.460   0.673
  180   HD21  ASN  22          HD21      ASN  22  -7.192   8.006   3.457
  181   HD22  ASN  22          HD22      ASN  22  -5.733   8.886   3.731
  182    H    GLU  23           H        GLU  23  -7.612   4.807  -0.266
  183    HA   GLU  23           HA       GLU  23 -10.166   5.259  -1.466
  184    HB2  GLU  23           HB3      GLU  23  -8.101   3.083  -1.860
  185    HB3  GLU  23           HB2      GLU  23  -9.600   3.201  -2.807
  186    HG2  GLU  23           HG3      GLU  23  -8.904   5.400  -3.616
  187    HG3  GLU  23           HG2      GLU  23  -7.416   5.278  -2.677
  188    H    VAL  24           H        VAL  24  -8.810   2.768   0.660
  189    HA   VAL  24           HA       VAL  24 -11.073   1.108   0.732
  190    HB   VAL  24           HB       VAL  24  -9.110   1.546   2.995
  191   HG11  VAL  24          HG11      VAL  24  -9.716  -0.710   3.690
  192   HG12  VAL  24          HG12      VAL  24 -10.861  -0.833   2.353
  193   HG13  VAL  24          HG13      VAL  24 -11.137   0.332   3.650
  194   HG21  VAL  24          HG21      VAL  24  -7.861  -0.346   2.084
  195   HG22  VAL  24          HG22      VAL  24  -7.936   0.983   0.926
  196   HG23  VAL  24          HG23      VAL  24  -8.973  -0.429   0.720
  197    H    ALA  25           H        ALA  25 -10.184   3.973   2.579
  198    HA   ALA  25           HA       ALA  25 -12.331   3.769   4.446
  199    HB1  ALA  25           HB1      ALA  25 -11.707   5.964   5.179
  200    HB2  ALA  25           HB2      ALA  25 -10.784   6.243   3.706
  201    HB3  ALA  25           HB3      ALA  25 -10.240   5.036   4.871
  202    H    ARG  26           H        ARG  26 -11.945   5.305   1.318
  203    HA   ARG  26           HA       ARG  26 -14.235   6.954   1.431
  204    HB2  ARG  26           HB3      ARG  26 -13.640   7.587  -0.667
  205    HB3  ARG  26           HB2      ARG  26 -12.163   6.732  -0.277
  206    HG2  ARG  26           HG3      ARG  26 -12.653   6.003  -2.410
  207    HG3  ARG  26           HG2      ARG  26 -13.281   4.697  -1.406
  208    HD2  ARG  26           HD2      ARG  26 -14.859   5.256  -3.172
  209    HD3  ARG  26           HD1      ARG  26 -15.539   5.665  -1.599
  210    HE   ARG  26           HE       ARG  26 -14.453   7.604  -3.540
  211   HH11  ARG  26          HH11      ARG  26 -16.511   6.855  -0.791
  212   HH12  ARG  26          HH12      ARG  26 -17.291   8.404  -0.799
  213   HH21  ARG  26          HH21      ARG  26 -15.485   9.631  -3.545
  214   HH22  ARG  26          HH22      ARG  26 -16.707   9.980  -2.365
  215    H    LEU  27           H        LEU  27 -13.686   3.653   0.458
  216    HA   LEU  27           HA       LEU  27 -16.336   3.205  -0.506
  217    HB2  LEU  27           HB3      LEU  27 -14.070   1.394   0.231
  218    HB3  LEU  27           HB2      LEU  27 -15.620   0.785  -0.298
  219    HG   LEU  27           HG       LEU  27 -14.085   2.735  -1.950
  220   HD11  LEU  27          HD11      LEU  27 -13.896  -0.240  -2.160
  221   HD12  LEU  27          HD12      LEU  27 -12.686   0.777  -1.380
  222   HD13  LEU  27          HD13      LEU  27 -13.019   0.966  -3.103
  223   HD21  LEU  27          HD21      LEU  27 -16.109   0.625  -2.661
  224   HD22  LEU  27          HD22      LEU  27 -15.381   1.795  -3.764
  225   HD23  LEU  27          HD23      LEU  27 -16.456   2.344  -2.479
  226    H    LYS  28           H        LYS  28 -14.657   2.378   2.522
  227    HA   LYS  28           HA       LYS  28 -16.605   1.088   3.919
  228    HB2  LYS  28           HB3      LYS  28 -14.768   3.277   4.893
  229    HB3  LYS  28           HB2      LYS  28 -15.779   2.330   5.971
  230    HG2  LYS  28           HG3      LYS  28 -13.611   1.250   4.180
  231    HG3  LYS  28           HG2      LYS  28 -13.489   1.502   5.921
  232    HD2  LYS  28           HD3      LYS  28 -15.409  -0.378   4.544
  233    HD3  LYS  28           HD2      LYS  28 -13.923  -0.851   5.362
  234    HE2  LYS  28           HE3      LYS  28 -16.267   0.520   6.674
  235    HE3  LYS  28           HE2      LYS  28 -15.942  -1.209   6.739
  236    HZ1  LYS  28           HZ1      LYS  28 -14.162   0.920   7.790
  237    HZ2  LYS  28           HZ2      LYS  28 -13.866  -0.741   7.865
  238    HZ3  LYS  28           HZ3      LYS  28 -15.162  -0.075   8.719
  239    H    LYS  29           H        LYS  29 -16.366   4.613   3.526
  240    HA   LYS  29           HA       LYS  29 -18.646   5.291   4.996
  241    HB2  LYS  29           HB3      LYS  29 -17.438   6.736   2.635
  242    HB3  LYS  29           HB2      LYS  29 -18.525   7.427   3.826
  243    HG2  LYS  29           HG3      LYS  29 -16.872   7.085   5.574
  244    HG3  LYS  29           HG2      LYS  29 -15.779   6.347   4.402
  245    HD2  LYS  29           HD3      LYS  29 -15.763   8.468   3.135
  246    HD3  LYS  29           HD2      LYS  29 -16.777   9.195   4.384
  247    HE2  LYS  29           HE3      LYS  29 -15.014   8.686   6.046
  248    HE3  LYS  29           HE2      LYS  29 -13.997   8.080   4.740
  249    HZ1  LYS  29           HZ1      LYS  29 -15.025  10.853   4.982
  250    HZ2  LYS  29           HZ2      LYS  29 -14.047  10.273   3.734
  251    HZ3  LYS  29           HZ3      LYS  29 -13.444  10.356   5.311
  252    H    LEU  30           H        LEU  30 -18.238   4.468   1.587
  253    HA   LEU  30           HA       LEU  30 -20.870   5.085   0.763
  254    HB2  LEU  30           HB3      LEU  30 -18.805   3.221  -0.377
  255    HB3  LEU  30           HB2      LEU  30 -20.334   3.556  -1.163
  256    HG   LEU  30           HG       LEU  30 -18.182   5.590  -0.568
  257   HD11  LEU  30          HD11      LEU  30 -19.061   4.331  -3.161
  258   HD12  LEU  30          HD12      LEU  30 -17.532   4.051  -2.330
  259   HD13  LEU  30          HD13      LEU  30 -17.893   5.642  -3.000
  260   HD21  LEU  30          HD21      LEU  30 -20.809   5.854  -2.029
  261   HD22  LEU  30          HD22      LEU  30 -19.551   7.088  -1.960
  262   HD23  LEU  30          HD23      LEU  30 -20.387   6.600  -0.486
  263    H    VAL  31           H        VAL  31 -19.456   2.204   2.196
  264    HA   VAL  31           HA       VAL  31 -21.792   0.590   1.684
  265    HB   VAL  31           HB       VAL  31 -19.560  -0.032   3.627
  266   HG11  VAL  31          HG11      VAL  31 -20.192  -2.348   3.246
  267   HG12  VAL  31          HG12      VAL  31 -21.448  -1.838   2.120
  268   HG13  VAL  31          HG13      VAL  31 -21.574  -1.421   3.829
  269   HG21  VAL  31          HG21      VAL  31 -18.490  -1.261   1.803
  270   HG22  VAL  31          HG22      VAL  31 -18.603   0.461   1.441
  271   HG23  VAL  31          HG23      VAL  31 -19.722  -0.674   0.686
  272    H    GLY  32           H        GLY  32 -20.660   2.690   4.213
  273    HA2  GLY  32           HA3      GLY  32 -22.836   3.457   5.423
  274    HA3  GLY  32           HA2      GLY  32 -22.816   1.795   5.992
  275    H    GLU  33           H        GLU  33 -20.046   3.901   5.499
  276    HA   GLU  33           HA       GLU  33 -18.379   4.603   6.858
  277    HB2  GLU  33           HB3      GLU  33 -20.273   6.021   7.661
  278    HB3  GLU  33           HB2      GLU  33 -20.557   4.843   8.932
  279    HG2  GLU  33           HG3      GLU  33 -18.268   5.251   9.769
  280    HG3  GLU  33           HG2      GLU  33 -18.083   6.510   8.547
  281    H1   GLY   1           H1       GLY   1  26.326   0.631   4.502
  282    H2   GLY   1           H2       GLY   1  24.987   1.024   5.458
  283    H3   GLY   1           H3       GLY   1  24.803   0.804   3.794
  284    HA2  GLY   1           HA2      GLY   1  25.392  -1.527   4.002
  285    HA3  GLY   1           HA3      GLY   1  25.566  -1.297   5.736
  286    H    SER   2           H        SER   2  23.894  -3.214   4.919
  287    HA   SER   2           HA       SER   2  21.840  -4.031   5.542
  288    HB2  SER   2           HB3      SER   2  21.228  -1.194   6.416
  289    HB3  SER   2           HB2      SER   2  20.252  -2.618   6.779
  290    HG   SER   2           HG       SER   2  22.360  -3.429   7.718
  291    H    MET   3           H        MET   3  22.531  -2.918   2.953
  292    HA   MET   3           HA       MET   3  20.346  -1.591   1.773
  293    HB2  MET   3           HB3      MET   3  22.514  -1.605   0.715
  294    HB3  MET   3           HB2      MET   3  22.490  -3.360   0.598
  295    HG2  MET   3           HG3      MET   3  20.579  -3.198  -0.950
  296    HG3  MET   3           HG2      MET   3  20.673  -1.441  -0.853
  297    HE1  MET   3           HE1      MET   3  21.977  -2.099  -4.460
  298    HE2  MET   3           HE2      MET   3  20.854  -1.181  -3.458
  299    HE3  MET   3           HE3      MET   3  20.673  -2.928  -3.611
  300    H    LYS   4           H        LYS   4  21.047  -4.972   2.376
  301    HA   LYS   4           HA       LYS   4  19.017  -6.089   0.771
  302    HB2  LYS   4           HB3      LYS   4  20.879  -7.398   1.760
  303    HB3  LYS   4           HB2      LYS   4  20.161  -7.179   3.350
  304    HG2  LYS   4           HG3      LYS   4  18.206  -8.432   2.683
  305    HG3  LYS   4           HG2      LYS   4  18.827  -8.575   1.042
  306    HD2  LYS   4           HD3      LYS   4  19.263 -10.645   2.101
  307    HD3  LYS   4           HD2      LYS   4  20.804  -9.800   2.021
  308    HE2  LYS   4           HE3      LYS   4  19.081  -9.617   4.464
  309    HE3  LYS   4           HE2      LYS   4  20.132 -11.006   4.210
  310    HZ1  LYS   4           HZ1      LYS   4  21.246  -9.368   5.541
  311    HZ2  LYS   4           HZ2      LYS   4  20.982  -8.167   4.387
  312    HZ3  LYS   4           HZ3      LYS   4  22.011  -9.458   4.037
  313    H    GLN   5           H        GLN   5  18.997  -4.635   3.940
  314    HA   GLN   5           HA       GLN   5  16.467  -5.580   4.786
  315    HB2  GLN   5           HB3      GLN   5  17.889  -3.021   5.555
  316    HB3  GLN   5           HB2      GLN   5  16.542  -3.747   6.419
  317    HG2  GLN   5           HG3      GLN   5  19.283  -4.938   6.071
  318    HG3  GLN   5           HG2      GLN   5  18.631  -4.219   7.542
  319   HE21  GLN   5          HE21      GLN   5  19.637  -6.922   7.021
  320   HE22  GLN   5          HE22      GLN   5  18.351  -7.994   7.455
  321    H    LEU   6           H        LEU   6  17.521  -2.743   2.972
  322    HA   LEU   6           HA       LEU   6  14.994  -1.508   2.752
  323    HB2  LEU   6           HB3      LEU   6  17.496  -1.368   1.102
  324    HB3  LEU   6           HB2      LEU   6  16.037  -0.556   0.576
  325    HG   LEU   6           HG       LEU   6  16.035   0.721   2.722
  326   HD11  LEU   6          HD11      LEU   6  18.755  -0.526   3.066
  327   HD12  LEU   6          HD12      LEU   6  17.343  -0.800   4.086
  328   HD13  LEU   6          HD13      LEU   6  18.096   0.794   4.031
  329   HD21  LEU   6          HD21      LEU   6  17.853   2.227   2.076
  330   HD22  LEU   6          HD22      LEU   6  16.913   1.701   0.681
  331   HD23  LEU   6          HD23      LEU   6  18.494   0.987   0.999
  332    H    GLU   7           H        GLU   7  16.605  -3.976   0.811
  333    HA   GLU   7           HA       GLU   7  14.729  -4.176  -1.260
  334    HB2  GLU   7           HB3      GLU   7  16.445  -6.327  -0.011
  335    HB3  GLU   7           HB2      GLU   7  15.546  -6.518  -1.509
  336    HG2  GLU   7           HG3      GLU   7  16.862  -4.687  -2.499
  337    HG3  GLU   7           HG2      GLU   7  17.799  -4.588  -1.006
  338    H    ASP   8           H        ASP   8  14.864  -5.695   1.923
  339    HA   ASP   8           HA       ASP   8  12.595  -7.342   1.618
  340    HB2  ASP   8           HB3      ASP   8  13.938  -6.192   4.060
  341    HB3  ASP   8           HB2      ASP   8  12.521  -7.227   4.170
  342    H    LYS   9           H        LYS   9  12.995  -4.036   2.767
  343    HA   LYS   9           HA       LYS   9  10.370  -3.682   3.716
  344    HB2  LYS   9           HB3      LYS   9  12.370  -1.647   2.728
  345    HB3  LYS   9           HB2      LYS   9  10.870  -1.248   3.555
  346    HG2  LYS   9           HG3      LYS   9  11.657  -2.560   5.506
  347    HG3  LYS   9           HG2      LYS   9  13.198  -2.789   4.675
  348    HD2  LYS   9           HD3      LYS   9  13.531  -0.372   4.612
  349    HD3  LYS   9           HD2      LYS   9  11.978  -0.131   5.414
  350    HE2  LYS   9           HE3      LYS   9  12.837  -1.456   7.335
  351    HE3  LYS   9           HE2      LYS   9  14.410  -1.510   6.542
  352    HZ1  LYS   9           HZ1      LYS   9  14.462   0.922   6.615
  353    HZ2  LYS   9           HZ2      LYS   9  14.345   0.253   8.162
  354    HZ3  LYS   9           HZ3      LYS   9  12.981   0.936   7.437
  355    H    VAL  10           H        VAL  10  11.834  -2.740   0.591
  356    HA   VAL  10           HA       VAL  10   9.498  -1.540  -0.413
  357    HB   VAL  10           HB       VAL  10  11.688  -1.084  -1.394
  358   HG11  VAL  10          HG11      VAL  10  12.756  -2.669  -2.919
  359   HG12  VAL  10          HG12      VAL  10  11.550  -3.884  -2.497
  360   HG13  VAL  10          HG13      VAL  10  12.677  -3.298  -1.272
  361   HG21  VAL  10          HG21      VAL  10  11.037  -1.164  -3.767
  362   HG22  VAL  10          HG22      VAL  10   9.728  -0.605  -2.726
  363   HG23  VAL  10          HG23      VAL  10   9.714  -2.254  -3.351
  364    H    GLU  11           H        GLU  11  10.651  -4.879  -0.586
  365    HA   GLU  11           HA       GLU  11   8.541  -5.743  -2.323
  366    HB2  GLU  11           HB3      GLU  11  10.370  -7.322  -0.503
  367    HB3  GLU  11           HB2      GLU  11   9.295  -8.022  -1.705
  368    HG2  GLU  11           HG3      GLU  11  11.625  -6.193  -2.242
  369    HG3  GLU  11           HG2      GLU  11  11.562  -7.929  -2.538
  370    H    GLU  12           H        GLU  12   9.044  -5.593   1.145
  371    HA   GLU  12           HA       GLU  12   6.807  -7.022   2.002
  372    HB2  GLU  12           HB3      GLU  12   8.613  -6.227   3.492
  373    HB3  GLU  12           HB2      GLU  12   8.039  -4.578   3.291
  374    HG2  GLU  12           HG3      GLU  12   7.283  -5.468   5.395
  375    HG3  GLU  12           HG2      GLU  12   5.908  -5.204   4.324
  376    H    LEU  13           H        LEU  13   7.073  -3.469   1.547
  377    HA   LEU  13           HA       LEU  13   4.290  -3.061   1.855
  378    HB2  LEU  13           HB3      LEU  13   6.440  -1.304   0.704
  379    HB3  LEU  13           HB2      LEU  13   4.753  -0.832   0.681
  380    HG   LEU  13           HG       LEU  13   4.767  -1.252   3.197
  381   HD11  LEU  13          HD11      LEU  13   7.738  -1.059   2.745
  382   HD12  LEU  13          HD12      LEU  13   6.858  -2.461   3.356
  383   HD13  LEU  13          HD13      LEU  13   6.927  -0.979   4.309
  384   HD21  LEU  13          HD21      LEU  13   5.662   0.993   3.648
  385   HD22  LEU  13          HD22      LEU  13   4.606   0.961   2.235
  386   HD23  LEU  13          HD23      LEU  13   6.357   1.024   2.026
  387    H    LEU  14           H        LEU  14   6.233  -3.747  -0.996
  388    HA   LEU  14           HA       LEU  14   4.336  -3.345  -2.980
  389    HB2  LEU  14           HB3      LEU  14   6.654  -3.935  -3.433
  390    HB3  LEU  14           HB2      LEU  14   6.441  -5.502  -2.697
  391    HG   LEU  14           HG       LEU  14   6.565  -5.414  -5.216
  392   HD11  LEU  14          HD11      LEU  14   4.889  -7.143  -5.541
  393   HD12  LEU  14          HD12      LEU  14   4.147  -6.717  -3.998
  394   HD13  LEU  14          HD13      LEU  14   5.781  -7.380  -4.038
  395   HD21  LEU  14          HD21      LEU  14   3.755  -4.373  -4.944
  396   HD22  LEU  14          HD22      LEU  14   4.550  -4.855  -6.441
  397   HD23  LEU  14          HD23      LEU  14   5.136  -3.454  -5.543
  398    H    SER  15           H        SER  15   4.774  -6.036  -0.760
  399    HA   SER  15           HA       SER  15   2.526  -7.505  -1.752
  400    HB2  SER  15           HB3      SER  15   4.004  -7.784   0.876
  401    HB3  SER  15           HB2      SER  15   2.913  -8.973   0.163
  402    HG   SER  15           HG       SER  15   5.395  -8.072  -0.903
  403    H    LYS  16           H        LYS  16   3.109  -5.180   0.840
  404    HA   LYS  16           HA       LYS  16   0.711  -5.603   2.243
  405    HB2  LYS  16           HB3      LYS  16   2.793  -4.372   3.016
  406    HB3  LYS  16           HB2      LYS  16   2.201  -2.991   2.104
  407    HG2  LYS  16           HG3      LYS  16   0.325  -2.735   3.501
  408    HG3  LYS  16           HG2      LYS  16   0.552  -4.328   4.227
  409    HD2  LYS  16           HD3      LYS  16   1.298  -2.699   5.807
  410    HD3  LYS  16           HD2      LYS  16   2.724  -3.506   5.159
  411    HE2  LYS  16           HE3      LYS  16   3.270  -1.220   5.193
  412    HE3  LYS  16           HE2      LYS  16   2.877  -1.578   3.513
  413    HZ1  LYS  16           HZ1      LYS  16   0.620  -0.717   3.966
  414    HZ2  LYS  16           HZ2      LYS  16   1.832   0.453   4.117
  415    HZ3  LYS  16           HZ3      LYS  16   1.139  -0.234   5.500
  416    H    ASN  17           H        ASN  17   1.489  -3.133  -0.261
  417    HA   ASN  17           HA       ASN  17  -1.124  -2.027  -0.165
  418    HB2  ASN  17           HB3      ASN  17  -0.529  -0.860  -2.275
  419    HB3  ASN  17           HB2      ASN  17   0.635  -0.633  -0.992
  420   HD21  ASN  17          HD21      ASN  17   0.410  -3.458  -3.109
  421   HD22  ASN  17          HD22      ASN  17   1.936  -3.201  -3.872
  422    H    TYR  18           H        TYR  18   0.131  -4.819  -1.669
  423    HA   TYR  18           HA       TYR  18  -1.821  -5.078  -3.727
  424    HB2  TYR  18           HB3      TYR  18   0.317  -6.325  -3.751
  425    HB3  TYR  18           HB2      TYR  18  -0.198  -7.221  -2.327
  426    HD1  TYR  18           HD1      TYR  18  -1.570  -9.140  -2.532
  427    HD2  TYR  18           HD2      TYR  18  -0.963  -6.609  -5.900
  428    HE1  TYR  18           HE1      TYR  18  -2.635 -10.816  -3.980
  429    HE2  TYR  18           HE2      TYR  18  -2.028  -8.280  -7.354
  430    HH   TYR  18           HH       TYR  18  -3.798 -10.905  -6.150
  431    H    HIS  19           H        HIS  19  -1.533  -6.172  -0.391
  432    HA   HIS  19           HA       HIS  19  -3.992  -7.604  -0.354
  433    HB2  HIS  19           HB3      HIS  19  -2.363  -6.458   1.926
  434    HB3  HIS  19           HB2      HIS  19  -3.717  -7.568   2.113
  435    HD1  HIS  19           HD1      HIS  19  -0.362  -7.821   2.535
  436    HD2  HIS  19           HD2      HIS  19  -2.936  -9.854  -0.023
  437    HE1  HIS  19           HE1      HIS  19   0.816  -9.963   1.948
  438    HE2  HIS  19           HE2      HIS  19  -0.690 -11.094   0.277
  439    H    LEU  20           H        LEU  20  -3.094  -4.274   0.131
  440    HA   LEU  20           HA       LEU  20  -5.591  -3.434   1.218
  441    HB2  LEU  20           HB3      LEU  20  -3.180  -2.096   0.136
  442    HB3  LEU  20           HB2      LEU  20  -4.670  -1.173   0.108
  443    HG   LEU  20           HG       LEU  20  -4.899  -1.330   2.495
  444   HD11  LEU  20          HD11      LEU  20  -2.426  -3.049   2.464
  445   HD12  LEU  20          HD12      LEU  20  -4.071  -3.623   2.745
  446   HD13  LEU  20          HD13      LEU  20  -3.313  -2.513   3.892
  447   HD21  LEU  20          HD21      LEU  20  -2.051  -0.663   1.774
  448   HD22  LEU  20          HD22      LEU  20  -2.915  -0.125   3.214
  449   HD23  LEU  20          HD23      LEU  20  -3.431   0.422   1.619
  450    H    GLU  21           H        GLU  21  -4.274  -3.733  -2.034
  451    HA   GLU  21           HA       GLU  21  -6.418  -2.558  -3.430
  452    HB2  GLU  21           HB3      GLU  21  -4.547  -4.797  -4.206
  453    HB3  GLU  21           HB2      GLU  21  -5.728  -4.109  -5.309
  454    HG2  GLU  21           HG3      GLU  21  -4.649  -1.930  -5.107
  455    HG3  GLU  21           HG2      GLU  21  -3.460  -2.620  -4.004
  456    H    ASN  22           H        ASN  22  -5.923  -5.745  -2.081
  457    HA   ASN  22           HA       ASN  22  -8.250  -6.969  -3.095
  458    HB2  ASN  22           HB3      ASN  22  -6.657  -7.559  -0.594
  459    HB3  ASN  22           HB2      ASN  22  -7.939  -8.589  -1.216
  460   HD21  ASN  22          HD21      ASN  22  -7.227  -8.133  -4.006
  461   HD22  ASN  22          HD22      ASN  22  -5.775  -9.028  -4.283
  462    H    GLU  23           H        GLU  23  -7.632  -4.946  -0.292
  463    HA   GLU  23           HA       GLU  23 -10.180  -5.381   0.923
  464    HB2  GLU  23           HB3      GLU  23  -8.108  -3.209   1.295
  465    HB3  GLU  23           HB2      GLU  23  -9.602  -3.320   2.251
  466    HG2  GLU  23           HG3      GLU  23  -8.903  -5.515   3.066
  467    HG3  GLU  23           HG2      GLU  23  -7.420  -5.399   2.119
  468    H    VAL  24           H        VAL  24  -8.828  -2.899  -1.218
  469    HA   VAL  24           HA       VAL  24 -11.087  -1.234  -1.286
  470    HB   VAL  24           HB       VAL  24  -9.132  -1.683  -3.553
  471   HG11  VAL  24          HG11      VAL  24  -9.738   0.569  -4.255
  472   HG12  VAL  24          HG12      VAL  24 -10.876   0.699  -2.914
  473   HG13  VAL  24          HG13      VAL  24 -11.162  -0.470  -4.205
  474   HG21  VAL  24          HG21      VAL  24  -7.880   0.208  -2.655
  475   HG22  VAL  24          HG22      VAL  24  -7.954  -1.115  -1.491
  476   HG23  VAL  24          HG23      VAL  24  -8.987   0.298  -1.286
  477    H    ALA  25           H        ALA  25 -10.215  -4.110  -3.121
  478    HA   ALA  25           HA       ALA  25 -12.366  -3.904  -4.987
  479    HB1  ALA  25           HB1      ALA  25 -11.749  -6.103  -5.717
  480    HB2  ALA  25           HB2      ALA  25 -10.823  -6.379  -4.244
  481    HB3  ALA  25           HB3      ALA  25 -10.278  -5.178  -5.415
  482    H    ARG  26           H        ARG  26 -11.971  -5.435  -1.856
  483    HA   ARG  26           HA       ARG  26 -14.265  -7.077  -1.955
  484    HB2  ARG  26           HB3      ARG  26 -13.660  -7.707   0.143
  485    HB3  ARG  26           HB2      ARG  26 -12.186  -6.852  -0.257
  486    HG2  ARG  26           HG3      ARG  26 -12.666  -6.118   1.876
  487    HG3  ARG  26           HG2      ARG  26 -13.295  -4.815   0.872
  488    HD2  ARG  26           HD2      ARG  26 -14.865  -5.365   2.647
  489    HD3  ARG  26           HD1      ARG  26 -15.554  -5.776   1.079
  490    HE   ARG  26           HE       ARG  26 -14.465  -7.716   3.018
  491   HH11  ARG  26          HH11      ARG  26 -16.529  -6.964   0.280
  492   HH12  ARG  26          HH12      ARG  26 -17.310  -8.512   0.289
  493   HH21  ARG  26          HH21      ARG  26 -15.505  -9.744   3.027
  494   HH22  ARG  26          HH22      ARG  26 -16.737 -10.088   1.855
  495    H    LEU  27           H        LEU  27 -13.705  -3.775  -0.993
  496    HA   LEU  27           HA       LEU  27 -16.351  -3.315  -0.023
  497    HB2  LEU  27           HB3      LEU  27 -14.082  -1.514  -0.775
  498    HB3  LEU  27           HB2      LEU  27 -15.629  -0.895  -0.240
  499    HG   LEU  27           HG       LEU  27 -14.093  -2.848   1.411
  500   HD11  LEU  27          HD11      LEU  27 -13.894   0.126   1.612
  501   HD12  LEU  27          HD12      LEU  27 -12.691  -0.896   0.829
  502   HD13  LEU  27          HD13      LEU  27 -13.016  -1.080   2.555
  503   HD21  LEU  27          HD21      LEU  27 -16.106  -0.731   2.127
  504   HD22  LEU  27          HD22      LEU  27 -15.377  -1.902   3.228
  505   HD23  LEU  27          HD23      LEU  27 -16.458  -2.449   1.948
  506    H    LYS  28           H        LYS  28 -14.680  -2.508  -3.061
  507    HA   LYS  28           HA       LYS  28 -16.629  -1.210  -4.455
  508    HB2  LYS  28           HB3      LYS  28 -14.804  -3.411  -5.427
  509    HB3  LYS  28           HB2      LYS  28 -15.814  -2.462  -6.503
  510    HG2  LYS  28           HG3      LYS  28 -13.635  -1.385  -4.724
  511    HG3  LYS  28           HG2      LYS  28 -13.522  -1.643  -6.464
  512    HD2  LYS  28           HD3      LYS  28 -15.434   0.245  -5.088
  513    HD3  LYS  28           HD2      LYS  28 -13.948   0.711  -5.914
  514    HE2  LYS  28           HE3      LYS  28 -16.302  -0.660  -7.213
  515    HE3  LYS  28           HE2      LYS  28 -15.967   1.067  -7.289
  516    HZ1  LYS  28           HZ1      LYS  28 -14.197  -1.076  -8.338
  517    HZ2  LYS  28           HZ2      LYS  28 -13.898   0.587  -8.424
  518    HZ3  LYS  28           HZ3      LYS  28 -15.200  -0.080  -9.267
  519    H    LYS  29           H        LYS  29 -16.401  -4.734  -4.050
  520    HA   LYS  29           HA       LYS  29 -18.692  -5.410  -5.506
  521    HB2  LYS  29           HB3      LYS  29 -17.472  -6.857  -3.150
  522    HB3  LYS  29           HB2      LYS  29 -18.567  -7.548  -4.335
  523    HG2  LYS  29           HG3      LYS  29 -16.914  -7.221  -6.087
  524    HG3  LYS  29           HG2      LYS  29 -15.819  -6.475  -4.922
  525    HD2  LYS  29           HD3      LYS  29 -15.805  -8.592  -3.644
  526    HD3  LYS  29           HD2      LYS  29 -16.819  -9.321  -4.890
  527    HE2  LYS  29           HE3      LYS  29 -15.054  -8.820  -6.553
  528    HE3  LYS  29           HE2      LYS  29 -14.038  -8.211  -5.250
  529    HZ1  LYS  29           HZ1      LYS  29 -15.067 -10.985  -5.486
  530    HZ2  LYS  29           HZ2      LYS  29 -14.086 -10.404  -4.241
  531    HZ3  LYS  29           HZ3      LYS  29 -13.488 -10.488  -5.818
  532    H    LEU  30           H        LEU  30 -18.261  -4.577  -2.102
  533    HA   LEU  30           HA       LEU  30 -20.890  -5.191  -1.264
  534    HB2  LEU  30           HB3      LEU  30 -18.818  -3.326  -0.137
  535    HB3  LEU  30           HB2      LEU  30 -20.345  -3.656   0.656
  536    HG   LEU  30           HG       LEU  30 -18.199  -5.695   0.056
  537   HD11  LEU  30          HD11      LEU  30 -19.064  -4.426   2.648
  538   HD12  LEU  30          HD12      LEU  30 -17.537  -4.155   1.810
  539   HD13  LEU  30          HD13      LEU  30 -17.901  -5.741   2.485
  540   HD21  LEU  30          HD21      LEU  30 -20.818  -5.952   1.531
  541   HD22  LEU  30          HD22      LEU  30 -19.561  -7.186   1.460
  542   HD23  LEU  30          HD23      LEU  30 -20.404  -6.703  -0.011
  543    H    VAL  31           H        VAL  31 -19.478  -2.316  -2.713
  544    HA   VAL  31           HA       VAL  31 -21.806  -0.696  -2.188
  545    HB   VAL  31           HB       VAL  31 -19.584  -0.085  -4.149
  546   HG11  VAL  31          HG11      VAL  31 -20.208   2.234  -3.772
  547   HG12  VAL  31          HG12      VAL  31 -21.461   1.732  -2.639
  548   HG13  VAL  31          HG13      VAL  31 -21.597   1.309  -4.347
  549   HG21  VAL  31          HG21      VAL  31 -18.506   1.149  -2.334
  550   HG22  VAL  31          HG22      VAL  31 -18.620  -0.573  -1.966
  551   HG23  VAL  31          HG23      VAL  31 -19.735   0.566  -1.211
  552    H    GLY  32           H        GLY  32 -20.702  -2.808  -4.712
  553    HA2  GLY  32           HA3      GLY  32 -22.875  -3.567  -5.925
  554    HA3  GLY  32           HA2      GLY  32 -22.853  -1.904  -6.496
  555    H    GLU  33           H        GLU  33 -20.085  -4.027  -6.009
  556    HA   GLU  33           HA       GLU  33 -18.428  -4.739  -7.375
  557    HB2  GLU  33           HB3      GLU  33 -20.337  -6.147  -8.171
  558    HB3  GLU  33           HB2      GLU  33 -20.616  -4.969  -9.446
  559    HG2  GLU  33           HG3      GLU  33 -18.326  -5.392 -10.280
  560    HG3  GLU  33           HG2      GLU  33 -18.151  -6.652  -9.059
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  23.873   8.892  -7.972
    2    H2   GLY   1           H2       GLY   1  22.474   8.088  -8.477
    3    H3   GLY   1           H3       GLY   1  23.836   7.203  -8.012
    4    HA2  GLY   1           HA2      GLY   1  23.631   8.007  -5.748
    5    HA3  GLY   1           HA3      GLY   1  22.216   8.931  -6.230
    6    H    SER   2           H        SER   2  23.331   6.002  -5.010
    7    HA   SER   2           HA       SER   2  21.167   4.359  -5.938
    8    HB2  SER   2           HB3      SER   2  22.124   2.738  -4.230
    9    HB3  SER   2           HB2      SER   2  23.229   3.246  -5.506
   10    HG   SER   2           HG       SER   2  23.878   3.299  -3.115
   11    H    MET   3           H        MET   3  22.053   5.860  -2.845
   12    HA   MET   3           HA       MET   3  19.850   4.860  -1.398
   13    HB2  MET   3           HB3      MET   3  21.887   6.979  -0.938
   14    HB3  MET   3           HB2      MET   3  20.455   6.973   0.081
   15    HG2  MET   3           HG3      MET   3  22.315   4.636  -0.289
   16    HG3  MET   3           HG2      MET   3  22.353   5.761   1.069
   17    HE1  MET   3           HE1      MET   3  22.162   3.683   2.751
   18    HE2  MET   3           HE2      MET   3  22.115   2.583   1.372
   19    HE3  MET   3           HE3      MET   3  20.895   2.460   2.639
   20    H    LYS   4           H        LYS   4  20.246   7.728  -3.372
   21    HA   LYS   4           HA       LYS   4  17.920   9.070  -2.480
   22    HB2  LYS   4           HB3      LYS   4  19.467   9.216  -5.062
   23    HB3  LYS   4           HB2      LYS   4  18.049  10.209  -4.756
   24    HG2  LYS   4           HG3      LYS   4  20.596  10.209  -3.149
   25    HG3  LYS   4           HG2      LYS   4  20.083  11.444  -4.298
   26    HD2  LYS   4           HD3      LYS   4  18.069  11.828  -2.882
   27    HD3  LYS   4           HD2      LYS   4  18.738  10.706  -1.699
   28    HE2  LYS   4           HE3      LYS   4  19.238  12.971  -1.036
   29    HE3  LYS   4           HE2      LYS   4  20.726  12.149  -1.500
   30    HZ1  LYS   4           HZ1      LYS   4  20.649  13.251  -3.630
   31    HZ2  LYS   4           HZ2      LYS   4  20.596  14.398  -2.392
   32    HZ3  LYS   4           HZ3      LYS   4  19.186  14.001  -3.232
   33    H    GLN   5           H        GLN   5  18.467   7.018  -5.334
   34    HA   GLN   5           HA       GLN   5  15.762   6.988  -6.154
   35    HB2  GLN   5           HB3      GLN   5  18.000   5.040  -6.729
   36    HB3  GLN   5           HB2      GLN   5  16.443   5.038  -7.546
   37    HG2  GLN   5           HG3      GLN   5  16.886   7.249  -8.440
   38    HG3  GLN   5           HG2      GLN   5  18.421   7.307  -7.575
   39   HE21  GLN   5          HE21      GLN   5  20.130   6.042  -8.277
   40   HE22  GLN   5          HE22      GLN   5  20.167   5.337  -9.858
   41    H    LEU   6           H        LEU   6  17.603   5.074  -3.905
   42    HA   LEU   6           HA       LEU   6  15.759   2.939  -3.645
   43    HB2  LEU   6           HB3      LEU   6  18.106   2.763  -2.976
   44    HB3  LEU   6           HB2      LEU   6  17.852   3.949  -1.716
   45    HG   LEU   6           HG       LEU   6  16.239   2.371  -0.644
   46   HD11  LEU   6          HD11      LEU   6  15.694   1.067  -2.650
   47   HD12  LEU   6          HD12      LEU   6  16.253   0.043  -1.330
   48   HD13  LEU   6          HD13      LEU   6  17.335   0.425  -2.670
   49   HD21  LEU   6          HD21      LEU   6  19.055   1.374  -1.056
   50   HD22  LEU   6          HD22      LEU   6  17.981   0.913   0.264
   51   HD23  LEU   6          HD23      LEU   6  18.541   2.579   0.125
   52    H    GLU   7           H        GLU   7  16.231   5.968  -1.851
   53    HA   GLU   7           HA       GLU   7  14.302   5.478   0.125
   54    HB2  GLU   7           HB3      GLU   7  16.134   7.236   0.115
   55    HB3  GLU   7           HB2      GLU   7  15.102   8.179  -0.951
   56    HG2  GLU   7           HG3      GLU   7  13.374   8.240   0.751
   57    HG3  GLU   7           HG2      GLU   7  14.380   7.248   1.803
   58    H    ASP   8           H        ASP   8  14.155   6.958  -3.068
   59    HA   ASP   8           HA       ASP   8  11.536   7.948  -2.931
   60    HB2  ASP   8           HB3      ASP   8  13.336   7.170  -5.190
   61    HB3  ASP   8           HB2      ASP   8  11.647   7.535  -5.521
   62    H    LYS   9           H        LYS   9  12.752   4.750  -3.759
   63    HA   LYS   9           HA       LYS   9  10.385   3.675  -4.801
   64    HB2  LYS   9           HB3      LYS   9  12.676   2.336  -3.363
   65    HB3  LYS   9           HB2      LYS   9  11.370   1.456  -4.146
   66    HG2  LYS   9           HG3      LYS   9  11.982   2.399  -6.288
   67    HG3  LYS   9           HG2      LYS   9  13.249   3.358  -5.522
   68    HD2  LYS   9           HD3      LYS   9  14.393   1.314  -4.837
   69    HD3  LYS   9           HD2      LYS   9  13.115   0.343  -5.571
   70    HE2  LYS   9           HE3      LYS   9  15.045   0.469  -7.041
   71    HE3  LYS   9           HE2      LYS   9  13.665   1.290  -7.763
   72    HZ1  LYS   9           HZ1      LYS   9  15.639   2.600  -8.054
   73    HZ2  LYS   9           HZ2      LYS   9  15.964   2.579  -6.396
   74    HZ3  LYS   9           HZ3      LYS   9  14.606   3.404  -6.982
   75    H    VAL  10           H        VAL  10  11.683   3.422  -1.494
   76    HA   VAL  10           HA       VAL  10   9.398   2.032  -0.512
   77    HB   VAL  10           HB       VAL  10  11.599   1.801   0.540
   78   HG11  VAL  10          HG11      VAL  10  11.227   4.650   1.451
   79   HG12  VAL  10          HG12      VAL  10  12.432   4.065   0.304
   80   HG13  VAL  10          HG13      VAL  10  12.501   3.556   1.991
   81   HG21  VAL  10          HG21      VAL  10  10.884   1.964   2.886
   82   HG22  VAL  10          HG22      VAL  10   9.644   1.258   1.850
   83   HG23  VAL  10          HG23      VAL  10   9.500   2.935   2.380
   84    H    GLU  11           H        GLU  11  10.332   5.446  -0.608
   85    HA   GLU  11           HA       GLU  11   8.223   6.382   1.036
   86    HB2  GLU  11           HB3      GLU  11   9.884   7.722  -1.090
   87    HB3  GLU  11           HB2      GLU  11   8.625   8.574  -0.205
   88    HG2  GLU  11           HG3      GLU  11  10.995   7.212   1.052
   89    HG3  GLU  11           HG2      GLU  11  10.876   8.938   0.717
   90    H    GLU  12           H        GLU  12   8.533   6.014  -2.488
   91    HA   GLU  12           HA       GLU  12   5.931   6.862  -3.113
   92    HB2  GLU  12           HB3      GLU  12   7.848   5.026  -4.512
   93    HB3  GLU  12           HB2      GLU  12   6.250   5.347  -5.167
   94    HG2  GLU  12           HG3      GLU  12   8.397   7.378  -4.606
   95    HG3  GLU  12           HG2      GLU  12   7.883   6.799  -6.190
   96    H    LEU  13           H        LEU  13   7.074   3.641  -2.094
   97    HA   LEU  13           HA       LEU  13   4.512   2.476  -2.410
   98    HB2  LEU  13           HB3      LEU  13   7.091   1.668  -1.282
   99    HB3  LEU  13           HB2      LEU  13   5.688   0.860  -0.596
  100    HG   LEU  13           HG       LEU  13   5.907   1.104  -3.550
  101   HD11  LEU  13          HD11      LEU  13   7.163  -1.012  -3.634
  102   HD12  LEU  13          HD12      LEU  13   7.332  -0.975  -1.879
  103   HD13  LEU  13          HD13      LEU  13   8.103   0.269  -2.865
  104   HD21  LEU  13          HD21      LEU  13   4.804  -1.038  -1.736
  105   HD22  LEU  13          HD22      LEU  13   4.667  -0.982  -3.492
  106   HD23  LEU  13          HD23      LEU  13   3.867   0.241  -2.506
  107    H    LEU  14           H        LEU  14   6.048   4.108   0.358
  108    HA   LEU  14           HA       LEU  14   3.891   3.765   2.131
  109    HB2  LEU  14           HB3      LEU  14   5.709   6.139   1.734
  110    HB3  LEU  14           HB2      LEU  14   4.573   6.001   3.064
  111    HG   LEU  14           HG       LEU  14   7.212   4.688   2.683
  112   HD11  LEU  14          HD11      LEU  14   7.103   6.454   4.282
  113   HD12  LEU  14          HD12      LEU  14   7.206   4.944   5.182
  114   HD13  LEU  14          HD13      LEU  14   5.655   5.767   5.024
  115   HD21  LEU  14          HD21      LEU  14   5.806   2.722   2.729
  116   HD22  LEU  14          HD22      LEU  14   4.951   3.333   4.149
  117   HD23  LEU  14          HD23      LEU  14   6.652   2.890   4.266
  118    H    SER  15           H        SER  15   4.537   6.220  -0.323
  119    HA   SER  15           HA       SER  15   2.223   7.699  -0.178
  120    HB2  SER  15           HB3      SER  15   3.740   6.909  -2.677
  121    HB3  SER  15           HB2      SER  15   2.598   8.247  -2.552
  122    HG   SER  15           HG       SER  15   4.957   8.005  -0.980
  123    H    LYS  16           H        LYS  16   2.781   4.716  -2.128
  124    HA   LYS  16           HA       LYS  16   0.106   4.607  -3.025
  125    HB2  LYS  16           HB3      LYS  16   2.300   2.580  -2.862
  126    HB3  LYS  16           HB2      LYS  16   0.675   2.092  -3.330
  127    HG2  LYS  16           HG3      LYS  16   0.744   3.806  -5.132
  128    HG3  LYS  16           HG2      LYS  16   2.427   4.113  -4.708
  129    HD2  LYS  16           HD3      LYS  16   1.394   1.391  -5.466
  130    HD3  LYS  16           HD2      LYS  16   2.038   2.537  -6.642
  131    HE2  LYS  16           HE3      LYS  16   3.537   1.508  -4.239
  132    HE3  LYS  16           HE2      LYS  16   3.697   0.872  -5.873
  133    HZ1  LYS  16           HZ1      LYS  16   5.447   2.454  -5.346
  134    HZ2  LYS  16           HZ2      LYS  16   4.299   3.664  -5.061
  135    HZ3  LYS  16           HZ3      LYS  16   4.482   3.019  -6.611
  136    H    ASN  17           H        ASN  17   1.665   2.839  -0.329
  137    HA   ASN  17           HA       ASN  17  -0.520   1.335   0.465
  138    HB2  ASN  17           HB3      ASN  17   1.749   0.993   1.322
  139    HB3  ASN  17           HB2      ASN  17   1.662   2.517   2.196
  140   HD21  ASN  17          HD21      ASN  17   1.994   1.576   4.179
  141   HD22  ASN  17          HD22      ASN  17   0.801   0.602   4.963
  142    H    TYR  18           H        TYR  18   0.496   4.450   1.928
  143    HA   TYR  18           HA       TYR  18  -1.726   4.537   3.669
  144    HB2  TYR  18           HB3      TYR  18   0.238   6.655   2.813
  145    HB3  TYR  18           HB2      TYR  18  -1.030   6.948   3.999
  146    HD1  TYR  18           HD1      TYR  18   2.275   5.680   3.461
  147    HD2  TYR  18           HD2      TYR  18  -1.062   5.490   6.092
  148    HE1  TYR  18           HE1      TYR  18   3.728   4.792   5.233
  149    HE2  TYR  18           HE2      TYR  18   0.386   4.604   7.872
  150    HH   TYR  18           HH       TYR  18   2.516   3.405   8.084
  151    H    HIS  19           H        HIS  19  -1.152   6.025   0.501
  152    HA   HIS  19           HA       HIS  19  -3.578   7.550   0.612
  153    HB2  HIS  19           HB3      HIS  19  -1.590   6.993  -1.567
  154    HB3  HIS  19           HB2      HIS  19  -3.115   7.796  -1.920
  155    HD1  HIS  19           HD1      HIS  19  -3.093  10.260  -1.694
  156    HD2  HIS  19           HD2      HIS  19  -0.055   8.476   0.514
  157    HE1  HIS  19           HE1      HIS  19  -1.757  12.157  -0.727
  158    HE2  HIS  19           HE2      HIS  19   0.004  11.056   0.700
  159    H    LEU  20           H        LEU  20  -2.712   4.357  -0.521
  160    HA   LEU  20           HA       LEU  20  -5.140   3.899  -1.920
  161    HB2  LEU  20           HB3      LEU  20  -3.164   2.526  -2.315
  162    HB3  LEU  20           HB2      LEU  20  -3.182   1.981  -0.651
  163    HG   LEU  20           HG       LEU  20  -5.322   0.854  -1.059
  164   HD11  LEU  20          HD11      LEU  20  -6.120   0.566  -3.359
  165   HD12  LEU  20          HD12      LEU  20  -4.890   1.699  -3.919
  166   HD13  LEU  20          HD13      LEU  20  -6.180   2.252  -2.852
  167   HD21  LEU  20          HD21      LEU  20  -4.422  -0.956  -2.423
  168   HD22  LEU  20          HD22      LEU  20  -3.219  -0.357  -1.285
  169   HD23  LEU  20          HD23      LEU  20  -3.132   0.103  -2.984
  170    H    GLU  21           H        GLU  21  -4.013   3.494   1.399
  171    HA   GLU  21           HA       GLU  21  -6.328   2.221   2.397
  172    HB2  GLU  21           HB3      GLU  21  -4.135   2.456   3.600
  173    HB3  GLU  21           HB2      GLU  21  -4.560   4.132   3.918
  174    HG2  GLU  21           HG3      GLU  21  -6.476   3.454   5.204
  175    HG3  GLU  21           HG2      GLU  21  -6.196   1.763   4.792
  176    H    ASN  22           H        ASN  22  -5.574   5.579   1.752
  177    HA   ASN  22           HA       ASN  22  -7.815   6.783   2.946
  178    HB2  ASN  22           HB3      ASN  22  -6.269   7.581   0.473
  179    HB3  ASN  22           HB2      ASN  22  -7.488   8.590   1.238
  180   HD21  ASN  22          HD21      ASN  22  -6.753   7.882   3.936
  181   HD22  ASN  22          HD22      ASN  22  -5.250   8.673   4.255
  182    H    GLU  23           H        GLU  23  -7.359   5.112  -0.073
  183    HA   GLU  23           HA       GLU  23  -9.824   5.898  -1.272
  184    HB2  GLU  23           HB3      GLU  23  -7.885   5.212  -2.609
  185    HB3  GLU  23           HB2      GLU  23  -7.977   3.583  -1.907
  186    HG2  GLU  23           HG3      GLU  23 -10.229   3.347  -2.919
  187    HG3  GLU  23           HG2      GLU  23  -9.999   4.907  -3.708
  188    H    VAL  24           H        VAL  24  -8.741   3.100   0.604
  189    HA   VAL  24           HA       VAL  24 -11.131   1.608   0.223
  190    HB   VAL  24           HB       VAL  24 -10.213  -0.008   1.484
  191   HG11  VAL  24          HG11      VAL  24  -7.759   1.697   1.375
  192   HG12  VAL  24          HG12      VAL  24  -8.408   0.797   0.012
  193   HG13  VAL  24          HG13      VAL  24  -7.838  -0.063   1.443
  194   HG21  VAL  24          HG21      VAL  24 -10.616   1.080   3.617
  195   HG22  VAL  24          HG22      VAL  24  -9.137   2.021   3.428
  196   HG23  VAL  24          HG23      VAL  24  -9.050   0.270   3.612
  197    H    ALA  25           H        ALA  25 -10.082   4.030   2.471
  198    HA   ALA  25           HA       ALA  25 -12.181   3.841   4.333
  199    HB1  ALA  25           HB1      ALA  25 -10.124   5.142   4.715
  200    HB2  ALA  25           HB2      ALA  25 -11.584   6.085   5.012
  201    HB3  ALA  25           HB3      ALA  25 -10.673   6.320   3.523
  202    H    ARG  26           H        ARG  26 -11.925   5.382   1.204
  203    HA   ARG  26           HA       ARG  26 -14.301   6.906   1.292
  204    HB2  ARG  26           HB3      ARG  26 -12.981   5.618  -1.109
  205    HB3  ARG  26           HB2      ARG  26 -14.192   6.890  -1.166
  206    HG2  ARG  26           HG3      ARG  26 -11.409   7.116  -0.038
  207    HG3  ARG  26           HG2      ARG  26 -11.994   7.802  -1.555
  208    HD2  ARG  26           HD2      ARG  26 -13.636   9.139  -0.252
  209    HD3  ARG  26           HD1      ARG  26 -12.897   8.530   1.228
  210    HE   ARG  26           HE       ARG  26 -10.886   9.650  -0.360
  211   HH11  ARG  26          HH11      ARG  26 -13.707  10.653   1.451
  212   HH12  ARG  26          HH12      ARG  26 -13.091  12.240   1.777
  213   HH21  ARG  26          HH21      ARG  26 -10.077  11.739   0.059
  214   HH22  ARG  26          HH22      ARG  26 -11.024  12.860   0.984
  215    H    LEU  27           H        LEU  27 -13.618   3.695  -0.048
  216    HA   LEU  27           HA       LEU  27 -16.220   2.998  -0.769
  217    HB2  LEU  27           HB3      LEU  27 -13.982   1.207   0.178
  218    HB3  LEU  27           HB2      LEU  27 -15.440   0.678  -0.627
  219    HG   LEU  27           HG       LEU  27 -13.696   2.648  -1.998
  220   HD11  LEU  27          HD11      LEU  27 -12.334   0.943  -2.937
  221   HD12  LEU  27          HD12      LEU  27 -13.260  -0.317  -2.125
  222   HD13  LEU  27          HD13      LEU  27 -12.254   0.781  -1.182
  223   HD21  LEU  27          HD21      LEU  27 -15.497   0.414  -2.894
  224   HD22  LEU  27          HD22      LEU  27 -14.582   1.472  -3.970
  225   HD23  LEU  27          HD23      LEU  27 -15.860   2.140  -2.954
  226    H    LYS  28           H        LYS  28 -14.488   2.582   2.268
  227    HA   LYS  28           HA       LYS  28 -16.306   1.095   3.710
  228    HB2  LYS  28           HB3      LYS  28 -14.060   1.760   4.499
  229    HB3  LYS  28           HB2      LYS  28 -14.636   3.404   4.723
  230    HG2  LYS  28           HG3      LYS  28 -14.558   2.273   6.840
  231    HG3  LYS  28           HG2      LYS  28 -16.239   2.586   6.404
  232    HD2  LYS  28           HD3      LYS  28 -16.481   0.281   5.644
  233    HD3  LYS  28           HD2      LYS  28 -14.788  -0.035   6.037
  234    HE2  LYS  28           HE3      LYS  28 -15.231   0.409   8.384
  235    HE3  LYS  28           HE2      LYS  28 -16.907   0.799   8.012
  236    HZ1  LYS  28           HZ1      LYS  28 -15.601  -1.844   7.679
  237    HZ2  LYS  28           HZ2      LYS  28 -17.184  -1.488   7.204
  238    HZ3  LYS  28           HZ3      LYS  28 -16.762  -1.430   8.840
  239    H    LYS  29           H        LYS  29 -16.330   4.591   3.112
  240    HA   LYS  29           HA       LYS  29 -18.536   5.126   4.826
  241    HB2  LYS  29           HB3      LYS  29 -17.593   6.806   2.501
  242    HB3  LYS  29           HB2      LYS  29 -18.486   7.338   3.911
  243    HG2  LYS  29           HG3      LYS  29 -15.628   6.417   3.821
  244    HG3  LYS  29           HG2      LYS  29 -16.214   8.052   4.115
  245    HD2  LYS  29           HD3      LYS  29 -16.741   5.678   5.901
  246    HD3  LYS  29           HD2      LYS  29 -15.489   6.889   6.175
  247    HE2  LYS  29           HE3      LYS  29 -17.175   8.621   6.373
  248    HE3  LYS  29           HE2      LYS  29 -18.447   7.453   6.014
  249    HZ1  LYS  29           HZ1      LYS  29 -18.274   7.859   8.381
  250    HZ2  LYS  29           HZ2      LYS  29 -16.650   7.385   8.376
  251    HZ3  LYS  29           HZ3      LYS  29 -17.864   6.255   8.025
  252    H    LEU  30           H        LEU  30 -18.150   4.321   1.445
  253    HA   LEU  30           HA       LEU  30 -20.846   4.919   0.713
  254    HB2  LEU  30           HB3      LEU  30 -18.514   3.622  -0.601
  255    HB3  LEU  30           HB2      LEU  30 -20.102   3.316  -1.272
  256    HG   LEU  30           HG       LEU  30 -18.902   5.119  -2.439
  257   HD11  LEU  30          HD11      LEU  30 -20.700   6.688  -2.544
  258   HD12  LEU  30          HD12      LEU  30 -21.297   6.192  -0.966
  259   HD13  LEU  30          HD13      LEU  30 -21.381   5.077  -2.328
  260   HD21  LEU  30          HD21      LEU  30 -17.612   6.013  -0.594
  261   HD22  LEU  30          HD22      LEU  30 -19.087   6.580   0.188
  262   HD23  LEU  30          HD23      LEU  30 -18.576   7.283  -1.346
  263    H    VAL  31           H        VAL  31 -19.151   2.107   1.907
  264    HA   VAL  31           HA       VAL  31 -21.172   0.218   1.285
  265    HB   VAL  31           HB       VAL  31 -19.024   0.091   3.421
  266   HG11  VAL  31          HG11      VAL  31 -19.434  -2.322   3.446
  267   HG12  VAL  31          HG12      VAL  31 -20.786  -2.104   2.334
  268   HG13  VAL  31          HG13      VAL  31 -20.862  -1.423   3.959
  269   HG21  VAL  31          HG21      VAL  31 -19.163  -1.079   0.646
  270   HG22  VAL  31          HG22      VAL  31 -17.884  -1.381   1.822
  271   HG23  VAL  31          HG23      VAL  31 -18.121   0.243   1.176
  272    H    GLY  32           H        GLY  32 -20.710   2.448   3.968
  273    HA2  GLY  32           HA3      GLY  32 -23.345   2.538   4.721
  274    HA3  GLY  32           HA2      GLY  32 -22.682   1.191   5.628
  275    H    GLU  33           H        GLU  33 -21.236   4.309   4.764
  276    HA   GLU  33           HA       GLU  33 -20.383   6.005   5.996
  277    HB2  GLU  33           HB3      GLU  33 -22.457   5.154   8.022
  278    HB3  GLU  33           HB2      GLU  33 -21.615   6.697   7.997
  279    HG2  GLU  33           HG3      GLU  33 -22.644   7.214   5.836
  280    HG3  GLU  33           HG2      GLU  33 -23.499   5.675   5.883
  281    H1   GLY   1           H1       GLY   1  23.888  -9.158   7.223
  282    H2   GLY   1           H2       GLY   1  22.497  -8.355   7.746
  283    H3   GLY   1           H3       GLY   1  23.860  -7.470   7.289
  284    HA2  GLY   1           HA2      GLY   1  23.641  -8.234   5.017
  285    HA3  GLY   1           HA3      GLY   1  22.228  -9.167   5.490
  286    H    SER   2           H        SER   2  23.340  -6.217   4.313
  287    HA   SER   2           HA       SER   2  21.179  -4.589   5.277
  288    HB2  SER   2           HB3      SER   2  22.129  -2.941   3.581
  289    HB3  SER   2           HB2      SER   2  23.227  -3.456   4.860
  290    HG   SER   2           HG       SER   2  23.856  -3.493   2.443
  291    H    MET   3           H        MET   3  22.055  -6.040   2.154
  292    HA   MET   3           HA       MET   3  19.845  -5.019   0.731
  293    HB2  MET   3           HB3      MET   3  21.881  -7.130   0.229
  294    HB3  MET   3           HB2      MET   3  20.445  -7.108  -0.785
  295    HG2  MET   3           HG3      MET   3  22.309  -4.780  -0.381
  296    HG3  MET   3           HG2      MET   3  22.339  -5.879  -1.760
  297    HE1  MET   3           HE1      MET   3  22.146  -3.782  -3.410
  298    HE2  MET   3           HE2      MET   3  22.113  -2.699  -2.019
  299    HE3  MET   3           HE3      MET   3  20.884  -2.555  -3.277
  300    H    LYS   4           H        LYS   4  20.248  -7.917   2.657
  301    HA   LYS   4           HA       LYS   4  17.922  -9.246   1.749
  302    HB2  LYS   4           HB3      LYS   4  19.476  -9.431   4.324
  303    HB3  LYS   4           HB2      LYS   4  18.057 -10.420   4.009
  304    HG2  LYS   4           HG3      LYS   4  20.599 -10.396   2.393
  305    HG3  LYS   4           HG2      LYS   4  20.087 -11.648   3.526
  306    HD2  LYS   4           HD3      LYS   4  18.070 -12.014   2.112
  307    HD3  LYS   4           HD2      LYS   4  18.735 -10.872   0.944
  308    HE2  LYS   4           HE3      LYS   4  19.236 -13.129   0.247
  309    HE3  LYS   4           HE2      LYS   4  20.724 -12.307   0.713
  310    HZ1  LYS   4           HZ1      LYS   4  20.663 -13.437   2.834
  311    HZ2  LYS   4           HZ2      LYS   4  20.612 -14.570   1.580
  312    HZ3  LYS   4           HZ3      LYS   4  19.204 -14.191   2.431
  313    H    GLN   5           H        GLN   5  18.478  -7.242   4.634
  314    HA   GLN   5           HA       GLN   5  15.775  -7.223   5.461
  315    HB2  GLN   5           HB3      GLN   5  18.014  -5.286   6.061
  316    HB3  GLN   5           HB2      GLN   5  16.462  -5.299   6.884
  317    HG2  GLN   5           HG3      GLN   5  16.908  -7.526   7.735
  318    HG3  GLN   5           HG2      GLN   5  18.442  -7.566   6.867
  319   HE21  GLN   5          HE21      GLN   5  20.149  -6.306   7.588
  320   HE22  GLN   5          HE22      GLN   5  20.185  -5.626   9.179
  321    H    LEU   6           H        LEU   6  17.605  -5.280   3.231
  322    HA   LEU   6           HA       LEU   6  15.763  -3.134   3.023
  323    HB2  LEU   6           HB3      LEU   6  18.108  -2.944   2.347
  324    HB3  LEU   6           HB2      LEU   6  17.853  -4.111   1.070
  325    HG   LEU   6           HG       LEU   6  16.232  -2.517   0.027
  326   HD11  LEU   6          HD11      LEU   6  15.697  -1.247   2.058
  327   HD12  LEU   6          HD12      LEU   6  16.249  -0.200   0.752
  328   HD13  LEU   6          HD13      LEU   6  17.339  -0.602   2.079
  329   HD21  LEU   6          HD21      LEU   6  19.053  -1.529   0.443
  330   HD22  LEU   6          HD22      LEU   6  17.972  -1.047  -0.865
  331   HD23  LEU   6          HD23      LEU   6  18.532  -2.714  -0.754
  332    H    GLU   7           H        GLU   7  16.230  -6.130   1.172
  333    HA   GLU   7           HA       GLU   7  14.287  -5.613  -0.783
  334    HB2  GLU   7           HB3      GLU   7  16.122  -7.371  -0.814
  335    HB3  GLU   7           HB2      GLU   7  15.098  -8.331   0.242
  336    HG2  GLU   7           HG3      GLU   7  13.360  -8.371  -1.450
  337    HG3  GLU   7           HG2      GLU   7  14.356  -7.356  -2.489
  338    H    ASP   8           H        ASP   8  14.156  -7.147   2.386
  339    HA   ASP   8           HA       ASP   8  11.539  -8.139   2.242
  340    HB2  ASP   8           HB3      ASP   8  13.346  -7.396   4.508
  341    HB3  ASP   8           HB2      ASP   8  11.656  -7.761   4.838
  342    H    LYS   9           H        LYS   9  12.752  -4.949   3.117
  343    HA   LYS   9           HA       LYS   9  10.388  -3.889   4.184
  344    HB2  LYS   9           HB3      LYS   9  12.677  -2.536   2.756
  345    HB3  LYS   9           HB2      LYS   9  11.376  -1.661   3.553
  346    HG2  LYS   9           HG3      LYS   9  11.989  -2.630   5.682
  347    HG3  LYS   9           HG2      LYS   9  13.254  -3.585   4.905
  348    HD2  LYS   9           HD3      LYS   9  14.399  -1.532   4.240
  349    HD3  LYS   9           HD2      LYS   9  13.124  -0.570   4.994
  350    HE2  LYS   9           HE3      LYS   9  15.058  -0.720   6.457
  351    HE3  LYS   9           HE2      LYS   9  13.679  -1.554   7.169
  352    HZ1  LYS   9           HZ1      LYS   9  15.655  -2.864   7.434
  353    HZ2  LYS   9           HZ2      LYS   9  15.975  -2.821   5.776
  354    HZ3  LYS   9           HZ3      LYS   9  14.623  -3.655   6.355
  355    H    VAL  10           H        VAL  10  11.680  -3.584   0.879
  356    HA   VAL  10           HA       VAL  10   9.393  -2.185  -0.074
  357    HB   VAL  10           HB       VAL  10  11.585  -1.935  -1.132
  358   HG11  VAL  10          HG11      VAL  10  11.216  -4.772  -2.084
  359   HG12  VAL  10          HG12      VAL  10  12.424  -4.203  -0.931
  360   HG13  VAL  10          HG13      VAL  10  12.485  -3.667  -2.611
  361   HG21  VAL  10          HG21      VAL  10  10.861  -2.070  -3.477
  362   HG22  VAL  10          HG22      VAL  10   9.625  -1.379  -2.428
  363   HG23  VAL  10          HG23      VAL  10   9.480  -3.048  -2.977
  364    H    GLU  11           H        GLU  11  10.324  -5.597  -0.037
  365    HA   GLU  11           HA       GLU  11   8.209  -6.510  -1.688
  366    HB2  GLU  11           HB3      GLU  11   9.875  -7.880   0.414
  367    HB3  GLU  11           HB2      GLU  11   8.616  -8.719  -0.480
  368    HG2  GLU  11           HG3      GLU  11  10.980  -7.337  -1.722
  369    HG3  GLU  11           HG2      GLU  11  10.866  -9.068  -1.410
  370    H    GLU  12           H        GLU  12   8.529  -6.192   1.840
  371    HA   GLU  12           HA       GLU  12   5.929  -7.052   2.460
  372    HB2  GLU  12           HB3      GLU  12   7.850  -5.241   3.883
  373    HB3  GLU  12           HB2      GLU  12   6.252  -5.575   4.537
  374    HG2  GLU  12           HG3      GLU  12   8.399  -7.596   3.933
  375    HG3  GLU  12           HG2      GLU  12   7.897  -7.038   5.529
  376    H    LEU  13           H        LEU  13   7.070  -3.815   1.492
  377    HA   LEU  13           HA       LEU  13   4.510  -2.659   1.831
  378    HB2  LEU  13           HB3      LEU  13   7.088  -1.833   0.710
  379    HB3  LEU  13           HB2      LEU  13   5.685  -1.016   0.038
  380    HG   LEU  13           HG       LEU  13   5.908  -1.300   2.988
  381   HD11  LEU  13          HD11      LEU  13   7.162   0.817   3.098
  382   HD12  LEU  13          HD12      LEU  13   7.328   0.805   1.343
  383   HD13  LEU  13          HD13      LEU  13   8.101  -0.450   2.310
  384   HD21  LEU  13          HD21      LEU  13   4.799   0.865   1.205
  385   HD22  LEU  13          HD22      LEU  13   4.667   0.786   2.961
  386   HD23  LEU  13          HD23      LEU  13   3.865  -0.423   1.962
  387    H    LEU  14           H        LEU  14   6.033  -4.253  -0.968
  388    HA   LEU  14           HA       LEU  14   3.873  -3.877  -2.730
  389    HB2  LEU  14           HB3      LEU  14   5.694  -6.254  -2.373
  390    HB3  LEU  14           HB2      LEU  14   4.556  -6.097  -3.699
  391    HG   LEU  14           HG       LEU  14   7.197  -4.791  -3.305
  392   HD11  LEU  14          HD11      LEU  14   7.080  -6.533  -4.933
  393   HD12  LEU  14          HD12      LEU  14   7.179  -5.008  -5.811
  394   HD13  LEU  14          HD13      LEU  14   5.629  -5.834  -5.658
  395   HD21  LEU  14          HD21      LEU  14   5.792  -2.825  -3.315
  396   HD22  LEU  14          HD22      LEU  14   4.930  -3.413  -4.740
  397   HD23  LEU  14          HD23      LEU  14   6.631  -2.969  -4.859
  398    H    SER  15           H        SER  15   4.525  -6.365  -0.317
  399    HA   SER  15           HA       SER  15   2.211  -7.845  -0.477
  400    HB2  SER  15           HB3      SER  15   3.736  -7.101   2.032
  401    HB3  SER  15           HB2      SER  15   2.602  -8.443   1.879
  402    HG   SER  15           HG       SER  15   4.957  -8.147   0.311
  403    H    LYS  16           H        LYS  16   2.778  -4.890   1.515
  404    HA   LYS  16           HA       LYS  16   0.103  -4.798   2.426
  405    HB2  LYS  16           HB3      LYS  16   2.297  -2.766   2.287
  406    HB3  LYS  16           HB2      LYS  16   0.675  -2.288   2.770
  407    HG2  LYS  16           HG3      LYS  16   0.750  -4.028   4.543
  408    HG3  LYS  16           HG2      LYS  16   2.433  -4.331   4.108
  409    HD2  LYS  16           HD3      LYS  16   1.401  -1.622   4.921
  410    HD3  LYS  16           HD2      LYS  16   2.059  -2.788   6.070
  411    HE2  LYS  16           HE3      LYS  16   3.538  -1.711   3.674
  412    HE3  LYS  16           HE2      LYS  16   3.707  -1.102   5.318
  413    HZ1  LYS  16           HZ1      LYS  16   5.453  -2.672   4.749
  414    HZ2  LYS  16           HZ2      LYS  16   4.305  -3.878   4.455
  415    HZ3  LYS  16           HZ3      LYS  16   4.502  -3.259   6.014
  416    H    ASN  17           H        ASN  17   1.656  -2.982  -0.244
  417    HA   ASN  17           HA       ASN  17  -0.530  -1.472  -1.010
  418    HB2  ASN  17           HB3      ASN  17   1.736  -1.118  -1.870
  419    HB3  ASN  17           HB2      ASN  17   1.643  -2.627  -2.770
  420   HD21  ASN  17          HD21      ASN  17   1.962  -1.653  -4.742
  421   HD22  ASN  17          HD22      ASN  17   0.764  -0.660  -5.499
  422    H    TYR  18           H        TYR  18   0.478  -4.564  -2.520
  423    HA   TYR  18           HA       TYR  18  -1.748  -4.626  -4.260
  424    HB2  TYR  18           HB3      TYR  18   0.220  -6.754  -3.439
  425    HB3  TYR  18           HB2      TYR  18  -1.049  -7.032  -4.627
  426    HD1  TYR  18           HD1      TYR  18   2.256  -5.769  -4.081
  427    HD2  TYR  18           HD2      TYR  18  -1.093  -5.542  -6.694
  428    HE1  TYR  18           HE1      TYR  18   3.700  -4.856  -5.845
  429    HE2  TYR  18           HE2      TYR  18   0.346  -4.629  -8.465
  430    HH   TYR  18           HH       TYR  18   2.482  -3.431  -8.674
  431    H    HIS  19           H        HIS  19  -1.165  -6.154  -1.113
  432    HA   HIS  19           HA       HIS  19  -3.591  -7.684  -1.242
  433    HB2  HIS  19           HB3      HIS  19  -1.595  -7.165   0.939
  434    HB3  HIS  19           HB2      HIS  19  -3.120  -7.972   1.287
  435    HD1  HIS  19           HD1      HIS  19  -3.107 -10.431   1.016
  436    HD2  HIS  19           HD2      HIS  19  -0.064  -8.614  -1.160
  437    HE1  HIS  19           HE1      HIS  19  -1.766 -12.314   0.023
  438    HE2  HIS  19           HE2      HIS  19  -0.012 -11.190  -1.393
  439    H    LEU  20           H        LEU  20  -2.720  -4.508  -0.062
  440    HA   LEU  20           HA       LEU  20  -5.142  -4.075   1.356
  441    HB2  LEU  20           HB3      LEU  20  -3.164  -2.710   1.766
  442    HB3  LEU  20           HB2      LEU  20  -3.189  -2.141   0.109
  443    HG   LEU  20           HG       LEU  20  -5.328  -1.021   0.541
  444   HD11  LEU  20          HD11      LEU  20  -6.118  -0.768   2.849
  445   HD12  LEU  20          HD12      LEU  20  -4.886  -1.911   3.386
  446   HD13  LEU  20          HD13      LEU  20  -6.180  -2.447   2.314
  447   HD21  LEU  20          HD21      LEU  20  -4.425   0.772   1.930
  448   HD22  LEU  20          HD22      LEU  20  -3.225   0.193   0.776
  449   HD23  LEU  20          HD23      LEU  20  -3.129  -0.293   2.467
  450    H    GLU  21           H        GLU  21  -4.030  -3.626  -1.962
  451    HA   GLU  21           HA       GLU  21  -6.347  -2.336  -2.932
  452    HB2  GLU  21           HB3      GLU  21  -4.155  -2.548  -4.145
  453    HB3  GLU  21           HB2      GLU  21  -4.582  -4.219  -4.494
  454    HG2  GLU  21           HG3      GLU  21  -6.504  -3.515  -5.757
  455    HG3  GLU  21           HG2      GLU  21  -6.220  -1.833  -5.315
  456    H    ASN  22           H        ASN  22  -5.588  -5.701  -2.343
  457    HA   ASN  22           HA       ASN  22  -7.831  -6.886  -3.551
  458    HB2  ASN  22           HB3      ASN  22  -6.267  -7.723  -1.102
  459    HB3  ASN  22           HB2      ASN  22  -7.491  -8.722  -1.874
  460   HD21  ASN  22          HD21      ASN  22  -6.774  -7.971  -4.570
  461   HD22  ASN  22          HD22      ASN  22  -5.274  -8.759  -4.910
  462    H    GLU  23           H        GLU  23  -7.366  -5.260  -0.510
  463    HA   GLU  23           HA       GLU  23  -9.826  -6.068   0.688
  464    HB2  GLU  23           HB3      GLU  23  -7.883  -5.398   2.034
  465    HB3  GLU  23           HB2      GLU  23  -7.980  -3.758   1.360
  466    HG2  GLU  23           HG3      GLU  23 -10.233  -3.543   2.376
  467    HG3  GLU  23           HG2      GLU  23 -10.004  -5.118   3.135
  468    H    VAL  24           H        VAL  24  -8.751  -3.241  -1.150
  469    HA   VAL  24           HA       VAL  24 -11.140  -1.759  -0.733
  470    HB   VAL  24           HB       VAL  24 -10.227  -0.120  -1.969
  471   HG11  VAL  24          HG11      VAL  24  -7.772  -1.827  -1.901
  472   HG12  VAL  24          HG12      VAL  24  -8.415  -0.948  -0.523
  473   HG13  VAL  24          HG13      VAL  24  -7.850  -0.065  -1.943
  474   HG21  VAL  24          HG21      VAL  24 -10.643  -1.171  -4.120
  475   HG22  VAL  24          HG22      VAL  24  -9.165  -2.116  -3.955
  476   HG23  VAL  24          HG23      VAL  24  -9.077  -0.361  -4.109
  477    H    ALA  25           H        ALA  25 -10.099  -4.143  -3.028
  478    HA   ALA  25           HA       ALA  25 -12.212  -3.921  -4.875
  479    HB1  ALA  25           HB1      ALA  25 -10.156  -5.213  -5.291
  480    HB2  ALA  25           HB2      ALA  25 -11.618  -6.151  -5.597
  481    HB3  ALA  25           HB3      ALA  25 -10.697  -6.411  -4.118
  482    H    ARG  26           H        ARG  26 -11.938  -5.517  -1.772
  483    HA   ARG  26           HA       ARG  26 -14.316  -7.039  -1.874
  484    HB2  ARG  26           HB3      ARG  26 -12.988  -5.789   0.543
  485    HB3  ARG  26           HB2      ARG  26 -14.198  -7.062   0.584
  486    HG2  ARG  26           HG3      ARG  26 -11.420  -7.267  -0.559
  487    HG3  ARG  26           HG2      ARG  26 -11.998  -7.978   0.948
  488    HD2  ARG  26           HD2      ARG  26 -13.642  -9.296  -0.367
  489    HD3  ARG  26           HD1      ARG  26 -12.912  -8.660  -1.841
  490    HE   ARG  26           HE       ARG  26 -10.888  -9.800  -0.284
  491   HH11  ARG  26          HH11      ARG  26 -13.707 -10.784  -2.106
  492   HH12  ARG  26          HH12      ARG  26 -13.093 -12.372  -2.441
  493   HH21  ARG  26          HH21      ARG  26 -10.079 -11.886  -0.716
  494   HH22  ARG  26          HH22      ARG  26 -11.032 -13.002  -1.646
  495    H    LEU  27           H        LEU  27 -13.626  -3.846  -0.491
  496    HA   LEU  27           HA       LEU  27 -16.229  -3.166   0.253
  497    HB2  LEU  27           HB3      LEU  27 -13.994  -1.359  -0.672
  498    HB3  LEU  27           HB2      LEU  27 -15.450  -0.838   0.141
  499    HG   LEU  27           HG       LEU  27 -13.700  -2.827   1.482
  500   HD11  LEU  27          HD11      LEU  27 -12.337  -1.132   2.440
  501   HD12  LEU  27          HD12      LEU  27 -13.269   0.137   1.648
  502   HD13  LEU  27          HD13      LEU  27 -12.263  -0.948   0.687
  503   HD21  LEU  27          HD21      LEU  27 -15.505  -0.607   2.416
  504   HD22  LEU  27          HD22      LEU  27 -14.584  -1.680   3.474
  505   HD23  LEU  27          HD23      LEU  27 -15.863  -2.336   2.453
  506    H    LYS  28           H        LYS  28 -14.508  -2.703  -2.784
  507    HA   LYS  28           HA       LYS  28 -16.330  -1.192  -4.201
  508    HB2  LYS  28           HB3      LYS  28 -14.086  -1.841  -5.006
  509    HB3  LYS  28           HB2      LYS  28 -14.660  -3.482  -5.252
  510    HG2  LYS  28           HG3      LYS  28 -14.594  -2.322  -7.354
  511    HG3  LYS  28           HG2      LYS  28 -16.271  -2.644  -6.913
  512    HD2  LYS  28           HD3      LYS  28 -16.512  -0.350  -6.118
  513    HD3  LYS  28           HD2      LYS  28 -14.825  -0.025  -6.518
  514    HE2  LYS  28           HE3      LYS  28 -15.287  -0.443  -8.869
  515    HE3  LYS  28           HE2      LYS  28 -16.964  -0.830  -8.486
  516    HZ1  LYS  28           HZ1      LYS  28 -15.638   1.799  -8.132
  517    HZ2  LYS  28           HZ2      LYS  28 -17.218   1.450  -7.648
  518    HZ3  LYS  28           HZ3      LYS  28 -16.809   1.412  -9.287
  519    H    LYS  29           H        LYS  29 -16.357  -4.690  -3.651
  520    HA   LYS  29           HA       LYS  29 -18.565  -5.200  -5.367
  521    HB2  LYS  29           HB3      LYS  29 -17.612  -6.913  -3.073
  522    HB3  LYS  29           HB2      LYS  29 -18.508  -7.424  -4.488
  523    HG2  LYS  29           HG3      LYS  29 -15.650  -6.504  -4.390
  524    HG3  LYS  29           HG2      LYS  29 -16.238  -8.135  -4.709
  525    HD2  LYS  29           HD3      LYS  29 -16.767  -5.733  -6.454
  526    HD3  LYS  29           HD2      LYS  29 -15.515  -6.940  -6.750
  527    HE2  LYS  29           HE3      LYS  29 -17.202  -8.669  -6.974
  528    HE3  LYS  29           HE2      LYS  29 -18.471  -7.507  -6.588
  529    HZ1  LYS  29           HZ1      LYS  29 -18.308  -7.872  -8.966
  530    HZ2  LYS  29           HZ2      LYS  29 -16.687  -7.390  -8.958
  531    HZ3  LYS  29           HZ3      LYS  29 -17.903  -6.273  -8.582
  532    H    LEU  30           H        LEU  30 -18.161  -4.459  -1.974
  533    HA   LEU  30           HA       LEU  30 -20.859  -5.057  -1.238
  534    HB2  LEU  30           HB3      LEU  30 -18.525  -3.774   0.090
  535    HB3  LEU  30           HB2      LEU  30 -20.113  -3.489   0.768
  536    HG   LEU  30           HG       LEU  30 -18.904  -5.309   1.903
  537   HD11  LEU  30          HD11      LEU  30 -20.700  -6.880   1.984
  538   HD12  LEU  30          HD12      LEU  30 -21.300  -6.361   0.415
  539   HD13  LEU  30          HD13      LEU  30 -21.384  -5.266   1.795
  540   HD21  LEU  30          HD21      LEU  30 -17.616  -6.172   0.037
  541   HD22  LEU  30          HD22      LEU  30 -19.095  -6.726  -0.749
  542   HD23  LEU  30          HD23      LEU  30 -18.579  -7.455   0.771
  543    H    VAL  31           H        VAL  31 -19.171  -2.230  -2.397
  544    HA   VAL  31           HA       VAL  31 -21.189  -0.350  -1.737
  545    HB   VAL  31           HB       VAL  31 -19.050  -0.193  -3.879
  546   HG11  VAL  31          HG11      VAL  31 -19.456   2.219  -3.864
  547   HG12  VAL  31          HG12      VAL  31 -20.807   1.983  -2.753
  548   HG13  VAL  31          HG13      VAL  31 -20.885   1.327  -4.388
  549   HG21  VAL  31          HG21      VAL  31 -19.177   0.927  -1.088
  550   HG22  VAL  31          HG22      VAL  31 -17.902   1.250  -2.263
  551   HG23  VAL  31          HG23      VAL  31 -18.138  -0.385  -1.643
  552    H    GLY  32           H        GLY  32 -20.734  -2.542  -4.458
  553    HA2  GLY  32           HA3      GLY  32 -23.373  -2.615  -5.210
  554    HA3  GLY  32           HA2      GLY  32 -22.709  -1.255  -6.096
  555    H    GLU  33           H        GLU  33 -21.256  -4.384  -5.284
  556    HA   GLU  33           HA       GLU  33 -20.418  -6.067  -6.538
  557    HB2  GLU  33           HB3      GLU  33 -22.494  -5.186  -8.552
  558    HB3  GLU  33           HB2      GLU  33 -21.651  -6.729  -8.553
  559    HG2  GLU  33           HG3      GLU  33 -22.669  -7.285  -6.402
  560    HG3  GLU  33           HG2      GLU  33 -23.522  -5.742  -6.412
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  25.907  -1.167  -5.612
    2    H2   GLY   1           H2       GLY   1  26.420  -1.899  -4.176
    3    H3   GLY   1           H3       GLY   1  26.364  -0.212  -4.295
    4    HA2  GLY   1           HA2      GLY   1  24.018  -2.019  -4.394
    5    HA3  GLY   1           HA3      GLY   1  24.501  -1.052  -3.007
    6    H    SER   2           H        SER   2  22.037  -0.602  -3.770
    7    HA   SER   2           HA       SER   2  22.190   2.075  -4.917
    8    HB2  SER   2           HB3      SER   2  20.247  -0.019  -5.924
    9    HB3  SER   2           HB2      SER   2  20.309   1.669  -6.436
   10    HG   SER   2           HG       SER   2  22.746   0.611  -6.688
   11    H    MET   3           H        MET   3  21.967   1.682  -2.319
   12    HA   MET   3           HA       MET   3  19.393   1.218  -1.270
   13    HB2  MET   3           HB3      MET   3  21.475   1.143   0.067
   14    HB3  MET   3           HB2      MET   3  21.637   2.884  -0.111
   15    HG2  MET   3           HG3      MET   3  19.573   3.223   1.124
   16    HG3  MET   3           HG2      MET   3  19.361   1.479   1.267
   17    HE1  MET   3           HE1      MET   3  19.103   1.718   3.921
   18    HE2  MET   3           HE2      MET   3  19.285   3.463   3.743
   19    HE3  MET   3           HE3      MET   3  20.260   2.590   4.925
   20    H    LYS   4           H        LYS   4  20.936   4.067  -2.570
   21    HA   LYS   4           HA       LYS   4  19.200   6.051  -1.647
   22    HB2  LYS   4           HB3      LYS   4  21.274   6.610  -2.766
   23    HB3  LYS   4           HB2      LYS   4  20.728   5.844  -4.249
   24    HG2  LYS   4           HG3      LYS   4  20.556   8.209  -4.506
   25    HG3  LYS   4           HG2      LYS   4  18.928   7.541  -4.406
   26    HD2  LYS   4           HD3      LYS   4  18.959   9.512  -3.075
   27    HD3  LYS   4           HD2      LYS   4  18.942   8.141  -1.965
   28    HE2  LYS   4           HE3      LYS   4  20.519   9.849  -1.229
   29    HE3  LYS   4           HE2      LYS   4  21.352   8.356  -1.651
   30    HZ1  LYS   4           HZ1      LYS   4  22.037   9.300  -3.719
   31    HZ2  LYS   4           HZ2      LYS   4  22.444  10.393  -2.496
   32    HZ3  LYS   4           HZ3      LYS   4  21.098  10.684  -3.473
   33    H    GLN   5           H        GLN   5  19.033   4.039  -4.559
   34    HA   GLN   5           HA       GLN   5  16.676   5.166  -5.616
   35    HB2  GLN   5           HB3      GLN   5  17.763   2.367  -5.972
   36    HB3  GLN   5           HB2      GLN   5  16.557   3.137  -6.993
   37    HG2  GLN   5           HG3      GLN   5  18.189   4.798  -7.693
   38    HG3  GLN   5           HG2      GLN   5  19.400   4.061  -6.644
   39   HE21  GLN   5          HE21      GLN   5  20.789   3.591  -8.310
   40   HE22  GLN   5          HE22      GLN   5  20.463   2.365  -9.484
   41    H    LEU   6           H        LEU   6  17.278   2.476  -3.429
   42    HA   LEU   6           HA       LEU   6  14.629   1.533  -3.297
   43    HB2  LEU   6           HB3      LEU   6  17.079   1.189  -1.658
   44    HB3  LEU   6           HB2      LEU   6  15.552   0.774  -0.910
   45    HG   LEU   6           HG       LEU   6  16.626  -1.193  -1.873
   46   HD11  LEU   6          HD11      LEU   6  14.180  -1.075  -1.797
   47   HD12  LEU   6          HD12      LEU   6  14.755  -2.032  -3.161
   48   HD13  LEU   6          HD13      LEU   6  14.167  -0.391  -3.422
   49   HD21  LEU   6          HD21      LEU   6  16.372   0.247  -4.511
   50   HD22  LEU   6          HD22      LEU   6  16.874  -1.430  -4.294
   51   HD23  LEU   6          HD23      LEU   6  17.876  -0.121  -3.666
   52    H    GLU   7           H        GLU   7  16.330   4.045  -1.499
   53    HA   GLU   7           HA       GLU   7  14.415   4.511   0.493
   54    HB2  GLU   7           HB3      GLU   7  16.324   6.405  -0.877
   55    HB3  GLU   7           HB2      GLU   7  15.342   6.857   0.507
   56    HG2  GLU   7           HG3      GLU   7  17.387   4.650   0.472
   57    HG3  GLU   7           HG2      GLU   7  17.638   6.269   1.124
   58    H    ASP   8           H        ASP   8  14.638   5.693  -2.817
   59    HA   ASP   8           HA       ASP   8  12.358   7.419  -2.606
   60    HB2  ASP   8           HB3      ASP   8  13.865   6.330  -4.988
   61    HB3  ASP   8           HB2      ASP   8  12.503   7.434  -5.133
   62    H    LYS   9           H        LYS   9  12.958   4.146  -3.679
   63    HA   LYS   9           HA       LYS   9  10.418   3.721  -4.875
   64    HB2  LYS   9           HB3      LYS   9  12.597   2.458  -5.288
   65    HB3  LYS   9           HB2      LYS   9  12.254   1.586  -3.802
   66    HG2  LYS   9           HG3      LYS   9  10.138   0.800  -4.773
   67    HG3  LYS   9           HG2      LYS   9  10.531   1.640  -6.272
   68    HD2  LYS   9           HD3      LYS   9  12.145  -0.582  -5.016
   69    HD3  LYS   9           HD2      LYS   9  11.080  -0.742  -6.411
   70    HE2  LYS   9           HE3      LYS   9  13.547   0.991  -6.266
   71    HE3  LYS   9           HE2      LYS   9  13.433  -0.569  -7.074
   72    HZ1  LYS   9           HZ1      LYS   9  11.894   1.864  -7.797
   73    HZ2  LYS   9           HZ2      LYS   9  11.786   0.364  -8.573
   74    HZ3  LYS   9           HZ3      LYS   9  13.224   1.247  -8.636
   75    H    VAL  10           H        VAL  10  11.782   2.915  -1.692
   76    HA   VAL  10           HA       VAL  10   9.471   1.522  -0.795
   77    HB   VAL  10           HB       VAL  10  11.761   1.257   0.195
   78   HG11  VAL  10          HG11      VAL  10  11.123   3.869   1.555
   79   HG12  VAL  10          HG12      VAL  10  12.404   3.590   0.376
   80   HG13  VAL  10          HG13      VAL  10  12.471   2.802   1.953
   81   HG21  VAL  10          HG21      VAL  10   9.818   0.352   1.311
   82   HG22  VAL  10          HG22      VAL  10   9.519   1.901   2.101
   83   HG23  VAL  10          HG23      VAL  10  10.965   0.973   2.498
   84    H    GLU  11           H        GLU  11  10.506   4.903  -0.589
   85    HA   GLU  11           HA       GLU  11   8.385   5.764   1.089
   86    HB2  GLU  11           HB3      GLU  11  10.376   7.147   0.718
   87    HB3  GLU  11           HB2      GLU  11   9.963   7.310  -0.983
   88    HG2  GLU  11           HG3      GLU  11   7.912   8.495  -0.367
   89    HG3  GLU  11           HG2      GLU  11   8.343   8.343   1.335
   90    H    GLU  12           H        GLU  12   8.777   5.482  -2.401
   91    HA   GLU  12           HA       GLU  12   6.347   6.565  -3.220
   92    HB2  GLU  12           HB3      GLU  12   8.238   5.828  -4.707
   93    HB3  GLU  12           HB2      GLU  12   7.705   4.171  -4.467
   94    HG2  GLU  12           HG3      GLU  12   6.860   4.955  -6.558
   95    HG3  GLU  12           HG2      GLU  12   5.512   4.783  -5.437
   96    H    LEU  13           H        LEU  13   7.077   3.134  -2.472
   97    HA   LEU  13           HA       LEU  13   4.360   2.358  -2.630
   98    HB2  LEU  13           HB3      LEU  13   6.882   1.081  -1.743
   99    HB3  LEU  13           HB2      LEU  13   5.364   0.326  -1.284
  100    HG   LEU  13           HG       LEU  13   5.758   1.141  -4.114
  101   HD11  LEU  13          HD11      LEU  13   6.890  -1.377  -2.875
  102   HD12  LEU  13          HD12      LEU  13   7.820  -0.057  -3.585
  103   HD13  LEU  13          HD13      LEU  13   6.780  -1.054  -4.605
  104   HD21  LEU  13          HD21      LEU  13   4.303  -1.104  -2.730
  105   HD22  LEU  13          HD22      LEU  13   4.371  -0.882  -4.477
  106   HD23  LEU  13          HD23      LEU  13   3.595   0.333  -3.463
  107    H    LEU  14           H        LEU  14   6.351   3.411   0.089
  108    HA   LEU  14           HA       LEU  14   4.587   2.856   2.155
  109    HB2  LEU  14           HB3      LEU  14   6.854   3.703   2.490
  110    HB3  LEU  14           HB2      LEU  14   6.425   5.233   1.769
  111    HG   LEU  14           HG       LEU  14   6.665   5.160   4.283
  112   HD11  LEU  14          HD11      LEU  14   5.617   7.017   3.132
  113   HD12  LEU  14          HD12      LEU  14   4.818   6.689   4.672
  114   HD13  LEU  14          HD13      LEU  14   4.067   6.174   3.162
  115   HD21  LEU  14          HD21      LEU  14   4.797   4.367   5.593
  116   HD22  LEU  14          HD22      LEU  14   5.469   3.042   4.643
  117   HD23  LEU  14          HD23      LEU  14   3.970   3.823   4.136
  118    H    SER  15           H        SER  15   4.677   5.597  -0.083
  119    HA   SER  15           HA       SER  15   2.305   6.750   1.013
  120    HB2  SER  15           HB3      SER  15   2.447   8.196  -1.115
  121    HB3  SER  15           HB2      SER  15   3.737   8.343   0.075
  122    HG   SER  15           HG       SER  15   5.057   7.100  -1.214
  123    H    LYS  16           H        LYS  16   3.011   4.597  -1.768
  124    HA   LYS  16           HA       LYS  16   0.433   4.628  -2.878
  125    HB2  LYS  16           HB3      LYS  16   2.439   2.383  -2.685
  126    HB3  LYS  16           HB2      LYS  16   0.941   2.258  -3.593
  127    HG2  LYS  16           HG3      LYS  16   1.630   4.101  -5.021
  128    HG3  LYS  16           HG2      LYS  16   3.118   4.278  -4.092
  129    HD2  LYS  16           HD3      LYS  16   3.549   3.048  -6.137
  130    HD3  LYS  16           HD2      LYS  16   3.776   2.000  -4.740
  131    HE2  LYS  16           HE3      LYS  16   2.585   0.843  -6.527
  132    HE3  LYS  16           HE2      LYS  16   1.569   1.026  -5.099
  133    HZ1  LYS  16           HZ1      LYS  16   0.449   2.871  -6.148
  134    HZ2  LYS  16           HZ2      LYS  16   0.378   1.519  -7.159
  135    HZ3  LYS  16           HZ3      LYS  16   1.461   2.771  -7.501
  136    H    ASN  17           H        ASN  17   1.736   2.598  -0.269
  137    HA   ASN  17           HA       ASN  17  -0.480   1.104   0.385
  138    HB2  ASN  17           HB3      ASN  17   1.649   0.730   1.458
  139    HB3  ASN  17           HB2      ASN  17   1.628   2.338   2.171
  140   HD21  ASN  17          HD21      ASN  17   0.408   2.713   3.995
  141   HD22  ASN  17          HD22      ASN  17  -0.305   1.439   4.921
  142    H    TYR  18           H        TYR  18   0.350   4.363   1.569
  143    HA   TYR  18           HA       TYR  18  -1.983   4.608   3.151
  144    HB2  TYR  18           HB3      TYR  18   0.104   6.527   2.203
  145    HB3  TYR  18           HB2      TYR  18  -1.377   7.149   2.933
  146    HD1  TYR  18           HD1      TYR  18  -1.958   6.511   5.263
  147    HD2  TYR  18           HD2      TYR  18   1.802   5.525   3.543
  148    HE1  TYR  18           HE1      TYR  18  -1.050   6.091   7.507
  149    HE2  TYR  18           HE2      TYR  18   2.722   5.103   5.782
  150    HH   TYR  18           HH       TYR  18   2.312   5.650   8.078
  151    H    HIS  19           H        HIS  19  -1.235   5.621  -0.164
  152    HA   HIS  19           HA       HIS  19  -3.571   7.067  -0.676
  153    HB2  HIS  19           HB3      HIS  19  -1.717   5.494  -2.432
  154    HB3  HIS  19           HB2      HIS  19  -3.206   6.146  -3.102
  155    HD1  HIS  19           HD1      HIS  19   0.215   6.988  -2.805
  156    HD2  HIS  19           HD2      HIS  19  -3.332   9.118  -2.412
  157    HE1  HIS  19           HE1      HIS  19   0.838   9.399  -3.116
  158    HE2  HIS  19           HE2      HIS  19  -1.290  10.675  -2.697
  159    H    LEU  20           H        LEU  20  -2.942   3.603  -0.887
  160    HA   LEU  20           HA       LEU  20  -5.597   3.021  -1.813
  161    HB2  LEU  20           HB3      LEU  20  -3.197   1.420  -1.092
  162    HB3  LEU  20           HB2      LEU  20  -4.755   0.615  -1.100
  163    HG   LEU  20           HG       LEU  20  -5.080   1.073  -3.426
  164   HD11  LEU  20          HD11      LEU  20  -4.158   3.345  -3.442
  165   HD12  LEU  20          HD12      LEU  20  -3.522   2.357  -4.762
  166   HD13  LEU  20          HD13      LEU  20  -2.528   2.672  -3.339
  167   HD21  LEU  20          HD21      LEU  20  -3.653  -0.833  -2.884
  168   HD22  LEU  20          HD22      LEU  20  -2.231   0.207  -2.969
  169   HD23  LEU  20          HD23      LEU  20  -3.192  -0.092  -4.416
  170    H    GLU  21           H        GLU  21  -3.924   2.964   1.291
  171    HA   GLU  21           HA       GLU  21  -5.936   1.747   2.812
  172    HB2  GLU  21           HB3      GLU  21  -3.553   2.458   3.506
  173    HB3  GLU  21           HB2      GLU  21  -4.255   4.037   3.820
  174    HG2  GLU  21           HG3      GLU  21  -5.526   1.655   5.050
  175    HG3  GLU  21           HG2      GLU  21  -4.000   2.227   5.715
  176    H    ASN  22           H        ASN  22  -5.466   5.083   1.798
  177    HA   ASN  22           HA       ASN  22  -7.714   6.199   3.061
  178    HB2  ASN  22           HB3      ASN  22  -6.022   6.984   0.729
  179    HB3  ASN  22           HB2      ASN  22  -7.548   7.824   0.982
  180   HD21  ASN  22          HD21      ASN  22  -4.352   7.245   2.215
  181   HD22  ASN  22          HD22      ASN  22  -4.366   8.518   3.391
  182    H    GLU  23           H        GLU  23  -7.359   4.395   0.070
  183    HA   GLU  23           HA       GLU  23  -9.980   5.029  -0.899
  184    HB2  GLU  23           HB3      GLU  23  -7.986   2.910  -1.711
  185    HB3  GLU  23           HB2      GLU  23  -9.551   3.152  -2.518
  186    HG2  GLU  23           HG3      GLU  23  -8.864   5.466  -3.044
  187    HG3  GLU  23           HG2      GLU  23  -7.287   5.133  -2.327
  188    H    VAL  24           H        VAL  24  -8.574   2.432   1.017
  189    HA   VAL  24           HA       VAL  24 -10.882   0.777   0.964
  190    HB   VAL  24           HB       VAL  24  -8.846   0.876   3.196
  191   HG11  VAL  24          HG11      VAL  24  -9.462  -1.459   3.538
  192   HG12  VAL  24          HG12      VAL  24 -10.614  -1.366   2.204
  193   HG13  VAL  24          HG13      VAL  24 -10.878  -0.413   3.669
  194   HG21  VAL  24          HG21      VAL  24  -7.677   0.635   1.071
  195   HG22  VAL  24          HG22      VAL  24  -8.726  -0.715   0.637
  196   HG23  VAL  24          HG23      VAL  24  -7.616  -0.863   1.998
  197    H    ALA  25           H        ALA  25  -9.787   3.418   2.991
  198    HA   ALA  25           HA       ALA  25 -11.623   3.065   5.103
  199    HB1  ALA  25           HB1      ALA  25  -9.566   4.430   5.248
  200    HB2  ALA  25           HB2      ALA  25 -11.004   5.270   5.826
  201    HB3  ALA  25           HB3      ALA  25 -10.344   5.648   4.237
  202    H    ARG  26           H        ARG  26 -11.817   5.002   2.131
  203    HA   ARG  26           HA       ARG  26 -14.205   6.320   2.837
  204    HB2  ARG  26           HB3      ARG  26 -14.366   6.717   0.316
  205    HB3  ARG  26           HB2      ARG  26 -12.994   7.397   1.165
  206    HG2  ARG  26           HG3      ARG  26 -11.618   5.508   0.373
  207    HG3  ARG  26           HG2      ARG  26 -12.999   4.906  -0.545
  208    HD2  ARG  26           HD2      ARG  26 -11.743   7.624  -0.895
  209    HD3  ARG  26           HD1      ARG  26 -11.418   6.223  -1.915
  210    HE   ARG  26           HE       ARG  26 -13.978   6.327  -2.284
  211   HH11  ARG  26          HH11      ARG  26 -11.850   9.087  -1.910
  212   HH12  ARG  26          HH12      ARG  26 -12.832  10.134  -2.885
  213   HH21  ARG  26          HH21      ARG  26 -15.263   7.700  -3.573
  214   HH22  ARG  26          HH22      ARG  26 -14.771   9.345  -3.831
  215    H    LEU  27           H        LEU  27 -13.614   3.425   0.862
  216    HA   LEU  27           HA       LEU  27 -16.349   3.007   0.230
  217    HB2  LEU  27           HB3      LEU  27 -14.081   1.028   0.286
  218    HB3  LEU  27           HB2      LEU  27 -15.647   0.774  -0.445
  219    HG   LEU  27           HG       LEU  27 -13.953   3.038  -1.356
  220   HD11  LEU  27          HD11      LEU  27 -12.547   1.046  -1.392
  221   HD12  LEU  27          HD12      LEU  27 -12.943   1.610  -3.016
  222   HD13  LEU  27          HD13      LEU  27 -13.776   0.209  -2.340
  223   HD21  LEU  27          HD21      LEU  27 -16.057   1.307  -2.631
  224   HD22  LEU  27          HD22      LEU  27 -15.157   2.576  -3.466
  225   HD23  LEU  27          HD23      LEU  27 -16.233   2.989  -2.132
  226    H    LYS  28           H        LYS  28 -14.250   1.804   2.796
  227    HA   LYS  28           HA       LYS  28 -15.860  -0.115   3.936
  228    HB2  LYS  28           HB3      LYS  28 -13.510   0.645   4.607
  229    HB3  LYS  28           HB2      LYS  28 -14.305   1.873   5.580
  230    HG2  LYS  28           HG3      LYS  28 -13.773   0.048   7.004
  231    HG3  LYS  28           HG2      LYS  28 -15.521   0.042   6.762
  232    HD2  LYS  28           HD3      LYS  28 -15.324  -1.730   5.125
  233    HD3  LYS  28           HD2      LYS  28 -13.565  -1.676   5.236
  234    HE2  LYS  28           HE3      LYS  28 -14.358  -3.538   6.526
  235    HE3  LYS  28           HE2      LYS  28 -13.749  -2.306   7.630
  236    HZ1  LYS  28           HZ1      LYS  28 -15.839  -3.246   8.397
  237    HZ2  LYS  28           HZ2      LYS  28 -16.609  -2.765   6.971
  238    HZ3  LYS  28           HZ3      LYS  28 -16.017  -1.603   8.045
  239    H    LYS  29           H        LYS  29 -16.096   3.395   4.244
  240    HA   LYS  29           HA       LYS  29 -18.302   3.126   6.120
  241    HB2  LYS  29           HB3      LYS  29 -16.631   4.844   6.526
  242    HB3  LYS  29           HB2      LYS  29 -16.992   5.600   4.983
  243    HG2  LYS  29           HG3      LYS  29 -19.249   6.104   5.773
  244    HG3  LYS  29           HG2      LYS  29 -18.881   5.331   7.316
  245    HD2  LYS  29           HD3      LYS  29 -17.059   6.979   7.649
  246    HD3  LYS  29           HD2      LYS  29 -17.565   7.787   6.164
  247    HE2  LYS  29           HE3      LYS  29 -18.500   8.920   8.091
  248    HE3  LYS  29           HE2      LYS  29 -19.783   8.170   7.145
  249    HZ1  LYS  29           HZ1      LYS  29 -18.596   7.055   9.629
  250    HZ2  LYS  29           HZ2      LYS  29 -19.839   6.338   8.728
  251    HZ3  LYS  29           HZ3      LYS  29 -20.099   7.816   9.512
  252    H    LEU  30           H        LEU  30 -17.912   3.248   2.767
  253    HA   LEU  30           HA       LEU  30 -20.509   4.418   2.263
  254    HB2  LEU  30           HB3      LEU  30 -18.611   2.930   0.453
  255    HB3  LEU  30           HB2      LEU  30 -20.133   3.626  -0.067
  256    HG   LEU  30           HG       LEU  30 -17.790   5.176   1.037
  257   HD11  LEU  30          HD11      LEU  30 -17.353   4.283  -1.184
  258   HD12  LEU  30          HD12      LEU  30 -17.564   6.031  -1.235
  259   HD13  LEU  30          HD13      LEU  30 -18.866   4.970  -1.768
  260   HD21  LEU  30          HD21      LEU  30 -19.070   7.149   0.325
  261   HD22  LEU  30          HD22      LEU  30 -19.892   6.245   1.593
  262   HD23  LEU  30          HD23      LEU  30 -20.433   6.105  -0.079
  263    H    VAL  31           H        VAL  31 -19.087   1.258   2.654
  264    HA   VAL  31           HA       VAL  31 -21.605  -0.087   2.100
  265    HB   VAL  31           HB       VAL  31 -19.118  -1.355   3.256
  266   HG11  VAL  31          HG11      VAL  31 -21.162  -2.696   3.326
  267   HG12  VAL  31          HG12      VAL  31 -19.973  -3.383   2.220
  268   HG13  VAL  31          HG13      VAL  31 -21.355  -2.492   1.584
  269   HG21  VAL  31          HG21      VAL  31 -18.480  -0.144   1.232
  270   HG22  VAL  31          HG22      VAL  31 -19.760  -0.961   0.336
  271   HG23  VAL  31          HG23      VAL  31 -18.407  -1.887   0.988
  272    H    GLY  32           H        GLY  32 -19.798   1.140   4.782
  273    HA2  GLY  32           HA3      GLY  32 -21.393  -0.397   6.704
  274    HA3  GLY  32           HA2      GLY  32 -19.927   0.498   7.069
  275    H    GLU  33           H        GLU  33 -20.502   2.966   5.978
  276    HA   GLU  33           HA       GLU  33 -21.555   4.934   6.354
  277    HB2  GLU  33           HB3      GLU  33 -23.891   3.233   7.251
  278    HB3  GLU  33           HB2      GLU  33 -23.939   4.977   7.050
  279    HG2  GLU  33           HG3      GLU  33 -23.361   3.006   4.850
  280    HG3  GLU  33           HG2      GLU  33 -24.928   3.747   5.161
  281    H1   GLY   1           H1       GLY   1  25.931   0.979   4.887
  282    H2   GLY   1           H2       GLY   1  26.433   1.706   3.446
  283    H3   GLY   1           H3       GLY   1  26.377   0.022   3.571
  284    HA2  GLY   1           HA2      GLY   1  24.035   1.832   3.679
  285    HA3  GLY   1           HA3      GLY   1  24.507   0.859   2.291
  286    H    SER   2           H        SER   2  22.054   0.410   3.057
  287    HA   SER   2           HA       SER   2  22.202  -2.261   4.216
  288    HB2  SER   2           HB3      SER   2  20.272  -0.153   5.222
  289    HB3  SER   2           HB2      SER   2  20.328  -1.839   5.740
  290    HG   SER   2           HG       SER   2  22.768  -0.806   5.980
  291    H    MET   3           H        MET   3  21.969  -1.890   1.618
  292    HA   MET   3           HA       MET   3  19.394  -1.407   0.581
  293    HB2  MET   3           HB3      MET   3  21.467  -1.345  -0.769
  294    HB3  MET   3           HB2      MET   3  21.625  -3.085  -0.586
  295    HG2  MET   3           HG3      MET   3  19.555  -3.424  -1.810
  296    HG3  MET   3           HG2      MET   3  19.345  -1.679  -1.958
  297    HE1  MET   3           HE1      MET   3  19.076  -1.927  -4.613
  298    HE2  MET   3           HE2      MET   3  19.252  -3.671  -4.427
  299    HE3  MET   3           HE3      MET   3  20.224  -2.809  -5.619
  300    H    LYS   4           H        LYS   4  20.930  -4.260   1.874
  301    HA   LYS   4           HA       LYS   4  19.182  -6.240   0.975
  302    HB2  LYS   4           HB3      LYS   4  21.263  -6.798   2.081
  303    HB3  LYS   4           HB2      LYS   4  20.728  -6.023   3.565
  304    HG2  LYS   4           HG3      LYS   4  20.551  -8.385   3.837
  305    HG3  LYS   4           HG2      LYS   4  18.924  -7.714   3.741
  306    HD2  LYS   4           HD3      LYS   4  18.943  -9.692   2.422
  307    HD3  LYS   4           HD2      LYS   4  18.923  -8.329   1.303
  308    HE2  LYS   4           HE3      LYS   4  20.490 -10.052   0.571
  309    HE3  LYS   4           HE2      LYS   4  21.331  -8.556   0.974
  310    HZ1  LYS   4           HZ1      LYS   4  22.022  -9.482   3.044
  311    HZ2  LYS   4           HZ2      LYS   4  22.420 -10.588   1.833
  312    HZ3  LYS   4           HZ3      LYS   4  21.077 -10.865   2.821
  313    H    GLN   5           H        GLN   5  19.041  -4.219   3.882
  314    HA   GLN   5           HA       GLN   5  16.687  -5.333   4.955
  315    HB2  GLN   5           HB3      GLN   5  17.779  -2.533   5.295
  316    HB3  GLN   5           HB2      GLN   5  16.577  -3.298   6.322
  317    HG2  GLN   5           HG3      GLN   5  18.207  -4.958   7.025
  318    HG3  GLN   5           HG2      GLN   5  19.415  -4.231   5.967
  319   HE21  GLN   5          HE21      GLN   5  20.819  -3.756   7.634
  320   HE22  GLN   5          HE22      GLN   5  20.499  -2.517   8.798
  321    H    LEU   6           H        LEU   6  17.282  -2.650   2.753
  322    HA   LEU   6           HA       LEU   6  14.634  -1.706   2.630
  323    HB2  LEU   6           HB3      LEU   6  17.076  -1.372   0.977
  324    HB3  LEU   6           HB2      LEU   6  15.545  -0.957   0.236
  325    HG   LEU   6           HG       LEU   6  16.627   1.012   1.187
  326   HD11  LEU   6          HD11      LEU   6  14.181   0.896   1.123
  327   HD12  LEU   6          HD12      LEU   6  14.764   1.857   2.481
  328   HD13  LEU   6          HD13      LEU   6  14.177   0.218   2.750
  329   HD21  LEU   6          HD21      LEU   6  16.385  -0.418   3.832
  330   HD22  LEU   6          HD22      LEU   6  16.889   1.258   3.605
  331   HD23  LEU   6          HD23      LEU   6  17.885  -0.055   2.977
  332    H    GLU   7           H        GLU   7  16.320  -4.227   0.833
  333    HA   GLU   7           HA       GLU   7  14.397  -4.696  -1.147
  334    HB2  GLU   7           HB3      GLU   7  16.307  -6.592   0.222
  335    HB3  GLU   7           HB2      GLU   7  15.315  -7.046  -1.158
  336    HG2  GLU   7           HG3      GLU   7  17.361  -4.838  -1.145
  337    HG3  GLU   7           HG2      GLU   7  17.612  -6.461  -1.787
  338    H    ASP   8           H        ASP   8  14.628  -5.867   2.166
  339    HA   ASP   8           HA       ASP   8  12.341  -7.586   1.972
  340    HB2  ASP   8           HB3      ASP   8  13.867  -6.498   4.346
  341    HB3  ASP   8           HB2      ASP   8  12.501  -7.599   4.498
  342    H    LYS   9           H        LYS   9  12.955  -4.310   3.016
  343    HA   LYS   9           HA       LYS   9  10.426  -3.873   4.233
  344    HB2  LYS   9           HB3      LYS   9  12.611  -2.613   4.626
  345    HB3  LYS   9           HB2      LYS   9  12.258  -1.745   3.140
  346    HG2  LYS   9           HG3      LYS   9  10.151  -0.952   4.125
  347    HG3  LYS   9           HG2      LYS   9  10.554  -1.793   5.622
  348    HD2  LYS   9           HD3      LYS   9  12.167   0.421   4.352
  349    HD3  LYS   9           HD2      LYS   9  11.107   0.592   5.751
  350    HE2  LYS   9           HE3      LYS   9  13.572  -1.146   5.602
  351    HE3  LYS   9           HE2      LYS   9  13.461   0.414   6.410
  352    HZ1  LYS   9           HZ1      LYS   9  11.917  -2.015   7.137
  353    HZ2  LYS   9           HZ2      LYS   9  11.820  -0.518   7.915
  354    HZ3  LYS   9           HZ3      LYS   9  13.255  -1.410   7.974
  355    H    VAL  10           H        VAL  10  11.775  -3.084   1.042
  356    HA   VAL  10           HA       VAL  10   9.465  -1.690   0.148
  357    HB   VAL  10           HB       VAL  10  11.750  -1.433  -0.851
  358   HG11  VAL  10          HG11      VAL  10  11.101  -4.049  -2.194
  359   HG12  VAL  10          HG12      VAL  10  12.388  -3.767  -1.023
  360   HG13  VAL  10          HG13      VAL  10  12.448  -2.990  -2.605
  361   HG21  VAL  10          HG21      VAL  10   9.803  -0.531  -1.963
  362   HG22  VAL  10          HG22      VAL  10   9.499  -2.083  -2.745
  363   HG23  VAL  10          HG23      VAL  10  10.943  -1.157  -3.155
  364    H    GLU  11           H        GLU  11  10.489  -5.075  -0.045
  365    HA   GLU  11           HA       GLU  11   8.361  -5.939  -1.715
  366    HB2  GLU  11           HB3      GLU  11  10.349  -7.326  -1.345
  367    HB3  GLU  11           HB2      GLU  11   9.943  -7.478   0.360
  368    HG2  GLU  11           HG3      GLU  11   7.885  -8.658  -0.243
  369    HG3  GLU  11           HG2      GLU  11   8.314  -8.523  -1.947
  370    H    GLU  12           H        GLU  12   8.767  -5.648   1.774
  371    HA   GLU  12           HA       GLU  12   6.339  -6.720   2.612
  372    HB2  GLU  12           HB3      GLU  12   8.242  -5.977   4.080
  373    HB3  GLU  12           HB2      GLU  12   7.709  -4.320   3.834
  374    HG2  GLU  12           HG3      GLU  12   6.881  -5.093   5.937
  375    HG3  GLU  12           HG2      GLU  12   5.522  -4.923   4.825
  376    H    LEU  13           H        LEU  13   7.074  -3.295   1.840
  377    HA   LEU  13           HA       LEU  13   4.360  -2.507   2.009
  378    HB2  LEU  13           HB3      LEU  13   6.883  -1.242   1.105
  379    HB3  LEU  13           HB2      LEU  13   5.364  -0.483   0.652
  380    HG   LEU  13           HG       LEU  13   5.770  -1.289   3.483
  381   HD11  LEU  13          HD11      LEU  13   6.899   1.225   2.231
  382   HD12  LEU  13          HD12      LEU  13   7.832  -0.093   2.942
  383   HD13  LEU  13          HD13      LEU  13   6.796   0.906   3.963
  384   HD21  LEU  13          HD21      LEU  13   4.314   0.953   2.095
  385   HD22  LEU  13          HD22      LEU  13   4.391   0.740   3.843
  386   HD23  LEU  13          HD23      LEU  13   3.606  -0.480   2.840
  387    H    LEU  14           H        LEU  14   6.335  -3.575  -0.717
  388    HA   LEU  14           HA       LEU  14   4.563  -3.025  -2.775
  389    HB2  LEU  14           HB3      LEU  14   6.826  -3.877  -3.114
  390    HB3  LEU  14           HB2      LEU  14   6.397  -5.403  -2.386
  391    HG   LEU  14           HG       LEU  14   6.628  -5.340  -4.899
  392   HD11  LEU  14          HD11      LEU  14   5.581  -7.191  -3.738
  393   HD12  LEU  14          HD12      LEU  14   4.776  -6.868  -5.275
  394   HD13  LEU  14          HD13      LEU  14   4.033  -6.344  -3.764
  395   HD21  LEU  14          HD21      LEU  14   4.755  -4.549  -6.207
  396   HD22  LEU  14          HD22      LEU  14   5.433  -3.220  -5.266
  397   HD23  LEU  14          HD23      LEU  14   3.937  -3.997  -4.748
  398    H    SER  15           H        SER  15   4.655  -5.759  -0.526
  399    HA   SER  15           HA       SER  15   2.273  -6.911  -1.609
  400    HB2  SER  15           HB3      SER  15   2.426  -8.343   0.523
  401    HB3  SER  15           HB2      SER  15   3.724  -8.489  -0.660
  402    HG   SER  15           HG       SER  15   5.048  -7.306   0.630
  403    H    LYS  16           H        LYS  16   3.001  -4.745   1.160
  404    HA   LYS  16           HA       LYS  16   0.428  -4.766   2.287
  405    HB2  LYS  16           HB3      LYS  16   2.440  -2.528   2.072
  406    HB3  LYS  16           HB2      LYS  16   0.948  -2.393   2.989
  407    HG2  LYS  16           HG3      LYS  16   1.639  -4.232   4.420
  408    HG3  LYS  16           HG2      LYS  16   3.123  -4.414   3.486
  409    HD2  LYS  16           HD3      LYS  16   3.562  -3.178   5.526
  410    HD3  LYS  16           HD2      LYS  16   3.785  -2.136   4.122
  411    HE2  LYS  16           HE3      LYS  16   2.601  -0.972   5.911
  412    HE3  LYS  16           HE2      LYS  16   1.580  -1.156   4.486
  413    HZ1  LYS  16           HZ1      LYS  16   0.455  -2.991   5.545
  414    HZ2  LYS  16           HZ2      LYS  16   0.401  -1.639   6.558
  415    HZ3  LYS  16           HZ3      LYS  16   1.477  -2.898   6.889
  416    H    ASN  17           H        ASN  17   1.726  -2.745  -0.333
  417    HA   ASN  17           HA       ASN  17  -0.490  -1.255  -0.986
  418    HB2  ASN  17           HB3      ASN  17   1.635  -0.885  -2.069
  419    HB3  ASN  17           HB2      ASN  17   1.608  -2.494  -2.778
  420   HD21  ASN  17          HD21      ASN  17   0.382  -2.875  -4.593
  421   HD22  ASN  17          HD22      ASN  17  -0.339  -1.607  -5.521
  422    H    TYR  18           H        TYR  18   0.331  -4.520  -2.158
  423    HA   TYR  18           HA       TYR  18  -2.012  -4.767  -3.729
  424    HB2  TYR  18           HB3      TYR  18   0.075  -6.684  -2.785
  425    HB3  TYR  18           HB2      TYR  18  -1.410  -7.307  -3.504
  426    HD1  TYR  18           HD1      TYR  18  -2.003  -6.670  -5.829
  427    HD2  TYR  18           HD2      TYR  18   1.774  -5.697  -4.140
  428    HE1  TYR  18           HE1      TYR  18  -1.112  -6.260  -8.078
  429    HE2  TYR  18           HE2      TYR  18   2.679  -5.284  -6.389
  430    HH   TYR  18           HH       TYR  18   2.236  -5.855  -8.692
  431    H    HIS  19           H        HIS  19  -1.249  -5.766  -0.413
  432    HA   HIS  19           HA       HIS  19  -3.588  -7.202   0.112
  433    HB2  HIS  19           HB3      HIS  19  -1.723  -5.625   1.852
  434    HB3  HIS  19           HB2      HIS  19  -3.211  -6.274   2.531
  435    HD1  HIS  19           HD1      HIS  19   0.210  -7.120   2.217
  436    HD2  HIS  19           HD2      HIS  19  -3.342  -9.247   1.871
  437    HE1  HIS  19           HE1      HIS  19   0.831  -9.532   2.539
  438    HE2  HIS  19           HE2      HIS  19  -1.304 -10.807   2.165
  439    H    LEU  20           H        LEU  20  -2.949  -3.736   0.297
  440    HA   LEU  20           HA       LEU  20  -5.599  -3.152   1.240
  441    HB2  LEU  20           HB3      LEU  20  -3.203  -1.551   0.505
  442    HB3  LEU  20           HB2      LEU  20  -4.761  -0.746   0.520
  443    HG   LEU  20           HG       LEU  20  -5.072  -1.201   2.848
  444   HD11  LEU  20          HD11      LEU  20  -4.154  -3.475   2.864
  445   HD12  LEU  20          HD12      LEU  20  -3.507  -2.485   4.178
  446   HD13  LEU  20          HD13      LEU  20  -2.524  -2.806   2.749
  447   HD21  LEU  20          HD21      LEU  20  -3.643   0.700   2.296
  448   HD22  LEU  20          HD22      LEU  20  -2.224  -0.346   2.373
  449   HD23  LEU  20          HD23      LEU  20  -3.176  -0.040   3.827
  450    H    GLU  21           H        GLU  21  -3.942  -3.113  -1.870
  451    HA   GLU  21           HA       GLU  21  -5.958  -1.894  -3.386
  452    HB2  GLU  21           HB3      GLU  21  -3.580  -2.609  -4.094
  453    HB3  GLU  21           HB2      GLU  21  -4.282  -4.190  -4.395
  454    HG2  GLU  21           HG3      GLU  21  -5.562  -1.814  -5.631
  455    HG3  GLU  21           HG2      GLU  21  -4.040  -2.392  -6.301
  456    H    ASN  22           H        ASN  22  -5.494  -5.228  -2.362
  457    HA   ASN  22           HA       ASN  22  -7.748  -6.343  -3.614
  458    HB2  ASN  22           HB3      ASN  22  -6.047  -7.122  -1.289
  459    HB3  ASN  22           HB2      ASN  22  -7.576  -7.960  -1.530
  460   HD21  ASN  22          HD21      ASN  22  -4.389  -7.395  -2.774
  461   HD22  ASN  22          HD22      ASN  22  -4.407  -8.657  -3.959
  462    H    GLU  23           H        GLU  23  -7.375  -4.538  -0.627
  463    HA   GLU  23           HA       GLU  23  -9.996  -5.153   0.351
  464    HB2  GLU  23           HB3      GLU  23  -7.993  -3.036   1.143
  465    HB3  GLU  23           HB2      GLU  23  -9.555  -3.269   1.956
  466    HG2  GLU  23           HG3      GLU  23  -8.872  -5.583   2.488
  467    HG3  GLU  23           HG2      GLU  23  -7.294  -5.254   1.772
  468    H    VAL  24           H        VAL  24  -8.588  -2.565  -1.580
  469    HA   VAL  24           HA       VAL  24 -10.895  -0.907  -1.523
  470    HB   VAL  24           HB       VAL  24  -8.868  -1.013  -3.763
  471   HG11  VAL  24          HG11      VAL  24  -9.481   1.322  -4.105
  472   HG12  VAL  24          HG12      VAL  24 -10.624   1.235  -2.763
  473   HG13  VAL  24          HG13      VAL  24 -10.900   0.280  -4.222
  474   HG21  VAL  24          HG21      VAL  24  -7.690  -0.771  -1.642
  475   HG22  VAL  24          HG22      VAL  24  -8.734   0.584  -1.209
  476   HG23  VAL  24          HG23      VAL  24  -7.628   0.724  -2.575
  477    H    ALA  25           H        ALA  25  -9.820  -3.568  -3.533
  478    HA   ALA  25           HA       ALA  25 -11.658  -3.209  -5.648
  479    HB1  ALA  25           HB1      ALA  25  -9.605  -4.578  -5.797
  480    HB2  ALA  25           HB2      ALA  25 -11.049  -5.417  -6.365
  481    HB3  ALA  25           HB3      ALA  25 -10.381  -5.791  -4.778
  482    H    ARG  26           H        ARG  26 -11.843  -5.136  -2.673
  483    HA   ARG  26           HA       ARG  26 -14.238  -6.446  -3.358
  484    HB2  ARG  26           HB3      ARG  26 -14.389  -6.834  -0.835
  485    HB3  ARG  26           HB2      ARG  26 -13.020  -7.516  -1.688
  486    HG2  ARG  26           HG3      ARG  26 -11.640  -5.628  -0.908
  487    HG3  ARG  26           HG2      ARG  26 -13.017  -5.022   0.013
  488    HD2  ARG  26           HD2      ARG  26 -11.769  -7.742   0.364
  489    HD3  ARG  26           HD1      ARG  26 -11.426  -6.341   1.376
  490    HE   ARG  26           HE       ARG  26 -13.984  -6.432   1.767
  491   HH11  ARG  26          HH11      ARG  26 -11.865  -9.192   1.395
  492   HH12  ARG  26          HH12      ARG  26 -12.847 -10.238   2.365
  493   HH21  ARG  26          HH21      ARG  26 -15.271  -7.800   3.059
  494   HH22  ARG  26          HH22      ARG  26 -14.781  -9.441   3.329
  495    H    LEU  27           H        LEU  27 -13.632  -3.546  -1.396
  496    HA   LEU  27           HA       LEU  27 -16.362  -3.119  -0.753
  497    HB2  LEU  27           HB3      LEU  27 -14.089  -1.146  -0.830
  498    HB3  LEU  27           HB2      LEU  27 -15.651  -0.884  -0.092
  499    HG   LEU  27           HG       LEU  27 -13.956  -3.150   0.819
  500   HD11  LEU  27          HD11      LEU  27 -12.550  -1.160   0.843
  501   HD12  LEU  27          HD12      LEU  27 -12.939  -1.715   2.472
  502   HD13  LEU  27          HD13      LEU  27 -13.773  -0.318   1.791
  503   HD21  LEU  27          HD21      LEU  27 -16.056  -1.413   2.095
  504   HD22  LEU  27          HD22      LEU  27 -15.155  -2.679   2.934
  505   HD23  LEU  27          HD23      LEU  27 -16.236  -3.098   1.606
  506    H    LYS  28           H        LYS  28 -14.275  -1.931  -3.334
  507    HA   LYS  28           HA       LYS  28 -15.880  -0.008  -4.472
  508    HB2  LYS  28           HB3      LYS  28 -13.538  -0.780  -5.155
  509    HB3  LYS  28           HB2      LYS  28 -14.343  -2.012  -6.114
  510    HG2  LYS  28           HG3      LYS  28 -13.811  -0.197  -7.552
  511    HG3  LYS  28           HG2      LYS  28 -15.558  -0.186  -7.303
  512    HD2  LYS  28           HD3      LYS  28 -15.348   1.595  -5.675
  513    HD3  LYS  28           HD2      LYS  28 -13.591   1.537  -5.800
  514    HE2  LYS  28           HE3      LYS  28 -14.395   3.391  -7.094
  515    HE3  LYS  28           HE2      LYS  28 -13.791   2.153  -8.193
  516    HZ1  LYS  28           HZ1      LYS  28 -15.886   3.084  -8.955
  517    HZ2  LYS  28           HZ2      LYS  28 -16.648   2.614  -7.523
  518    HZ3  LYS  28           HZ3      LYS  28 -16.061   1.442  -8.593
  519    H    LYS  29           H        LYS  29 -16.134  -3.515  -4.765
  520    HA   LYS  29           HA       LYS  29 -18.347  -3.248  -6.633
  521    HB2  LYS  29           HB3      LYS  29 -16.677  -4.973  -7.045
  522    HB3  LYS  29           HB2      LYS  29 -17.032  -5.724  -5.499
  523    HG2  LYS  29           HG3      LYS  29 -19.292  -6.234  -6.278
  524    HG3  LYS  29           HG2      LYS  29 -18.933  -5.470  -7.826
  525    HD2  LYS  29           HD3      LYS  29 -17.110  -7.116  -8.160
  526    HD3  LYS  29           HD2      LYS  29 -17.609  -7.917  -6.668
  527    HE2  LYS  29           HE3      LYS  29 -18.557  -9.057  -8.582
  528    HE3  LYS  29           HE2      LYS  29 -19.832  -8.300  -7.633
  529    HZ1  LYS  29           HZ1      LYS  29 -18.660  -7.210 -10.133
  530    HZ2  LYS  29           HZ2      LYS  29 -19.890  -6.480  -9.228
  531    HZ3  LYS  29           HZ3      LYS  29 -20.167  -7.963  -9.996
  532    H    LEU  30           H        LEU  30 -17.938  -3.376  -3.281
  533    HA   LEU  30           HA       LEU  30 -20.538  -4.531  -2.766
  534    HB2  LEU  30           HB3      LEU  30 -18.630  -3.042  -0.967
  535    HB3  LEU  30           HB2      LEU  30 -20.149  -3.736  -0.437
  536    HG   LEU  30           HG       LEU  30 -17.812  -5.291  -1.547
  537   HD11  LEU  30          HD11      LEU  30 -17.369  -4.389   0.670
  538   HD12  LEU  30          HD12      LEU  30 -17.582  -6.138   0.729
  539   HD13  LEU  30          HD13      LEU  30 -18.882  -5.072   1.261
  540   HD21  LEU  30          HD21      LEU  30 -19.094  -7.263  -0.826
  541   HD22  LEU  30          HD22      LEU  30 -19.918  -6.360  -2.096
  542   HD23  LEU  30          HD23      LEU  30 -20.452  -6.215  -0.421
  543    H    VAL  31           H        VAL  31 -19.108  -1.376  -3.168
  544    HA   VAL  31           HA       VAL  31 -21.620  -0.022  -2.610
  545    HB   VAL  31           HB       VAL  31 -19.136   1.234  -3.784
  546   HG11  VAL  31          HG11      VAL  31 -21.176   2.581  -3.849
  547   HG12  VAL  31          HG12      VAL  31 -19.980   3.269  -2.749
  548   HG13  VAL  31          HG13      VAL  31 -21.363   2.383  -2.105
  549   HG21  VAL  31          HG21      VAL  31 -18.490   0.031  -1.756
  550   HG22  VAL  31          HG22      VAL  31 -19.764   0.857  -0.859
  551   HG23  VAL  31          HG23      VAL  31 -18.413   1.777  -1.521
  552    H    GLY  32           H        GLY  32 -19.829  -1.271  -5.294
  553    HA2  GLY  32           HA3      GLY  32 -21.427   0.268  -7.213
  554    HA3  GLY  32           HA2      GLY  32 -19.960  -0.624  -7.579
  555    H    GLU  33           H        GLU  33 -20.542  -3.092  -6.476
  556    HA   GLU  33           HA       GLU  33 -21.601  -5.056  -6.843
  557    HB2  GLU  33           HB3      GLU  33 -23.931  -3.345  -7.736
  558    HB3  GLU  33           HB2      GLU  33 -23.988  -5.090  -7.532
  559    HG2  GLU  33           HG3      GLU  33 -23.391  -3.114  -5.341
  560    HG3  GLU  33           HG2      GLU  33 -24.962  -3.855  -5.642
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  23.867   5.825  -6.811
    2    H2   GLY   1           H2       GLY   1  25.193   4.880  -6.356
    3    H3   GLY   1           H3       GLY   1  25.188   6.538  -6.037
    4    HA2  GLY   1           HA2      GLY   1  24.735   5.280  -4.031
    5    HA3  GLY   1           HA3      GLY   1  23.379   6.299  -4.491
    6    H    SER   2           H        SER   2  24.077   3.370  -3.298
    7    HA   SER   2           HA       SER   2  22.258   1.791  -4.910
    8    HB2  SER   2           HB3      SER   2  22.814   0.022  -3.169
    9    HB3  SER   2           HB2      SER   2  24.183   0.627  -4.102
   10    HG   SER   2           HG       SER   2  24.989   0.926  -2.166
   11    H    MET   3           H        MET   3  22.464   2.878  -1.543
   12    HA   MET   3           HA       MET   3  19.867   1.984  -0.829
   13    HB2  MET   3           HB3      MET   3  21.723   3.985   0.460
   14    HB3  MET   3           HB2      MET   3  20.226   3.421   1.194
   15    HG2  MET   3           HG3      MET   3  21.089   1.134   1.190
   16    HG3  MET   3           HG2      MET   3  22.586   1.705   0.457
   17    HE1  MET   3           HE1      MET   3  20.395   3.393   3.288
   18    HE2  MET   3           HE2      MET   3  21.195   2.766   4.729
   19    HE3  MET   3           HE3      MET   3  20.333   1.668   3.650
   20    H    LYS   4           H        LYS   4  21.110   4.901  -2.238
   21    HA   LYS   4           HA       LYS   4  19.038   6.689  -1.690
   22    HB2  LYS   4           HB3      LYS   4  21.147   7.402  -2.674
   23    HB3  LYS   4           HB2      LYS   4  20.806   6.486  -4.135
   24    HG2  LYS   4           HG3      LYS   4  18.906   7.937  -4.610
   25    HG3  LYS   4           HG2      LYS   4  19.232   8.852  -3.137
   26    HD2  LYS   4           HD3      LYS   4  21.402   9.517  -4.008
   27    HD3  LYS   4           HD2      LYS   4  21.137   8.548  -5.458
   28    HE2  LYS   4           HE3      LYS   4  19.470  10.908  -4.591
   29    HE3  LYS   4           HE2      LYS   4  20.704  10.932  -5.847
   30    HZ1  LYS   4           HZ1      LYS   4  18.217   9.307  -5.899
   31    HZ2  LYS   4           HZ2      LYS   4  19.400   9.329  -7.106
   32    HZ3  LYS   4           HZ3      LYS   4  18.490  10.721  -6.788
   33    H    GLN   5           H        GLN   5  19.376   4.297  -4.263
   34    HA   GLN   5           HA       GLN   5  17.022   5.063  -5.660
   35    HB2  GLN   5           HB3      GLN   5  18.628   2.503  -5.695
   36    HB3  GLN   5           HB2      GLN   5  17.307   2.851  -6.800
   37    HG2  GLN   5           HG3      GLN   5  18.507   4.682  -7.763
   38    HG3  GLN   5           HG2      GLN   5  19.778   4.547  -6.548
   39   HE21  GLN   5          HE21      GLN   5  21.289   2.917  -6.710
   40   HE22  GLN   5          HE22      GLN   5  21.489   1.971  -8.147
   41    H    LEU   6           H        LEU   6  17.764   2.546  -3.291
   42    HA   LEU   6           HA       LEU   6  15.209   1.321  -3.418
   43    HB2  LEU   6           HB3      LEU   6  17.557   1.112  -1.585
   44    HB3  LEU   6           HB2      LEU   6  16.033   0.406  -1.096
   45    HG   LEU   6           HG       LEU   6  17.466  -1.279  -2.091
   46   HD11  LEU   6          HD11      LEU   6  15.183  -0.599  -3.935
   47   HD12  LEU   6          HD12      LEU   6  15.043  -1.464  -2.405
   48   HD13  LEU   6          HD13      LEU   6  15.945  -2.178  -3.742
   49   HD21  LEU   6          HD21      LEU   6  18.819   0.140  -3.530
   50   HD22  LEU   6          HD22      LEU   6  17.425   0.437  -4.569
   51   HD23  LEU   6          HD23      LEU   6  18.105  -1.185  -4.449
   52    H    GLU   7           H        GLU   7  16.572   3.845  -1.356
   53    HA   GLU   7           HA       GLU   7  14.477   3.802   0.553
   54    HB2  GLU   7           HB3      GLU   7  15.358   5.852   1.403
   55    HB3  GLU   7           HB2      GLU   7  16.717   4.842   0.940
   56    HG2  GLU   7           HG3      GLU   7  16.977   6.121  -1.115
   57    HG3  GLU   7           HG2      GLU   7  15.600   7.126  -0.669
   58    H    ASP   8           H        ASP   8  14.759   5.160  -2.605
   59    HA   ASP   8           HA       ASP   8  12.526   6.955  -2.317
   60    HB2  ASP   8           HB3      ASP   8  14.254   6.074  -4.588
   61    HB3  ASP   8           HB2      ASP   8  12.681   6.777  -4.955
   62    H    LYS   9           H        LYS   9  13.073   3.680  -3.396
   63    HA   LYS   9           HA       LYS   9  10.518   3.243  -4.532
   64    HB2  LYS   9           HB3      LYS   9  12.584   1.342  -3.427
   65    HB3  LYS   9           HB2      LYS   9  11.098   0.808  -4.197
   66    HG2  LYS   9           HG3      LYS   9  13.191   2.517  -5.522
   67    HG3  LYS   9           HG2      LYS   9  13.057   0.765  -5.696
   68    HD2  LYS   9           HD3      LYS   9  10.763   1.074  -6.582
   69    HD3  LYS   9           HD2      LYS   9  11.000   2.820  -6.502
   70    HE2  LYS   9           HE3      LYS   9  12.886   2.630  -8.048
   71    HE3  LYS   9           HE2      LYS   9  12.641   0.887  -8.133
   72    HZ1  LYS   9           HZ1      LYS   9  10.449   1.280  -9.075
   73    HZ2  LYS   9           HZ2      LYS   9  11.644   2.011 -10.019
   74    HZ3  LYS   9           HZ3      LYS   9  10.688   2.952  -8.992
   75    H    VAL  10           H        VAL  10  11.880   2.354  -1.357
   76    HA   VAL  10           HA       VAL  10   9.516   1.182  -0.383
   77    HB   VAL  10           HB       VAL  10  11.655   0.704   0.658
   78   HG11  VAL  10          HG11      VAL  10  12.792   2.307   2.096
   79   HG12  VAL  10          HG12      VAL  10  11.615   3.546   1.657
   80   HG13  VAL  10          HG13      VAL  10  12.703   2.892   0.434
   81   HG21  VAL  10          HG21      VAL  10  10.999   0.971   3.038
   82   HG22  VAL  10          HG22      VAL  10   9.714   0.325   2.016
   83   HG23  VAL  10          HG23      VAL  10   9.679   2.016   2.514
   84    H    GLU  11           H        GLU  11  10.736   4.507  -0.133
   85    HA   GLU  11           HA       GLU  11   8.675   5.418   1.595
   86    HB2  GLU  11           HB3      GLU  11  10.813   6.615   1.308
   87    HB3  GLU  11           HB2      GLU  11  10.372   6.996  -0.349
   88    HG2  GLU  11           HG3      GLU  11   8.462   8.291   0.458
   89    HG3  GLU  11           HG2      GLU  11   8.916   7.920   2.120
   90    H    GLU  12           H        GLU  12   9.039   5.264  -1.906
   91    HA   GLU  12           HA       GLU  12   6.818   6.781  -2.640
   92    HB2  GLU  12           HB3      GLU  12   8.534   5.997  -4.223
   93    HB3  GLU  12           HB2      GLU  12   7.939   4.352  -4.045
   94    HG2  GLU  12           HG3      GLU  12   5.835   4.953  -5.040
   95    HG3  GLU  12           HG2      GLU  12   6.309   6.651  -5.099
   96    H    LEU  13           H        LEU  13   6.973   3.202  -2.355
   97    HA   LEU  13           HA       LEU  13   4.135   3.011  -2.516
   98    HB2  LEU  13           HB3      LEU  13   6.201   0.956  -1.780
   99    HB3  LEU  13           HB2      LEU  13   4.481   0.617  -1.807
  100    HG   LEU  13           HG       LEU  13   4.678   1.650  -4.237
  101   HD11  LEU  13          HD11      LEU  13   7.046   2.171  -4.089
  102   HD12  LEU  13          HD12      LEU  13   6.755   0.944  -5.322
  103   HD13  LEU  13          HD13      LEU  13   7.415   0.479  -3.753
  104   HD21  LEU  13          HD21      LEU  13   3.807  -0.554  -3.681
  105   HD22  LEU  13          HD22      LEU  13   5.452  -1.175  -3.524
  106   HD23  LEU  13          HD23      LEU  13   4.861  -0.629  -5.093
  107    H    LEU  14           H        LEU  14   6.281   3.455   0.194
  108    HA   LEU  14           HA       LEU  14   4.506   2.769   2.240
  109    HB2  LEU  14           HB3      LEU  14   6.842   3.328   2.655
  110    HB3  LEU  14           HB2      LEU  14   6.595   4.962   2.100
  111    HG   LEU  14           HG       LEU  14   6.823   4.617   4.590
  112   HD11  LEU  14          HD11      LEU  14   5.977   6.685   3.665
  113   HD12  LEU  14          HD12      LEU  14   5.134   6.275   5.160
  114   HD13  LEU  14          HD13      LEU  14   4.348   6.009   3.603
  115   HD21  LEU  14          HD21      LEU  14   4.871   3.907   5.835
  116   HD22  LEU  14          HD22      LEU  14   5.427   2.614   4.771
  117   HD23  LEU  14          HD23      LEU  14   4.012   3.573   4.332
  118    H    SER  15           H        SER  15   4.888   5.752   0.371
  119    HA   SER  15           HA       SER  15   2.686   7.079   1.597
  120    HB2  SER  15           HB3      SER  15   4.588   8.250   0.477
  121    HB3  SER  15           HB2      SER  15   3.998   7.650  -1.073
  122    HG   SER  15           HG       SER  15   2.616   9.361   0.723
  123    H    LYS  16           H        LYS  16   3.161   5.292  -1.448
  124    HA   LYS  16           HA       LYS  16   0.615   5.658  -2.530
  125    HB2  LYS  16           HB3      LYS  16   2.743   4.567  -3.538
  126    HB3  LYS  16           HB2      LYS  16   2.123   3.078  -2.841
  127    HG2  LYS  16           HG3      LYS  16   0.144   3.193  -4.177
  128    HG3  LYS  16           HG2      LYS  16   0.571   4.805  -4.756
  129    HD2  LYS  16           HD3      LYS  16   1.209   3.430  -6.519
  130    HD3  LYS  16           HD2      LYS  16   2.715   3.674  -5.640
  131    HE2  LYS  16           HE3      LYS  16   2.707   1.391  -6.068
  132    HE3  LYS  16           HE2      LYS  16   2.109   1.495  -4.414
  133    HZ1  LYS  16           HZ1      LYS  16   0.468   1.131  -6.864
  134    HZ2  LYS  16           HZ2      LYS  16  -0.161   1.337  -5.313
  135    HZ3  LYS  16           HZ3      LYS  16   0.764  -0.030  -5.670
  136    H    ASN  17           H        ASN  17   1.733   3.309  -0.131
  137    HA   ASN  17           HA       ASN  17  -0.560   1.683  -0.093
  138    HB2  ASN  17           HB3      ASN  17   1.580   1.011   0.911
  139    HB3  ASN  17           HB2      ASN  17   1.410   2.269   2.130
  140   HD21  ASN  17          HD21      ASN  17   0.245  -0.810   1.005
  141   HD22  ASN  17          HD22      ASN  17  -0.610  -1.238   2.443
  142    H    TYR  18           H        TYR  18   0.326   4.500   1.912
  143    HA   TYR  18           HA       TYR  18  -2.064   4.417   3.432
  144    HB2  TYR  18           HB3      TYR  18  -0.013   6.577   2.997
  145    HB3  TYR  18           HB2      TYR  18  -1.441   6.832   3.997
  146    HD1  TYR  18           HD1      TYR  18   1.904   6.084   4.185
  147    HD2  TYR  18           HD2      TYR  18  -1.831   4.688   5.661
  148    HE1  TYR  18           HE1      TYR  18   3.052   5.036   6.090
  149    HE2  TYR  18           HE2      TYR  18  -0.694   3.636   7.570
  150    HH   TYR  18           HH       TYR  18   1.466   2.836   8.212
  151    H    HIS  19           H        HIS  19  -1.186   6.006   0.424
  152    HA   HIS  19           HA       HIS  19  -3.533   7.584   0.195
  153    HB2  HIS  19           HB3      HIS  19  -1.691   6.464  -1.928
  154    HB3  HIS  19           HB2      HIS  19  -3.005   7.586  -2.265
  155    HD1  HIS  19           HD1      HIS  19  -0.212   8.447  -2.998
  156    HD2  HIS  19           HD2      HIS  19  -1.912   9.206   0.716
  157    HE1  HIS  19           HE1      HIS  19   1.047  10.412  -2.067
  158    HE2  HIS  19           HE2      HIS  19  -0.128  10.966   0.088
  159    H    LEU  20           H        LEU  20  -2.734   4.286  -0.663
  160    HA   LEU  20           HA       LEU  20  -5.173   3.724  -2.007
  161    HB2  LEU  20           HB3      LEU  20  -3.132   2.459  -2.414
  162    HB3  LEU  20           HB2      LEU  20  -3.105   1.927  -0.745
  163    HG   LEU  20           HG       LEU  20  -5.197   0.689  -1.129
  164   HD11  LEU  20          HD11      LEU  20  -6.112   2.015  -2.954
  165   HD12  LEU  20          HD12      LEU  20  -5.971   0.320  -3.423
  166   HD13  LEU  20          HD13      LEU  20  -4.794   1.498  -4.004
  167   HD21  LEU  20          HD21      LEU  20  -2.972   0.010  -3.040
  168   HD22  LEU  20          HD22      LEU  20  -4.193  -1.102  -2.430
  169   HD23  LEU  20          HD23      LEU  20  -3.016  -0.396  -1.327
  170    H    GLU  21           H        GLU  21  -4.049   3.562   1.312
  171    HA   GLU  21           HA       GLU  21  -6.254   2.143   2.377
  172    HB2  GLU  21           HB3      GLU  21  -4.056   2.605   3.546
  173    HB3  GLU  21           HB2      GLU  21  -4.633   4.243   3.820
  174    HG2  GLU  21           HG3      GLU  21  -6.539   3.351   5.077
  175    HG3  GLU  21           HG2      GLU  21  -5.928   1.717   4.823
  176    H    ASN  22           H        ASN  22  -5.648   5.540   1.716
  177    HA   ASN  22           HA       ASN  22  -7.979   6.639   2.816
  178    HB2  ASN  22           HB3      ASN  22  -6.482   7.514   0.336
  179    HB3  ASN  22           HB2      ASN  22  -7.674   8.478   1.192
  180   HD21  ASN  22          HD21      ASN  22  -6.715   7.572   3.822
  181   HD22  ASN  22          HD22      ASN  22  -5.229   8.414   4.086
  182    H    GLU  23           H        GLU  23  -7.377   4.877  -0.111
  183    HA   GLU  23           HA       GLU  23  -9.760   5.577  -1.477
  184    HB2  GLU  23           HB3      GLU  23  -7.725   4.715  -2.608
  185    HB3  GLU  23           HB2      GLU  23  -8.022   3.129  -1.862
  186    HG2  GLU  23           HG3      GLU  23 -10.148   2.976  -3.048
  187    HG3  GLU  23           HG2      GLU  23  -9.861   4.553  -3.781
  188    H    VAL  24           H        VAL  24  -8.849   2.915   0.667
  189    HA   VAL  24           HA       VAL  24 -11.229   1.408   0.336
  190    HB   VAL  24           HB       VAL  24  -9.810   1.391   2.970
  191   HG11  VAL  24          HG11      VAL  24 -10.873  -0.820   1.208
  192   HG12  VAL  24          HG12      VAL  24 -11.700  -0.109   2.595
  193   HG13  VAL  24          HG13      VAL  24 -10.204  -1.013   2.828
  194   HG21  VAL  24          HG21      VAL  24  -8.186  -0.282   1.861
  195   HG22  VAL  24          HG22      VAL  24  -7.879   1.443   1.703
  196   HG23  VAL  24          HG23      VAL  24  -8.604   0.558   0.369
  197    H    ALA  25           H        ALA  25 -10.306   4.117   2.329
  198    HA   ALA  25           HA       ALA  25 -12.497   4.045   4.118
  199    HB1  ALA  25           HB1      ALA  25 -10.419   5.302   4.542
  200    HB2  ALA  25           HB2      ALA  25 -11.871   6.281   4.744
  201    HB3  ALA  25           HB3      ALA  25 -10.890   6.451   3.289
  202    H    ARG  26           H        ARG  26 -12.120   5.311   0.891
  203    HA   ARG  26           HA       ARG  26 -14.394   6.992   0.860
  204    HB2  ARG  26           HB3      ARG  26 -13.700   5.475  -1.611
  205    HB3  ARG  26           HB2      ARG  26 -14.142   7.162  -1.426
  206    HG2  ARG  26           HG3      ARG  26 -11.833   7.386  -0.282
  207    HG3  ARG  26           HG2      ARG  26 -11.496   5.844  -1.084
  208    HD2  ARG  26           HD2      ARG  26 -10.746   7.710  -2.454
  209    HD3  ARG  26           HD1      ARG  26 -12.057   6.831  -3.240
  210    HE   ARG  26           HE       ARG  26 -13.221   8.918  -1.821
  211   HH11  ARG  26          HH11      ARG  26 -10.950   8.545  -4.455
  212   HH12  ARG  26          HH12      ARG  26 -11.431  10.005  -5.252
  213   HH21  ARG  26          HH21      ARG  26 -13.853  10.859  -2.863
  214   HH22  ARG  26          HH22      ARG  26 -13.072  11.329  -4.338
  215    H    LEU  27           H        LEU  27 -13.918   3.629  -0.110
  216    HA   LEU  27           HA       LEU  27 -16.518   3.241  -1.083
  217    HB2  LEU  27           HB3      LEU  27 -14.355   1.350  -0.241
  218    HB3  LEU  27           HB2      LEU  27 -15.936   0.762  -0.703
  219    HG   LEU  27           HG       LEU  27 -15.678   1.839  -2.910
  220   HD11  LEU  27          HD11      LEU  27 -12.889   2.429  -1.952
  221   HD12  LEU  27          HD12      LEU  27 -14.126   3.604  -2.401
  222   HD13  LEU  27          HD13      LEU  27 -13.432   2.543  -3.627
  223   HD21  LEU  27          HD21      LEU  27 -15.187  -0.477  -2.691
  224   HD22  LEU  27          HD22      LEU  27 -13.566  -0.123  -2.090
  225   HD23  LEU  27          HD23      LEU  27 -13.990   0.258  -3.760
  226    H    LYS  28           H        LYS  28 -15.145   2.426   2.131
  227    HA   LYS  28           HA       LYS  28 -17.490   1.107   2.960
  228    HB2  LYS  28           HB3      LYS  28 -16.649   1.488   5.317
  229    HB3  LYS  28           HB2      LYS  28 -15.624   0.568   4.235
  230    HG2  LYS  28           HG3      LYS  28 -14.252   2.596   3.881
  231    HG3  LYS  28           HG2      LYS  28 -15.251   3.432   5.078
  232    HD2  LYS  28           HD3      LYS  28 -14.638   1.789   6.766
  233    HD3  LYS  28           HD2      LYS  28 -13.691   0.893   5.577
  234    HE2  LYS  28           HE3      LYS  28 -12.144   2.726   5.367
  235    HE3  LYS  28           HE2      LYS  28 -13.136   3.737   6.419
  236    HZ1  LYS  28           HZ1      LYS  28 -11.270   2.817   7.621
  237    HZ2  LYS  28           HZ2      LYS  28 -11.728   1.244   7.205
  238    HZ3  LYS  28           HZ3      LYS  28 -12.710   2.167   8.225
  239    H    LYS  29           H        LYS  29 -16.750   4.522   2.889
  240    HA   LYS  29           HA       LYS  29 -18.881   5.346   4.542
  241    HB2  LYS  29           HB3      LYS  29 -17.521   6.726   2.229
  242    HB3  LYS  29           HB2      LYS  29 -18.697   7.496   3.275
  243    HG2  LYS  29           HG3      LYS  29 -17.204   7.020   5.206
  244    HG3  LYS  29           HG2      LYS  29 -16.001   6.427   4.064
  245    HD2  LYS  29           HD3      LYS  29 -17.169   9.198   3.917
  246    HD3  LYS  29           HD2      LYS  29 -15.729   8.818   4.858
  247    HE2  LYS  29           HE3      LYS  29 -14.892   9.608   2.828
  248    HE3  LYS  29           HE2      LYS  29 -14.783   7.857   2.685
  249    HZ1  LYS  29           HZ1      LYS  29 -17.001   9.485   1.567
  250    HZ2  LYS  29           HZ2      LYS  29 -16.726   7.838   1.311
  251    HZ3  LYS  29           HZ3      LYS  29 -15.653   8.981   0.680
  252    H    LEU  30           H        LEU  30 -18.630   4.506   1.137
  253    HA   LEU  30           HA       LEU  30 -21.340   5.134   0.482
  254    HB2  LEU  30           HB3      LEU  30 -19.160   3.581  -0.848
  255    HB3  LEU  30           HB2      LEU  30 -20.800   3.450  -1.449
  256    HG   LEU  30           HG       LEU  30 -20.814   5.935  -1.767
  257   HD11  LEU  30          HD11      LEU  30 -19.053   6.520  -0.186
  258   HD12  LEU  30          HD12      LEU  30 -18.687   7.120  -1.802
  259   HD13  LEU  30          HD13      LEU  30 -17.867   5.684  -1.188
  260   HD21  LEU  30          HD21      LEU  30 -19.427   5.887  -3.785
  261   HD22  LEU  30          HD22      LEU  30 -20.413   4.434  -3.627
  262   HD23  LEU  30          HD23      LEU  30 -18.694   4.380  -3.237
  263    H    VAL  31           H        VAL  31 -19.655   2.282   1.651
  264    HA   VAL  31           HA       VAL  31 -21.820   0.469   1.374
  265    HB   VAL  31           HB       VAL  31 -19.534   0.340   3.372
  266   HG11  VAL  31          HG11      VAL  31 -19.983  -2.042   3.464
  267   HG12  VAL  31          HG12      VAL  31 -21.310  -1.862   2.318
  268   HG13  VAL  31          HG13      VAL  31 -21.427  -1.141   3.924
  269   HG21  VAL  31          HG21      VAL  31 -18.444  -1.125   1.753
  270   HG22  VAL  31          HG22      VAL  31 -18.717   0.483   1.085
  271   HG23  VAL  31          HG23      VAL  31 -19.764  -0.855   0.615
  272    H    GLY  32           H        GLY  32 -21.015   2.907   3.715
  273    HA2  GLY  32           HA3      GLY  32 -23.226   3.659   4.776
  274    HA3  GLY  32           HA2      GLY  32 -23.240   2.029   5.432
  275    H    GLU  33           H        GLU  33 -20.557   4.298   5.036
  276    HA   GLU  33           HA       GLU  33 -19.029   5.150   6.474
  277    HB2  GLU  33           HB3      GLU  33 -21.387   5.073   8.351
  278    HB3  GLU  33           HB2      GLU  33 -19.852   5.835   8.740
  279    HG2  GLU  33           HG3      GLU  33 -20.131   7.357   6.849
  280    HG3  GLU  33           HG2      GLU  33 -21.677   6.597   6.473
  281    H1   GLY   1           H1       GLY   1  23.895  -6.034   6.107
  282    H2   GLY   1           H2       GLY   1  25.211  -5.079   5.645
  283    H3   GLY   1           H3       GLY   1  25.216  -6.738   5.320
  284    HA2  GLY   1           HA2      GLY   1  24.740  -5.481   3.322
  285    HA3  GLY   1           HA3      GLY   1  23.386  -6.499   3.793
  286    H    SER   2           H        SER   2  24.091  -3.565   2.612
  287    HA   SER   2           HA       SER   2  22.277  -1.994   4.232
  288    HB2  SER   2           HB3      SER   2  22.833  -0.219   2.492
  289    HB3  SER   2           HB2      SER   2  24.202  -0.828   3.425
  290    HG   SER   2           HG       SER   2  24.992  -1.082   1.469
  291    H    MET   3           H        MET   3  22.471  -3.071   0.860
  292    HA   MET   3           HA       MET   3  19.874  -2.172   0.160
  293    HB2  MET   3           HB3      MET   3  21.722  -4.168  -1.146
  294    HB3  MET   3           HB2      MET   3  20.222  -3.600  -1.870
  295    HG2  MET   3           HG3      MET   3  21.090  -1.315  -1.865
  296    HG3  MET   3           HG2      MET   3  22.591  -1.890  -1.142
  297    HE1  MET   3           HE1      MET   3  20.373  -3.555  -3.973
  298    HE2  MET   3           HE2      MET   3  21.168  -2.920  -5.413
  299    HE3  MET   3           HE3      MET   3  20.320  -1.826  -4.320
  300    H    LYS   4           H        LYS   4  21.124  -5.101   1.547
  301    HA   LYS   4           HA       LYS   4  19.041  -6.875   1.005
  302    HB2  LYS   4           HB3      LYS   4  21.148  -7.601   1.980
  303    HB3  LYS   4           HB2      LYS   4  20.819  -6.684   3.442
  304    HG2  LYS   4           HG3      LYS   4  18.916  -8.132   3.929
  305    HG3  LYS   4           HG2      LYS   4  19.229  -9.041   2.450
  306    HD2  LYS   4           HD3      LYS   4  21.404  -9.714   3.301
  307    HD3  LYS   4           HD2      LYS   4  21.147  -8.757   4.761
  308    HE2  LYS   4           HE3      LYS   4  19.470 -11.106   3.881
  309    HE3  LYS   4           HE2      LYS   4  20.712 -11.146   5.130
  310    HZ1  LYS   4           HZ1      LYS   4  18.234  -9.514   5.212
  311    HZ2  LYS   4           HZ2      LYS   4  19.423  -9.550   6.409
  312    HZ3  LYS   4           HZ3      LYS   4  18.511 -10.933   6.088
  313    H    GLN   5           H        GLN   5  19.395  -4.495   3.587
  314    HA   GLN   5           HA       GLN   5  17.045  -5.265   4.991
  315    HB2  GLN   5           HB3      GLN   5  18.656  -2.710   5.030
  316    HB3  GLN   5           HB2      GLN   5  17.337  -3.060   6.139
  317    HG2  GLN   5           HG3      GLN   5  18.535  -4.902   7.083
  318    HG3  GLN   5           HG2      GLN   5  19.804  -4.758   5.868
  319   HE21  GLN   5          HE21      GLN   5  21.311  -3.129   6.040
  320   HE22  GLN   5          HE22      GLN   5  21.518  -2.197   7.484
  321    H    LEU   6           H        LEU   6  17.780  -2.733   2.636
  322    HA   LEU   6           HA       LEU   6  15.226  -1.510   2.772
  323    HB2  LEU   6           HB3      LEU   6  17.568  -1.295   0.932
  324    HB3  LEU   6           HB2      LEU   6  16.043  -0.586   0.450
  325    HG   LEU   6           HG       LEU   6  17.480   1.094   1.444
  326   HD11  LEU   6          HD11      LEU   6  15.206   0.407   3.297
  327   HD12  LEU   6          HD12      LEU   6  15.058   1.281   1.773
  328   HD13  LEU   6          HD13      LEU   6  15.969   1.985   3.109
  329   HD21  LEU   6          HD21      LEU   6  18.836  -0.331   2.872
  330   HD22  LEU   6          HD22      LEU   6  17.447  -0.632   3.914
  331   HD23  LEU   6          HD23      LEU   6  18.129   0.991   3.800
  332    H    GLU   7           H        GLU   7  16.579  -4.030   0.687
  333    HA   GLU   7           HA       GLU   7  14.471  -3.973  -1.210
  334    HB2  GLU   7           HB3      GLU   7  15.343  -6.025  -2.074
  335    HB3  GLU   7           HB2      GLU   7  16.704  -5.013  -1.618
  336    HG2  GLU   7           HG3      GLU   7  16.978  -6.299   0.436
  337    HG3  GLU   7           HG2      GLU   7  15.604  -7.310  -0.013
  338    H    ASP   8           H        ASP   8  14.765  -5.347   1.938
  339    HA   ASP   8           HA       ASP   8  12.524  -7.132   1.654
  340    HB2  ASP   8           HB3      ASP   8  14.271  -6.268   3.914
  341    HB3  ASP   8           HB2      ASP   8  12.699  -6.963   4.292
  342    H    LYS   9           H        LYS   9  13.085  -3.860   2.736
  343    HA   LYS   9           HA       LYS   9  10.536  -3.432   3.899
  344    HB2  LYS   9           HB3      LYS   9  12.599  -1.523   2.795
  345    HB3  LYS   9           HB2      LYS   9  11.117  -0.992   3.575
  346    HG2  LYS   9           HG3      LYS   9  13.213  -2.712   4.878
  347    HG3  LYS   9           HG2      LYS   9  13.084  -0.962   5.062
  348    HD2  LYS   9           HD3      LYS   9  10.793  -1.274   5.961
  349    HD3  LYS   9           HD2      LYS   9  11.031  -3.020   5.872
  350    HE2  LYS   9           HE3      LYS   9  12.926  -2.835   7.411
  351    HE3  LYS   9           HE2      LYS   9  12.684  -1.092   7.499
  352    HZ1  LYS   9           HZ1      LYS   9  10.500  -1.481   8.455
  353    HZ2  LYS   9           HZ2      LYS   9  11.700  -2.220   9.388
  354    HZ3  LYS   9           HZ3      LYS   9  10.733  -3.154   8.368
  355    H    VAL  10           H        VAL  10  11.885  -2.528   0.724
  356    HA   VAL  10           HA       VAL  10   9.518  -1.350  -0.237
  357    HB   VAL  10           HB       VAL  10  11.655  -0.867  -1.282
  358   HG11  VAL  10          HG11      VAL  10  12.786  -2.465  -2.733
  359   HG12  VAL  10          HG12      VAL  10  11.609  -3.703  -2.296
  360   HG13  VAL  10          HG13      VAL  10  12.703  -3.058  -1.074
  361   HG21  VAL  10          HG21      VAL  10  10.989  -1.122  -3.662
  362   HG22  VAL  10          HG22      VAL  10   9.714  -0.474  -2.631
  363   HG23  VAL  10          HG23      VAL  10   9.667  -2.162  -3.136
  364    H    GLU  11           H        GLU  11  10.735  -4.673  -0.504
  365    HA   GLU  11           HA       GLU  11   8.671  -5.571  -2.235
  366    HB2  GLU  11           HB3      GLU  11  10.802  -6.779  -1.960
  367    HB3  GLU  11           HB2      GLU  11  10.370  -7.161  -0.300
  368    HG2  GLU  11           HG3      GLU  11   8.450  -8.447  -1.102
  369    HG3  GLU  11           HG2      GLU  11   8.903  -8.076  -2.764
  370    H    GLU  12           H        GLU  12   9.044  -5.440   1.266
  371    HA   GLU  12           HA       GLU  12   6.822  -6.955   2.004
  372    HB2  GLU  12           HB3      GLU  12   8.546  -6.176   3.584
  373    HB3  GLU  12           HB2      GLU  12   7.954  -4.530   3.413
  374    HG2  GLU  12           HG3      GLU  12   5.851  -5.132   4.417
  375    HG3  GLU  12           HG2      GLU  12   6.325  -6.829   4.472
  376    H    LEU  13           H        LEU  13   6.982  -3.375   1.734
  377    HA   LEU  13           HA       LEU  13   4.147  -3.180   1.907
  378    HB2  LEU  13           HB3      LEU  13   6.212  -1.124   1.173
  379    HB3  LEU  13           HB2      LEU  13   4.492  -0.783   1.208
  380    HG   LEU  13           HG       LEU  13   4.698  -1.826   3.632
  381   HD11  LEU  13          HD11      LEU  13   7.063  -2.351   3.470
  382   HD12  LEU  13          HD12      LEU  13   6.782  -1.129   4.710
  383   HD13  LEU  13          HD13      LEU  13   7.435  -0.659   3.141
  384   HD21  LEU  13          HD21      LEU  13   3.829   0.385   3.089
  385   HD22  LEU  13          HD22      LEU  13   5.475   1.003   2.929
  386   HD23  LEU  13          HD23      LEU  13   4.889   0.449   4.497
  387    H    LEU  14           H        LEU  14   6.280  -3.616  -0.813
  388    HA   LEU  14           HA       LEU  14   4.495  -2.916  -2.847
  389    HB2  LEU  14           HB3      LEU  14   6.827  -3.473  -3.276
  390    HB3  LEU  14           HB2      LEU  14   6.584  -5.109  -2.728
  391    HG   LEU  14           HG       LEU  14   6.801  -4.755  -5.217
  392   HD11  LEU  14          HD11      LEU  14   5.955  -6.824  -4.300
  393   HD12  LEU  14          HD12      LEU  14   5.103  -6.407  -5.788
  394   HD13  LEU  14          HD13      LEU  14   4.328  -6.146  -4.224
  395   HD21  LEU  14          HD21      LEU  14   4.845  -4.037  -6.451
  396   HD22  LEU  14          HD22      LEU  14   5.407  -2.752  -5.381
  397   HD23  LEU  14          HD23      LEU  14   3.992  -3.708  -4.943
  398    H    SER  15           H        SER  15   4.881  -5.902  -0.993
  399    HA   SER  15           HA       SER  15   2.675  -7.226  -2.218
  400    HB2  SER  15           HB3      SER  15   4.588  -8.396  -1.108
  401    HB3  SER  15           HB2      SER  15   3.995  -7.810   0.444
  402    HG   SER  15           HG       SER  15   2.611  -9.505  -1.366
  403    H    LYS  16           H        LYS  16   3.163  -5.451   0.834
  404    HA   LYS  16           HA       LYS  16   0.620  -5.818   1.925
  405    HB2  LYS  16           HB3      LYS  16   2.755  -4.736   2.926
  406    HB3  LYS  16           HB2      LYS  16   2.135  -3.243   2.238
  407    HG2  LYS  16           HG3      LYS  16   0.164  -3.357   3.585
  408    HG3  LYS  16           HG2      LYS  16   0.588  -4.970   4.156
  409    HD2  LYS  16           HD3      LYS  16   1.237  -3.605   5.920
  410    HD3  LYS  16           HD2      LYS  16   2.741  -3.852   5.034
  411    HE2  LYS  16           HE3      LYS  16   2.739  -1.566   5.467
  412    HE3  LYS  16           HE2      LYS  16   2.133  -1.667   3.817
  413    HZ1  LYS  16           HZ1      LYS  16   0.505  -1.309   6.272
  414    HZ2  LYS  16           HZ2      LYS  16  -0.131  -1.511   4.724
  415    HZ3  LYS  16           HZ3      LYS  16   0.793  -0.146   5.080
  416    H    ASN  17           H        ASN  17   1.730  -3.463  -0.470
  417    HA   ASN  17           HA       ASN  17  -0.558  -1.832  -0.486
  418    HB2  ASN  17           HB3      ASN  17   1.576  -1.155  -1.498
  419    HB3  ASN  17           HB2      ASN  17   1.401  -2.407  -2.722
  420   HD21  ASN  17          HD21      ASN  17   0.244   0.670  -1.582
  421   HD22  ASN  17          HD22      ASN  17  -0.619   1.102  -3.015
  422    H    TYR  18           H        TYR  18   0.315  -4.640  -2.508
  423    HA   TYR  18           HA       TYR  18  -2.079  -4.548  -4.018
  424    HB2  TYR  18           HB3      TYR  18  -0.029  -6.712  -3.601
  425    HB3  TYR  18           HB2      TYR  18  -1.461  -6.962  -4.595
  426    HD1  TYR  18           HD1      TYR  18   1.881  -6.220  -4.795
  427    HD2  TYR  18           HD2      TYR  18  -1.858  -4.805  -6.247
  428    HE1  TYR  18           HE1      TYR  18   3.022  -5.170  -6.702
  429    HE2  TYR  18           HE2      TYR  18  -0.727  -3.751  -8.154
  430    HH   TYR  18           HH       TYR  18   1.440  -2.955  -8.801
  431    H    HIS  19           H        HIS  19  -1.193  -6.158  -1.024
  432    HA   HIS  19           HA       HIS  19  -3.544  -7.727  -0.789
  433    HB2  HIS  19           HB3      HIS  19  -1.686  -6.622   1.329
  434    HB3  HIS  19           HB2      HIS  19  -3.002  -7.737   1.671
  435    HD1  HIS  19           HD1      HIS  19  -0.214  -8.621   2.392
  436    HD2  HIS  19           HD2      HIS  19  -1.919  -9.343  -1.329
  437    HE1  HIS  19           HE1      HIS  19   1.034 -10.586   1.447
  438    HE2  HIS  19           HE2      HIS  19  -0.131 -11.109  -0.726
  439    H    LEU  20           H        LEU  20  -2.733  -4.430   0.078
  440    HA   LEU  20           HA       LEU  20  -5.166  -3.875   1.434
  441    HB2  LEU  20           HB3      LEU  20  -3.123  -2.616   1.839
  442    HB3  LEU  20           HB2      LEU  20  -3.101  -2.075   0.174
  443    HG   LEU  20           HG       LEU  20  -5.191  -0.837   0.573
  444   HD11  LEU  20          HD11      LEU  20  -6.098  -2.169   2.394
  445   HD12  LEU  20          HD12      LEU  20  -5.952  -0.478   2.874
  446   HD13  LEU  20          HD13      LEU  20  -4.773  -1.662   3.443
  447   HD21  LEU  20          HD21      LEU  20  -2.957  -0.166   2.480
  448   HD22  LEU  20          HD22      LEU  20  -4.180   0.949   1.877
  449   HD23  LEU  20          HD23      LEU  20  -3.006   0.247   0.768
  450    H    GLU  21           H        GLU  21  -4.057  -3.699  -1.889
  451    HA   GLU  21           HA       GLU  21  -6.264  -2.271  -2.937
  452    HB2  GLU  21           HB3      GLU  21  -4.068  -2.732  -4.114
  453    HB3  GLU  21           HB2      GLU  21  -4.651  -4.367  -4.394
  454    HG2  GLU  21           HG3      GLU  21  -6.558  -3.461  -5.641
  455    HG3  GLU  21           HG2      GLU  21  -5.938  -1.831  -5.383
  456    H    ASN  22           H        ASN  22  -5.661  -5.672  -2.290
  457    HA   ASN  22           HA       ASN  22  -7.996  -6.760  -3.391
  458    HB2  ASN  22           HB3      ASN  22  -6.486  -7.651  -0.922
  459    HB3  ASN  22           HB2      ASN  22  -7.691  -8.608  -1.770
  460   HD21  ASN  22          HD21      ASN  22  -6.748  -7.685  -4.406
  461   HD22  ASN  22          HD22      ASN  22  -5.274  -8.540  -4.689
  462    H    GLU  23           H        GLU  23  -7.379  -5.018  -0.455
  463    HA   GLU  23           HA       GLU  23  -9.761  -5.717   0.913
  464    HB2  GLU  23           HB3      GLU  23  -7.721  -4.865   2.040
  465    HB3  GLU  23           HB2      GLU  23  -8.019  -3.274   1.305
  466    HG2  GLU  23           HG3      GLU  23 -10.136  -3.125   2.505
  467    HG3  GLU  23           HG2      GLU  23  -9.850  -4.707   3.226
  468    H    VAL  24           H        VAL  24  -8.849  -3.044  -1.214
  469    HA   VAL  24           HA       VAL  24 -11.228  -1.536  -0.872
  470    HB   VAL  24           HB       VAL  24  -9.820  -1.513  -3.509
  471   HG11  VAL  24          HG11      VAL  24 -10.872   0.694  -1.737
  472   HG12  VAL  24          HG12      VAL  24 -11.705  -0.010  -3.122
  473   HG13  VAL  24          HG13      VAL  24 -10.209   0.890  -3.359
  474   HG21  VAL  24          HG21      VAL  24  -8.190   0.155  -2.403
  475   HG22  VAL  24          HG22      VAL  24  -7.883  -1.572  -2.255
  476   HG23  VAL  24          HG23      VAL  24  -8.599  -0.693  -0.911
  477    H    ALA  25           H        ALA  25 -10.317  -4.237  -2.881
  478    HA   ALA  25           HA       ALA  25 -12.516  -4.153  -4.655
  479    HB1  ALA  25           HB1      ALA  25 -10.441  -5.406  -5.097
  480    HB2  ALA  25           HB2      ALA  25 -11.895  -6.384  -5.294
  481    HB3  ALA  25           HB3      ALA  25 -10.906  -6.560  -3.847
  482    H    ARG  26           H        ARG  26 -12.129  -5.429  -1.434
  483    HA   ARG  26           HA       ARG  26 -14.403  -7.112  -1.408
  484    HB2  ARG  26           HB3      ARG  26 -13.701  -5.612   1.070
  485    HB3  ARG  26           HB2      ARG  26 -14.144  -7.299   0.878
  486    HG2  ARG  26           HG3      ARG  26 -11.837  -7.517  -0.275
  487    HG3  ARG  26           HG2      ARG  26 -11.497  -5.977   0.534
  488    HD2  ARG  26           HD2      ARG  26 -10.745  -7.854   1.890
  489    HD3  ARG  26           HD1      ARG  26 -12.048  -6.974   2.686
  490    HE   ARG  26           HE       ARG  26 -13.224  -9.044   1.263
  491   HH11  ARG  26          HH11      ARG  26 -10.944  -8.703   3.888
  492   HH12  ARG  26          HH12      ARG  26 -11.425 -10.172   4.671
  493   HH21  ARG  26          HH21      ARG  26 -13.864 -10.989   2.288
  494   HH22  ARG  26          HH22      ARG  26 -13.071 -11.483   3.748
  495    H    LEU  27           H        LEU  27 -13.918  -3.753  -0.429
  496    HA   LEU  27           HA       LEU  27 -16.513  -3.368   0.560
  497    HB2  LEU  27           HB3      LEU  27 -14.352  -1.476  -0.283
  498    HB3  LEU  27           HB2      LEU  27 -15.931  -0.888   0.188
  499    HG   LEU  27           HG       LEU  27 -15.666  -1.975   2.389
  500   HD11  LEU  27          HD11      LEU  27 -12.880  -2.563   1.416
  501   HD12  LEU  27          HD12      LEU  27 -14.114  -3.738   1.874
  502   HD13  LEU  27          HD13      LEU  27 -13.413  -2.675   3.094
  503   HD21  LEU  27          HD21      LEU  27 -15.173   0.342   2.179
  504   HD22  LEU  27          HD22      LEU  27 -13.554  -0.012   1.570
  505   HD23  LEU  27          HD23      LEU  27 -13.973  -0.399   3.239
  506    H    LYS  28           H        LYS  28 -15.156  -2.544  -2.654
  507    HA   LYS  28           HA       LYS  28 -17.500  -1.216  -3.467
  508    HB2  LYS  28           HB3      LYS  28 -16.670  -1.589  -5.828
  509    HB3  LYS  28           HB2      LYS  28 -15.640  -0.675  -4.746
  510    HG2  LYS  28           HG3      LYS  28 -14.266  -2.705  -4.409
  511    HG3  LYS  28           HG2      LYS  28 -15.270  -3.535  -5.605
  512    HD2  LYS  28           HD3      LYS  28 -14.663  -1.884  -7.289
  513    HD3  LYS  28           HD2      LYS  28 -13.715  -0.993  -6.098
  514    HE2  LYS  28           HE3      LYS  28 -12.167  -2.823  -5.896
  515    HE3  LYS  28           HE2      LYS  28 -13.158  -3.830  -6.953
  516    HZ1  LYS  28           HZ1      LYS  28 -11.294  -2.908  -8.148
  517    HZ2  LYS  28           HZ2      LYS  28 -11.744  -1.335  -7.729
  518    HZ3  LYS  28           HZ3      LYS  28 -12.729  -2.253  -8.750
  519    H    LYS  29           H        LYS  29 -16.769  -4.630  -3.414
  520    HA   LYS  29           HA       LYS  29 -18.919  -5.427  -5.058
  521    HB2  LYS  29           HB3      LYS  29 -17.540  -6.843  -2.773
  522    HB3  LYS  29           HB2      LYS  29 -18.719  -7.598  -3.826
  523    HG2  LYS  29           HG3      LYS  29 -17.213  -7.126  -5.756
  524    HG3  LYS  29           HG2      LYS  29 -16.017  -6.532  -4.606
  525    HD2  LYS  29           HD3      LYS  29 -17.190  -9.298  -4.470
  526    HD3  LYS  29           HD2      LYS  29 -15.750  -8.922  -5.408
  527    HE2  LYS  29           HE3      LYS  29 -14.917  -9.717  -3.383
  528    HE3  LYS  29           HE2      LYS  29 -14.807  -7.966  -3.232
  529    HZ1  LYS  29           HZ1      LYS  29 -17.030  -9.598  -2.130
  530    HZ2  LYS  29           HZ2      LYS  29 -16.754  -7.953  -1.865
  531    HZ3  LYS  29           HZ3      LYS  29 -15.684  -9.098  -1.237
  532    H    LEU  30           H        LEU  30 -18.633  -4.621  -1.654
  533    HA   LEU  30           HA       LEU  30 -21.340  -5.244  -0.988
  534    HB2  LEU  30           HB3      LEU  30 -19.150  -3.707   0.337
  535    HB3  LEU  30           HB2      LEU  30 -20.787  -3.572   0.946
  536    HG   LEU  30           HG       LEU  30 -20.809  -6.059   1.251
  537   HD11  LEU  30          HD11      LEU  30 -19.053  -6.636  -0.340
  538   HD12  LEU  30          HD12      LEU  30 -18.686  -7.249   1.273
  539   HD13  LEU  30          HD13      LEU  30 -17.865  -5.810   0.668
  540   HD21  LEU  30          HD21      LEU  30 -19.416  -6.023   3.266
  541   HD22  LEU  30          HD22      LEU  30 -20.399  -4.567   3.116
  542   HD23  LEU  30          HD23      LEU  30 -18.681  -4.515   2.722
  543    H    VAL  31           H        VAL  31 -19.659  -2.390  -2.160
  544    HA   VAL  31           HA       VAL  31 -21.819  -0.578  -1.858
  545    HB   VAL  31           HB       VAL  31 -19.545  -0.442  -3.868
  546   HG11  VAL  31          HG11      VAL  31 -19.996   1.942  -3.942
  547   HG12  VAL  31          HG12      VAL  31 -21.319   1.754  -2.794
  548   HG13  VAL  31          HG13      VAL  31 -21.440   1.041  -4.405
  549   HG21  VAL  31          HG21      VAL  31 -18.448   1.014  -2.245
  550   HG22  VAL  31          HG22      VAL  31 -18.718  -0.598  -1.581
  551   HG23  VAL  31          HG23      VAL  31 -19.765   0.739  -1.105
  552    H    GLY  32           H        GLY  32 -21.030  -3.003  -4.223
  553    HA2  GLY  32           HA3      GLY  32 -23.258  -3.745  -5.269
  554    HA3  GLY  32           HA2      GLY  32 -23.262  -2.114  -5.922
  555    H    GLU  33           H        GLU  33 -20.583  -4.387  -5.543
  556    HA   GLU  33           HA       GLU  33 -19.067  -5.247  -6.983
  557    HB2  GLU  33           HB3      GLU  33 -21.425  -5.149  -8.860
  558    HB3  GLU  33           HB2      GLU  33 -19.893  -5.914  -9.259
  559    HG2  GLU  33           HG3      GLU  33 -20.171  -7.443  -7.366
  560    HG3  GLU  33           HG2      GLU  33 -21.721  -6.687  -6.996
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  25.711   6.507  -5.048
    2    H2   GLY   1           H2       GLY   1  26.555   6.815  -3.616
    3    H3   GLY   1           H3       GLY   1  24.974   7.376  -3.801
    4    HA2  GLY   1           HA2      GLY   1  25.804   4.536  -3.651
    5    HA3  GLY   1           HA3      GLY   1  25.012   5.446  -2.371
    6    H    SER   2           H        SER   2  23.666   3.326  -2.883
    7    HA   SER   2           HA       SER   2  21.557   4.115  -4.782
    8    HB2  SER   2           HB3      SER   2  22.308   1.327  -3.867
    9    HB3  SER   2           HB2      SER   2  21.023   1.726  -5.008
   10    HG   SER   2           HG       SER   2  22.537   1.537  -6.447
   11    H    MET   3           H        MET   3  22.107   4.524  -1.743
   12    HA   MET   3           HA       MET   3  20.050   3.084  -0.396
   13    HB2  MET   3           HB3      MET   3  22.055   3.967   0.756
   14    HB3  MET   3           HB2      MET   3  21.511   5.604   0.438
   15    HG2  MET   3           HG3      MET   3  19.799   3.697   1.978
   16    HG3  MET   3           HG2      MET   3  21.112   4.571   2.760
   17    HE1  MET   3           HE1      MET   3  17.833   6.418   3.942
   18    HE2  MET   3           HE2      MET   3  19.277   5.552   4.468
   19    HE3  MET   3           HE3      MET   3  18.002   4.698   3.599
   20    H    LYS   4           H        LYS   4  20.320   6.352  -1.730
   21    HA   LYS   4           HA       LYS   4  17.758   7.185  -0.807
   22    HB2  LYS   4           HB3      LYS   4  19.582   8.305  -2.931
   23    HB3  LYS   4           HB2      LYS   4  18.054   9.050  -2.486
   24    HG2  LYS   4           HG3      LYS   4  18.876   9.301  -0.180
   25    HG3  LYS   4           HG2      LYS   4  20.424   8.615  -0.678
   26    HD2  LYS   4           HD3      LYS   4  20.744  10.448  -2.252
   27    HD3  LYS   4           HD2      LYS   4  19.178  11.124  -1.798
   28    HE2  LYS   4           HE3      LYS   4  20.981  12.297  -0.664
   29    HE3  LYS   4           HE2      LYS   4  19.979  11.427   0.495
   30    HZ1  LYS   4           HZ1      LYS   4  21.633   9.688   0.588
   31    HZ2  LYS   4           HZ2      LYS   4  22.343  11.176   0.955
   32    HZ3  LYS   4           HZ3      LYS   4  22.583  10.481  -0.565
   33    H    GLN   5           H        GLN   5  18.933   5.645  -3.719
   34    HA   GLN   5           HA       GLN   5  16.624   5.935  -5.293
   35    HB2  GLN   5           HB3      GLN   5  18.829   3.887  -5.262
   36    HB3  GLN   5           HB2      GLN   5  17.490   3.781  -6.398
   37    HG2  GLN   5           HG3      GLN   5  18.059   5.914  -7.349
   38    HG3  GLN   5           HG2      GLN   5  19.315   6.157  -6.140
   39   HE21  GLN   5          HE21      GLN   5  21.259   5.090  -6.340
   40   HE22  GLN   5          HE22      GLN   5  21.715   4.237  -7.774
   41    H    LEU   6           H        LEU   6  17.559   3.439  -2.955
   42    HA   LEU   6           HA       LEU   6  15.145   1.948  -3.285
   43    HB2  LEU   6           HB3      LEU   6  17.426   1.883  -1.367
   44    HB3  LEU   6           HB2      LEU   6  15.935   1.092  -0.900
   45    HG   LEU   6           HG       LEU   6  17.465  -0.521  -1.856
   46   HD11  LEU   6          HD11      LEU   6  16.046  -1.478  -3.570
   47   HD12  LEU   6          HD12      LEU   6  15.213   0.061  -3.771
   48   HD13  LEU   6          HD13      LEU   6  15.069  -0.827  -2.254
   49   HD21  LEU   6          HD21      LEU   6  17.423   1.194  -4.334
   50   HD22  LEU   6          HD22      LEU   6  18.172  -0.396  -4.195
   51   HD23  LEU   6          HD23      LEU   6  18.795   0.957  -3.253
   52    H    GLU   7           H        GLU   7  16.208   4.530  -1.156
   53    HA   GLU   7           HA       GLU   7  14.079   4.453   0.666
   54    HB2  GLU   7           HB3      GLU   7  16.122   5.668   1.136
   55    HB3  GLU   7           HB2      GLU   7  15.857   6.720  -0.247
   56    HG2  GLU   7           HG3      GLU   7  15.283   7.926   1.709
   57    HG3  GLU   7           HG2      GLU   7  13.802   7.531   0.841
   58    H    ASP   8           H        ASP   8  14.537   6.198  -2.383
   59    HA   ASP   8           HA       ASP   8  12.043   7.562  -2.291
   60    HB2  ASP   8           HB3      ASP   8  14.054   7.022  -4.448
   61    HB3  ASP   8           HB2      ASP   8  12.481   7.693  -4.867
   62    H    LYS   9           H        LYS   9  12.989   4.377  -3.247
   63    HA   LYS   9           HA       LYS   9  10.648   3.887  -4.854
   64    HB2  LYS   9           HB3      LYS   9  12.859   2.769  -5.242
   65    HB3  LYS   9           HB2      LYS   9  12.613   1.876  -3.747
   66    HG2  LYS   9           HG3      LYS   9  10.579   0.882  -4.690
   67    HG3  LYS   9           HG2      LYS   9  10.864   1.755  -6.195
   68    HD2  LYS   9           HD3      LYS   9  12.748  -0.260  -4.971
   69    HD3  LYS   9           HD2      LYS   9  11.626  -0.592  -6.291
   70    HE2  LYS   9           HE3      LYS   9  12.758   1.134  -7.645
   71    HE3  LYS   9           HE2      LYS   9  13.910   1.379  -6.333
   72    HZ1  LYS   9           HZ1      LYS   9  13.512  -1.143  -7.848
   73    HZ2  LYS   9           HZ2      LYS   9  14.598  -0.932  -6.572
   74    HZ3  LYS   9           HZ3      LYS   9  14.816  -0.080  -8.014
   75    H    VAL  10           H        VAL  10  11.780   2.974  -1.608
   76    HA   VAL  10           HA       VAL  10   9.452   1.469  -0.980
   77    HB   VAL  10           HB       VAL  10  11.591   1.158   0.218
   78   HG11  VAL  10          HG11      VAL  10  10.968   3.807   1.510
   79   HG12  VAL  10          HG12      VAL  10  12.295   3.478   0.399
   80   HG13  VAL  10          HG13      VAL  10  12.261   2.705   1.982
   81   HG21  VAL  10          HG21      VAL  10   9.568   0.334   1.235
   82   HG22  VAL  10          HG22      VAL  10   9.250   1.912   1.957
   83   HG23  VAL  10          HG23      VAL  10  10.642   0.966   2.482
   84    H    GLU  11           H        GLU  11  10.361   4.854  -0.570
   85    HA   GLU  11           HA       GLU  11   8.053   5.612   0.908
   86    HB2  GLU  11           HB3      GLU  11  10.126   6.983   0.753
   87    HB3  GLU  11           HB2      GLU  11   9.755   7.307  -0.934
   88    HG2  GLU  11           HG3      GLU  11   7.715   8.455  -0.288
   89    HG3  GLU  11           HG2      GLU  11   8.037   8.094   1.408
   90    H    GLU  12           H        GLU  12   8.825   5.380  -2.512
   91    HA   GLU  12           HA       GLU  12   6.502   6.433  -3.616
   92    HB2  GLU  12           HB3      GLU  12   8.498   5.757  -4.905
   93    HB3  GLU  12           HB2      GLU  12   8.110   4.071  -4.607
   94    HG2  GLU  12           HG3      GLU  12   6.051   4.302  -5.871
   95    HG3  GLU  12           HG2      GLU  12   6.389   6.012  -6.132
   96    H    LEU  13           H        LEU  13   7.137   3.025  -2.673
   97    HA   LEU  13           HA       LEU  13   4.468   2.208  -3.110
   98    HB2  LEU  13           HB3      LEU  13   6.909   1.029  -2.091
   99    HB3  LEU  13           HB2      LEU  13   5.483   0.447  -1.245
  100    HG   LEU  13           HG       LEU  13   5.508   0.531  -4.228
  101   HD11  LEU  13          HD11      LEU  13   6.349  -1.782  -4.246
  102   HD12  LEU  13          HD12      LEU  13   6.645  -1.681  -2.510
  103   HD13  LEU  13          HD13      LEU  13   7.555  -0.658  -3.621
  104   HD21  LEU  13          HD21      LEU  13   3.404   0.093  -3.132
  105   HD22  LEU  13          HD22      LEU  13   4.135  -1.196  -2.176
  106   HD23  LEU  13          HD23      LEU  13   3.975  -1.376  -3.923
  107    H    LEU  14           H        LEU  14   6.101   3.435  -0.213
  108    HA   LEU  14           HA       LEU  14   4.017   3.142   1.599
  109    HB2  LEU  14           HB3      LEU  14   6.206   3.951   2.255
  110    HB3  LEU  14           HB2      LEU  14   6.033   5.378   1.268
  111    HG   LEU  14           HG       LEU  14   5.808   5.646   3.781
  112   HD11  LEU  14          HD11      LEU  14   3.577   6.665   2.042
  113   HD12  LEU  14          HD12      LEU  14   5.172   7.395   2.228
  114   HD13  LEU  14          HD13      LEU  14   4.063   7.335   3.600
  115   HD21  LEU  14          HD21      LEU  14   4.382   3.702   4.186
  116   HD22  LEU  14          HD22      LEU  14   3.091   4.462   3.255
  117   HD23  LEU  14          HD23      LEU  14   3.636   5.192   4.763
  118    H    SER  15           H        SER  15   4.584   5.613  -0.852
  119    HA   SER  15           HA       SER  15   2.278   7.136  -0.401
  120    HB2  SER  15           HB3      SER  15   4.218   7.870  -1.774
  121    HB3  SER  15           HB2      SER  15   3.741   6.717  -3.017
  122    HG   SER  15           HG       SER  15   2.548   9.126  -2.251
  123    H    LYS  16           H        LYS  16   2.854   4.375  -2.655
  124    HA   LYS  16           HA       LYS  16   0.251   4.385  -3.720
  125    HB2  LYS  16           HB3      LYS  16   2.176   2.085  -3.395
  126    HB3  LYS  16           HB2      LYS  16   0.674   1.990  -4.306
  127    HG2  LYS  16           HG3      LYS  16   1.717   4.128  -5.492
  128    HG3  LYS  16           HG2      LYS  16   3.214   3.361  -4.965
  129    HD2  LYS  16           HD3      LYS  16   1.054   2.046  -6.606
  130    HD3  LYS  16           HD2      LYS  16   2.569   2.685  -7.238
  131    HE2  LYS  16           HE3      LYS  16   3.805   1.091  -5.837
  132    HE3  LYS  16           HE2      LYS  16   2.275   0.441  -5.248
  133    HZ1  LYS  16           HZ1      LYS  16   3.193   0.411  -8.073
  134    HZ2  LYS  16           HZ2      LYS  16   1.724  -0.205  -7.512
  135    HZ3  LYS  16           HZ3      LYS  16   3.177  -0.913  -7.025
  136    H    ASN  17           H        ASN  17   1.551   2.560  -0.951
  137    HA   ASN  17           HA       ASN  17  -0.747   1.237  -0.147
  138    HB2  ASN  17           HB3      ASN  17   1.429   0.867   0.900
  139    HB3  ASN  17           HB2      ASN  17   1.422   2.502   1.549
  140   HD21  ASN  17          HD21      ASN  17   1.555   1.915   3.667
  141   HD22  ASN  17          HD22      ASN  17   0.287   1.096   4.509
  142    H    TYR  18           H        TYR  18   0.344   4.503   0.671
  143    HA   TYR  18           HA       TYR  18  -1.786   5.240   2.328
  144    HB2  TYR  18           HB3      TYR  18   0.293   6.514   2.217
  145    HB3  TYR  18           HB2      TYR  18  -0.036   6.949   0.546
  146    HD1  TYR  18           HD1      TYR  18  -1.617   7.215   3.920
  147    HD2  TYR  18           HD2      TYR  18  -0.958   9.021   0.128
  148    HE1  TYR  18           HE1      TYR  18  -2.764   9.244   4.696
  149    HE2  TYR  18           HE2      TYR  18  -2.104  11.058   0.893
  150    HH   TYR  18           HH       TYR  18  -2.862  11.611   4.182
  151    H    HIS  19           H        HIS  19  -1.371   5.491  -1.174
  152    HA   HIS  19           HA       HIS  19  -3.713   6.933  -1.745
  153    HB2  HIS  19           HB3      HIS  19  -2.262   4.879  -3.430
  154    HB3  HIS  19           HB2      HIS  19  -3.548   5.919  -4.026
  155    HD1  HIS  19           HD1      HIS  19  -0.664   5.939  -5.196
  156    HD2  HIS  19           HD2      HIS  19  -2.097   8.591  -2.334
  157    HE1  HIS  19           HE1      HIS  19   0.791   7.981  -5.378
  158    HE2  HIS  19           HE2      HIS  19  -0.031   9.533  -3.574
  159    H    LEU  20           H        LEU  20  -3.121   3.432  -1.667
  160    HA   LEU  20           HA       LEU  20  -5.793   2.711  -2.249
  161    HB2  LEU  20           HB3      LEU  20  -3.411   1.266  -1.182
  162    HB3  LEU  20           HB2      LEU  20  -4.982   0.504  -1.059
  163    HG   LEU  20           HG       LEU  20  -3.724  -0.245  -3.042
  164   HD11  LEU  20          HD11      LEU  20  -6.140  -0.323  -3.096
  165   HD12  LEU  20          HD12      LEU  20  -5.510   0.097  -4.688
  166   HD13  LEU  20          HD13      LEU  20  -6.206   1.347  -3.659
  167   HD21  LEU  20          HD21      LEU  20  -3.434   1.283  -4.935
  168   HD22  LEU  20          HD22      LEU  20  -2.483   1.779  -3.536
  169   HD23  LEU  20          HD23      LEU  20  -3.981   2.622  -3.929
  170    H    GLU  21           H        GLU  21  -4.076   3.338   0.767
  171    HA   GLU  21           HA       GLU  21  -6.073   2.483   2.546
  172    HB2  GLU  21           HB3      GLU  21  -4.008   4.668   2.766
  173    HB3  GLU  21           HB2      GLU  21  -5.109   4.285   4.082
  174    HG2  GLU  21           HG3      GLU  21  -4.239   2.034   4.199
  175    HG3  GLU  21           HG2      GLU  21  -3.192   2.339   2.816
  176    H    ASN  22           H        ASN  22  -5.658   5.538   0.829
  177    HA   ASN  22           HA       ASN  22  -7.855   6.892   1.977
  178    HB2  ASN  22           HB3      ASN  22  -6.552   7.230  -0.733
  179    HB3  ASN  22           HB2      ASN  22  -7.752   8.330  -0.067
  180   HD21  ASN  22          HD21      ASN  22  -5.015   8.840  -0.856
  181   HD22  ASN  22          HD22      ASN  22  -4.217   9.462   0.544
  182    H    GLU  23           H        GLU  23  -7.583   4.527  -0.554
  183    HA   GLU  23           HA       GLU  23 -10.194   5.025  -1.650
  184    HB2  GLU  23           HB3      GLU  23  -8.442   2.592  -2.060
  185    HB3  GLU  23           HB2      GLU  23  -9.797   3.121  -3.079
  186    HG2  GLU  23           HG3      GLU  23  -7.123   4.466  -2.738
  187    HG3  GLU  23           HG2      GLU  23  -7.745   3.658  -4.175
  188    H    VAL  24           H        VAL  24  -8.727   2.628   0.513
  189    HA   VAL  24           HA       VAL  24 -11.022   1.046   0.845
  190    HB   VAL  24           HB       VAL  24  -8.791   1.511   2.846
  191   HG11  VAL  24          HG11      VAL  24 -10.827   0.563   3.871
  192   HG12  VAL  24          HG12      VAL  24  -9.486  -0.580   3.868
  193   HG13  VAL  24          HG13      VAL  24 -10.791  -0.750   2.693
  194   HG21  VAL  24          HG21      VAL  24  -7.941   0.650   0.758
  195   HG22  VAL  24          HG22      VAL  24  -9.171  -0.614   0.747
  196   HG23  VAL  24          HG23      VAL  24  -7.912  -0.620   1.981
  197    H    ALA  25           H        ALA  25  -9.894   3.941   2.486
  198    HA   ALA  25           HA       ALA  25 -11.865   3.954   4.523
  199    HB1  ALA  25           HB1      ALA  25  -9.750   5.201   4.675
  200    HB2  ALA  25           HB2      ALA  25 -11.154   6.228   4.955
  201    HB3  ALA  25           HB3      ALA  25 -10.315   6.286   3.406
  202    H    ARG  26           H        ARG  26 -11.836   5.084   1.219
  203    HA   ARG  26           HA       ARG  26 -14.087   6.819   1.493
  204    HB2  ARG  26           HB3      ARG  26 -13.819   7.314  -0.738
  205    HB3  ARG  26           HB2      ARG  26 -12.213   6.733  -0.345
  206    HG2  ARG  26           HG3      ARG  26 -12.718   4.569  -1.322
  207    HG3  ARG  26           HG2      ARG  26 -14.364   5.104  -1.673
  208    HD2  ARG  26           HD2      ARG  26 -11.824   6.275  -2.802
  209    HD3  ARG  26           HD1      ARG  26 -12.952   5.223  -3.654
  210    HE   ARG  26           HE       ARG  26 -14.026   7.714  -2.597
  211   HH11  ARG  26          HH11      ARG  26 -12.832   5.932  -5.364
  212   HH12  ARG  26          HH12      ARG  26 -13.501   7.042  -6.519
  213   HH21  ARG  26          HH21      ARG  26 -14.902   9.169  -4.114
  214   HH22  ARG  26          HH22      ARG  26 -14.669   8.883  -5.813
  215    H    LEU  27           H        LEU  27 -13.606   3.534   0.357
  216    HA   LEU  27           HA       LEU  27 -16.339   3.113  -0.350
  217    HB2  LEU  27           HB3      LEU  27 -14.118   1.144   0.138
  218    HB3  LEU  27           HB2      LEU  27 -15.687   0.756  -0.532
  219    HG   LEU  27           HG       LEU  27 -13.985   2.796  -1.866
  220   HD11  LEU  27          HD11      LEU  27 -12.956   1.083  -3.204
  221   HD12  LEU  27          HD12      LEU  27 -13.817  -0.166  -2.304
  222   HD13  LEU  27          HD13      LEU  27 -12.594   0.818  -1.497
  223   HD21  LEU  27          HD21      LEU  27 -15.193   1.910  -3.848
  224   HD22  LEU  27          HD22      LEU  27 -16.254   2.613  -2.630
  225   HD23  LEU  27          HD23      LEU  27 -16.106   0.860  -2.761
  226    H    LYS  28           H        LYS  28 -14.397   2.294   2.489
  227    HA   LYS  28           HA       LYS  28 -16.106   0.623   3.817
  228    HB2  LYS  28           HB3      LYS  28 -13.816   1.337   4.553
  229    HB3  LYS  28           HB2      LYS  28 -14.539   2.818   5.165
  230    HG2  LYS  28           HG3      LYS  28 -14.198   1.188   6.940
  231    HG3  LYS  28           HG2      LYS  28 -15.913   1.531   6.705
  232    HD2  LYS  28           HD3      LYS  28 -16.170  -0.526   5.430
  233    HD3  LYS  28           HD2      LYS  28 -14.443  -0.853   5.579
  234    HE2  LYS  28           HE3      LYS  28 -16.379  -0.649   7.881
  235    HE3  LYS  28           HE2      LYS  28 -15.811  -2.156   7.167
  236    HZ1  LYS  28           HZ1      LYS  28 -14.552  -1.638   9.134
  237    HZ2  LYS  28           HZ2      LYS  28 -14.138  -0.117   8.527
  238    HZ3  LYS  28           HZ3      LYS  28 -13.542  -1.511   7.781
  239    H    LYS  29           H        LYS  29 -16.262   4.183   3.787
  240    HA   LYS  29           HA       LYS  29 -18.550   4.198   5.509
  241    HB2  LYS  29           HB3      LYS  29 -18.624   6.616   4.986
  242    HB3  LYS  29           HB2      LYS  29 -17.084   6.081   5.627
  243    HG2  LYS  29           HG3      LYS  29 -16.145   6.090   3.376
  244    HG3  LYS  29           HG2      LYS  29 -17.703   6.611   2.730
  245    HD2  LYS  29           HD3      LYS  29 -17.573   8.671   3.997
  246    HD3  LYS  29           HD2      LYS  29 -16.067   8.144   4.749
  247    HE2  LYS  29           HE3      LYS  29 -14.984   8.125   2.562
  248    HE3  LYS  29           HE2      LYS  29 -16.491   8.637   1.805
  249    HZ1  LYS  29           HZ1      LYS  29 -16.389  10.689   3.050
  250    HZ2  LYS  29           HZ2      LYS  29 -14.966  10.484   2.158
  251    HZ3  LYS  29           HZ3      LYS  29 -14.966  10.191   3.822
  252    H    LEU  30           H        LEU  30 -18.007   4.167   2.053
  253    HA   LEU  30           HA       LEU  30 -20.625   4.934   1.277
  254    HB2  LEU  30           HB3      LEU  30 -18.556   3.265  -0.147
  255    HB3  LEU  30           HB2      LEU  30 -20.066   3.777  -0.876
  256    HG   LEU  30           HG       LEU  30 -17.868   5.610   0.092
  257   HD11  LEU  30          HD11      LEU  30 -17.561   6.104  -2.284
  258   HD12  LEU  30          HD12      LEU  30 -18.766   4.882  -2.692
  259   HD13  LEU  30          HD13      LEU  30 -17.252   4.406  -1.925
  260   HD21  LEU  30          HD21      LEU  30 -20.042   6.644   0.362
  261   HD22  LEU  30          HD22      LEU  30 -20.480   6.210  -1.289
  262   HD23  LEU  30          HD23      LEU  30 -19.192   7.376  -0.997
  263    H    VAL  31           H        VAL  31 -19.185   1.878   2.218
  264    HA   VAL  31           HA       VAL  31 -21.544   0.339   1.604
  265    HB   VAL  31           HB       VAL  31 -19.253  -0.425   3.437
  266   HG11  VAL  31          HG11      VAL  31 -21.240  -2.141   1.950
  267   HG12  VAL  31          HG12      VAL  31 -21.258  -1.812   3.683
  268   HG13  VAL  31          HG13      VAL  31 -19.924  -2.718   2.971
  269   HG21  VAL  31          HG21      VAL  31 -18.296  -1.585   1.502
  270   HG22  VAL  31          HG22      VAL  31 -18.391   0.156   1.237
  271   HG23  VAL  31          HG23      VAL  31 -19.566  -0.918   0.478
  272    H    GLY  32           H        GLY  32 -20.385   2.270   4.200
  273    HA2  GLY  32           HA3      GLY  32 -22.123   1.209   6.223
  274    HA3  GLY  32           HA2      GLY  32 -21.197   2.700   6.316
  275    H    GLU  33           H        GLU  33 -22.078   4.270   4.391
  276    HA   GLU  33           HA       GLU  33 -24.952   4.192   4.191
  277    HB2  GLU  33           HB3      GLU  33 -25.333   6.423   5.157
  278    HB3  GLU  33           HB2      GLU  33 -24.769   5.274   6.353
  279    HG2  GLU  33           HG3      GLU  33 -22.912   7.203   5.000
  280    HG3  GLU  33           HG2      GLU  33 -23.837   7.639   6.432
  281    H1   GLY   1           H1       GLY   1  25.731  -6.710   4.346
  282    H2   GLY   1           H2       GLY   1  26.562  -7.033   2.912
  283    H3   GLY   1           H3       GLY   1  24.976  -7.587   3.114
  284    HA2  GLY   1           HA2      GLY   1  25.819  -4.750   2.940
  285    HA3  GLY   1           HA3      GLY   1  25.015  -5.661   1.670
  286    H    SER   2           H        SER   2  23.687  -3.526   2.187
  287    HA   SER   2           HA       SER   2  21.580  -4.309   4.092
  288    HB2  SER   2           HB3      SER   2  22.339  -1.527   3.174
  289    HB3  SER   2           HB2      SER   2  21.053  -1.919   4.315
  290    HG   SER   2           HG       SER   2  22.584  -1.712   5.744
  291    H    MET   3           H        MET   3  22.117  -4.721   1.052
  292    HA   MET   3           HA       MET   3  20.055  -3.287  -0.290
  293    HB2  MET   3           HB3      MET   3  22.055  -4.177  -1.445
  294    HB3  MET   3           HB2      MET   3  21.504  -5.811  -1.124
  295    HG2  MET   3           HG3      MET   3  19.792  -3.902  -2.660
  296    HG3  MET   3           HG2      MET   3  21.101  -4.780  -3.447
  297    HE1  MET   3           HE1      MET   3  17.815  -6.626  -4.603
  298    HE2  MET   3           HE2      MET   3  19.258  -5.768  -5.142
  299    HE3  MET   3           HE3      MET   3  17.992  -4.906  -4.268
  300    H    LYS   4           H        LYS   4  20.319  -6.552   1.057
  301    HA   LYS   4           HA       LYS   4  17.751  -7.380   0.143
  302    HB2  LYS   4           HB3      LYS   4  19.582  -8.499   2.262
  303    HB3  LYS   4           HB2      LYS   4  18.050  -9.241   1.824
  304    HG2  LYS   4           HG3      LYS   4  18.862  -9.498  -0.483
  305    HG3  LYS   4           HG2      LYS   4  20.414  -8.817   0.007
  306    HD2  LYS   4           HD3      LYS   4  20.732 -10.647   1.585
  307    HD3  LYS   4           HD2      LYS   4  19.164 -11.319   1.137
  308    HE2  LYS   4           HE3      LYS   4  20.955 -12.503   0.004
  309    HE3  LYS   4           HE2      LYS   4  19.954 -11.632  -1.155
  310    HZ1  LYS   4           HZ1      LYS   4  21.620  -9.905  -1.263
  311    HZ2  LYS   4           HZ2      LYS   4  22.318 -11.397  -1.627
  312    HZ3  LYS   4           HZ3      LYS   4  22.572 -10.698  -0.112
  313    H    GLN   5           H        GLN   5  18.942  -5.826   3.038
  314    HA   GLN   5           HA       GLN   5  16.643  -6.115   4.631
  315    HB2  GLN   5           HB3      GLN   5  18.853  -4.075   4.586
  316    HB3  GLN   5           HB2      GLN   5  17.519  -3.961   5.726
  317    HG2  GLN   5           HG3      GLN   5  18.088  -6.094   6.681
  318    HG3  GLN   5           HG2      GLN   5  19.337  -6.345   5.464
  319   HE21  GLN   5          HE21      GLN   5  21.288  -5.288   5.656
  320   HE22  GLN   5          HE22      GLN   5  21.752  -4.429   7.086
  321    H    LEU   6           H        LEU   6  17.575  -3.623   2.286
  322    HA   LEU   6           HA       LEU   6  15.164  -2.127   2.619
  323    HB2  LEU   6           HB3      LEU   6  17.437  -2.077   0.693
  324    HB3  LEU   6           HB2      LEU   6  15.947  -1.281   0.228
  325    HG   LEU   6           HG       LEU   6  17.485   0.330   1.173
  326   HD11  LEU   6          HD11      LEU   6  16.076   1.296   2.890
  327   HD12  LEU   6          HD12      LEU   6  15.240  -0.241   3.100
  328   HD13  LEU   6          HD13      LEU   6  15.091   0.642   1.582
  329   HD21  LEU   6          HD21      LEU   6  17.452  -1.380   3.656
  330   HD22  LEU   6          HD22      LEU   6  18.203   0.209   3.510
  331   HD23  LEU   6          HD23      LEU   6  18.819  -1.149   2.567
  332    H    GLU   7           H        GLU   7  16.213  -4.716   0.491
  333    HA   GLU   7           HA       GLU   7  14.078  -4.642  -1.322
  334    HB2  GLU   7           HB3      GLU   7  16.116  -5.860  -1.799
  335    HB3  GLU   7           HB2      GLU   7  15.852  -6.910  -0.414
  336    HG2  GLU   7           HG3      GLU   7  15.266  -8.118  -2.361
  337    HG3  GLU   7           HG2      GLU   7  13.789  -7.710  -1.496
  338    H    ASP   8           H        ASP   8  14.546  -6.376   1.733
  339    HA   ASP   8           HA       ASP   8  12.049  -7.738   1.654
  340    HB2  ASP   8           HB3      ASP   8  14.071  -7.198   3.800
  341    HB3  ASP   8           HB2      ASP   8  12.500  -7.863   4.227
  342    H    LYS   9           H        LYS   9  13.002  -4.553   2.599
  343    HA   LYS   9           HA       LYS   9  10.670  -4.050   4.212
  344    HB2  LYS   9           HB3      LYS   9  12.887  -2.937   4.581
  345    HB3  LYS   9           HB2      LYS   9  12.632  -2.045   3.088
  346    HG2  LYS   9           HG3      LYS   9  10.607  -1.046   4.044
  347    HG3  LYS   9           HG2      LYS   9  10.899  -1.919   5.547
  348    HD2  LYS   9           HD3      LYS   9  12.783   0.090   4.313
  349    HD3  LYS   9           HD2      LYS   9  11.670   0.425   5.640
  350    HE2  LYS   9           HE3      LYS   9  12.803  -1.306   6.986
  351    HE3  LYS   9           HE2      LYS   9  13.945  -1.557   5.667
  352    HZ1  LYS   9           HZ1      LYS   9  13.571   0.969   7.178
  353    HZ2  LYS   9           HZ2      LYS   9  14.654   0.744   5.902
  354    HZ3  LYS   9           HZ3      LYS   9  14.864  -0.105   7.348
  355    H    VAL  10           H        VAL  10  11.788  -3.150   0.960
  356    HA   VAL  10           HA       VAL  10   9.459  -1.641   0.332
  357    HB   VAL  10           HB       VAL  10  11.597  -1.338  -0.872
  358   HG11  VAL  10          HG11      VAL  10  10.965  -3.991  -2.154
  359   HG12  VAL  10          HG12      VAL  10  12.297  -3.659  -1.049
  360   HG13  VAL  10          HG13      VAL  10  12.257  -2.892  -2.635
  361   HG21  VAL  10          HG21      VAL  10   9.571  -0.513  -1.883
  362   HG22  VAL  10          HG22      VAL  10   9.249  -2.091  -2.601
  363   HG23  VAL  10          HG23      VAL  10  10.640  -1.149  -3.134
  364    H    GLU  11           H        GLU  11  10.363  -5.030  -0.066
  365    HA   GLU  11           HA       GLU  11   8.048  -5.786  -1.534
  366    HB2  GLU  11           HB3      GLU  11  10.115  -7.163  -1.384
  367    HB3  GLU  11           HB2      GLU  11   9.750  -7.483   0.305
  368    HG2  GLU  11           HG3      GLU  11   7.702  -8.623  -0.334
  369    HG3  GLU  11           HG2      GLU  11   8.020  -8.268  -2.031
  370    H    GLU  12           H        GLU  12   8.833  -5.552   1.884
  371    HA   GLU  12           HA       GLU  12   6.512  -6.593   3.000
  372    HB2  GLU  12           HB3      GLU  12   8.515  -5.923   4.277
  373    HB3  GLU  12           HB2      GLU  12   8.131  -4.235   3.975
  374    HG2  GLU  12           HG3      GLU  12   6.077  -4.454   5.243
  375    HG3  GLU  12           HG2      GLU  12   6.412  -6.165   5.510
  376    H    LEU  13           H        LEU  13   7.151  -3.189   2.048
  377    HA   LEU  13           HA       LEU  13   4.484  -2.363   2.489
  378    HB2  LEU  13           HB3      LEU  13   6.924  -1.191   1.458
  379    HB3  LEU  13           HB2      LEU  13   5.495  -0.608   0.619
  380    HG   LEU  13           HG       LEU  13   5.535  -0.684   3.602
  381   HD11  LEU  13          HD11      LEU  13   6.384   1.629   3.604
  382   HD12  LEU  13          HD12      LEU  13   6.671   1.517   1.867
  383   HD13  LEU  13          HD13      LEU  13   7.583   0.497   2.980
  384   HD21  LEU  13          HD21      LEU  13   3.429  -0.244   2.511
  385   HD22  LEU  13          HD22      LEU  13   4.158   1.041   1.549
  386   HD23  LEU  13          HD23      LEU  13   4.005   1.226   3.297
  387    H    LEU  14           H        LEU  14   6.107  -3.604  -0.408
  388    HA   LEU  14           HA       LEU  14   4.015  -3.306  -2.210
  389    HB2  LEU  14           HB3      LEU  14   6.197  -4.124  -2.876
  390    HB3  LEU  14           HB2      LEU  14   6.022  -5.549  -1.886
  391    HG   LEU  14           HG       LEU  14   5.786  -5.818  -4.397
  392   HD11  LEU  14          HD11      LEU  14   3.563  -6.828  -2.644
  393   HD12  LEU  14          HD12      LEU  14   5.155  -7.560  -2.838
  394   HD13  LEU  14          HD13      LEU  14   4.039  -7.501  -4.202
  395   HD21  LEU  14          HD21      LEU  14   4.362  -3.874  -4.797
  396   HD22  LEU  14          HD22      LEU  14   3.073  -4.629  -3.861
  397   HD23  LEU  14          HD23      LEU  14   3.613  -5.363  -5.371
  398    H    SER  15           H        SER  15   4.582  -5.773   0.242
  399    HA   SER  15           HA       SER  15   2.271  -7.293  -0.193
  400    HB2  SER  15           HB3      SER  15   4.220  -8.022   1.169
  401    HB3  SER  15           HB2      SER  15   3.750  -6.868   2.413
  402    HG   SER  15           HG       SER  15   2.538  -9.269   1.642
  403    H    LYS  16           H        LYS  16   2.868  -4.523   2.044
  404    HA   LYS  16           HA       LYS  16   0.269  -4.525   3.123
  405    HB2  LYS  16           HB3      LYS  16   2.204  -2.234   2.788
  406    HB3  LYS  16           HB2      LYS  16   0.703  -2.129   3.701
  407    HG2  LYS  16           HG3      LYS  16   1.739  -4.268   4.888
  408    HG3  LYS  16           HG2      LYS  16   3.238  -3.507   4.357
  409    HD2  LYS  16           HD3      LYS  16   1.088  -2.184   6.008
  410    HD3  LYS  16           HD2      LYS  16   2.606  -2.824   6.631
  411    HE2  LYS  16           HE3      LYS  16   3.837  -1.235   5.225
  412    HE3  LYS  16           HE2      LYS  16   2.308  -0.586   4.633
  413    HZ1  LYS  16           HZ1      LYS  16   3.232  -0.546   7.454
  414    HZ2  LYS  16           HZ2      LYS  16   1.761   0.072   6.895
  415    HZ3  LYS  16           HZ3      LYS  16   3.216   0.775   6.398
  416    H    ASN  17           H        ASN  17   1.562  -2.711   0.343
  417    HA   ASN  17           HA       ASN  17  -0.738  -1.384  -0.452
  418    HB2  ASN  17           HB3      ASN  17   1.433  -1.022  -1.513
  419    HB3  ASN  17           HB2      ASN  17   1.418  -2.657  -2.159
  420   HD21  ASN  17          HD21      ASN  17   1.542  -2.086  -4.272
  421   HD22  ASN  17          HD22      ASN  17   0.275  -1.273  -5.119
  422    H    TYR  18           H        TYR  18   0.338  -4.654  -1.266
  423    HA   TYR  18           HA       TYR  18  -1.800  -5.391  -2.913
  424    HB2  TYR  18           HB3      TYR  18   0.277  -6.667  -2.809
  425    HB3  TYR  18           HB2      TYR  18  -0.045  -7.097  -1.133
  426    HD1  TYR  18           HD1      TYR  18  -1.643  -7.370  -4.502
  427    HD2  TYR  18           HD2      TYR  18  -0.965  -9.165  -0.707
  428    HE1  TYR  18           HE1      TYR  18  -2.802  -9.400  -5.263
  429    HE2  TYR  18           HE2      TYR  18  -2.121 -11.200  -1.457
  430    HH   TYR  18           HH       TYR  18  -2.915 -11.761  -4.737
  431    H    HIS  19           H        HIS  19  -1.370  -5.638   0.591
  432    HA   HIS  19           HA       HIS  19  -3.715  -7.072   1.177
  433    HB2  HIS  19           HB3      HIS  19  -2.253  -5.015   2.848
  434    HB3  HIS  19           HB2      HIS  19  -3.541  -6.050   3.452
  435    HD1  HIS  19           HD1      HIS  19  -0.650  -6.072   4.606
  436    HD2  HIS  19           HD2      HIS  19  -2.105  -8.729   1.761
  437    HE1  HIS  19           HE1      HIS  19   0.799  -8.118   4.785
  438    HE2  HIS  19           HE2      HIS  19  -0.004  -9.646   2.956
  439    H    LEU  20           H        LEU  20  -3.113  -3.573   1.078
  440    HA   LEU  20           HA       LEU  20  -5.778  -2.843   1.679
  441    HB2  LEU  20           HB3      LEU  20  -3.395  -1.405   0.602
  442    HB3  LEU  20           HB2      LEU  20  -4.964  -0.640   0.479
  443    HG   LEU  20           HG       LEU  20  -3.705   0.115   2.454
  444   HD11  LEU  20          HD11      LEU  20  -6.118   0.195   2.522
  445   HD12  LEU  20          HD12      LEU  20  -5.484  -0.231   4.112
  446   HD13  LEU  20          HD13      LEU  20  -6.183  -1.476   3.080
  447   HD21  LEU  20          HD21      LEU  20  -3.399  -1.396   4.354
  448   HD22  LEU  20          HD22      LEU  20  -2.461  -1.907   2.951
  449   HD23  LEU  20          HD23      LEU  20  -3.957  -2.744   3.364
  450    H    GLU  21           H        GLU  21  -4.079  -3.477  -1.346
  451    HA   GLU  21           HA       GLU  21  -6.082  -2.622  -3.120
  452    HB2  GLU  21           HB3      GLU  21  -4.028  -4.818  -3.337
  453    HB3  GLU  21           HB2      GLU  21  -5.133  -4.438  -4.649
  454    HG2  GLU  21           HG3      GLU  21  -4.254  -2.190  -4.780
  455    HG3  GLU  21           HG2      GLU  21  -3.195  -2.500  -3.406
  456    H    ASN  22           H        ASN  22  -5.662  -5.675  -1.401
  457    HA   ASN  22           HA       ASN  22  -7.870  -7.026  -2.526
  458    HB2  ASN  22           HB3      ASN  22  -6.555  -7.360   0.179
  459    HB3  ASN  22           HB2      ASN  22  -7.757  -8.461  -0.483
  460   HD21  ASN  22          HD21      ASN  22  -5.023  -8.978   0.300
  461   HD22  ASN  22          HD22      ASN  22  -4.227  -9.597  -1.104
  462    H    GLU  23           H        GLU  23  -7.581  -4.652  -0.011
  463    HA   GLU  23           HA       GLU  23 -10.189  -5.144   1.102
  464    HB2  GLU  23           HB3      GLU  23  -8.425  -2.716   1.501
  465    HB3  GLU  23           HB2      GLU  23  -9.778  -3.238   2.525
  466    HG2  GLU  23           HG3      GLU  23  -7.109  -4.590   2.179
  467    HG3  GLU  23           HG2      GLU  23  -7.725  -3.780   3.616
  468    H    VAL  24           H        VAL  24  -8.723  -2.752  -1.075
  469    HA   VAL  24           HA       VAL  24 -11.018  -1.167  -1.400
  470    HB   VAL  24           HB       VAL  24  -8.797  -1.645  -3.409
  471   HG11  VAL  24          HG11      VAL  24 -10.835  -0.695  -4.427
  472   HG12  VAL  24          HG12      VAL  24  -9.490   0.445  -4.431
  473   HG13  VAL  24          HG13      VAL  24 -10.791   0.621  -3.252
  474   HG21  VAL  24          HG21      VAL  24  -7.937  -0.783  -1.326
  475   HG22  VAL  24          HG22      VAL  24  -9.164   0.485  -1.310
  476   HG23  VAL  24          HG23      VAL  24  -7.912   0.487  -2.550
  477    H    ALA  25           H        ALA  25  -9.901  -4.064  -3.044
  478    HA   ALA  25           HA       ALA  25 -11.884  -4.081  -5.067
  479    HB1  ALA  25           HB1      ALA  25  -9.772  -5.333  -5.225
  480    HB2  ALA  25           HB2      ALA  25 -11.182  -6.356  -5.495
  481    HB3  ALA  25           HB3      ALA  25 -10.337  -6.412  -3.950
  482    H    ARG  26           H        ARG  26 -11.844  -5.205  -1.757
  483    HA   ARG  26           HA       ARG  26 -14.101  -6.934  -2.021
  484    HB2  ARG  26           HB3      ARG  26 -13.824  -7.429   0.209
  485    HB3  ARG  26           HB2      ARG  26 -12.218  -6.852  -0.191
  486    HG2  ARG  26           HG3      ARG  26 -12.712  -4.688   0.782
  487    HG3  ARG  26           HG2      ARG  26 -14.359  -5.214   1.143
  488    HD2  ARG  26           HD2      ARG  26 -11.818  -6.389   2.264
  489    HD3  ARG  26           HD1      ARG  26 -12.939  -5.331   3.116
  490    HE   ARG  26           HE       ARG  26 -14.027  -7.820   2.074
  491   HH11  ARG  26          HH11      ARG  26 -12.814  -6.036   4.829
  492   HH12  ARG  26          HH12      ARG  26 -13.469  -7.141   5.993
  493   HH21  ARG  26          HH21      ARG  26 -14.896  -9.268   3.594
  494   HH22  ARG  26          HH22      ARG  26 -14.657  -8.989   5.290
  495    H    LEU  27           H        LEU  27 -13.604  -3.648  -0.893
  496    HA   LEU  27           HA       LEU  27 -16.333  -3.222  -0.179
  497    HB2  LEU  27           HB3      LEU  27 -14.112  -1.256  -0.678
  498    HB3  LEU  27           HB2      LEU  27 -15.677  -0.866  -0.001
  499    HG   LEU  27           HG       LEU  27 -13.974  -2.905   1.331
  500   HD11  LEU  27          HD11      LEU  27 -12.934  -1.194   2.659
  501   HD12  LEU  27          HD12      LEU  27 -13.794   0.057   1.759
  502   HD13  LEU  27          HD13      LEU  27 -12.579  -0.936   0.951
  503   HD21  LEU  27          HD21      LEU  27 -15.169  -2.011   3.315
  504   HD22  LEU  27          HD22      LEU  27 -16.237  -2.719   2.103
  505   HD23  LEU  27          HD23      LEU  27 -16.087  -0.965   2.228
  506    H    LYS  28           H        LYS  28 -14.403  -2.416  -3.027
  507    HA   LYS  28           HA       LYS  28 -16.111  -0.740  -4.355
  508    HB2  LYS  28           HB3      LYS  28 -13.822  -1.463  -5.096
  509    HB3  LYS  28           HB2      LYS  28 -14.553  -2.943  -5.704
  510    HG2  LYS  28           HG3      LYS  28 -14.215  -1.315  -7.485
  511    HG3  LYS  28           HG2      LYS  28 -15.930  -1.654  -7.240
  512    HD2  LYS  28           HD3      LYS  28 -16.180   0.402  -5.965
  513    HD3  LYS  28           HD2      LYS  28 -14.452   0.730  -6.121
  514    HE2  LYS  28           HE3      LYS  28 -16.400   0.525  -8.414
  515    HE3  LYS  28           HE2      LYS  28 -15.828   2.032  -7.703
  516    HZ1  LYS  28           HZ1      LYS  28 -14.577   1.520  -9.671
  517    HZ2  LYS  28           HZ2      LYS  28 -14.164  -0.006  -9.076
  518    HZ3  LYS  28           HZ3      LYS  28 -13.561   1.386  -8.324
  519    H    LYS  29           H        LYS  29 -16.278  -4.300  -4.311
  520    HA   LYS  29           HA       LYS  29 -18.571  -4.312  -6.024
  521    HB2  LYS  29           HB3      LYS  29 -18.653  -6.731  -5.493
  522    HB3  LYS  29           HB2      LYS  29 -17.113  -6.202  -6.139
  523    HG2  LYS  29           HG3      LYS  29 -16.166  -6.207  -3.893
  524    HG3  LYS  29           HG2      LYS  29 -17.721  -6.723  -3.238
  525    HD2  LYS  29           HD3      LYS  29 -17.604  -8.787  -4.503
  526    HD3  LYS  29           HD2      LYS  29 -16.098  -8.264  -5.260
  527    HE2  LYS  29           HE3      LYS  29 -15.010  -8.240  -3.076
  528    HE3  LYS  29           HE2      LYS  29 -16.514  -8.749  -2.313
  529    HZ1  LYS  29           HZ1      LYS  29 -16.416 -10.804  -3.553
  530    HZ2  LYS  29           HZ2      LYS  29 -14.993 -10.597  -2.665
  531    HZ3  LYS  29           HZ3      LYS  29 -14.997 -10.308  -4.331
  532    H    LEU  30           H        LEU  30 -18.015  -4.283  -2.568
  533    HA   LEU  30           HA       LEU  30 -20.633  -5.032  -1.781
  534    HB2  LEU  30           HB3      LEU  30 -18.551  -3.367  -0.370
  535    HB3  LEU  30           HB2      LEU  30 -20.058  -3.870   0.368
  536    HG   LEU  30           HG       LEU  30 -17.874  -5.715  -0.606
  537   HD11  LEU  30          HD11      LEU  30 -17.556  -6.202   1.773
  538   HD12  LEU  30          HD12      LEU  30 -18.756  -4.975   2.180
  539   HD13  LEU  30          HD13      LEU  30 -17.242  -4.506   1.405
  540   HD21  LEU  30          HD21      LEU  30 -20.052  -6.745  -0.861
  541   HD22  LEU  30          HD22      LEU  30 -20.482  -6.303   0.790
  542   HD23  LEU  30          HD23      LEU  30 -19.197  -7.473   0.497
  543    H    VAL  31           H        VAL  31 -19.190  -1.981  -2.733
  544    HA   VAL  31           HA       VAL  31 -21.542  -0.432  -2.113
  545    HB   VAL  31           HB       VAL  31 -19.256   0.318  -3.960
  546   HG11  VAL  31          HG11      VAL  31 -21.231   2.042  -2.466
  547   HG12  VAL  31          HG12      VAL  31 -21.257   1.711  -4.198
  548   HG13  VAL  31          HG13      VAL  31 -19.916   2.616  -3.492
  549   HG21  VAL  31          HG21      VAL  31 -18.287   1.481  -2.033
  550   HG22  VAL  31          HG22      VAL  31 -18.385  -0.259  -1.763
  551   HG23  VAL  31          HG23      VAL  31 -19.555   0.820  -1.001
  552    H    GLY  32           H        GLY  32 -20.398  -2.379  -4.708
  553    HA2  GLY  32           HA3      GLY  32 -22.141  -1.316  -6.728
  554    HA3  GLY  32           HA2      GLY  32 -21.216  -2.807  -6.822
  555    H    GLU  33           H        GLU  33 -22.093  -4.377  -4.898
  556    HA   GLU  33           HA       GLU  33 -24.967  -4.288  -4.681
  557    HB2  GLU  33           HB3      GLU  33 -25.362  -6.522  -5.631
  558    HB3  GLU  33           HB2      GLU  33 -24.799  -5.381  -6.836
  559    HG2  GLU  33           HG3      GLU  33 -22.947  -7.314  -5.485
  560    HG3  GLU  33           HG2      GLU  33 -23.878  -7.747  -6.915
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  21.167   1.613   4.245
    2    H2   GLY   1           H2       GLY   1  22.008   2.578   3.142
    3    H3   GLY   1           H3       GLY   1  22.516   0.994   3.437
    4    HA2  GLY   1           HA2      GLY   1  21.363   1.138   1.327
    5    HA3  GLY   1           HA3      GLY   1  20.507   0.111   2.468
    6    H    SER   2           H        SER   2  20.599   3.322   1.022
    7    HA   SER   2           HA       SER   2  17.713   3.449   1.096
    8    HB2  SER   2           HB3      SER   2  18.519   4.345   3.330
    9    HB3  SER   2           HB2      SER   2  19.292   5.653   2.438
   10    HG   SER   2           HG       SER   2  16.598   5.166   2.934
   11    H    MET   3           H        MET   3  20.473   5.692   0.741
   12    HA   MET   3           HA       MET   3  21.056   7.139  -0.896
   13    HB2  MET   3           HB3      MET   3  19.889   4.967  -2.649
   14    HB3  MET   3           HB2      MET   3  20.850   6.312  -3.235
   15    HG2  MET   3           HG3      MET   3  22.324   4.508  -3.127
   16    HG3  MET   3           HG2      MET   3  22.692   5.488  -1.712
   17    HE1  MET   3           HE1      MET   3  20.361   1.495  -1.583
   18    HE2  MET   3           HE2      MET   3  21.060   2.180  -3.050
   19    HE3  MET   3           HE3      MET   3  19.685   2.966  -2.278
   20    H    LYS   4           H        LYS   4  19.963   8.008  -3.231
   21    HA   LYS   4           HA       LYS   4  17.578   9.329  -2.292
   22    HB2  LYS   4           HB3      LYS   4  19.039   9.502  -4.929
   23    HB3  LYS   4           HB2      LYS   4  17.627  10.464  -4.524
   24    HG2  LYS   4           HG3      LYS   4  20.274  10.519  -3.093
   25    HG3  LYS   4           HG2      LYS   4  19.678  11.730  -4.224
   26    HD2  LYS   4           HD3      LYS   4  18.437  11.014  -1.566
   27    HD3  LYS   4           HD2      LYS   4  19.385  12.460  -1.909
   28    HE2  LYS   4           HE3      LYS   4  17.683  13.090  -3.613
   29    HE3  LYS   4           HE2      LYS   4  16.715  11.712  -3.096
   30    HZ1  LYS   4           HZ1      LYS   4  16.607  12.676  -0.876
   31    HZ2  LYS   4           HZ2      LYS   4  15.977  13.738  -2.026
   32    HZ3  LYS   4           HZ3      LYS   4  17.518  14.005  -1.390
   33    H    GLN   5           H        GLN   5  18.362   7.134  -4.974
   34    HA   GLN   5           HA       GLN   5  15.745   7.113  -6.024
   35    HB2  GLN   5           HB3      GLN   5  18.018   5.168  -6.397
   36    HB3  GLN   5           HB2      GLN   5  16.521   5.131  -7.319
   37    HG2  GLN   5           HG3      GLN   5  17.004   7.409  -8.129
   38    HG3  GLN   5           HG2      GLN   5  18.544   7.358  -7.276
   39   HE21  GLN   5          HE21      GLN   5  17.995   7.646 -10.119
   40   HE22  GLN   5          HE22      GLN   5  18.816   6.343 -10.903
   41    H    LEU   6           H        LEU   6  17.293   5.085  -3.570
   42    HA   LEU   6           HA       LEU   6  15.131   3.162  -3.775
   43    HB2  LEU   6           HB3      LEU   6  17.461   2.416  -3.440
   44    HB3  LEU   6           HB2      LEU   6  17.494   3.236  -1.896
   45    HG   LEU   6           HG       LEU   6  17.156   0.684  -1.943
   46   HD11  LEU   6          HD11      LEU   6  15.393   2.531  -0.354
   47   HD12  LEU   6          HD12      LEU   6  16.973   1.887   0.096
   48   HD13  LEU   6          HD13      LEU   6  15.583   0.815  -0.012
   49   HD21  LEU   6          HD21      LEU   6  15.398   0.681  -3.659
   50   HD22  LEU   6          HD22      LEU   6  14.337   1.561  -2.561
   51   HD23  LEU   6          HD23      LEU   6  14.859  -0.072  -2.160
   52    H    GLU   7           H        GLU   7  16.228   5.733  -1.599
   53    HA   GLU   7           HA       GLU   7  14.349   5.325   0.437
   54    HB2  GLU   7           HB3      GLU   7  16.212   6.830   0.743
   55    HB3  GLU   7           HB2      GLU   7  15.674   7.838  -0.593
   56    HG2  GLU   7           HG3      GLU   7  15.130   8.935   1.441
   57    HG3  GLU   7           HG2      GLU   7  13.647   8.362   0.685
   58    H    ASP   8           H        ASP   8  14.202   7.111  -2.611
   59    HA   ASP   8           HA       ASP   8  11.552   8.084  -2.222
   60    HB2  ASP   8           HB3      ASP   8  13.369   7.868  -4.600
   61    HB3  ASP   8           HB2      ASP   8  11.679   8.309  -4.818
   62    H    LYS   9           H        LYS   9  12.908   5.124  -3.424
   63    HA   LYS   9           HA       LYS   9  10.608   4.220  -4.826
   64    HB2  LYS   9           HB3      LYS   9  12.872   3.342  -5.248
   65    HB3  LYS   9           HB2      LYS   9  12.884   2.618  -3.647
   66    HG2  LYS   9           HG3      LYS   9  11.000   1.189  -4.285
   67    HG3  LYS   9           HG2      LYS   9  11.009   1.912  -5.894
   68    HD2  LYS   9           HD3      LYS   9  13.295   0.384  -4.648
   69    HD3  LYS   9           HD2      LYS   9  12.168  -0.256  -5.846
   70    HE2  LYS   9           HE3      LYS   9  14.016   2.093  -6.267
   71    HE3  LYS   9           HE2      LYS   9  14.307   0.453  -6.842
   72    HZ1  LYS   9           HZ1      LYS   9  12.033   2.188  -7.640
   73    HZ2  LYS   9           HZ2      LYS   9  12.302   0.611  -8.187
   74    HZ3  LYS   9           HZ3      LYS   9  13.393   1.842  -8.583
   75    H    VAL  10           H        VAL  10  11.936   3.374  -1.619
   76    HA   VAL  10           HA       VAL  10   9.762   1.709  -0.911
   77    HB   VAL  10           HB       VAL  10  11.938   1.551   0.216
   78   HG11  VAL  10          HG11      VAL  10  12.596   3.169   1.925
   79   HG12  VAL  10          HG12      VAL  10  11.226   4.189   1.484
   80   HG13  VAL  10          HG13      VAL  10  12.524   3.906   0.325
   81   HG21  VAL  10          HG21      VAL  10  11.116   1.319   2.519
   82   HG22  VAL  10          HG22      VAL  10   9.993   0.643   1.338
   83   HG23  VAL  10          HG23      VAL  10   9.660   2.210   2.076
   84    H    GLU  11           H        GLU  11  10.390   5.147  -0.484
   85    HA   GLU  11           HA       GLU  11   8.157   5.768   1.116
   86    HB2  GLU  11           HB3      GLU  11   9.984   7.351   0.772
   87    HB3  GLU  11           HB2      GLU  11   9.619   7.438  -0.944
   88    HG2  GLU  11           HG3      GLU  11   8.785   9.404   0.113
   89    HG3  GLU  11           HG2      GLU  11   7.414   8.414  -0.380
   90    H    GLU  12           H        GLU  12   8.627   5.614  -2.377
   91    HA   GLU  12           HA       GLU  12   6.156   6.546  -3.221
   92    HB2  GLU  12           HB3      GLU  12   8.001   6.211  -4.754
   93    HB3  GLU  12           HB2      GLU  12   7.949   4.475  -4.488
   94    HG2  GLU  12           HG3      GLU  12   5.760   4.360  -5.530
   95    HG3  GLU  12           HG2      GLU  12   5.760   6.108  -5.752
   96    H    LEU  13           H        LEU  13   7.100   3.120  -2.679
   97    HA   LEU  13           HA       LEU  13   4.483   2.262  -3.364
   98    HB2  LEU  13           HB3      LEU  13   6.767   0.759  -2.125
   99    HB3  LEU  13           HB2      LEU  13   5.241   0.019  -2.590
  100    HG   LEU  13           HG       LEU  13   6.258   1.631  -4.736
  101   HD11  LEU  13          HD11      LEU  13   8.454   1.144  -3.782
  102   HD12  LEU  13          HD12      LEU  13   8.224   0.265  -5.293
  103   HD13  LEU  13          HD13      LEU  13   8.074  -0.579  -3.751
  104   HD21  LEU  13          HD21      LEU  13   5.860  -1.353  -4.582
  105   HD22  LEU  13          HD22      LEU  13   5.856  -0.343  -6.025
  106   HD23  LEU  13          HD23      LEU  13   4.559  -0.194  -4.840
  107    H    LEU  14           H        LEU  14   5.811   3.177  -0.244
  108    HA   LEU  14           HA       LEU  14   3.423   2.082   0.977
  109    HB2  LEU  14           HB3      LEU  14   4.195   2.927   3.090
  110    HB3  LEU  14           HB2      LEU  14   5.453   2.020   2.292
  111    HG   LEU  14           HG       LEU  14   6.390   4.325   1.592
  112   HD11  LEU  14          HD11      LEU  14   4.408   5.635   2.260
  113   HD12  LEU  14          HD12      LEU  14   5.866   6.149   3.107
  114   HD13  LEU  14          HD13      LEU  14   4.673   5.149   3.934
  115   HD21  LEU  14          HD21      LEU  14   7.520   2.874   3.120
  116   HD22  LEU  14          HD22      LEU  14   6.394   3.278   4.416
  117   HD23  LEU  14          HD23      LEU  14   7.522   4.497   3.812
  118    H    SER  15           H        SER  15   4.422   4.992  -0.505
  119    HA   SER  15           HA       SER  15   2.236   6.580   0.373
  120    HB2  SER  15           HB3      SER  15   4.245   7.562  -0.708
  121    HB3  SER  15           HB2      SER  15   3.813   6.754  -2.213
  122    HG   SER  15           HG       SER  15   2.686   8.987  -0.993
  123    H    LYS  16           H        LYS  16   2.813   4.347  -2.373
  124    HA   LYS  16           HA       LYS  16   0.300   4.431  -3.559
  125    HB2  LYS  16           HB3      LYS  16   2.204   2.147  -3.060
  126    HB3  LYS  16           HB2      LYS  16   0.681   1.898  -3.901
  127    HG2  LYS  16           HG3      LYS  16   1.336   3.331  -5.681
  128    HG3  LYS  16           HG2      LYS  16   2.746   3.896  -4.787
  129    HD2  LYS  16           HD3      LYS  16   3.285   2.246  -6.569
  130    HD3  LYS  16           HD2      LYS  16   3.797   1.742  -4.964
  131    HE2  LYS  16           HE3      LYS  16   2.845  -0.154  -6.060
  132    HE3  LYS  16           HE2      LYS  16   1.721   0.373  -4.805
  133    HZ1  LYS  16           HZ1      LYS  16   0.374   1.455  -6.463
  134    HZ2  LYS  16           HZ2      LYS  16   0.607  -0.161  -6.907
  135    HZ3  LYS  16           HZ3      LYS  16   1.477   1.062  -7.682
  136    H    ASN  17           H        ASN  17   1.346   2.358  -0.881
  137    HA   ASN  17           HA       ASN  17  -1.107   1.283  -0.146
  138    HB2  ASN  17           HB3      ASN  17   0.805   0.297   0.779
  139    HB3  ASN  17           HB2      ASN  17   1.459   1.837   1.312
  140   HD21  ASN  17          HD21      ASN  17   0.885   2.653   3.268
  141   HD22  ASN  17          HD22      ASN  17  -0.018   1.760   4.438
  142    H    TYR  18           H        TYR  18   0.394   4.316   0.863
  143    HA   TYR  18           HA       TYR  18  -1.409   4.995   2.901
  144    HB2  TYR  18           HB3      TYR  18   0.759   6.088   2.666
  145    HB3  TYR  18           HB2      TYR  18   0.271   6.777   1.123
  146    HD1  TYR  18           HD1      TYR  18  -0.266   6.908   4.769
  147    HD2  TYR  18           HD2      TYR  18  -1.058   8.758   1.022
  148    HE1  TYR  18           HE1      TYR  18  -1.112   8.899   5.938
  149    HE2  TYR  18           HE2      TYR  18  -1.906  10.750   2.180
  150    HH   TYR  18           HH       TYR  18  -1.419  11.308   5.483
  151    H    HIS  19           H        HIS  19  -1.297   6.051  -0.497
  152    HA   HIS  19           HA       HIS  19  -3.734   7.525  -0.312
  153    HB2  HIS  19           HB3      HIS  19  -2.065   6.604  -2.647
  154    HB3  HIS  19           HB2      HIS  19  -3.581   7.470  -2.868
  155    HD1  HIS  19           HD1      HIS  19  -3.522   9.975  -2.633
  156    HD2  HIS  19           HD2      HIS  19  -0.012   8.154  -1.353
  157    HE1  HIS  19           HE1      HIS  19  -1.903  11.852  -2.208
  158    HE2  HIS  19           HE2      HIS  19   0.156  10.730  -1.283
  159    H    LEU  20           H        LEU  20  -2.900   4.249  -1.213
  160    HA   LEU  20           HA       LEU  20  -5.354   3.530  -2.373
  161    HB2  LEU  20           HB3      LEU  20  -3.204   2.293  -2.548
  162    HB3  LEU  20           HB2      LEU  20  -3.381   1.814  -0.873
  163    HG   LEU  20           HG       LEU  20  -5.443   0.621  -1.460
  164   HD11  LEU  20          HD11      LEU  20  -5.909   0.177  -3.846
  165   HD12  LEU  20          HD12      LEU  20  -4.686   1.372  -4.278
  166   HD13  LEU  20          HD13      LEU  20  -6.136   1.871  -3.409
  167   HD21  LEU  20          HD21      LEU  20  -3.355  -0.574  -1.337
  168   HD22  LEU  20          HD22      LEU  20  -2.966  -0.122  -2.996
  169   HD23  LEU  20          HD23      LEU  20  -4.311  -1.209  -2.672
  170    H    GLU  21           H        GLU  21  -4.144   3.549   0.945
  171    HA   GLU  21           HA       GLU  21  -6.366   2.301   2.165
  172    HB2  GLU  21           HB3      GLU  21  -4.150   2.757   3.253
  173    HB3  GLU  21           HB2      GLU  21  -4.606   4.450   3.358
  174    HG2  GLU  21           HG3      GLU  21  -6.510   3.847   4.768
  175    HG3  GLU  21           HG2      GLU  21  -6.042   2.150   4.667
  176    H    ASN  22           H        ASN  22  -5.810   5.569   1.062
  177    HA   ASN  22           HA       ASN  22  -8.036   6.792   2.296
  178    HB2  ASN  22           HB3      ASN  22  -6.599   7.470  -0.278
  179    HB3  ASN  22           HB2      ASN  22  -7.829   8.489   0.460
  180   HD21  ASN  22          HD21      ASN  22  -6.999   7.973   3.173
  181   HD22  ASN  22          HD22      ASN  22  -5.519   8.836   3.402
  182    H    GLU  23           H        GLU  23  -7.656   4.802  -0.522
  183    HA   GLU  23           HA       GLU  23 -10.299   5.313  -1.544
  184    HB2  GLU  23           HB3      GLU  23  -8.067   3.459  -2.290
  185    HB3  GLU  23           HB2      GLU  23  -9.706   3.118  -2.880
  186    HG2  GLU  23           HG3      GLU  23  -8.544   4.335  -4.560
  187    HG3  GLU  23           HG2      GLU  23  -9.757   5.401  -3.858
  188    H    VAL  24           H        VAL  24  -8.739   2.894   0.479
  189    HA   VAL  24           HA       VAL  24 -10.906   1.108   0.675
  190    HB   VAL  24           HB       VAL  24  -8.924   1.726   2.879
  191   HG11  VAL  24          HG11      VAL  24 -10.862   0.397   3.584
  192   HG12  VAL  24          HG12      VAL  24  -9.375  -0.550   3.626
  193   HG13  VAL  24          HG13      VAL  24 -10.525  -0.774   2.306
  194   HG21  VAL  24          HG21      VAL  24  -8.680  -0.317   0.678
  195   HG22  VAL  24          HG22      VAL  24  -7.541  -0.057   1.998
  196   HG23  VAL  24          HG23      VAL  24  -7.771   1.189   0.773
  197    H    ALA  25           H        ALA  25 -10.037   4.021   2.455
  198    HA   ALA  25           HA       ALA  25 -12.087   3.848   4.397
  199    HB1  ALA  25           HB1      ALA  25 -10.056   5.241   4.629
  200    HB2  ALA  25           HB2      ALA  25 -11.551   6.122   4.949
  201    HB3  ALA  25           HB3      ALA  25 -10.712   6.339   3.415
  202    H    ARG  26           H        ARG  26 -11.944   5.329   1.199
  203    HA   ARG  26           HA       ARG  26 -14.330   6.822   1.440
  204    HB2  ARG  26           HB3      ARG  26 -14.047   7.403  -0.776
  205    HB3  ARG  26           HB2      ARG  26 -12.418   6.934  -0.337
  206    HG2  ARG  26           HG3      ARG  26 -12.601   4.854  -1.473
  207    HG3  ARG  26           HG2      ARG  26 -14.340   5.083  -1.707
  208    HD2  ARG  26           HD2      ARG  26 -12.951   5.535  -3.730
  209    HD3  ARG  26           HD1      ARG  26 -13.991   6.865  -3.233
  210    HE   ARG  26           HE       ARG  26 -11.502   7.285  -2.059
  211   HH11  ARG  26          HH11      ARG  26 -12.881   7.098  -5.265
  212   HH12  ARG  26          HH12      ARG  26 -11.764   8.226  -5.961
  213   HH21  ARG  26          HH21      ARG  26 -10.016   8.781  -2.973
  214   HH22  ARG  26          HH22      ARG  26 -10.134   9.181  -4.657
  215    H    LEU  27           H        LEU  27 -13.643   3.592   0.236
  216    HA   LEU  27           HA       LEU  27 -16.354   3.021  -0.466
  217    HB2  LEU  27           HB3      LEU  27 -14.067   1.144   0.097
  218    HB3  LEU  27           HB2      LEU  27 -15.608   0.701  -0.603
  219    HG   LEU  27           HG       LEU  27 -13.905   2.747  -1.930
  220   HD11  LEU  27          HD11      LEU  27 -12.886   1.008  -3.257
  221   HD12  LEU  27          HD12      LEU  27 -13.741  -0.223  -2.329
  222   HD13  LEU  27          HD13      LEU  27 -12.514   0.775  -1.548
  223   HD21  LEU  27          HD21      LEU  27 -16.171   2.565  -2.714
  224   HD22  LEU  27          HD22      LEU  27 -16.019   0.812  -2.837
  225   HD23  LEU  27          HD23      LEU  27 -15.094   1.856  -3.919
  226    H    LYS  28           H        LYS  28 -14.361   2.300   2.359
  227    HA   LYS  28           HA       LYS  28 -16.075   0.744   3.832
  228    HB2  LYS  28           HB3      LYS  28 -13.775   1.304   4.488
  229    HB3  LYS  28           HB2      LYS  28 -14.281   2.945   4.856
  230    HG2  LYS  28           HG3      LYS  28 -15.646   2.182   6.672
  231    HG3  LYS  28           HG2      LYS  28 -15.350   0.496   6.240
  232    HD2  LYS  28           HD3      LYS  28 -13.958   1.137   8.125
  233    HD3  LYS  28           HD2      LYS  28 -12.962   0.812   6.706
  234    HE2  LYS  28           HE3      LYS  28 -12.817   3.223   6.270
  235    HE3  LYS  28           HE2      LYS  28 -13.790   3.535   7.705
  236    HZ1  LYS  28           HZ1      LYS  28 -11.108   2.261   7.648
  237    HZ2  LYS  28           HZ2      LYS  28 -12.047   2.479   9.035
  238    HZ3  LYS  28           HZ3      LYS  28 -11.465   3.823   8.194
  239    H    LYS  29           H        LYS  29 -16.100   4.300   3.581
  240    HA   LYS  29           HA       LYS  29 -18.278   4.543   5.419
  241    HB2  LYS  29           HB3      LYS  29 -18.189   6.882   4.967
  242    HB3  LYS  29           HB2      LYS  29 -16.542   6.300   5.085
  243    HG2  LYS  29           HG3      LYS  29 -16.426   6.259   2.617
  244    HG3  LYS  29           HG2      LYS  29 -18.042   6.965   2.564
  245    HD2  LYS  29           HD3      LYS  29 -17.147   8.864   3.943
  246    HD3  LYS  29           HD2      LYS  29 -15.535   8.186   3.709
  247    HE2  LYS  29           HE3      LYS  29 -15.853   9.899   2.077
  248    HE3  LYS  29           HE2      LYS  29 -15.906   8.344   1.248
  249    HZ1  LYS  29           HZ1      LYS  29 -17.654   9.741   0.434
  250    HZ2  LYS  29           HZ2      LYS  29 -18.229  10.034   1.996
  251    HZ3  LYS  29           HZ3      LYS  29 -18.355   8.488   1.328
  252    H    LEU  30           H        LEU  30 -17.979   4.054   1.999
  253    HA   LEU  30           HA       LEU  30 -20.633   4.886   1.335
  254    HB2  LEU  30           HB3      LEU  30 -18.405   3.565  -0.066
  255    HB3  LEU  30           HB2      LEU  30 -20.000   3.135  -0.642
  256    HG   LEU  30           HG       LEU  30 -18.901   4.998  -1.898
  257   HD11  LEU  30          HD11      LEU  30 -21.480   5.716  -0.510
  258   HD12  LEU  30          HD12      LEU  30 -21.327   4.677  -1.926
  259   HD13  LEU  30          HD13      LEU  30 -20.890   6.381  -2.032
  260   HD21  LEU  30          HD21      LEU  30 -17.805   6.114  -0.033
  261   HD22  LEU  30          HD22      LEU  30 -19.374   6.531   0.652
  262   HD23  LEU  30          HD23      LEU  30 -18.876   7.222  -0.889
  263    H    VAL  31           H        VAL  31 -19.136   1.814   2.213
  264    HA   VAL  31           HA       VAL  31 -21.579   0.329   1.858
  265    HB   VAL  31           HB       VAL  31 -19.160  -0.535   3.457
  266   HG11  VAL  31          HG11      VAL  31 -19.905  -2.790   2.906
  267   HG12  VAL  31          HG12      VAL  31 -21.276  -2.130   2.016
  268   HG13  VAL  31          HG13      VAL  31 -21.166  -1.901   3.761
  269   HG21  VAL  31          HG21      VAL  31 -19.661  -0.891   0.505
  270   HG22  VAL  31          HG22      VAL  31 -18.327  -1.594   1.419
  271   HG23  VAL  31          HG23      VAL  31 -18.440   0.155   1.228
  272    H    GLY  32           H        GLY  32 -20.093   2.179   4.374
  273    HA2  GLY  32           HA3      GLY  32 -21.700   1.019   6.491
  274    HA3  GLY  32           HA2      GLY  32 -20.549   2.338   6.653
  275    H    GLU  33           H        GLU  33 -21.416   4.218   4.962
  276    HA   GLU  33           HA       GLU  33 -22.815   5.986   4.809
  277    HB2  GLU  33           HB3      GLU  33 -24.942   3.864   5.126
  278    HB3  GLU  33           HB2      GLU  33 -25.254   5.530   4.661
  279    HG2  GLU  33           HG3      GLU  33 -23.554   3.588   3.113
  280    HG3  GLU  33           HG2      GLU  33 -25.232   3.990   2.750
  281    H1   GLY   1           H1       GLY   1  21.168  -1.792  -4.906
  282    H2   GLY   1           H2       GLY   1  22.004  -2.764  -3.806
  283    H3   GLY   1           H3       GLY   1  22.524  -1.182  -4.098
  284    HA2  GLY   1           HA2      GLY   1  21.371  -1.320  -1.987
  285    HA3  GLY   1           HA3      GLY   1  20.520  -0.288  -3.128
  286    H    SER   2           H        SER   2  20.600  -3.508  -1.701
  287    HA   SER   2           HA       SER   2  17.712  -3.624  -1.763
  288    HB2  SER   2           HB3      SER   2  18.499  -4.509  -4.003
  289    HB3  SER   2           HB2      SER   2  19.296  -5.813  -3.127
  290    HG   SER   2           HG       SER   2  16.591  -5.352  -3.591
  291    H    MET   3           H        MET   3  20.467  -5.874  -1.431
  292    HA   MET   3           HA       MET   3  21.055  -7.333   0.199
  293    HB2  MET   3           HB3      MET   3  19.898  -5.163   1.962
  294    HB3  MET   3           HB2      MET   3  20.857  -6.512   2.543
  295    HG2  MET   3           HG3      MET   3  22.334  -4.711   2.433
  296    HG3  MET   3           HG2      MET   3  22.698  -5.685   1.015
  297    HE1  MET   3           HE1      MET   3  20.378  -1.686   0.913
  298    HE2  MET   3           HE2      MET   3  21.085  -2.381   2.372
  299    HE3  MET   3           HE3      MET   3  19.702  -3.160   1.606
  300    H    LYS   4           H        LYS   4  19.971  -8.210   2.530
  301    HA   LYS   4           HA       LYS   4  17.578  -9.521   1.604
  302    HB2  LYS   4           HB3      LYS   4  19.057  -9.704   4.230
  303    HB3  LYS   4           HB2      LYS   4  17.643 -10.667   3.830
  304    HG2  LYS   4           HG3      LYS   4  20.284 -10.711   2.383
  305    HG3  LYS   4           HG2      LYS   4  19.691 -11.931   3.509
  306    HD2  LYS   4           HD3      LYS   4  18.433 -11.196   0.862
  307    HD3  LYS   4           HD2      LYS   4  19.384 -12.643   1.191
  308    HE2  LYS   4           HE3      LYS   4  17.695 -13.291   2.901
  309    HE3  LYS   4           HE2      LYS   4  16.724 -11.906   2.405
  310    HZ1  LYS   4           HZ1      LYS   4  16.590 -12.850   0.180
  311    HZ2  LYS   4           HZ2      LYS   4  15.976 -13.928   1.329
  312    HZ3  LYS   4           HZ3      LYS   4  17.510 -14.182   0.669
  313    H    GLN   5           H        GLN   5  18.383  -7.342   4.302
  314    HA   GLN   5           HA       GLN   5  15.769  -7.317   5.353
  315    HB2  GLN   5           HB3      GLN   5  18.042  -5.376   5.729
  316    HB3  GLN   5           HB2      GLN   5  16.550  -5.344   6.657
  317    HG2  GLN   5           HG3      GLN   5  17.035  -7.622   7.460
  318    HG3  GLN   5           HG2      GLN   5  18.569  -7.575   6.593
  319   HE21  GLN   5          HE21      GLN   5  18.052  -7.869   9.438
  320   HE22  GLN   5          HE22      GLN   5  18.885  -6.567  10.215
  321    H    LEU   6           H        LEU   6  17.312  -5.283   2.899
  322    HA   LEU   6           HA       LEU   6  15.154  -3.355   3.121
  323    HB2  LEU   6           HB3      LEU   6  17.484  -2.613   2.782
  324    HB3  LEU   6           HB2      LEU   6  17.510  -3.425   1.233
  325    HG   LEU   6           HG       LEU   6  17.176  -0.872   1.291
  326   HD11  LEU   6          HD11      LEU   6  15.401  -2.712  -0.295
  327   HD12  LEU   6          HD12      LEU   6  16.978  -2.068  -0.753
  328   HD13  LEU   6          HD13      LEU   6  15.589  -0.995  -0.632
  329   HD21  LEU   6          HD21      LEU   6  15.430  -0.871   3.016
  330   HD22  LEU   6          HD22      LEU   6  14.361  -1.749   1.923
  331   HD23  LEU   6          HD23      LEU   6  14.880  -0.114   1.523
  332    H    GLU   7           H        GLU   7  16.241  -5.917   0.928
  333    HA   GLU   7           HA       GLU   7  14.352  -5.498  -1.096
  334    HB2  GLU   7           HB3      GLU   7  16.211  -7.005  -1.414
  335    HB3  GLU   7           HB2      GLU   7  15.674  -8.021  -0.084
  336    HG2  GLU   7           HG3      GLU   7  15.117  -9.103  -2.119
  337    HG3  GLU   7           HG2      GLU   7  13.637  -8.521  -1.362
  338    H    ASP   8           H        ASP   8  14.216  -7.289   1.947
  339    HA   ASP   8           HA       ASP   8  11.564  -8.260   1.560
  340    HB2  ASP   8           HB3      ASP   8  13.392  -8.062   3.932
  341    HB3  ASP   8           HB2      ASP   8  11.701  -8.498   4.153
  342    H    LYS   9           H        LYS   9  12.922  -5.305   2.751
  343    HA   LYS   9           HA       LYS   9  10.632  -4.413   4.190
  344    HB2  LYS   9           HB3      LYS   9  12.901  -3.543   4.606
  345    HB3  LYS   9           HB2      LYS   9  12.908  -2.811   3.009
  346    HG2  LYS   9           HG3      LYS   9  11.035  -1.377   3.661
  347    HG3  LYS   9           HG2      LYS   9  11.043  -2.104   5.267
  348    HD2  LYS   9           HD3      LYS   9  13.329  -0.576   4.020
  349    HD3  LYS   9           HD2      LYS   9  12.208   0.059   5.225
  350    HE2  LYS   9           HE3      LYS   9  14.062  -2.288   5.626
  351    HE3  LYS   9           HE2      LYS   9  14.349  -0.654   6.212
  352    HZ1  LYS   9           HZ1      LYS   9  12.088  -2.406   7.007
  353    HZ2  LYS   9           HZ2      LYS   9  12.348  -0.833   7.563
  354    HZ3  LYS   9           HZ3      LYS   9  13.447  -2.057   7.950
  355    H    VAL  10           H        VAL  10  11.949  -3.549   0.980
  356    HA   VAL  10           HA       VAL  10   9.775  -1.879   0.287
  357    HB   VAL  10           HB       VAL  10  11.946  -1.719  -0.846
  358   HG11  VAL  10          HG11      VAL  10  12.597  -3.330  -2.567
  359   HG12  VAL  10          HG12      VAL  10  11.228  -4.352  -2.127
  360   HG13  VAL  10          HG13      VAL  10  12.531  -4.073  -0.969
  361   HG21  VAL  10          HG21      VAL  10  11.116  -1.475  -3.146
  362   HG22  VAL  10          HG22      VAL  10  10.000  -0.802  -1.956
  363   HG23  VAL  10          HG23      VAL  10   9.659  -2.364  -2.700
  364    H    GLU  11           H        GLU  11  10.397  -5.314  -0.164
  365    HA   GLU  11           HA       GLU  11   8.153  -5.923  -1.753
  366    HB2  GLU  11           HB3      GLU  11   9.977  -7.514  -1.431
  367    HB3  GLU  11           HB2      GLU  11   9.626  -7.605   0.287
  368    HG2  GLU  11           HG3      GLU  11   8.781  -9.567  -0.777
  369    HG3  GLU  11           HG2      GLU  11   7.416  -8.578  -0.261
  370    H    GLU  12           H        GLU  12   8.639  -5.785   1.740
  371    HA   GLU  12           HA       GLU  12   6.169  -6.722   2.589
  372    HB2  GLU  12           HB3      GLU  12   8.022  -6.396   4.120
  373    HB3  GLU  12           HB2      GLU  12   7.967  -4.659   3.864
  374    HG2  GLU  12           HG3      GLU  12   5.776  -4.554   4.906
  375    HG3  GLU  12           HG2      GLU  12   5.782  -6.302   5.124
  376    H    LEU  13           H        LEU  13   7.117  -3.291   2.064
  377    HA   LEU  13           HA       LEU  13   4.504  -2.432   2.757
  378    HB2  LEU  13           HB3      LEU  13   6.789  -0.931   1.519
  379    HB3  LEU  13           HB2      LEU  13   5.266  -0.188   1.989
  380    HG   LEU  13           HG       LEU  13   6.283  -1.810   4.127
  381   HD11  LEU  13          HD11      LEU  13   8.476  -1.328   3.167
  382   HD12  LEU  13          HD12      LEU  13   8.256  -0.454   4.682
  383   HD13  LEU  13          HD13      LEU  13   8.101   0.395   3.144
  384   HD21  LEU  13          HD21      LEU  13   5.896   1.176   3.985
  385   HD22  LEU  13          HD22      LEU  13   5.896   0.161   5.425
  386   HD23  LEU  13          HD23      LEU  13   4.590   0.021   4.247
  387    H    LEU  14           H        LEU  14   5.820  -3.337  -0.369
  388    HA   LEU  14           HA       LEU  14   3.430  -2.233  -1.578
  389    HB2  LEU  14           HB3      LEU  14   4.194  -3.068  -3.696
  390    HB3  LEU  14           HB2      LEU  14   5.458  -2.169  -2.897
  391    HG   LEU  14           HG       LEU  14   6.390  -4.480  -2.213
  392   HD11  LEU  14          HD11      LEU  14   4.403  -5.781  -2.879
  393   HD12  LEU  14          HD12      LEU  14   5.857  -6.294  -3.733
  394   HD13  LEU  14          HD13      LEU  14   4.662  -5.288  -4.553
  395   HD21  LEU  14          HD21      LEU  14   7.517  -3.026  -3.740
  396   HD22  LEU  14          HD22      LEU  14   6.385  -3.422  -5.033
  397   HD23  LEU  14          HD23      LEU  14   7.513  -4.646  -4.438
  398    H    SER  15           H        SER  15   4.432  -5.147  -0.111
  399    HA   SER  15           HA       SER  15   2.243  -6.727  -0.987
  400    HB2  SER  15           HB3      SER  15   4.249  -7.724   0.085
  401    HB3  SER  15           HB2      SER  15   3.824  -6.918   1.594
  402    HG   SER  15           HG       SER  15   2.675  -9.132   0.360
  403    H    LYS  16           H        LYS  16   2.830  -4.513   1.767
  404    HA   LYS  16           HA       LYS  16   0.325  -4.593   2.961
  405    HB2  LYS  16           HB3      LYS  16   2.227  -2.309   2.464
  406    HB3  LYS  16           HB2      LYS  16   0.708  -2.065   3.315
  407    HG2  LYS  16           HG3      LYS  16   1.368  -3.505   5.080
  408    HG3  LYS  16           HG2      LYS  16   2.772  -4.072   4.177
  409    HD2  LYS  16           HD3      LYS  16   3.327  -2.432   5.962
  410    HD3  LYS  16           HD2      LYS  16   3.828  -1.921   4.358
  411    HE2  LYS  16           HE3      LYS  16   2.889  -0.029   5.467
  412    HE3  LYS  16           HE2      LYS  16   1.754  -0.548   4.220
  413    HZ1  LYS  16           HZ1      LYS  16   0.415  -1.628   5.887
  414    HZ2  LYS  16           HZ2      LYS  16   0.655  -0.015   6.325
  415    HZ3  LYS  16           HZ3      LYS  16   1.526  -1.237   7.098
  416    H    ASN  17           H        ASN  17   1.358  -2.508   0.291
  417    HA   ASN  17           HA       ASN  17  -1.098  -1.431  -0.431
  418    HB2  ASN  17           HB3      ASN  17   0.808  -0.441  -1.362
  419    HB3  ASN  17           HB2      ASN  17   1.464  -1.980  -1.896
  420   HD21  ASN  17          HD21      ASN  17   0.893  -2.795  -3.850
  421   HD22  ASN  17          HD22      ASN  17  -0.030  -1.913  -5.012
  422    H    TYR  18           H        TYR  18   0.395  -4.464  -1.458
  423    HA   TYR  18           HA       TYR  18  -1.415  -5.130  -3.493
  424    HB2  TYR  18           HB3      TYR  18   0.755  -6.228  -3.267
  425    HB3  TYR  18           HB2      TYR  18   0.265  -6.925  -1.728
  426    HD1  TYR  18           HD1      TYR  18  -0.274  -7.039  -5.377
  427    HD2  TYR  18           HD2      TYR  18  -1.069  -8.900  -1.636
  428    HE1  TYR  18           HE1      TYR  18  -1.134  -9.022  -6.552
  429    HE2  TYR  18           HE2      TYR  18  -1.929 -10.887  -2.799
  430    HH   TYR  18           HH       TYR  18  -1.460 -11.437  -6.104
  431    H    HIS  19           H        HIS  19  -1.290  -6.201  -0.096
  432    HA   HIS  19           HA       HIS  19  -3.732  -7.668  -0.282
  433    HB2  HIS  19           HB3      HIS  19  -2.053  -6.765   2.049
  434    HB3  HIS  19           HB2      HIS  19  -3.569  -7.626   2.273
  435    HD1  HIS  19           HD1      HIS  19  -3.518 -10.142   2.019
  436    HD2  HIS  19           HD2      HIS  19  -0.011  -8.313   0.732
  437    HE1  HIS  19           HE1      HIS  19  -1.901 -12.012   1.581
  438    HE2  HIS  19           HE2      HIS  19   0.176 -10.890   0.700
  439    H    LEU  20           H        LEU  20  -2.893  -4.397   0.622
  440    HA   LEU  20           HA       LEU  20  -5.339  -3.680   1.801
  441    HB2  LEU  20           HB3      LEU  20  -3.184  -2.447   1.970
  442    HB3  LEU  20           HB2      LEU  20  -3.372  -1.960   0.300
  443    HG   LEU  20           HG       LEU  20  -5.427  -0.766   0.904
  444   HD11  LEU  20          HD11      LEU  20  -5.883  -0.337   3.296
  445   HD12  LEU  20          HD12      LEU  20  -4.662  -1.538   3.716
  446   HD13  LEU  20          HD13      LEU  20  -6.117  -2.025   2.847
  447   HD21  LEU  20          HD21      LEU  20  -3.338   0.430   0.782
  448   HD22  LEU  20          HD22      LEU  20  -2.944  -0.030   2.437
  449   HD23  LEU  20          HD23      LEU  20  -4.291   1.058   2.123
  450    H    GLU  21           H        GLU  21  -4.144  -3.684  -1.520
  451    HA   GLU  21           HA       GLU  21  -6.370  -2.431  -2.724
  452    HB2  GLU  21           HB3      GLU  21  -4.160  -2.883  -3.827
  453    HB3  GLU  21           HB2      GLU  21  -4.619  -4.575  -3.937
  454    HG2  GLU  21           HG3      GLU  21  -6.530  -3.965  -5.331
  455    HG3  GLU  21           HG2      GLU  21  -6.062  -2.269  -5.225
  456    H    ASN  22           H        ASN  22  -5.814  -5.702  -1.636
  457    HA   ASN  22           HA       ASN  22  -8.050  -6.915  -2.867
  458    HB2  ASN  22           HB3      ASN  22  -6.602  -7.613  -0.306
  459    HB3  ASN  22           HB2      ASN  22  -7.833  -8.625  -1.050
  460   HD21  ASN  22          HD21      ASN  22  -7.008  -8.079  -3.762
  461   HD22  ASN  22          HD22      ASN  22  -5.523  -8.927  -4.002
  462    H    GLU  23           H        GLU  23  -7.649  -4.934  -0.047
  463    HA   GLU  23           HA       GLU  23 -10.288  -5.452   0.988
  464    HB2  GLU  23           HB3      GLU  23  -8.050  -3.606   1.737
  465    HB3  GLU  23           HB2      GLU  23  -9.688  -3.262   2.334
  466    HG2  GLU  23           HG3      GLU  23  -8.525  -4.491   4.006
  467    HG3  GLU  23           HG2      GLU  23  -9.740  -5.552   3.302
  468    H    VAL  24           H        VAL  24  -8.732  -3.027  -1.035
  469    HA   VAL  24           HA       VAL  24 -10.900  -1.236  -1.212
  470    HB   VAL  24           HB       VAL  24  -8.925  -1.847  -3.425
  471   HG11  VAL  24          HG11      VAL  24 -10.863  -0.515  -4.117
  472   HG12  VAL  24          HG12      VAL  24  -9.377   0.431  -4.162
  473   HG13  VAL  24          HG13      VAL  24 -10.522   0.650  -2.836
  474   HG21  VAL  24          HG21      VAL  24  -8.672   0.187  -1.217
  475   HG22  VAL  24          HG22      VAL  24  -7.540  -0.067  -2.543
  476   HG23  VAL  24          HG23      VAL  24  -7.762  -1.320  -1.323
  477    H    ALA  25           H        ALA  25 -10.038  -4.136  -3.018
  478    HA   ALA  25           HA       ALA  25 -12.096  -3.957  -4.946
  479    HB1  ALA  25           HB1      ALA  25 -10.070  -5.356  -5.192
  480    HB2  ALA  25           HB2      ALA  25 -11.567  -6.233  -5.509
  481    HB3  ALA  25           HB3      ALA  25 -10.723  -6.455  -3.977
  482    H    ARG  26           H        ARG  26 -11.943  -5.451  -1.753
  483    HA   ARG  26           HA       ARG  26 -14.334  -6.935  -1.988
  484    HB2  ARG  26           HB3      ARG  26 -14.043  -7.527   0.221
  485    HB3  ARG  26           HB2      ARG  26 -12.415  -7.059  -0.221
  486    HG2  ARG  26           HG3      ARG  26 -12.589  -4.986   0.927
  487    HG3  ARG  26           HG2      ARG  26 -14.326  -5.213   1.167
  488    HD2  ARG  26           HD2      ARG  26 -12.930  -5.678   3.180
  489    HD3  ARG  26           HD1      ARG  26 -13.977  -7.002   2.679
  490    HE   ARG  26           HE       ARG  26 -11.495  -7.426   1.496
  491   HH11  ARG  26          HH11      ARG  26 -12.880  -7.255   4.695
  492   HH12  ARG  26          HH12      ARG  26 -11.754  -8.375   5.391
  493   HH21  ARG  26          HH21      ARG  26 -10.011  -8.929   2.399
  494   HH22  ARG  26          HH22      ARG  26 -10.117  -9.324   4.084
  495    H    LEU  27           H        LEU  27 -13.634  -3.712  -0.782
  496    HA   LEU  27           HA       LEU  27 -16.342  -3.147  -0.057
  497    HB2  LEU  27           HB3      LEU  27 -14.060  -1.266  -0.618
  498    HB3  LEU  27           HB2      LEU  27 -15.597  -0.827   0.088
  499    HG   LEU  27           HG       LEU  27 -13.892  -2.878   1.401
  500   HD11  LEU  27          HD11      LEU  27 -12.861  -1.146   2.731
  501   HD12  LEU  27          HD12      LEU  27 -13.716   0.091   1.809
  502   HD13  LEU  27          HD13      LEU  27 -12.496  -0.912   1.020
  503   HD21  LEU  27          HD21      LEU  27 -16.155  -2.694   2.194
  504   HD22  LEU  27          HD22      LEU  27 -15.998  -0.943   2.331
  505   HD23  LEU  27          HD23      LEU  27 -15.071  -1.998   3.401
  506    H    LYS  28           H        LYS  28 -14.363  -2.410  -2.888
  507    HA   LYS  28           HA       LYS  28 -16.083  -0.848  -4.345
  508    HB2  LYS  28           HB3      LYS  28 -13.785  -1.408  -5.009
  509    HB3  LYS  28           HB2      LYS  28 -14.295  -3.046  -5.390
  510    HG2  LYS  28           HG3      LYS  28 -15.666  -2.262  -7.194
  511    HG3  LYS  28           HG2      LYS  28 -15.359  -0.581  -6.747
  512    HD2  LYS  28           HD3      LYS  28 -13.979  -1.215  -8.642
  513    HD3  LYS  28           HD2      LYS  28 -12.972  -0.901  -7.228
  514    HE2  LYS  28           HE3      LYS  28 -12.838  -3.317  -6.808
  515    HE3  LYS  28           HE2      LYS  28 -13.820  -3.614  -8.240
  516    HZ1  LYS  28           HZ1      LYS  28 -11.131  -2.363  -8.183
  517    HZ2  LYS  28           HZ2      LYS  28 -12.079  -2.549  -9.570
  518    HZ3  LYS  28           HZ3      LYS  28 -11.505  -3.910  -8.750
  519    H    LYS  29           H        LYS  29 -16.107  -4.404  -4.113
  520    HA   LYS  29           HA       LYS  29 -18.295  -4.635  -5.942
  521    HB2  LYS  29           HB3      LYS  29 -18.209  -6.978  -5.497
  522    HB3  LYS  29           HB2      LYS  29 -16.563  -6.397  -5.627
  523    HG2  LYS  29           HG3      LYS  29 -16.428  -6.360  -3.158
  524    HG3  LYS  29           HG2      LYS  29 -18.045  -7.063  -3.095
  525    HD2  LYS  29           HD3      LYS  29 -17.162  -8.959  -4.488
  526    HD3  LYS  29           HD2      LYS  29 -15.549  -8.287  -4.251
  527    HE2  LYS  29           HE3      LYS  29 -15.874 -10.013  -2.632
  528    HE3  LYS  29           HE2      LYS  29 -15.914  -8.463  -1.793
  529    HZ1  LYS  29           HZ1      LYS  29 -17.670  -9.849  -0.980
  530    HZ2  LYS  29           HZ2      LYS  29 -18.247 -10.141  -2.539
  531    HZ3  LYS  29           HZ3      LYS  29 -18.369  -8.594  -1.874
  532    H    LEU  30           H        LEU  30 -17.980  -4.165  -2.519
  533    HA   LEU  30           HA       LEU  30 -20.634  -4.993  -1.845
  534    HB2  LEU  30           HB3      LEU  30 -18.394  -3.685  -0.454
  535    HB3  LEU  30           HB2      LEU  30 -19.985  -3.251   0.132
  536    HG   LEU  30           HG       LEU  30 -18.882  -5.124   1.374
  537   HD11  LEU  30          HD11      LEU  30 -21.469  -5.829  -0.000
  538   HD12  LEU  30          HD12      LEU  30 -21.305  -4.794   1.416
  539   HD13  LEU  30          HD13      LEU  30 -20.872  -6.500   1.516
  540   HD21  LEU  30          HD21      LEU  30 -17.803  -6.237  -0.502
  541   HD22  LEU  30          HD22      LEU  30 -19.378  -6.642  -1.181
  542   HD23  LEU  30          HD23      LEU  30 -18.874  -7.344   0.355
  543    H    VAL  31           H        VAL  31 -19.133  -1.920  -2.716
  544    HA   VAL  31           HA       VAL  31 -21.573  -0.433  -2.347
  545    HB   VAL  31           HB       VAL  31 -19.160   0.437  -3.951
  546   HG11  VAL  31          HG11      VAL  31 -19.903   2.689  -3.387
  547   HG12  VAL  31          HG12      VAL  31 -21.269   2.024  -2.493
  548   HG13  VAL  31          HG13      VAL  31 -21.167   1.804  -4.240
  549   HG21  VAL  31          HG21      VAL  31 -19.650   0.782  -0.997
  550   HG22  VAL  31          HG22      VAL  31 -18.319   1.485  -1.914
  551   HG23  VAL  31          HG23      VAL  31 -18.434  -0.264  -1.728
  552    H    GLY  32           H        GLY  32 -20.099  -2.268  -4.877
  553    HA2  GLY  32           HA3      GLY  32 -21.719  -1.103  -6.981
  554    HA3  GLY  32           HA2      GLY  32 -20.569  -2.419  -7.153
  555    H    GLU  33           H        GLU  33 -21.430  -4.307  -5.469
  556    HA   GLU  33           HA       GLU  33 -22.830  -6.072  -5.312
  557    HB2  GLU  33           HB3      GLU  33 -24.957  -3.947  -5.625
  558    HB3  GLU  33           HB2      GLU  33 -25.272  -5.613  -5.163
  559    HG2  GLU  33           HG3      GLU  33 -23.564  -3.678  -3.613
  560    HG3  GLU  33           HG2      GLU  33 -25.241  -4.081  -3.247
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  26.648   1.852  -1.538
    2    H2   GLY   1           H2       GLY   1  25.764   1.864  -0.099
    3    H3   GLY   1           H3       GLY   1  27.224   2.705  -0.198
    4    HA2  GLY   1           HA2      GLY   1  25.375   4.226  -0.312
    5    HA3  GLY   1           HA3      GLY   1  26.286   4.220  -1.815
    6    H    SER   2           H        SER   2  24.194   5.179  -2.532
    7    HA   SER   2           HA       SER   2  22.444   4.984  -4.007
    8    HB2  SER   2           HB3      SER   2  22.863   1.994  -3.785
    9    HB3  SER   2           HB2      SER   2  21.875   2.818  -4.988
   10    HG   SER   2           HG       SER   2  24.233   3.953  -5.103
   11    H    MET   3           H        MET   3  22.399   4.559  -0.949
   12    HA   MET   3           HA       MET   3  20.114   3.007  -0.338
   13    HB2  MET   3           HB3      MET   3  21.653   5.112   1.155
   14    HB3  MET   3           HB2      MET   3  20.207   4.379   1.838
   15    HG2  MET   3           HG3      MET   3  22.664   2.877   0.960
   16    HG3  MET   3           HG2      MET   3  22.286   3.329   2.623
   17    HE1  MET   3           HE1      MET   3  21.708  -0.558   2.566
   18    HE2  MET   3           HE2      MET   3  22.587   0.770   3.325
   19    HE3  MET   3           HE3      MET   3  22.922   0.334   1.648
   20    H    LYS   4           H        LYS   4  20.577   6.345  -1.252
   21    HA   LYS   4           HA       LYS   4  18.175   7.456  -0.402
   22    HB2  LYS   4           HB3      LYS   4  20.008   8.777  -1.358
   23    HB3  LYS   4           HB2      LYS   4  19.707   8.068  -2.938
   24    HG2  LYS   4           HG3      LYS   4  17.471   9.089  -2.952
   25    HG3  LYS   4           HG2      LYS   4  17.814   9.831  -1.389
   26    HD2  LYS   4           HD3      LYS   4  19.372  10.313  -3.929
   27    HD3  LYS   4           HD2      LYS   4  18.142  11.390  -3.271
   28    HE2  LYS   4           HE3      LYS   4  20.722  10.613  -1.915
   29    HE3  LYS   4           HE2      LYS   4  20.398  12.151  -2.710
   30    HZ1  LYS   4           HZ1      LYS   4  18.650  12.573  -1.097
   31    HZ2  LYS   4           HZ2      LYS   4  20.129  12.320  -0.322
   32    HZ3  LYS   4           HZ3      LYS   4  18.964  11.098  -0.334
   33    H    GLN   5           H        GLN   5  18.902   5.880  -3.502
   34    HA   GLN   5           HA       GLN   5  16.311   6.240  -4.574
   35    HB2  GLN   5           HB3      GLN   5  18.525   4.337  -5.334
   36    HB3  GLN   5           HB2      GLN   5  17.033   4.500  -6.244
   37    HG2  GLN   5           HG3      GLN   5  18.639   5.802  -7.363
   38    HG3  GLN   5           HG2      GLN   5  17.586   6.933  -6.520
   39   HE21  GLN   5          HE21      GLN   5  20.115   5.025  -5.011
   40   HE22  GLN   5          HE22      GLN   5  21.138   6.365  -4.610
   41    H    LEU   6           H        LEU   6  17.787   3.658  -2.699
   42    HA   LEU   6           HA       LEU   6  15.666   1.803  -3.060
   43    HB2  LEU   6           HB3      LEU   6  17.991   2.024  -1.215
   44    HB3  LEU   6           HB2      LEU   6  16.692   0.937  -0.768
   45    HG   LEU   6           HG       LEU   6  18.495  -0.250  -1.913
   46   HD11  LEU   6          HD11      LEU   6  16.002  -0.088  -3.601
   47   HD12  LEU   6          HD12      LEU   6  16.192  -1.056  -2.139
   48   HD13  LEU   6          HD13      LEU   6  17.162  -1.416  -3.568
   49   HD21  LEU   6          HD21      LEU   6  19.334   1.563  -3.308
   50   HD22  LEU   6          HD22      LEU   6  17.853   1.524  -4.266
   51   HD23  LEU   6          HD23      LEU   6  18.950   0.144  -4.282
   52    H    GLU   7           H        GLU   7  16.406   4.182  -0.538
   53    HA   GLU   7           HA       GLU   7  14.166   3.567   1.083
   54    HB2  GLU   7           HB3      GLU   7  15.818   6.087   0.863
   55    HB3  GLU   7           HB2      GLU   7  14.590   5.819   2.093
   56    HG2  GLU   7           HG3      GLU   7  15.829   3.918   2.948
   57    HG3  GLU   7           HG2      GLU   7  17.043   4.125   1.687
   58    H    ASP   8           H        ASP   8  14.680   5.874  -1.543
   59    HA   ASP   8           HA       ASP   8  12.135   7.107  -1.373
   60    HB2  ASP   8           HB3      ASP   8  14.248   6.951  -3.484
   61    HB3  ASP   8           HB2      ASP   8  12.654   7.562  -3.915
   62    H    LYS   9           H        LYS   9  13.239   4.133  -2.769
   63    HA   LYS   9           HA       LYS   9  10.975   3.656  -4.425
   64    HB2  LYS   9           HB3      LYS   9  13.250   2.518  -4.547
   65    HB3  LYS   9           HB2      LYS   9  12.747   1.565  -3.159
   66    HG2  LYS   9           HG3      LYS   9  10.950   0.583  -4.415
   67    HG3  LYS   9           HG2      LYS   9  11.286   1.641  -5.789
   68    HD2  LYS   9           HD3      LYS   9  13.568   0.627  -5.908
   69    HD3  LYS   9           HD2      LYS   9  13.061  -0.527  -4.678
   70    HE2  LYS   9           HE3      LYS   9  11.755  -0.161  -7.371
   71    HE3  LYS   9           HE2      LYS   9  12.901  -1.434  -6.964
   72    HZ1  LYS   9           HZ1      LYS   9  10.631  -2.219  -6.832
   73    HZ2  LYS   9           HZ2      LYS   9  10.248  -1.026  -5.703
   74    HZ3  LYS   9           HZ3      LYS   9  11.348  -2.247  -5.303
   75    H    VAL  10           H        VAL  10  11.824   2.888  -1.094
   76    HA   VAL  10           HA       VAL  10   9.481   1.423  -0.455
   77    HB   VAL  10           HB       VAL  10  11.183   3.091   1.413
   78   HG11  VAL  10          HG11      VAL  10   9.333   0.772   1.954
   79   HG12  VAL  10          HG12      VAL  10   9.042   2.460   2.376
   80   HG13  VAL  10          HG13      VAL  10  10.355   1.571   3.148
   81   HG21  VAL  10          HG21      VAL  10  11.458   0.178   0.680
   82   HG22  VAL  10          HG22      VAL  10  12.415   1.041   1.885
   83   HG23  VAL  10          HG23      VAL  10  12.544   1.475   0.180
   84    H    GLU  11           H        GLU  11  10.359   4.849  -0.160
   85    HA   GLU  11           HA       GLU  11   7.940   5.700   1.020
   86    HB2  GLU  11           HB3      GLU  11   9.868   7.271  -0.700
   87    HB3  GLU  11           HB2      GLU  11   8.621   7.962   0.327
   88    HG2  GLU  11           HG3      GLU  11  10.990   6.354   1.254
   89    HG3  GLU  11           HG2      GLU  11  10.806   8.103   1.375
   90    H    GLU  12           H        GLU  12   8.960   5.320  -2.327
   91    HA   GLU  12           HA       GLU  12   6.734   6.371  -3.623
   92    HB2  GLU  12           HB3      GLU  12   8.747   5.619  -4.806
   93    HB3  GLU  12           HB2      GLU  12   8.376   3.951  -4.396
   94    HG2  GLU  12           HG3      GLU  12   6.315   4.097  -5.714
   95    HG3  GLU  12           HG2      GLU  12   6.722   5.757  -6.146
   96    H    LEU  13           H        LEU  13   7.262   2.959  -2.640
   97    HA   LEU  13           HA       LEU  13   4.599   2.216  -3.215
   98    HB2  LEU  13           HB3      LEU  13   6.894   0.930  -1.867
   99    HB3  LEU  13           HB2      LEU  13   5.300   0.281  -1.519
  100    HG   LEU  13           HG       LEU  13   4.997   0.223  -4.077
  101   HD11  LEU  13          HD11      LEU  13   6.934   1.541  -4.674
  102   HD12  LEU  13          HD12      LEU  13   7.074  -0.088  -5.335
  103   HD13  LEU  13          HD13      LEU  13   8.001   0.367  -3.905
  104   HD21  LEU  13          HD21      LEU  13   5.139  -1.762  -2.698
  105   HD22  LEU  13          HD22      LEU  13   6.900  -1.655  -2.683
  106   HD23  LEU  13          HD23      LEU  13   6.049  -1.992  -4.191
  107    H    LEU  14           H        LEU  14   5.945   3.816  -0.454
  108    HA   LEU  14           HA       LEU  14   3.772   3.185   1.269
  109    HB2  LEU  14           HB3      LEU  14   6.043   4.217   1.927
  110    HB3  LEU  14           HB2      LEU  14   5.332   5.745   1.407
  111    HG   LEU  14           HG       LEU  14   3.754   4.109   3.329
  112   HD11  LEU  14          HD11      LEU  14   6.122   5.720   4.277
  113   HD12  LEU  14          HD12      LEU  14   6.055   3.958   4.224
  114   HD13  LEU  14          HD13      LEU  14   4.947   4.851   5.262
  115   HD21  LEU  14          HD21      LEU  14   2.914   6.234   2.486
  116   HD22  LEU  14          HD22      LEU  14   4.333   7.057   3.134
  117   HD23  LEU  14          HD23      LEU  14   3.181   6.289   4.229
  118    H    SER  15           H        SER  15   4.473   5.762  -1.029
  119    HA   SER  15           HA       SER  15   2.048   7.165  -0.704
  120    HB2  SER  15           HB3      SER  15   4.035   8.070  -1.898
  121    HB3  SER  15           HB2      SER  15   3.755   6.911  -3.195
  122    HG   SER  15           HG       SER  15   2.869   9.008  -3.602
  123    H    LYS  16           H        LYS  16   3.019   4.403  -2.667
  124    HA   LYS  16           HA       LYS  16   0.736   4.053  -4.210
  125    HB2  LYS  16           HB3      LYS  16   2.826   2.772  -4.480
  126    HB3  LYS  16           HB2      LYS  16   2.500   1.929  -2.973
  127    HG2  LYS  16           HG3      LYS  16   0.490   0.943  -3.963
  128    HG3  LYS  16           HG2      LYS  16   0.837   1.780  -5.478
  129    HD2  LYS  16           HD3      LYS  16   2.962   0.581  -5.659
  130    HD3  LYS  16           HD2      LYS  16   2.631  -0.244  -4.136
  131    HE2  LYS  16           HE3      LYS  16   2.101  -1.719  -5.968
  132    HE3  LYS  16           HE2      LYS  16   0.613  -1.238  -5.153
  133    HZ1  LYS  16           HZ1      LYS  16   1.648  -0.063  -7.675
  134    HZ2  LYS  16           HZ2      LYS  16   0.216   0.381  -6.894
  135    HZ3  LYS  16           HZ3      LYS  16   0.373  -1.165  -7.551
  136    H    ASN  17           H        ASN  17   1.407   2.802  -0.916
  137    HA   ASN  17           HA       ASN  17  -1.232   1.646  -0.792
  138    HB2  ASN  17           HB3      ASN  17  -0.659   0.727   1.305
  139    HB3  ASN  17           HB2      ASN  17   0.803   0.629   0.337
  140   HD21  ASN  17          HD21      ASN  17   2.602   1.672   0.987
  141   HD22  ASN  17          HD22      ASN  17   2.709   2.570   2.462
  142    H    TYR  18           H        TYR  18   0.356   4.537   0.465
  143    HA   TYR  18           HA       TYR  18  -1.579   5.402   2.247
  144    HB2  TYR  18           HB3      TYR  18   0.533   6.571   2.009
  145    HB3  TYR  18           HB2      TYR  18   0.125   7.044   0.365
  146    HD1  TYR  18           HD1      TYR  18  -1.119   7.394   3.866
  147    HD2  TYR  18           HD2      TYR  18  -0.822   9.127  -0.009
  148    HE1  TYR  18           HE1      TYR  18  -2.143   9.461   4.716
  149    HE2  TYR  18           HE2      TYR  18  -1.842  11.199   0.833
  150    HH   TYR  18           HH       TYR  18  -2.237  11.840   4.153
  151    H    HIS  19           H        HIS  19  -1.405   6.086  -1.251
  152    HA   HIS  19           HA       HIS  19  -3.894   7.470  -1.306
  153    HB2  HIS  19           HB3      HIS  19  -2.219   6.236  -3.494
  154    HB3  HIS  19           HB2      HIS  19  -3.717   7.103  -3.810
  155    HD1  HIS  19           HD1      HIS  19  -0.184   7.629  -3.627
  156    HD2  HIS  19           HD2      HIS  19  -3.555   9.878  -2.700
  157    HE1  HIS  19           HE1      HIS  19   0.597  10.013  -3.540
  158    HE2  HIS  19           HE2      HIS  19  -1.421  11.333  -2.822
  159    H    LEU  20           H        LEU  20  -2.961   4.138  -1.610
  160    HA   LEU  20           HA       LEU  20  -5.400   3.181  -2.692
  161    HB2  LEU  20           HB3      LEU  20  -3.194   2.033  -2.809
  162    HB3  LEU  20           HB2      LEU  20  -3.289   1.746  -1.085
  163    HG   LEU  20           HG       LEU  20  -5.279   0.370  -1.430
  164   HD11  LEU  20          HD11      LEU  20  -6.151   1.385  -3.452
  165   HD12  LEU  20          HD12      LEU  20  -5.874  -0.337  -3.712
  166   HD13  LEU  20          HD13      LEU  20  -4.737   0.846  -4.355
  167   HD21  LEU  20          HD21      LEU  20  -2.902  -0.429  -3.096
  168   HD22  LEU  20          HD22      LEU  20  -4.124  -1.524  -2.456
  169   HD23  LEU  20          HD23      LEU  20  -3.065  -0.646  -1.355
  170    H    GLU  21           H        GLU  21  -4.157   3.822   0.516
  171    HA   GLU  21           HA       GLU  21  -6.224   2.594   2.005
  172    HB2  GLU  21           HB3      GLU  21  -4.075   3.345   2.974
  173    HB3  GLU  21           HB2      GLU  21  -4.550   5.016   2.707
  174    HG2  GLU  21           HG3      GLU  21  -6.430   4.719   4.247
  175    HG3  GLU  21           HG2      GLU  21  -5.927   3.052   4.526
  176    H    ASN  22           H        ASN  22  -5.895   5.771   0.508
  177    HA   ASN  22           HA       ASN  22  -8.249   6.930   1.505
  178    HB2  ASN  22           HB3      ASN  22  -6.762   7.372  -1.080
  179    HB3  ASN  22           HB2      ASN  22  -8.183   8.308  -0.632
  180   HD21  ASN  22          HD21      ASN  22  -8.069   9.678   1.186
  181   HD22  ASN  22          HD22      ASN  22  -6.545  10.240   1.783
  182    H    GLU  23           H        GLU  23  -7.660   4.596  -0.973
  183    HA   GLU  23           HA       GLU  23 -10.199   4.760  -2.264
  184    HB2  GLU  23           HB3      GLU  23  -8.194   2.487  -2.205
  185    HB3  GLU  23           HB2      GLU  23  -9.559   2.637  -3.329
  186    HG2  GLU  23           HG3      GLU  23  -7.258   4.576  -3.136
  187    HG3  GLU  23           HG2      GLU  23  -7.385   3.270  -4.313
  188    H    VAL  24           H        VAL  24  -8.843   2.780   0.332
  189    HA   VAL  24           HA       VAL  24 -11.116   1.090   0.597
  190    HB   VAL  24           HB       VAL  24  -9.158   1.735   2.806
  191   HG11  VAL  24          HG11      VAL  24 -10.820  -0.727   2.245
  192   HG12  VAL  24          HG12      VAL  24 -11.147   0.489   3.483
  193   HG13  VAL  24          HG13      VAL  24  -9.702  -0.514   3.594
  194   HG21  VAL  24          HG21      VAL  24  -7.810  -0.146   2.047
  195   HG22  VAL  24          HG22      VAL  24  -7.903   1.101   0.805
  196   HG23  VAL  24          HG23      VAL  24  -8.875  -0.362   0.660
  197    H    ALA  25           H        ALA  25 -10.087   4.115   2.071
  198    HA   ALA  25           HA       ALA  25 -11.982   4.161   4.157
  199    HB1  ALA  25           HB1      ALA  25 -11.380   6.434   4.500
  200    HB2  ALA  25           HB2      ALA  25 -10.757   6.575   2.859
  201    HB3  ALA  25           HB3      ALA  25  -9.919   5.559   4.035
  202    H    ARG  26           H        ARG  26 -12.126   5.457   0.847
  203    HA   ARG  26           HA       ARG  26 -14.535   6.858   1.240
  204    HB2  ARG  26           HB3      ARG  26 -14.716   6.754  -1.265
  205    HB3  ARG  26           HB2      ARG  26 -13.282   7.529  -0.628
  206    HG2  ARG  26           HG3      ARG  26 -11.960   5.587  -1.170
  207    HG3  ARG  26           HG2      ARG  26 -13.394   4.699  -1.688
  208    HD2  ARG  26           HD2      ARG  26 -12.240   7.178  -2.951
  209    HD3  ARG  26           HD1      ARG  26 -12.249   5.548  -3.624
  210    HE   ARG  26           HE       ARG  26 -14.736   7.048  -3.105
  211   HH11  ARG  26          HH11      ARG  26 -12.731   5.105  -5.228
  212   HH12  ARG  26          HH12      ARG  26 -13.918   5.045  -6.490
  213   HH21  ARG  26          HH21      ARG  26 -16.289   6.954  -4.746
  214   HH22  ARG  26          HH22      ARG  26 -15.948   6.096  -6.215
  215    H    LEU  27           H        LEU  27 -13.866   3.613   0.038
  216    HA   LEU  27           HA       LEU  27 -16.585   2.989  -0.512
  217    HB2  LEU  27           HB3      LEU  27 -14.275   1.140   0.036
  218    HB3  LEU  27           HB2      LEU  27 -15.820   0.693  -0.651
  219    HG   LEU  27           HG       LEU  27 -14.094   2.707  -2.001
  220   HD11  LEU  27          HD11      LEU  27 -13.131   0.933  -3.324
  221   HD12  LEU  27          HD12      LEU  27 -14.010  -0.269  -2.375
  222   HD13  LEU  27          HD13      LEU  27 -12.754   0.711  -1.614
  223   HD21  LEU  27          HD21      LEU  27 -16.361   2.590  -2.781
  224   HD22  LEU  27          HD22      LEU  27 -16.273   0.831  -2.879
  225   HD23  LEU  27          HD23      LEU  27 -15.316   1.826  -3.981
  226    H    LYS  28           H        LYS  28 -14.488   2.444   2.274
  227    HA   LYS  28           HA       LYS  28 -16.017   0.764   3.793
  228    HB2  LYS  28           HB3      LYS  28 -13.739   1.713   4.333
  229    HB3  LYS  28           HB2      LYS  28 -14.562   3.147   4.930
  230    HG2  LYS  28           HG3      LYS  28 -13.975   1.671   6.757
  231    HG3  LYS  28           HG2      LYS  28 -15.729   1.783   6.592
  232    HD2  LYS  28           HD3      LYS  28 -15.806  -0.353   5.475
  233    HD3  LYS  28           HD2      LYS  28 -14.044  -0.446   5.453
  234    HE2  LYS  28           HE3      LYS  28 -14.948  -1.845   7.216
  235    HE3  LYS  28           HE2      LYS  28 -14.026  -0.510   7.901
  236    HZ1  LYS  28           HZ1      LYS  28 -16.083   0.644   8.370
  237    HZ2  LYS  28           HZ2      LYS  28 -16.107  -0.890   9.081
  238    HZ3  LYS  28           HZ3      LYS  28 -16.986  -0.601   7.666
  239    H    LYS  29           H        LYS  29 -16.341   4.318   3.653
  240    HA   LYS  29           HA       LYS  29 -18.526   4.307   5.495
  241    HB2  LYS  29           HB3      LYS  29 -18.701   6.693   4.966
  242    HB3  LYS  29           HB2      LYS  29 -17.065   6.231   5.396
  243    HG2  LYS  29           HG3      LYS  29 -16.441   6.231   3.042
  244    HG3  LYS  29           HG2      LYS  29 -18.094   6.667   2.600
  245    HD2  LYS  29           HD3      LYS  29 -17.876   8.754   3.861
  246    HD3  LYS  29           HD2      LYS  29 -16.225   8.316   4.301
  247    HE2  LYS  29           HE3      LYS  29 -15.608   8.302   1.928
  248    HE3  LYS  29           HE2      LYS  29 -17.254   8.767   1.503
  249    HZ1  LYS  29           HZ1      LYS  29 -16.961  10.830   2.672
  250    HZ2  LYS  29           HZ2      LYS  29 -15.715  10.651   1.545
  251    HZ3  LYS  29           HZ3      LYS  29 -15.417  10.375   3.185
  252    H    LEU  30           H        LEU  30 -18.219   4.045   2.045
  253    HA   LEU  30           HA       LEU  30 -20.937   4.752   1.466
  254    HB2  LEU  30           HB3      LEU  30 -18.625   3.736  -0.056
  255    HB3  LEU  30           HB2      LEU  30 -20.197   3.279  -0.680
  256    HG   LEU  30           HG       LEU  30 -20.833   5.629  -0.873
  257   HD11  LEU  30          HD11      LEU  30 -18.058   6.225   0.129
  258   HD12  LEU  30          HD12      LEU  30 -19.564   6.540   0.988
  259   HD13  LEU  30          HD13      LEU  30 -19.202   7.406  -0.504
  260   HD21  LEU  30          HD21      LEU  30 -19.248   6.275  -2.647
  261   HD22  LEU  30          HD22      LEU  30 -19.778   4.600  -2.780
  262   HD23  LEU  30          HD23      LEU  30 -18.178   4.969  -2.136
  263    H    VAL  31           H        VAL  31 -19.218   1.782   2.192
  264    HA   VAL  31           HA       VAL  31 -21.520   0.109   1.738
  265    HB   VAL  31           HB       VAL  31 -19.025  -0.529   3.337
  266   HG11  VAL  31          HG11      VAL  31 -20.951  -2.009   3.775
  267   HG12  VAL  31          HG12      VAL  31 -19.611  -2.847   2.995
  268   HG13  VAL  31          HG13      VAL  31 -21.027  -2.383   2.053
  269   HG21  VAL  31          HG21      VAL  31 -18.435   0.080   1.064
  270   HG22  VAL  31          HG22      VAL  31 -19.639  -1.043   0.431
  271   HG23  VAL  31          HG23      VAL  31 -18.235  -1.655   1.305
  272    H    GLY  32           H        GLY  32 -20.255   2.047   4.292
  273    HA2  GLY  32           HA3      GLY  32 -21.802   0.813   6.384
  274    HA3  GLY  32           HA2      GLY  32 -20.883   2.307   6.505
  275    H    GLU  33           H        GLU  33 -21.928   3.977   4.745
  276    HA   GLU  33           HA       GLU  33 -24.762   4.144   5.525
  277    HB2  GLU  33           HB3      GLU  33 -22.857   6.387   4.833
  278    HB3  GLU  33           HB2      GLU  33 -24.540   6.577   5.300
  279    HG2  GLU  33           HG3      GLU  33 -24.013   5.591   7.496
  280    HG3  GLU  33           HG2      GLU  33 -22.317   5.501   7.019
  281    H1   GLY   1           H1       GLY   1  26.656  -2.060   0.814
  282    H2   GLY   1           H2       GLY   1  25.763  -2.062  -0.618
  283    H3   GLY   1           H3       GLY   1  27.219  -2.914  -0.531
  284    HA2  GLY   1           HA2      GLY   1  25.368  -4.432  -0.400
  285    HA3  GLY   1           HA3      GLY   1  26.283  -4.420   1.102
  286    H    SER   2           H        SER   2  24.190  -5.371   1.833
  287    HA   SER   2           HA       SER   2  22.448  -5.175   3.313
  288    HB2  SER   2           HB3      SER   2  22.876  -2.185   3.093
  289    HB3  SER   2           HB2      SER   2  21.887  -3.007   4.300
  290    HG   SER   2           HG       SER   2  24.223  -4.162   4.425
  291    H    MET   3           H        MET   3  22.391  -4.754   0.257
  292    HA   MET   3           HA       MET   3  20.106  -3.201  -0.349
  293    HB2  MET   3           HB3      MET   3  21.635  -5.313  -1.843
  294    HB3  MET   3           HB2      MET   3  20.189  -4.578  -2.521
  295    HG2  MET   3           HG3      MET   3  22.654  -3.083  -1.660
  296    HG3  MET   3           HG2      MET   3  22.261  -3.533  -3.319
  297    HE1  MET   3           HE1      MET   3  21.698   0.358  -3.259
  298    HE2  MET   3           HE2      MET   3  22.570  -0.973  -4.020
  299    HE3  MET   3           HE3      MET   3  22.915  -0.535  -2.347
  300    H    LYS   4           H        LYS   4  20.557  -6.531   0.587
  301    HA   LYS   4           HA       LYS   4  18.152  -7.639  -0.268
  302    HB2  LYS   4           HB3      LYS   4  19.989  -8.968   0.675
  303    HB3  LYS   4           HB2      LYS   4  19.697  -8.260   2.257
  304    HG2  LYS   4           HG3      LYS   4  17.459  -9.274   2.282
  305    HG3  LYS   4           HG2      LYS   4  17.797 -10.020   0.720
  306    HD2  LYS   4           HD3      LYS   4  19.364 -10.495   3.256
  307    HD3  LYS   4           HD2      LYS   4  18.130 -11.575   2.606
  308    HE2  LYS   4           HE3      LYS   4  20.703 -10.798   1.235
  309    HE3  LYS   4           HE2      LYS   4  20.385 -12.334   2.037
  310    HZ1  LYS   4           HZ1      LYS   4  18.634 -12.768   0.437
  311    HZ2  LYS   4           HZ2      LYS   4  20.102 -12.504  -0.353
  312    HZ3  LYS   4           HZ3      LYS   4  18.928 -11.291  -0.330
  313    H    GLN   5           H        GLN   5  18.903  -6.057   2.820
  314    HA   GLN   5           HA       GLN   5  16.321  -6.415   3.916
  315    HB2  GLN   5           HB3      GLN   5  18.546  -4.512   4.658
  316    HB3  GLN   5           HB2      GLN   5  17.057  -4.669   5.577
  317    HG2  GLN   5           HG3      GLN   5  18.665  -5.979   6.688
  318    HG3  GLN   5           HG2      GLN   5  17.602  -7.105   5.852
  319   HE21  GLN   5          HE21      GLN   5  20.137  -5.209   4.334
  320   HE22  GLN   5          HE22      GLN   5  21.148  -6.553   3.920
  321    H    LEU   6           H        LEU   6  17.788  -3.838   2.027
  322    HA   LEU   6           HA       LEU   6  15.669  -1.977   2.392
  323    HB2  LEU   6           HB3      LEU   6  17.987  -2.212   0.538
  324    HB3  LEU   6           HB2      LEU   6  16.690  -1.122   0.093
  325    HG   LEU   6           HG       LEU   6  18.500   0.064   1.228
  326   HD11  LEU   6          HD11      LEU   6  16.013  -0.093   2.922
  327   HD12  LEU   6          HD12      LEU   6  16.202   0.873   1.458
  328   HD13  LEU   6          HD13      LEU   6  17.174   1.233   2.884
  329   HD21  LEU   6          HD21      LEU   6  19.340  -1.748   2.623
  330   HD22  LEU   6          HD22      LEU   6  17.865  -1.703   3.588
  331   HD23  LEU   6          HD23      LEU   6  18.965  -0.324   3.596
  332    H    GLU   7           H        GLU   7  16.399  -4.362  -0.129
  333    HA   GLU   7           HA       GLU   7  14.154  -3.753  -1.744
  334    HB2  GLU   7           HB3      GLU   7  15.797  -6.277  -1.517
  335    HB3  GLU   7           HB2      GLU   7  14.566  -6.010  -2.745
  336    HG2  GLU   7           HG3      GLU   7  15.812  -4.121  -3.617
  337    HG3  GLU   7           HG2      GLU   7  17.031  -4.326  -2.359
  338    H    ASP   8           H        ASP   8  14.675  -6.058   0.885
  339    HA   ASP   8           HA       ASP   8  12.128  -7.287   0.729
  340    HB2  ASP   8           HB3      ASP   8  14.243  -7.126   2.838
  341    HB3  ASP   8           HB2      ASP   8  12.649  -7.738   3.269
  342    H    LYS   9           H        LYS   9  13.238  -4.312   2.121
  343    HA   LYS   9           HA       LYS   9  10.983  -3.820   3.783
  344    HB2  LYS   9           HB3      LYS   9  13.263  -2.687   3.885
  345    HB3  LYS   9           HB2      LYS   9  12.752  -1.738   2.499
  346    HG2  LYS   9           HG3      LYS   9  10.968  -0.748   3.763
  347    HG3  LYS   9           HG2      LYS   9  11.308  -1.802   5.139
  348    HD2  LYS   9           HD3      LYS   9  13.594  -0.792   5.243
  349    HD3  LYS   9           HD2      LYS   9  13.080   0.359   4.009
  350    HE2  LYS   9           HE3      LYS   9  11.782  -0.001   6.707
  351    HE3  LYS   9           HE2      LYS   9  12.930   1.270   6.295
  352    HZ1  LYS   9           HZ1      LYS   9  10.653   2.054   6.169
  353    HZ2  LYS   9           HZ2      LYS   9  10.276   0.869   5.029
  354    HZ3  LYS   9           HZ3      LYS   9  11.378   2.093   4.644
  355    H    VAL  10           H        VAL  10  11.818  -3.064   0.447
  356    HA   VAL  10           HA       VAL  10   9.476  -1.592  -0.185
  357    HB   VAL  10           HB       VAL  10  11.168  -3.267  -2.058
  358   HG11  VAL  10          HG11      VAL  10   9.319  -0.947  -2.599
  359   HG12  VAL  10          HG12      VAL  10   9.025  -2.635  -3.017
  360   HG13  VAL  10          HG13      VAL  10  10.338  -1.750  -3.794
  361   HG21  VAL  10          HG21      VAL  10  11.449  -0.354  -1.330
  362   HG22  VAL  10          HG22      VAL  10  12.398  -1.218  -2.538
  363   HG23  VAL  10          HG23      VAL  10  12.535  -1.651  -0.834
  364    H    GLU  11           H        GLU  11  10.346  -5.021  -0.477
  365    HA   GLU  11           HA       GLU  11   7.920  -5.868  -1.644
  366    HB2  GLU  11           HB3      GLU  11   9.849  -7.440   0.073
  367    HB3  GLU  11           HB2      GLU  11   8.595  -8.130  -0.947
  368    HG2  GLU  11           HG3      GLU  11  10.962  -6.529  -1.889
  369    HG3  GLU  11           HG2      GLU  11  10.776  -8.278  -2.002
  370    H    GLU  12           H        GLU  12   8.957  -5.491   1.697
  371    HA   GLU  12           HA       GLU  12   6.733  -6.527   3.005
  372    HB2  GLU  12           HB3      GLU  12   8.753  -5.779   4.178
  373    HB3  GLU  12           HB2      GLU  12   8.387  -4.111   3.764
  374    HG2  GLU  12           HG3      GLU  12   6.333  -4.243   5.092
  375    HG3  GLU  12           HG2      GLU  12   6.730  -5.905   5.522
  376    H    LEU  13           H        LEU  13   7.267  -3.118   2.011
  377    HA   LEU  13           HA       LEU  13   4.608  -2.370   2.598
  378    HB2  LEU  13           HB3      LEU  13   6.896  -1.088   1.238
  379    HB3  LEU  13           HB2      LEU  13   5.303  -0.439   0.897
  380    HG   LEU  13           HG       LEU  13   5.009  -0.376   3.454
  381   HD11  LEU  13          HD11      LEU  13   6.949  -1.699   4.047
  382   HD12  LEU  13          HD12      LEU  13   7.091  -0.070   4.708
  383   HD13  LEU  13          HD13      LEU  13   8.015  -0.524   3.276
  384   HD21  LEU  13          HD21      LEU  13   5.152   1.606   2.070
  385   HD22  LEU  13          HD22      LEU  13   6.912   1.495   2.048
  386   HD23  LEU  13          HD23      LEU  13   6.070   1.839   3.558
  387    H    LEU  14           H        LEU  14   5.937  -3.976  -0.166
  388    HA   LEU  14           HA       LEU  14   3.757  -3.346  -1.879
  389    HB2  LEU  14           HB3      LEU  14   6.024  -4.387  -2.546
  390    HB3  LEU  14           HB2      LEU  14   5.309  -5.910  -2.022
  391    HG   LEU  14           HG       LEU  14   3.726  -4.274  -3.939
  392   HD11  LEU  14          HD11      LEU  14   6.090  -5.884  -4.893
  393   HD12  LEU  14          HD12      LEU  14   6.019  -4.121  -4.845
  394   HD13  LEU  14          HD13      LEU  14   4.908  -5.020  -5.874
  395   HD21  LEU  14          HD21      LEU  14   2.893  -6.398  -3.089
  396   HD22  LEU  14          HD22      LEU  14   4.307  -7.221  -3.749
  397   HD23  LEU  14          HD23      LEU  14   3.147  -6.450  -4.832
  398    H    SER  15           H        SER  15   4.458  -5.913   0.427
  399    HA   SER  15           HA       SER  15   2.030  -7.317   0.106
  400    HB2  SER  15           HB3      SER  15   4.024  -8.219   1.294
  401    HB3  SER  15           HB2      SER  15   3.741  -7.065   2.594
  402    HG   SER  15           HG       SER  15   2.856  -9.137   3.034
  403    H    LYS  16           H        LYS  16   3.016  -4.557   2.062
  404    HA   LYS  16           HA       LYS  16   0.739  -4.196   3.609
  405    HB2  LYS  16           HB3      LYS  16   2.834  -2.920   3.869
  406    HB3  LYS  16           HB2      LYS  16   2.504  -2.078   2.363
  407    HG2  LYS  16           HG3      LYS  16   0.499  -1.088   3.361
  408    HG3  LYS  16           HG2      LYS  16   0.852  -1.922   4.878
  409    HD2  LYS  16           HD3      LYS  16   2.981  -0.728   5.043
  410    HD3  LYS  16           HD2      LYS  16   2.644   0.094   3.519
  411    HE2  LYS  16           HE3      LYS  16   2.125   1.576   5.349
  412    HE3  LYS  16           HE2      LYS  16   0.630   1.093   4.549
  413    HZ1  LYS  16           HZ1      LYS  16   1.689  -0.073   7.066
  414    HZ2  LYS  16           HZ2      LYS  16   0.250  -0.522   6.303
  415    HZ3  LYS  16           HZ3      LYS  16   0.412   1.031   6.952
  416    H    ASN  17           H        ASN  17   1.402  -2.949   0.310
  417    HA   ASN  17           HA       ASN  17  -1.237  -1.790   0.193
  418    HB2  ASN  17           HB3      ASN  17  -0.667  -0.874  -1.907
  419    HB3  ASN  17           HB2      ASN  17   0.801  -0.782  -0.946
  420   HD21  ASN  17          HD21      ASN  17   2.589  -1.831  -1.602
  421   HD22  ASN  17          HD22      ASN  17   2.688  -2.733  -3.076
  422    H    TYR  18           H        TYR  18   0.342  -4.687  -1.064
  423    HA   TYR  18           HA       TYR  18  -1.603  -5.552  -2.836
  424    HB2  TYR  18           HB3      TYR  18   0.507  -6.724  -2.609
  425    HB3  TYR  18           HB2      TYR  18   0.109  -7.193  -0.959
  426    HD1  TYR  18           HD1      TYR  18  -1.158  -7.553  -4.453
  427    HD2  TYR  18           HD2      TYR  18  -0.842  -9.274  -0.574
  428    HE1  TYR  18           HE1      TYR  18  -2.185  -9.622  -5.293
  429    HE2  TYR  18           HE2      TYR  18  -1.867 -11.345  -1.407
  430    HH   TYR  18           HH       TYR  18  -2.297 -11.988  -4.728
  431    H    HIS  19           H        HIS  19  -1.414  -6.229   0.664
  432    HA   HIS  19           HA       HIS  19  -3.905  -7.609   0.730
  433    HB2  HIS  19           HB3      HIS  19  -2.221  -6.371   2.909
  434    HB3  HIS  19           HB2      HIS  19  -3.721  -7.233   3.234
  435    HD1  HIS  19           HD1      HIS  19  -0.190  -7.773   3.044
  436    HD2  HIS  19           HD2      HIS  19  -3.570 -10.014   2.124
  437    HE1  HIS  19           HE1      HIS  19   0.585 -10.158   2.952
  438    HE2  HIS  19           HE2      HIS  19  -1.437 -11.471   2.225
  439    H    LEU  20           H        LEU  20  -2.962  -4.276   1.039
  440    HA   LEU  20           HA       LEU  20  -5.395  -3.312   2.118
  441    HB2  LEU  20           HB3      LEU  20  -3.188  -2.168   2.222
  442    HB3  LEU  20           HB2      LEU  20  -3.291  -1.882   0.498
  443    HG   LEU  20           HG       LEU  20  -5.277  -0.504   0.853
  444   HD11  LEU  20          HD11      LEU  20  -6.140  -1.517   2.881
  445   HD12  LEU  20          HD12      LEU  20  -5.861   0.205   3.136
  446   HD13  LEU  20          HD13      LEU  20  -4.721  -0.978   3.777
  447   HD21  LEU  20          HD21      LEU  20  -2.889   0.291   2.506
  448   HD22  LEU  20          HD22      LEU  20  -4.112   1.388   1.867
  449   HD23  LEU  20          HD23      LEU  20  -3.060   0.503   0.765
  450    H    GLU  21           H        GLU  21  -4.168  -3.957  -1.091
  451    HA   GLU  21           HA       GLU  21  -6.241  -2.731  -2.573
  452    HB2  GLU  21           HB3      GLU  21  -4.098  -3.486  -3.551
  453    HB3  GLU  21           HB2      GLU  21  -4.573  -5.155  -3.278
  454    HG2  GLU  21           HG3      GLU  21  -6.461  -4.860  -4.805
  455    HG3  GLU  21           HG2      GLU  21  -5.957  -3.195  -5.092
  456    H    ASN  22           H        ASN  22  -5.915  -5.901  -1.064
  457    HA   ASN  22           HA       ASN  22  -8.268  -7.065  -2.060
  458    HB2  ASN  22           HB3      ASN  22  -6.777  -7.503   0.525
  459    HB3  ASN  22           HB2      ASN  22  -8.202  -8.436   0.083
  460   HD21  ASN  22          HD21      ASN  22  -8.096  -9.806  -1.731
  461   HD22  ASN  22          HD22      ASN  22  -6.581 -10.385  -2.325
  462    H    GLU  23           H        GLU  23  -7.672  -4.728   0.414
  463    HA   GLU  23           HA       GLU  23 -10.206  -4.885   1.710
  464    HB2  GLU  23           HB3      GLU  23  -8.207  -2.610   1.644
  465    HB3  GLU  23           HB2      GLU  23  -9.563  -2.771   2.780
  466    HG2  GLU  23           HG3      GLU  23  -7.254  -4.699   2.562
  467    HG3  GLU  23           HG2      GLU  23  -7.367  -3.389   3.735
  468    H    VAL  24           H        VAL  24  -8.852  -2.907  -0.887
  469    HA   VAL  24           HA       VAL  24 -11.123  -1.217  -1.150
  470    HB   VAL  24           HB       VAL  24  -9.173  -1.867  -3.366
  471   HG11  VAL  24          HG11      VAL  24 -10.832   0.600  -2.807
  472   HG12  VAL  24          HG12      VAL  24 -11.164  -0.620  -4.040
  473   HG13  VAL  24          HG13      VAL  24  -9.718   0.381  -4.160
  474   HG21  VAL  24          HG21      VAL  24  -7.819   0.012  -2.616
  475   HG22  VAL  24          HG22      VAL  24  -7.911  -1.231  -1.369
  476   HG23  VAL  24          HG23      VAL  24  -8.880   0.234  -1.227
  477    H    ALA  25           H        ALA  25 -10.109  -4.247  -2.618
  478    HA   ALA  25           HA       ALA  25 -12.013  -4.298  -4.696
  479    HB1  ALA  25           HB1      ALA  25 -11.410  -6.570  -5.035
  480    HB2  ALA  25           HB2      ALA  25 -10.783  -6.708  -3.397
  481    HB3  ALA  25           HB3      ALA  25  -9.949  -5.695  -4.576
  482    H    ARG  26           H        ARG  26 -12.148  -5.577  -1.384
  483    HA   ARG  26           HA       ARG  26 -14.558  -6.979  -1.765
  484    HB2  ARG  26           HB3      ARG  26 -14.727  -6.872   0.742
  485    HB3  ARG  26           HB2      ARG  26 -13.297  -7.646   0.101
  486    HG2  ARG  26           HG3      ARG  26 -11.973  -5.705   0.630
  487    HG3  ARG  26           HG2      ARG  26 -13.406  -4.814   1.149
  488    HD2  ARG  26           HD2      ARG  26 -12.242  -7.282   2.423
  489    HD3  ARG  26           HD1      ARG  26 -12.255  -5.650   3.086
  490    HE   ARG  26           HE       ARG  26 -14.738  -7.160   2.580
  491   HH11  ARG  26          HH11      ARG  26 -12.727  -5.212   4.692
  492   HH12  ARG  26          HH12      ARG  26 -13.907  -5.157   5.959
  493   HH21  ARG  26          HH21      ARG  26 -16.284  -7.061   4.231
  494   HH22  ARG  26          HH22      ARG  26 -15.931  -6.201   5.696
  495    H    LEU  27           H        LEU  27 -13.881  -3.730  -0.571
  496    HA   LEU  27           HA       LEU  27 -16.593  -3.100  -0.015
  497    HB2  LEU  27           HB3      LEU  27 -14.282  -1.256  -0.576
  498    HB3  LEU  27           HB2      LEU  27 -15.823  -0.803   0.119
  499    HG   LEU  27           HG       LEU  27 -14.094  -2.822   1.463
  500   HD11  LEU  27          HD11      LEU  27 -13.119  -1.047   2.779
  501   HD12  LEU  27          HD12      LEU  27 -14.000   0.154   1.834
  502   HD13  LEU  27          HD13      LEU  27 -12.751  -0.828   1.068
  503   HD21  LEU  27          HD21      LEU  27 -16.356  -2.700   2.253
  504   HD22  LEU  27          HD22      LEU  27 -16.267  -0.942   2.347
  505   HD23  LEU  27          HD23      LEU  27 -15.306  -1.934   3.448
  506    H    LYS  28           H        LYS  28 -14.510  -2.566  -2.810
  507    HA   LYS  28           HA       LYS  28 -16.039  -0.887  -4.331
  508    HB2  LYS  28           HB3      LYS  28 -13.764  -1.844  -4.874
  509    HB3  LYS  28           HB2      LYS  28 -14.590  -3.279  -5.463
  510    HG2  LYS  28           HG3      LYS  28 -14.011  -1.811  -7.298
  511    HG3  LYS  28           HG2      LYS  28 -15.763  -1.915  -7.124
  512    HD2  LYS  28           HD3      LYS  28 -15.830   0.225  -6.016
  513    HD3  LYS  28           HD2      LYS  28 -14.069   0.313  -5.997
  514    HE2  LYS  28           HE3      LYS  28 -14.970   1.711  -7.763
  515    HE3  LYS  28           HE2      LYS  28 -14.055   0.371  -8.448
  516    HZ1  LYS  28           HZ1      LYS  28 -16.114  -0.772  -8.915
  517    HZ2  LYS  28           HZ2      LYS  28 -16.142   0.763  -9.621
  518    HZ3  LYS  28           HZ3      LYS  28 -17.012   0.471  -8.205
  519    H    LYS  29           H        LYS  29 -16.369  -4.439  -4.180
  520    HA   LYS  29           HA       LYS  29 -18.565  -4.428  -6.008
  521    HB2  LYS  29           HB3      LYS  29 -18.742  -6.810  -5.470
  522    HB3  LYS  29           HB2      LYS  29 -17.108  -6.353  -5.912
  523    HG2  LYS  29           HG3      LYS  29 -16.470  -6.348  -3.562
  524    HG3  LYS  29           HG2      LYS  29 -18.120  -6.778  -3.108
  525    HD2  LYS  29           HD3      LYS  29 -17.920  -8.866  -4.366
  526    HD3  LYS  29           HD2      LYS  29 -16.271  -8.434  -4.818
  527    HE2  LYS  29           HE3      LYS  29 -15.640  -8.423  -2.448
  528    HE3  LYS  29           HE2      LYS  29 -17.283  -8.885  -2.013
  529    HZ1  LYS  29           HZ1      LYS  29 -17.006 -10.947  -3.195
  530    HZ2  LYS  29           HZ2      LYS  29 -15.753 -10.776  -2.074
  531    HZ3  LYS  29           HZ3      LYS  29 -15.460 -10.497  -3.714
  532    H    LEU  30           H        LEU  30 -18.240  -4.156  -2.562
  533    HA   LEU  30           HA       LEU  30 -20.956  -4.857  -1.970
  534    HB2  LEU  30           HB3      LEU  30 -18.636  -3.846  -0.459
  535    HB3  LEU  30           HB2      LEU  30 -20.204  -3.381   0.170
  536    HG   LEU  30           HG       LEU  30 -20.848  -5.729   0.373
  537   HD11  LEU  30          HD11      LEU  30 -18.078  -6.338  -0.640
  538   HD12  LEU  30          HD12      LEU  30 -19.589  -6.650  -1.492
  539   HD13  LEU  30          HD13      LEU  30 -19.225  -7.514   0.001
  540   HD21  LEU  30          HD21      LEU  30 -19.254  -6.377   2.136
  541   HD22  LEU  30          HD22      LEU  30 -19.779  -4.700   2.270
  542   HD23  LEU  30          HD23      LEU  30 -18.185  -5.075   1.616
  543    H    VAL  31           H        VAL  31 -19.238  -1.891  -2.708
  544    HA   VAL  31           HA       VAL  31 -21.535  -0.213  -2.248
  545    HB   VAL  31           HB       VAL  31 -19.044   0.417  -3.858
  546   HG11  VAL  31          HG11      VAL  31 -20.971   1.904  -4.285
  547   HG12  VAL  31          HG12      VAL  31 -19.623   2.736  -3.512
  548   HG13  VAL  31          HG13      VAL  31 -21.035   2.277  -2.560
  549   HG21  VAL  31          HG21      VAL  31 -18.445  -0.192  -1.588
  550   HG22  VAL  31          HG22      VAL  31 -19.641   0.936  -0.949
  551   HG23  VAL  31          HG23      VAL  31 -18.240   1.543  -1.832
  552    H    GLY  32           H        GLY  32 -20.281  -2.159  -4.802
  553    HA2  GLY  32           HA3      GLY  32 -21.830  -0.930  -6.899
  554    HA3  GLY  32           HA2      GLY  32 -20.917  -2.428  -7.013
  555    H    GLU  33           H        GLU  33 -21.957  -4.086  -5.253
  556    HA   GLU  33           HA       GLU  33 -24.801  -4.240  -6.006
  557    HB2  GLU  33           HB3      GLU  33 -22.902  -6.494  -5.329
  558    HB3  GLU  33           HB2      GLU  33 -24.588  -6.674  -5.787
  559    HG2  GLU  33           HG3      GLU  33 -24.067  -5.703  -7.986
  560    HG3  GLU  33           HG2      GLU  33 -22.370  -5.609  -7.518
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  23.098   8.415  -5.086
    2    H2   GLY   1           H2       GLY   1  24.251   7.204  -5.316
    3    H3   GLY   1           H3       GLY   1  24.631   8.564  -4.392
    4    HA2  GLY   1           HA2      GLY   1  24.221   6.671  -2.966
    5    HA3  GLY   1           HA3      GLY   1  23.026   7.937  -2.718
    6    H    SER   2           H        SER   2  23.545   4.669  -3.528
    7    HA   SER   2           HA       SER   2  21.038   4.254  -4.879
    8    HB2  SER   2           HB3      SER   2  22.881   2.195  -3.638
    9    HB3  SER   2           HB2      SER   2  21.615   1.896  -4.828
   10    HG   SER   2           HG       SER   2  22.987   3.611  -6.045
   11    H    MET   3           H        MET   3  22.326   3.841  -1.640
   12    HA   MET   3           HA       MET   3  20.127   2.508  -0.500
   13    HB2  MET   3           HB3      MET   3  22.283   2.587   0.608
   14    HB3  MET   3           HB2      MET   3  22.189   4.334   0.741
   15    HG2  MET   3           HG3      MET   3  21.714   3.255   2.865
   16    HG3  MET   3           HG2      MET   3  20.308   4.135   2.269
   17    HE1  MET   3           HE1      MET   3  21.599   0.623   0.977
   18    HE2  MET   3           HE2      MET   3  20.729  -0.460   2.065
   19    HE3  MET   3           HE3      MET   3  21.974   0.614   2.700
   20    H    LYS   4           H        LYS   4  20.840   5.918  -0.992
   21    HA   LYS   4           HA       LYS   4  18.662   6.972   0.462
   22    HB2  LYS   4           HB3      LYS   4  20.216   8.060  -1.885
   23    HB3  LYS   4           HB2      LYS   4  18.938   8.965  -1.090
   24    HG2  LYS   4           HG3      LYS   4  20.189   8.883   1.010
   25    HG3  LYS   4           HG2      LYS   4  21.472   7.986   0.209
   26    HD2  LYS   4           HD3      LYS   4  22.107  10.299   0.334
   27    HD3  LYS   4           HD2      LYS   4  21.769   9.892  -1.349
   28    HE2  LYS   4           HE3      LYS   4  20.817  12.054  -0.786
   29    HE3  LYS   4           HE2      LYS   4  19.541  10.892  -1.134
   30    HZ1  LYS   4           HZ1      LYS   4  19.196  10.609   1.237
   31    HZ2  LYS   4           HZ2      LYS   4  19.037  12.237   0.816
   32    HZ3  LYS   4           HZ3      LYS   4  20.444  11.696   1.579
   33    H    GLN   5           H        GLN   5  19.013   5.942  -2.894
   34    HA   GLN   5           HA       GLN   5  16.460   6.752  -3.769
   35    HB2  GLN   5           HB3      GLN   5  18.320   4.615  -4.805
   36    HB3  GLN   5           HB2      GLN   5  16.833   5.089  -5.615
   37    HG2  GLN   5           HG3      GLN   5  17.693   7.378  -5.822
   38    HG3  GLN   5           HG2      GLN   5  19.197   6.864  -5.059
   39   HE21  GLN   5          HE21      GLN   5  20.409   7.418  -6.860
   40   HE22  GLN   5          HE22      GLN   5  20.376   6.485  -8.317
   41    H    LEU   6           H        LEU   6  17.619   3.775  -2.277
   42    HA   LEU   6           HA       LEU   6  15.199   2.330  -2.617
   43    HB2  LEU   6           HB3      LEU   6  17.671   1.990  -1.015
   44    HB3  LEU   6           HB2      LEU   6  16.249   1.134  -0.459
   45    HG   LEU   6           HG       LEU   6  17.651  -0.289  -1.863
   46   HD11  LEU   6          HD11      LEU   6  15.218  -0.621  -1.844
   47   HD12  LEU   6          HD12      LEU   6  15.945  -1.082  -3.380
   48   HD13  LEU   6          HD13      LEU   6  15.073   0.442  -3.242
   49   HD21  LEU   6          HD21      LEU   6  18.658   1.428  -3.267
   50   HD22  LEU   6          HD22      LEU   6  17.100   1.723  -4.040
   51   HD23  LEU   6          HD23      LEU   6  17.908   0.168  -4.248
   52    H    GLU   7           H        GLU   7  16.484   4.312   0.027
   53    HA   GLU   7           HA       GLU   7  14.377   3.943   1.827
   54    HB2  GLU   7           HB3      GLU   7  16.655   5.054   2.207
   55    HB3  GLU   7           HB2      GLU   7  15.931   6.508   1.534
   56    HG2  GLU   7           HG3      GLU   7  14.228   6.472   3.277
   57    HG3  GLU   7           HG2      GLU   7  14.954   5.010   3.940
   58    H    ASP   8           H        ASP   8  14.775   6.137  -0.893
   59    HA   ASP   8           HA       ASP   8  12.333   7.562  -0.367
   60    HB2  ASP   8           HB3      ASP   8  14.303   7.542  -2.628
   61    HB3  ASP   8           HB2      ASP   8  12.731   8.304  -2.841
   62    H    LYS   9           H        LYS   9  13.282   4.761  -2.211
   63    HA   LYS   9           HA       LYS   9  10.942   4.627  -3.822
   64    HB2  LYS   9           HB3      LYS   9  13.125   3.486  -4.335
   65    HB3  LYS   9           HB2      LYS   9  12.762   2.341  -3.049
   66    HG2  LYS   9           HG3      LYS   9  10.697   1.710  -4.254
   67    HG3  LYS   9           HG2      LYS   9  11.175   2.781  -5.568
   68    HD2  LYS   9           HD3      LYS   9  13.202   1.481  -5.922
   69    HD3  LYS   9           HD2      LYS   9  12.778   0.425  -4.572
   70    HE2  LYS   9           HE3      LYS   9  10.789  -0.318  -5.746
   71    HE3  LYS   9           HE2      LYS   9  11.128   0.794  -7.069
   72    HZ1  LYS   9           HZ1      LYS   9  12.836  -1.497  -6.260
   73    HZ2  LYS   9           HZ2      LYS   9  13.156  -0.432  -7.533
   74    HZ3  LYS   9           HZ3      LYS   9  11.813  -1.455  -7.606
   75    H    VAL  10           H        VAL  10  11.913   3.048  -0.786
   76    HA   VAL  10           HA       VAL  10   9.548   1.520  -0.507
   77    HB   VAL  10           HB       VAL  10  11.596   0.996   0.744
   78   HG11  VAL  10          HG11      VAL  10  10.974   3.458   2.365
   79   HG12  VAL  10          HG12      VAL  10  12.341   3.252   1.269
   80   HG13  VAL  10          HG13      VAL  10  12.224   2.267   2.728
   81   HG21  VAL  10          HG21      VAL  10   9.176   1.561   2.440
   82   HG22  VAL  10          HG22      VAL  10  10.534   0.556   2.939
   83   HG23  VAL  10          HG23      VAL  10   9.542   0.076   1.562
   84    H    GLU  11           H        GLU  11  10.372   4.817   0.374
   85    HA   GLU  11           HA       GLU  11   7.967   5.294   1.868
   86    HB2  GLU  11           HB3      GLU  11  10.256   6.611   1.827
   87    HB3  GLU  11           HB2      GLU  11   9.513   7.474   0.494
   88    HG2  GLU  11           HG3      GLU  11   8.306   7.242   3.240
   89    HG3  GLU  11           HG2      GLU  11   9.298   8.592   2.702
   90    H    GLU  12           H        GLU  12   9.051   5.773  -1.465
   91    HA   GLU  12           HA       GLU  12   6.809   6.998  -2.545
   92    HB2  GLU  12           HB3      GLU  12   9.032   6.427  -3.665
   93    HB3  GLU  12           HB2      GLU  12   8.370   4.825  -3.944
   94    HG2  GLU  12           HG3      GLU  12   6.995   7.311  -4.907
   95    HG3  GLU  12           HG2      GLU  12   8.245   6.506  -5.846
   96    H    LEU  13           H        LEU  13   7.387   3.489  -2.079
   97    HA   LEU  13           HA       LEU  13   4.747   2.827  -2.911
   98    HB2  LEU  13           HB3      LEU  13   6.870   1.243  -1.517
   99    HB3  LEU  13           HB2      LEU  13   5.233   0.630  -1.631
  100    HG   LEU  13           HG       LEU  13   5.426   1.060  -4.143
  101   HD11  LEU  13          HD11      LEU  13   7.698   0.941  -5.049
  102   HD12  LEU  13          HD12      LEU  13   8.351   1.077  -3.416
  103   HD13  LEU  13          HD13      LEU  13   7.436   2.413  -4.117
  104   HD21  LEU  13          HD21      LEU  13   6.501  -1.122  -4.485
  105   HD22  LEU  13          HD22      LEU  13   5.340  -1.153  -3.158
  106   HD23  LEU  13          HD23      LEU  13   7.069  -1.093  -2.816
  107    H    LEU  14           H        LEU  14   5.862   4.195  -0.008
  108    HA   LEU  14           HA       LEU  14   3.715   3.181   1.604
  109    HB2  LEU  14           HB3      LEU  14   5.979   4.175   2.396
  110    HB3  LEU  14           HB2      LEU  14   5.214   5.730   2.144
  111    HG   LEU  14           HG       LEU  14   3.352   4.492   3.692
  112   HD11  LEU  14          HD11      LEU  14   4.707   3.521   5.586
  113   HD12  LEU  14          HD12      LEU  14   6.054   3.424   4.446
  114   HD13  LEU  14          HD13      LEU  14   4.569   2.519   4.144
  115   HD21  LEU  14          HD21      LEU  14   4.245   5.819   5.532
  116   HD22  LEU  14          HD22      LEU  14   4.225   6.733   4.022
  117   HD23  LEU  14          HD23      LEU  14   5.740   6.064   4.630
  118    H    SER  15           H        SER  15   4.371   6.049  -0.344
  119    HA   SER  15           HA       SER  15   1.801   7.197   0.131
  120    HB2  SER  15           HB3      SER  15   2.456   8.471  -2.066
  121    HB3  SER  15           HB2      SER  15   3.328   8.799  -0.569
  122    HG   SER  15           HG       SER  15   4.141   7.282  -2.808
  123    H    LYS  16           H        LYS  16   3.146   4.901  -2.188
  124    HA   LYS  16           HA       LYS  16   0.953   4.551  -3.863
  125    HB2  LYS  16           HB3      LYS  16   3.058   3.362  -4.180
  126    HB3  LYS  16           HB2      LYS  16   2.819   2.483  -2.679
  127    HG2  LYS  16           HG3      LYS  16   0.850   1.383  -3.663
  128    HG3  LYS  16           HG2      LYS  16   1.169   2.224  -5.183
  129    HD2  LYS  16           HD3      LYS  16   3.270   1.106  -5.440
  130    HD3  LYS  16           HD2      LYS  16   3.168   0.427  -3.817
  131    HE2  LYS  16           HE3      LYS  16   2.635  -1.265  -5.474
  132    HE3  LYS  16           HE2      LYS  16   1.214  -0.890  -4.500
  133    HZ1  LYS  16           HZ1      LYS  16   0.367   0.472  -6.278
  134    HZ2  LYS  16           HZ2      LYS  16   0.704  -1.074  -6.868
  135    HZ3  LYS  16           HZ3      LYS  16   1.755   0.205  -7.205
  136    H    ASN  17           H        ASN  17   1.577   3.099  -0.667
  137    HA   ASN  17           HA       ASN  17  -0.879   1.787  -0.356
  138    HB2  ASN  17           HB3      ASN  17   1.161   2.838   1.572
  139    HB3  ASN  17           HB2      ASN  17  -0.382   2.249   2.177
  140   HD21  ASN  17          HD21      ASN  17   2.656   1.406   0.780
  141   HD22  ASN  17          HD22      ASN  17   2.478  -0.308   0.928
  142    H    TYR  18           H        TYR  18   0.127   5.059   0.576
  143    HA   TYR  18           HA       TYR  18  -2.183   5.855   1.887
  144    HB2  TYR  18           HB3      TYR  18  -0.108   7.168   1.882
  145    HB3  TYR  18           HB2      TYR  18  -0.358   7.562   0.185
  146    HD1  TYR  18           HD1      TYR  18  -1.605   9.452  -0.418
  147    HD2  TYR  18           HD2      TYR  18  -1.896   7.945   3.550
  148    HE1  TYR  18           HE1      TYR  18  -2.925  11.423   0.228
  149    HE2  TYR  18           HE2      TYR  18  -3.215   9.913   4.207
  150    HH   TYR  18           HH       TYR  18  -3.564  12.235   3.457
  151    H    HIS  19           H        HIS  19  -1.461   5.976  -1.589
  152    HA   HIS  19           HA       HIS  19  -3.846   7.317  -2.341
  153    HB2  HIS  19           HB3      HIS  19  -2.151   5.410  -3.973
  154    HB3  HIS  19           HB2      HIS  19  -3.380   6.487  -4.620
  155    HD1  HIS  19           HD1      HIS  19  -0.257   6.492  -5.316
  156    HD2  HIS  19           HD2      HIS  19  -2.250   9.131  -2.800
  157    HE1  HIS  19           HE1      HIS  19   1.157   8.569  -5.256
  158    HE2  HIS  19           HE2      HIS  19   0.003  10.099  -3.625
  159    H    LEU  20           H        LEU  20  -2.970   3.923  -2.067
  160    HA   LEU  20           HA       LEU  20  -5.398   2.874  -3.048
  161    HB2  LEU  20           HB3      LEU  20  -3.233   1.690  -2.994
  162    HB3  LEU  20           HB2      LEU  20  -3.308   1.657  -1.245
  163    HG   LEU  20           HG       LEU  20  -5.323   0.257  -1.383
  164   HD11  LEU  20          HD11      LEU  20  -5.900  -0.792  -3.530
  165   HD12  LEU  20          HD12      LEU  20  -4.745   0.264  -4.340
  166   HD13  LEU  20          HD13      LEU  20  -6.164   0.951  -3.550
  167   HD21  LEU  20          HD21      LEU  20  -3.106  -0.734  -1.127
  168   HD22  LEU  20          HD22      LEU  20  -2.934  -0.806  -2.880
  169   HD23  LEU  20          HD23      LEU  20  -4.164  -1.776  -2.073
  170    H    GLU  21           H        GLU  21  -4.208   3.810   0.112
  171    HA   GLU  21           HA       GLU  21  -6.318   2.789   1.682
  172    HB2  GLU  21           HB3      GLU  21  -4.161   3.597   2.594
  173    HB3  GLU  21           HB2      GLU  21  -4.609   5.241   2.165
  174    HG2  GLU  21           HG3      GLU  21  -6.523   5.094   3.697
  175    HG3  GLU  21           HG2      GLU  21  -6.005   3.474   4.158
  176    H    ASN  22           H        ASN  22  -5.910   5.803  -0.098
  177    HA   ASN  22           HA       ASN  22  -8.238   7.109   0.759
  178    HB2  ASN  22           HB3      ASN  22  -6.752   7.247  -1.865
  179    HB3  ASN  22           HB2      ASN  22  -8.130   8.277  -1.489
  180   HD21  ASN  22          HD21      ASN  22  -5.415   9.054  -2.056
  181   HD22  ASN  22          HD22      ASN  22  -4.849   9.916  -0.671
  182    H    GLU  23           H        GLU  23  -7.706   4.544  -1.516
  183    HA   GLU  23           HA       GLU  23 -10.288   4.665  -2.741
  184    HB2  GLU  23           HB3      GLU  23  -8.274   2.403  -2.679
  185    HB3  GLU  23           HB2      GLU  23  -9.689   2.508  -3.748
  186    HG2  GLU  23           HG3      GLU  23  -7.307   4.359  -3.735
  187    HG3  GLU  23           HG2      GLU  23  -7.666   3.114  -4.931
  188    H    VAL  24           H        VAL  24  -8.865   2.914  -0.036
  189    HA   VAL  24           HA       VAL  24 -11.094   1.209   0.417
  190    HB   VAL  24           HB       VAL  24  -9.164   2.182   2.533
  191   HG11  VAL  24          HG11      VAL  24 -11.132   0.999   3.372
  192   HG12  VAL  24          HG12      VAL  24  -9.664   0.054   3.620
  193   HG13  VAL  24          HG13      VAL  24 -10.773  -0.367   2.313
  194   HG21  VAL  24          HG21      VAL  24  -8.840  -0.197   0.713
  195   HG22  VAL  24          HG22      VAL  24  -7.765   0.268   2.030
  196   HG23  VAL  24          HG23      VAL  24  -7.916   1.300   0.610
  197    H    ALA  25           H        ALA  25 -10.187   4.428   1.485
  198    HA   ALA  25           HA       ALA  25 -12.140   4.688   3.515
  199    HB1  ALA  25           HB1      ALA  25 -10.084   6.074   3.322
  200    HB2  ALA  25           HB2      ALA  25 -11.559   6.998   3.597
  201    HB3  ALA  25           HB3      ALA  25 -10.852   6.933   1.985
  202    H    ARG  26           H        ARG  26 -12.171   5.590   0.069
  203    HA   ARG  26           HA       ARG  26 -14.599   7.007   0.176
  204    HB2  ARG  26           HB3      ARG  26 -14.710   6.464  -2.306
  205    HB3  ARG  26           HB2      ARG  26 -13.339   7.403  -1.758
  206    HG2  ARG  26           HG3      ARG  26 -11.913   5.479  -1.904
  207    HG3  ARG  26           HG2      ARG  26 -13.281   4.432  -2.276
  208    HD2  ARG  26           HD2      ARG  26 -12.089   4.935  -4.297
  209    HD3  ARG  26           HD1      ARG  26 -13.667   5.713  -4.340
  210    HE   ARG  26           HE       ARG  26 -11.749   7.518  -3.335
  211   HH11  ARG  26          HH11      ARG  26 -12.685   5.933  -6.313
  212   HH12  ARG  26          HH12      ARG  26 -12.097   7.211  -7.328
  213   HH21  ARG  26          HH21      ARG  26 -10.962   9.203  -4.679
  214   HH22  ARG  26          HH22      ARG  26 -11.120   9.066  -6.404
  215    H    LEU  27           H        LEU  27 -13.888   3.609  -0.452
  216    HA   LEU  27           HA       LEU  27 -16.593   2.898  -0.969
  217    HB2  LEU  27           HB3      LEU  27 -14.286   1.173  -0.104
  218    HB3  LEU  27           HB2      LEU  27 -15.821   0.613  -0.729
  219    HG   LEU  27           HG       LEU  27 -14.101   2.409  -2.364
  220   HD11  LEU  27          HD11      LEU  27 -13.976  -0.589  -2.284
  221   HD12  LEU  27          HD12      LEU  27 -12.747   0.505  -1.647
  222   HD13  LEU  27          HD13      LEU  27 -13.088   0.476  -3.378
  223   HD21  LEU  27          HD21      LEU  27 -15.298   1.176  -4.183
  224   HD22  LEU  27          HD22      LEU  27 -16.340   2.158  -3.153
  225   HD23  LEU  27          HD23      LEU  27 -16.273   0.409  -2.927
  226    H    LYS  28           H        LYS  28 -14.546   2.741   1.915
  227    HA   LYS  28           HA       LYS  28 -16.157   1.359   3.642
  228    HB2  LYS  28           HB3      LYS  28 -13.884   2.226   4.150
  229    HB3  LYS  28           HB2      LYS  28 -14.570   3.832   4.343
  230    HG2  LYS  28           HG3      LYS  28 -14.228   2.832   6.501
  231    HG3  LYS  28           HG2      LYS  28 -15.958   2.991   6.196
  232    HD2  LYS  28           HD3      LYS  28 -16.058   0.630   5.556
  233    HD3  LYS  28           HD2      LYS  28 -14.326   0.474   5.854
  234    HE2  LYS  28           HE3      LYS  28 -14.677   1.047   8.202
  235    HE3  LYS  28           HE2      LYS  28 -16.404   1.226   7.906
  236    HZ1  LYS  28           HZ1      LYS  28 -14.859  -1.288   7.567
  237    HZ2  LYS  28           HZ2      LYS  28 -16.530  -1.107   7.347
  238    HZ3  LYS  28           HZ3      LYS  28 -15.854  -0.920   8.884
  239    H    LYS  29           H        LYS  29 -16.349   4.847   2.929
  240    HA   LYS  29           HA       LYS  29 -18.568   5.227   4.688
  241    HB2  LYS  29           HB3      LYS  29 -18.641   7.490   3.723
  242    HB3  LYS  29           HB2      LYS  29 -17.052   7.055   4.318
  243    HG2  LYS  29           HG3      LYS  29 -16.328   6.589   2.033
  244    HG3  LYS  29           HG2      LYS  29 -17.928   7.031   1.440
  245    HD2  LYS  29           HD3      LYS  29 -16.408   8.888   1.150
  246    HD3  LYS  29           HD2      LYS  29 -17.615   9.295   2.369
  247    HE2  LYS  29           HE3      LYS  29 -16.004   8.751   4.135
  248    HE3  LYS  29           HE2      LYS  29 -14.801   8.354   2.908
  249    HZ1  LYS  29           HZ1      LYS  29 -14.892  10.634   2.133
  250    HZ2  LYS  29           HZ2      LYS  29 -14.490  10.585   3.771
  251    HZ3  LYS  29           HZ3      LYS  29 -16.054  11.016   3.299
  252    H    LEU  30           H        LEU  30 -18.213   4.353   1.351
  253    HA   LEU  30           HA       LEU  30 -20.899   5.030   0.613
  254    HB2  LEU  30           HB3      LEU  30 -18.602   3.706  -0.674
  255    HB3  LEU  30           HB2      LEU  30 -20.178   3.175  -1.226
  256    HG   LEU  30           HG       LEU  30 -20.762   5.429  -1.897
  257   HD11  LEU  30          HD11      LEU  30 -19.601   6.678  -0.159
  258   HD12  LEU  30          HD12      LEU  30 -19.168   7.269  -1.763
  259   HD13  LEU  30          HD13      LEU  30 -18.049   6.240  -0.870
  260   HD21  LEU  30          HD21      LEU  30 -18.031   4.603  -2.866
  261   HD22  LEU  30          HD22      LEU  30 -19.091   5.760  -3.669
  262   HD23  LEU  30          HD23      LEU  30 -19.584   4.077  -3.515
  263    H    VAL  31           H        VAL  31 -19.268   2.159   1.831
  264    HA   VAL  31           HA       VAL  31 -21.596   0.493   1.620
  265    HB   VAL  31           HB       VAL  31 -19.172   0.072   3.394
  266   HG11  VAL  31          HG11      VAL  31 -21.158  -1.264   3.994
  267   HG12  VAL  31          HG12      VAL  31 -19.818  -2.253   3.413
  268   HG13  VAL  31          HG13      VAL  31 -21.187  -1.916   2.354
  269   HG21  VAL  31          HG21      VAL  31 -19.705  -0.910   0.595
  270   HG22  VAL  31          HG22      VAL  31 -18.343  -1.383   1.609
  271   HG23  VAL  31          HG23      VAL  31 -18.499   0.287   1.066
  272    H    GLY  32           H        GLY  32 -20.310   2.736   3.950
  273    HA2  GLY  32           HA3      GLY  32 -22.017   1.843   6.104
  274    HA3  GLY  32           HA2      GLY  32 -20.972   3.257   6.112
  275    H    GLU  33           H        GLU  33 -21.820   4.740   4.061
  276    HA   GLU  33           HA       GLU  33 -23.377   6.188   3.310
  277    HB2  GLU  33           HB3      GLU  33 -24.636   4.119   2.720
  278    HB3  GLU  33           HB2      GLU  33 -25.434   4.197   4.282
  279    HG2  GLU  33           HG3      GLU  33 -26.484   6.277   3.694
  280    HG3  GLU  33           HG2      GLU  33 -25.590   6.340   2.176
  281    H1   GLY   1           H1       GLY   1  23.103  -8.647   4.340
  282    H2   GLY   1           H2       GLY   1  24.265  -7.445   4.593
  283    H3   GLY   1           H3       GLY   1  24.636  -8.794   3.644
  284    HA2  GLY   1           HA2      GLY   1  24.234  -6.865   2.258
  285    HA3  GLY   1           HA3      GLY   1  23.042  -8.127   1.981
  286    H    SER   2           H        SER   2  23.550  -4.878   2.842
  287    HA   SER   2           HA       SER   2  21.049  -4.480   4.205
  288    HB2  SER   2           HB3      SER   2  22.887  -2.412   2.975
  289    HB3  SER   2           HB2      SER   2  21.646  -2.130   4.194
  290    HG   SER   2           HG       SER   2  22.959  -3.787   5.435
  291    H    MET   3           H        MET   3  22.325  -4.027   0.962
  292    HA   MET   3           HA       MET   3  20.123  -2.675  -0.152
  293    HB2  MET   3           HB3      MET   3  22.272  -2.741  -1.272
  294    HB3  MET   3           HB2      MET   3  22.181  -4.487  -1.421
  295    HG2  MET   3           HG3      MET   3  21.698  -3.392  -3.533
  296    HG3  MET   3           HG2      MET   3  20.294  -4.275  -2.942
  297    HE1  MET   3           HE1      MET   3  21.583  -0.784  -1.612
  298    HE2  MET   3           HE2      MET   3  20.716   0.318  -2.680
  299    HE3  MET   3           HE3      MET   3  21.962  -0.744  -3.334
  300    H    LYS   4           H        LYS   4  20.834  -6.093   0.293
  301    HA   LYS   4           HA       LYS   4  18.646  -7.126  -1.161
  302    HB2  LYS   4           HB3      LYS   4  20.217  -8.246   1.160
  303    HB3  LYS   4           HB2      LYS   4  18.933  -9.140   0.364
  304    HG2  LYS   4           HG3      LYS   4  20.168  -9.037  -1.743
  305    HG3  LYS   4           HG2      LYS   4  21.459  -8.146  -0.943
  306    HD2  LYS   4           HD3      LYS   4  22.097 -10.457  -1.092
  307    HD3  LYS   4           HD2      LYS   4  21.765 -10.070   0.596
  308    HE2  LYS   4           HE3      LYS   4  20.810 -12.226   0.015
  309    HE3  LYS   4           HE2      LYS   4  19.535 -11.068   0.378
  310    HZ1  LYS   4           HZ1      LYS   4  19.183 -10.758  -1.985
  311    HZ2  LYS   4           HZ2      LYS   4  19.024 -12.390  -1.583
  312    HZ3  LYS   4           HZ3      LYS   4  20.427 -11.839  -2.345
  313    H    GLN   5           H        GLN   5  19.017  -6.125   2.204
  314    HA   GLN   5           HA       GLN   5  16.470  -6.958   3.081
  315    HB2  GLN   5           HB3      GLN   5  18.337  -4.836   4.136
  316    HB3  GLN   5           HB2      GLN   5  16.853  -5.317   4.946
  317    HG2  GLN   5           HG3      GLN   5  17.713  -7.612   5.121
  318    HG3  GLN   5           HG2      GLN   5  19.217  -7.087   4.363
  319   HE21  GLN   5          HE21      GLN   5  20.428  -7.658   6.162
  320   HE22  GLN   5          HE22      GLN   5  20.398  -6.734   7.623
  321    H    LEU   6           H        LEU   6  17.624  -3.960   1.627
  322    HA   LEU   6           HA       LEU   6  15.205  -2.523   1.989
  323    HB2  LEU   6           HB3      LEU   6  17.670  -2.164   0.378
  324    HB3  LEU   6           HB2      LEU   6  16.245  -1.298  -0.155
  325    HG   LEU   6           HG       LEU   6  17.663   0.101   1.260
  326   HD11  LEU   6          HD11      LEU   6  15.231   0.446   1.256
  327   HD12  LEU   6          HD12      LEU   6  15.967   0.881   2.797
  328   HD13  LEU   6          HD13      LEU   6  15.087  -0.638   2.639
  329   HD21  LEU   6          HD21      LEU   6  18.669  -1.637   2.637
  330   HD22  LEU   6          HD22      LEU   6  17.114  -1.938   3.410
  331   HD23  LEU   6          HD23      LEU   6  17.926  -0.391   3.638
  332    H    GLU   7           H        GLU   7  16.480  -4.473  -0.683
  333    HA   GLU   7           HA       GLU   7  14.366  -4.077  -2.470
  334    HB2  GLU   7           HB3      GLU   7  16.640  -5.186  -2.872
  335    HB3  GLU   7           HB2      GLU   7  15.917  -6.646  -2.211
  336    HG2  GLU   7           HG3      GLU   7  14.207  -6.589  -3.950
  337    HG3  GLU   7           HG2      GLU   7  14.938  -5.124  -4.601
  338    H    ASP   8           H        ASP   8  14.772  -6.308   0.218
  339    HA   ASP   8           HA       ASP   8  12.324  -7.722  -0.315
  340    HB2  ASP   8           HB3      ASP   8  14.307  -7.735   1.934
  341    HB3  ASP   8           HB2      ASP   8  12.735  -8.498   2.148
  342    H    LYS   9           H        LYS   9  13.282  -4.943   1.558
  343    HA   LYS   9           HA       LYS   9  10.950  -4.828   3.183
  344    HB2  LYS   9           HB3      LYS   9  13.134  -3.694   3.701
  345    HB3  LYS   9           HB2      LYS   9  12.770  -2.536   2.429
  346    HG2  LYS   9           HG3      LYS   9  10.712  -1.909   3.646
  347    HG3  LYS   9           HG2      LYS   9  11.186  -3.001   4.946
  348    HD2  LYS   9           HD3      LYS   9  13.221  -1.714   5.313
  349    HD3  LYS   9           HD2      LYS   9  12.797  -0.638   3.979
  350    HE2  LYS   9           HE3      LYS   9  10.816   0.097   5.167
  351    HE3  LYS   9           HE2      LYS   9  11.152  -1.035   6.475
  352    HZ1  LYS   9           HZ1      LYS   9  12.865   1.258   5.691
  353    HZ2  LYS   9           HZ2      LYS   9  13.191   0.173   6.944
  354    HZ3  LYS   9           HZ3      LYS   9  11.853   1.199   7.044
  355    H    VAL  10           H        VAL  10  11.911  -3.211   0.164
  356    HA   VAL  10           HA       VAL  10   9.546  -1.682  -0.088
  357    HB   VAL  10           HB       VAL  10  11.587  -1.140  -1.340
  358   HG11  VAL  10          HG11      VAL  10  10.963  -3.584  -2.983
  359   HG12  VAL  10          HG12      VAL  10  12.332  -3.391  -1.890
  360   HG13  VAL  10          HG13      VAL  10  12.212  -2.390  -3.338
  361   HG21  VAL  10          HG21      VAL  10   9.161  -1.694  -3.029
  362   HG22  VAL  10          HG22      VAL  10  10.516  -0.687  -3.527
  363   HG23  VAL  10          HG23      VAL  10   9.532  -0.216  -2.142
  364    H    GLU  11           H        GLU  11  10.368  -4.964  -1.023
  365    HA   GLU  11           HA       GLU  11   7.954  -5.422  -2.505
  366    HB2  GLU  11           HB3      GLU  11  10.244  -6.739  -2.495
  367    HB3  GLU  11           HB2      GLU  11   9.506  -7.623  -1.169
  368    HG2  GLU  11           HG3      GLU  11   8.287  -7.348  -3.907
  369    HG3  GLU  11           HG2      GLU  11   9.276  -8.707  -3.390
  370    H    GLU  12           H        GLU  12   9.053  -5.945   0.819
  371    HA   GLU  12           HA       GLU  12   6.813  -7.182   1.891
  372    HB2  GLU  12           HB3      GLU  12   9.039  -6.624   3.012
  373    HB3  GLU  12           HB2      GLU  12   8.378  -5.026   3.310
  374    HG2  GLU  12           HG3      GLU  12   7.002  -7.519   4.252
  375    HG3  GLU  12           HG2      GLU  12   8.263  -6.729   5.193
  376    H    LEU  13           H        LEU  13   7.393  -3.666   1.469
  377    HA   LEU  13           HA       LEU  13   4.754  -3.016   2.316
  378    HB2  LEU  13           HB3      LEU  13   6.871  -1.413   0.932
  379    HB3  LEU  13           HB2      LEU  13   5.235  -0.802   1.060
  380    HG   LEU  13           HG       LEU  13   5.437  -1.261   3.568
  381   HD11  LEU  13          HD11      LEU  13   7.711  -1.154   4.467
  382   HD12  LEU  13          HD12      LEU  13   8.360  -1.266   2.830
  383   HD13  LEU  13          HD13      LEU  13   7.450  -2.614   3.513
  384   HD21  LEU  13          HD21      LEU  13   6.518   0.915   3.932
  385   HD22  LEU  13          HD22      LEU  13   5.353   0.966   2.609
  386   HD23  LEU  13          HD23      LEU  13   7.081   0.906   2.262
  387    H    LEU  14           H        LEU  14   5.856  -4.348  -0.607
  388    HA   LEU  14           HA       LEU  14   3.705  -3.312  -2.199
  389    HB2  LEU  14           HB3      LEU  14   5.965  -4.296  -3.012
  390    HB3  LEU  14           HB2      LEU  14   5.204  -5.856  -2.772
  391    HG   LEU  14           HG       LEU  14   3.334  -4.608  -4.303
  392   HD11  LEU  14          HD11      LEU  14   4.677  -3.607  -6.188
  393   HD12  LEU  14          HD12      LEU  14   6.028  -3.516  -5.053
  394   HD13  LEU  14          HD13      LEU  14   4.539  -2.625  -4.733
  395   HD21  LEU  14          HD21      LEU  14   4.230  -5.911  -6.160
  396   HD22  LEU  14          HD22      LEU  14   4.218  -6.841  -4.663
  397   HD23  LEU  14          HD23      LEU  14   5.729  -6.160  -5.266
  398    H    SER  15           H        SER  15   4.365  -6.201  -0.287
  399    HA   SER  15           HA       SER  15   1.793  -7.341  -0.766
  400    HB2  SER  15           HB3      SER  15   2.453  -8.654   1.405
  401    HB3  SER  15           HB2      SER  15   3.318  -8.956  -0.099
  402    HG   SER  15           HG       SER  15   4.136  -7.426   2.136
  403    H    LYS  16           H        LYS  16   3.149  -5.077   1.580
  404    HA   LYS  16           HA       LYS  16   0.960  -4.745   3.259
  405    HB2  LYS  16           HB3      LYS  16   3.069  -3.563   3.586
  406    HB3  LYS  16           HB2      LYS  16   2.825  -2.665   2.098
  407    HG2  LYS  16           HG3      LYS  16   0.862  -1.574   3.105
  408    HG3  LYS  16           HG2      LYS  16   1.186  -2.435   4.612
  409    HD2  LYS  16           HD3      LYS  16   3.287  -1.322   4.876
  410    HD3  LYS  16           HD2      LYS  16   3.184  -0.624   3.260
  411    HE2  LYS  16           HE3      LYS  16   2.660   1.059   4.931
  412    HE3  LYS  16           HE2      LYS  16   1.231   0.685   3.967
  413    HZ1  LYS  16           HZ1      LYS  16   0.390  -0.680   5.740
  414    HZ2  LYS  16           HZ2      LYS  16   0.756   0.854   6.348
  415    HZ3  LYS  16           HZ3      LYS  16   1.794  -0.442   6.654
  416    H    ASN  17           H        ASN  17   1.578  -3.246   0.082
  417    HA   ASN  17           HA       ASN  17  -0.881  -1.938  -0.203
  418    HB2  ASN  17           HB3      ASN  17   1.150  -2.967  -2.154
  419    HB3  ASN  17           HB2      ASN  17  -0.394  -2.365  -2.743
  420   HD21  ASN  17          HD21      ASN  17   2.656  -1.550  -1.343
  421   HD22  ASN  17          HD22      ASN  17   2.481   0.167  -1.472
  422    H    TYR  18           H        TYR  18   0.121  -5.199  -1.171
  423    HA   TYR  18           HA       TYR  18  -2.192  -5.975  -2.490
  424    HB2  TYR  18           HB3      TYR  18  -0.120  -7.291  -2.510
  425    HB3  TYR  18           HB2      TYR  18  -0.362  -7.706  -0.816
  426    HD1  TYR  18           HD1      TYR  18  -1.616  -9.602  -0.232
  427    HD2  TYR  18           HD2      TYR  18  -1.910  -8.045  -4.181
  428    HE1  TYR  18           HE1      TYR  18  -2.948 -11.560  -0.902
  429    HE2  TYR  18           HE2      TYR  18  -3.239 -10.000  -4.858
  430    HH   TYR  18           HH       TYR  18  -3.582 -12.346  -4.128
  431    H    HIS  19           H        HIS  19  -1.464  -6.132   0.985
  432    HA   HIS  19           HA       HIS  19  -3.847  -7.490   1.725
  433    HB2  HIS  19           HB3      HIS  19  -2.141  -5.610   3.375
  434    HB3  HIS  19           HB2      HIS  19  -3.370  -6.694   4.013
  435    HD1  HIS  19           HD1      HIS  19  -0.242  -6.715   4.687
  436    HD2  HIS  19           HD2      HIS  19  -2.258  -9.318   2.149
  437    HE1  HIS  19           HE1      HIS  19   1.165  -8.797   4.595
  438    HE2  HIS  19           HE2      HIS  19  -0.019 -10.319   2.977
  439    H    LEU  20           H        LEU  20  -2.969  -4.097   1.488
  440    HA   LEU  20           HA       LEU  20  -5.393  -3.052   2.493
  441    HB2  LEU  20           HB3      LEU  20  -3.225  -1.869   2.446
  442    HB3  LEU  20           HB2      LEU  20  -3.303  -1.817   0.698
  443    HG   LEU  20           HG       LEU  20  -5.321  -0.421   0.855
  444   HD11  LEU  20          HD11      LEU  20  -5.886   0.610   3.018
  445   HD12  LEU  20          HD12      LEU  20  -4.729  -0.459   3.810
  446   HD13  LEU  20          HD13      LEU  20  -6.152  -1.133   3.019
  447   HD21  LEU  20          HD21      LEU  20  -3.108   0.579   0.599
  448   HD22  LEU  20          HD22      LEU  20  -2.927   0.630   2.351
  449   HD23  LEU  20          HD23      LEU  20  -4.163   1.608   1.564
  450    H    GLU  21           H        GLU  21  -4.213  -3.949  -0.686
  451    HA   GLU  21           HA       GLU  21  -6.331  -2.912  -2.233
  452    HB2  GLU  21           HB3      GLU  21  -4.178  -3.709  -3.164
  453    HB3  GLU  21           HB2      GLU  21  -4.626  -5.358  -2.752
  454    HG2  GLU  21           HG3      GLU  21  -6.545  -5.195  -4.277
  455    HG3  GLU  21           HG2      GLU  21  -6.036  -3.566  -4.717
  456    H    ASN  22           H        ASN  22  -5.916  -5.947  -0.490
  457    HA   ASN  22           HA       ASN  22  -8.246  -7.243  -1.356
  458    HB2  ASN  22           HB3      ASN  22  -6.754  -7.414   1.260
  459    HB3  ASN  22           HB2      ASN  22  -8.134  -8.438   0.876
  460   HD21  ASN  22          HD21      ASN  22  -5.430  -9.226   1.431
  461   HD22  ASN  22          HD22      ASN  22  -4.861 -10.068   0.032
  462    H    GLU  23           H        GLU  23  -7.703  -4.703   0.946
  463    HA   GLU  23           HA       GLU  23 -10.280  -4.839   2.183
  464    HB2  GLU  23           HB3      GLU  23  -8.268  -2.577   2.138
  465    HB3  GLU  23           HB2      GLU  23  -9.679  -2.693   3.213
  466    HG2  GLU  23           HG3      GLU  23  -7.299  -4.546   3.165
  467    HG3  GLU  23           HG2      GLU  23  -7.648  -3.316   4.377
  468    H    VAL  24           H        VAL  24  -8.868  -3.050  -0.503
  469    HA   VAL  24           HA       VAL  24 -11.095  -1.342  -0.932
  470    HB   VAL  24           HB       VAL  24  -9.174  -2.293  -3.065
  471   HG11  VAL  24          HG11      VAL  24 -11.142  -1.104  -3.889
  472   HG12  VAL  24          HG12      VAL  24  -9.675  -0.156  -4.130
  473   HG13  VAL  24          HG13      VAL  24 -10.782   0.252  -2.817
  474   HG21  VAL  24          HG21      VAL  24  -8.846   0.067  -1.223
  475   HG22  VAL  24          HG22      VAL  24  -7.775  -0.382  -2.548
  476   HG23  VAL  24          HG23      VAL  24  -7.919  -1.431  -1.138
  477    H    ALA  25           H        ALA  25 -10.195  -4.545  -2.046
  478    HA   ALA  25           HA       ALA  25 -12.159  -4.779  -4.065
  479    HB1  ALA  25           HB1      ALA  25 -10.104  -6.170  -3.898
  480    HB2  ALA  25           HB2      ALA  25 -11.582  -7.087  -4.179
  481    HB3  ALA  25           HB3      ALA  25 -10.868  -7.044  -2.570
  482    H    ARG  26           H        ARG  26 -12.180  -5.716  -0.628
  483    HA   ARG  26           HA       ARG  26 -14.603  -7.138  -0.746
  484    HB2  ARG  26           HB3      ARG  26 -14.708  -6.623   1.742
  485    HB3  ARG  26           HB2      ARG  26 -13.340  -7.558   1.176
  486    HG2  ARG  26           HG3      ARG  26 -11.909  -5.642   1.346
  487    HG3  ARG  26           HG2      ARG  26 -13.271  -4.593   1.733
  488    HD2  ARG  26           HD2      ARG  26 -12.079  -5.125   3.748
  489    HD3  ARG  26           HD1      ARG  26 -13.657  -5.902   3.782
  490    HE   ARG  26           HE       ARG  26 -11.747  -7.699   2.749
  491   HH11  ARG  26          HH11      ARG  26 -12.690  -6.164   5.752
  492   HH12  ARG  26          HH12      ARG  26 -12.088  -7.451   6.746
  493   HH21  ARG  26          HH21      ARG  26 -10.948  -9.394   4.064
  494   HH22  ARG  26          HH22      ARG  26 -11.096  -9.284   5.790
  495    H    LEU  27           H        LEU  27 -13.891  -3.752  -0.079
  496    HA   LEU  27           HA       LEU  27 -16.592  -3.043   0.459
  497    HB2  LEU  27           HB3      LEU  27 -14.285  -1.312  -0.397
  498    HB3  LEU  27           HB2      LEU  27 -15.816  -0.754   0.237
  499    HG   LEU  27           HG       LEU  27 -14.097  -2.568   1.849
  500   HD11  LEU  27          HD11      LEU  27 -13.966   0.428   1.803
  501   HD12  LEU  27          HD12      LEU  27 -12.740  -0.656   1.145
  502   HD13  LEU  27          HD13      LEU  27 -13.076  -0.651   2.879
  503   HD21  LEU  27          HD21      LEU  27 -15.283  -1.348   3.680
  504   HD22  LEU  27          HD22      LEU  27 -16.332  -2.317   2.644
  505   HD23  LEU  27          HD23      LEU  27 -16.259  -0.564   2.435
  506    H    LYS  28           H        LYS  28 -14.558  -2.851  -2.432
  507    HA   LYS  28           HA       LYS  28 -16.179  -1.457  -4.139
  508    HB2  LYS  28           HB3      LYS  28 -13.903  -2.310  -4.663
  509    HB3  LYS  28           HB2      LYS  28 -14.586  -3.915  -4.875
  510    HG2  LYS  28           HG3      LYS  28 -14.253  -2.891  -7.023
  511    HG3  LYS  28           HG2      LYS  28 -15.982  -3.049  -6.712
  512    HD2  LYS  28           HD3      LYS  28 -16.077  -0.695  -6.041
  513    HD3  LYS  28           HD2      LYS  28 -14.346  -0.537  -6.347
  514    HE2  LYS  28           HE3      LYS  28 -14.710  -1.081  -8.700
  515    HE3  LYS  28           HE2      LYS  28 -16.437  -1.260  -8.396
  516    HZ1  LYS  28           HZ1      LYS  28 -14.888   1.247  -8.033
  517    HZ2  LYS  28           HZ2      LYS  28 -16.552   1.065  -7.803
  518    HZ3  LYS  28           HZ3      LYS  28 -15.890   0.899  -9.349
  519    H    LYS  29           H        LYS  29 -16.368  -4.948  -3.457
  520    HA   LYS  29           HA       LYS  29 -18.586  -5.304  -5.225
  521    HB2  LYS  29           HB3      LYS  29 -18.659  -7.580  -4.289
  522    HB3  LYS  29           HB2      LYS  29 -17.069  -7.135  -4.881
  523    HG2  LYS  29           HG3      LYS  29 -16.342  -6.698  -2.590
  524    HG3  LYS  29           HG2      LYS  29 -17.943  -7.147  -2.000
  525    HD2  LYS  29           HD3      LYS  29 -16.424  -9.007  -1.731
  526    HD3  LYS  29           HD2      LYS  29 -17.630  -9.399  -2.957
  527    HE2  LYS  29           HE3      LYS  29 -16.019  -8.831  -4.713
  528    HE3  LYS  29           HE2      LYS  29 -14.815  -8.453  -3.483
  529    HZ1  LYS  29           HZ1      LYS  29 -14.896 -10.746  -2.744
  530    HZ2  LYS  29           HZ2      LYS  29 -14.515 -10.675  -4.390
  531    HZ3  LYS  29           HZ3      LYS  29 -16.073 -11.109  -3.905
  532    H    LEU  30           H        LEU  30 -18.226  -4.471  -1.879
  533    HA   LEU  30           HA       LEU  30 -20.909  -5.152  -1.128
  534    HB2  LEU  30           HB3      LEU  30 -18.601  -3.846   0.157
  535    HB3  LEU  30           HB2      LEU  30 -20.173  -3.319   0.725
  536    HG   LEU  30           HG       LEU  30 -20.754  -5.583   1.369
  537   HD11  LEU  30          HD11      LEU  30 -19.597  -6.806  -0.389
  538   HD12  LEU  30          HD12      LEU  30 -19.160  -7.420   1.204
  539   HD13  LEU  30          HD13      LEU  30 -18.044  -6.377   0.323
  540   HD21  LEU  30          HD21      LEU  30 -18.021  -4.770   2.340
  541   HD22  LEU  30          HD22      LEU  30 -19.079  -5.937   3.131
  542   HD23  LEU  30          HD23      LEU  30 -19.571  -4.249   3.001
  543    H    VAL  31           H        VAL  31 -19.280  -2.266  -2.321
  544    HA   VAL  31           HA       VAL  31 -21.608  -0.604  -2.081
  545    HB   VAL  31           HB       VAL  31 -19.189  -0.167  -3.858
  546   HG11  VAL  31          HG11      VAL  31 -21.171   1.176  -4.446
  547   HG12  VAL  31          HG12      VAL  31 -19.832   2.157  -3.856
  548   HG13  VAL  31          HG13      VAL  31 -21.202   1.811  -2.800
  549   HG21  VAL  31          HG21      VAL  31 -19.712   0.787  -1.048
  550   HG22  VAL  31          HG22      VAL  31 -18.353   1.271  -2.062
  551   HG23  VAL  31          HG23      VAL  31 -18.508  -0.405  -1.538
  552    H    GLY  32           H        GLY  32 -20.337  -2.821  -4.439
  553    HA2  GLY  32           HA3      GLY  32 -22.039  -1.900  -6.583
  554    HA3  GLY  32           HA2      GLY  32 -21.002  -3.318  -6.605
  555    H    GLU  33           H        GLU  33 -21.848  -4.813  -4.571
  556    HA   GLU  33           HA       GLU  33 -23.402  -6.272  -3.834
  557    HB2  GLU  33           HB3      GLU  33 -24.656  -4.211  -3.211
  558    HB3  GLU  33           HB2      GLU  33 -25.460  -4.269  -4.773
  559    HG2  GLU  33           HG3      GLU  33 -26.510  -6.354  -4.216
  560    HG3  GLU  33           HG2      GLU  33 -25.610  -6.442  -2.701
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  25.156   0.799  -4.571
    2    H2   GLY   1           H2       GLY   1  24.799   1.203  -2.973
    3    H3   GLY   1           H3       GLY   1  26.349   1.476  -3.585
    4    HA2  GLY   1           HA2      GLY   1  25.143   3.547  -3.463
    5    HA3  GLY   1           HA3      GLY   1  25.482   3.113  -5.134
    6    H    SER   2           H        SER   2  23.634   4.766  -5.259
    7    HA   SER   2           HA       SER   2  21.501   5.147  -6.019
    8    HB2  SER   2           HB3      SER   2  21.783   3.090  -7.341
    9    HB3  SER   2           HB2      SER   2  21.277   2.121  -5.960
   10    HG   SER   2           HG       SER   2  19.248   3.194  -6.075
   11    H    MET   3           H        MET   3  22.212   5.106  -3.252
   12    HA   MET   3           HA       MET   3  20.357   3.729  -1.645
   13    HB2  MET   3           HB3      MET   3  22.551   4.701  -0.905
   14    HB3  MET   3           HB2      MET   3  21.802   6.290  -0.961
   15    HG2  MET   3           HG3      MET   3  21.835   5.437   1.305
   16    HG3  MET   3           HG2      MET   3  20.180   5.601   0.720
   17    HE1  MET   3           HE1      MET   3  19.987   2.467   3.081
   18    HE2  MET   3           HE2      MET   3  19.337   4.070   2.736
   19    HE3  MET   3           HE3      MET   3  20.997   3.894   3.306
   20    H    LYS   4           H        LYS   4  20.385   7.037  -2.928
   21    HA   LYS   4           HA       LYS   4  18.081   7.916  -1.562
   22    HB2  LYS   4           HB3      LYS   4  19.709   9.451  -2.609
   23    HB3  LYS   4           HB2      LYS   4  19.192   8.904  -4.195
   24    HG2  LYS   4           HG3      LYS   4  16.941   9.765  -3.753
   25    HG3  LYS   4           HG2      LYS   4  17.486  10.344  -2.178
   26    HD2  LYS   4           HD3      LYS   4  18.619  11.215  -4.835
   27    HD3  LYS   4           HD2      LYS   4  17.438  12.122  -3.891
   28    HE2  LYS   4           HE3      LYS   4  19.059  12.236  -2.033
   29    HE3  LYS   4           HE2      LYS   4  20.240  11.402  -3.040
   30    HZ1  LYS   4           HZ1      LYS   4  20.591  13.780  -3.085
   31    HZ2  LYS   4           HZ2      LYS   4  19.014  14.039  -3.629
   32    HZ3  LYS   4           HZ3      LYS   4  20.127  13.235  -4.615
   33    H    GLN   5           H        GLN   5  18.558   6.317  -4.661
   34    HA   GLN   5           HA       GLN   5  15.942   6.529  -5.647
   35    HB2  GLN   5           HB3      GLN   5  18.035   4.397  -6.052
   36    HB3  GLN   5           HB2      GLN   5  16.507   4.421  -6.916
   37    HG2  GLN   5           HG3      GLN   5  18.607   6.574  -7.006
   38    HG3  GLN   5           HG2      GLN   5  18.324   5.354  -8.245
   39   HE21  GLN   5          HE21      GLN   5  17.216   8.294  -6.820
   40   HE22  GLN   5          HE22      GLN   5  16.004   8.654  -7.995
   41    H    LEU   6           H        LEU   6  17.438   4.058  -3.579
   42    HA   LEU   6           HA       LEU   6  15.088   2.470  -3.385
   43    HB2  LEU   6           HB3      LEU   6  17.698   2.561  -1.941
   44    HB3  LEU   6           HB2      LEU   6  16.377   1.662  -1.220
   45    HG   LEU   6           HG       LEU   6  16.222   0.284  -3.272
   46   HD11  LEU   6          HD11      LEU   6  18.689   1.794  -4.120
   47   HD12  LEU   6          HD12      LEU   6  17.105   1.859  -4.893
   48   HD13  LEU   6          HD13      LEU   6  18.036   0.361  -4.914
   49   HD21  LEU   6          HD21      LEU   6  18.943   0.366  -1.981
   50   HD22  LEU   6          HD22      LEU   6  18.285  -0.985  -2.903
   51   HD23  LEU   6          HD23      LEU   6  17.527  -0.501  -1.386
   52    H    GLU   7           H        GLU   7  16.400   5.131  -1.497
   53    HA   GLU   7           HA       GLU   7  14.563   4.953   0.649
   54    HB2  GLU   7           HB3      GLU   7  16.082   7.333  -0.428
   55    HB3  GLU   7           HB2      GLU   7  15.174   7.334   1.077
   56    HG2  GLU   7           HG3      GLU   7  17.563   5.617   0.439
   57    HG3  GLU   7           HG2      GLU   7  17.539   7.031   1.492
   58    H    ASP   8           H        ASP   8  14.473   6.657  -2.449
   59    HA   ASP   8           HA       ASP   8  11.932   7.877  -1.945
   60    HB2  ASP   8           HB3      ASP   8  13.572   7.473  -4.435
   61    HB3  ASP   8           HB2      ASP   8  11.946   8.145  -4.509
   62    H    LYS   9           H        LYS   9  13.026   4.872  -3.315
   63    HA   LYS   9           HA       LYS   9  10.655   4.042  -4.557
   64    HB2  LYS   9           HB3      LYS   9  12.850   2.951  -4.875
   65    HB3  LYS   9           HB2      LYS   9  12.770   2.332  -3.231
   66    HG2  LYS   9           HG3      LYS   9  10.752   1.062  -3.831
   67    HG3  LYS   9           HG2      LYS   9  10.904   1.639  -5.489
   68    HD2  LYS   9           HD3      LYS   9  12.984   0.020  -4.018
   69    HD3  LYS   9           HD2      LYS   9  11.825  -0.633  -5.177
   70    HE2  LYS   9           HE3      LYS   9  13.912   1.464  -5.773
   71    HE3  LYS   9           HE2      LYS   9  14.032  -0.245  -6.184
   72    HZ1  LYS   9           HZ1      LYS   9  13.306   1.055  -8.073
   73    HZ2  LYS   9           HZ2      LYS   9  11.981   1.642  -7.207
   74    HZ3  LYS   9           HZ3      LYS   9  12.077  -0.002  -7.590
   75    H    VAL  10           H        VAL  10  11.880   3.330  -1.277
   76    HA   VAL  10           HA       VAL  10   9.608   1.840  -0.509
   77    HB   VAL  10           HB       VAL  10  11.727   1.606   0.680
   78   HG11  VAL  10          HG11      VAL  10  11.207   4.380   1.739
   79   HG12  VAL  10          HG12      VAL  10  12.491   3.914   0.623
   80   HG13  VAL  10          HG13      VAL  10  12.491   3.294   2.275
   81   HG21  VAL  10          HG21      VAL  10  10.859   1.609   2.976
   82   HG22  VAL  10          HG22      VAL  10   9.695   0.948   1.828
   83   HG23  VAL  10          HG23      VAL  10   9.490   2.586   2.447
   84    H    GLU  11           H        GLU  11  10.368   5.281  -0.279
   85    HA   GLU  11           HA       GLU  11   8.099   5.974   1.289
   86    HB2  GLU  11           HB3      GLU  11   9.779   7.619  -0.603
   87    HB3  GLU  11           HB2      GLU  11   8.498   8.287   0.398
   88    HG2  GLU  11           HG3      GLU  11   9.701   7.518   2.402
   89    HG3  GLU  11           HG2      GLU  11  11.004   6.932   1.366
   90    H    GLU  12           H        GLU  12   8.695   5.672  -2.161
   91    HA   GLU  12           HA       GLU  12   6.271   6.702  -3.099
   92    HB2  GLU  12           HB3      GLU  12   8.227   6.147  -4.521
   93    HB3  GLU  12           HB2      GLU  12   7.873   4.439  -4.299
   94    HG2  GLU  12           HG3      GLU  12   5.761   4.685  -5.427
   95    HG3  GLU  12           HG2      GLU  12   6.001   6.427  -5.557
   96    H    LEU  13           H        LEU  13   7.087   3.256  -2.426
   97    HA   LEU  13           HA       LEU  13   4.407   2.406  -2.708
   98    HB2  LEU  13           HB3      LEU  13   6.762   1.114  -1.361
   99    HB3  LEU  13           HB2      LEU  13   5.163   0.399  -1.311
  100    HG   LEU  13           HG       LEU  13   5.207   0.611  -3.872
  101   HD11  LEU  13          HD11      LEU  13   7.177   2.010  -4.063
  102   HD12  LEU  13          HD12      LEU  13   7.435   0.463  -4.870
  103   HD13  LEU  13          HD13      LEU  13   8.157   0.764  -3.290
  104   HD21  LEU  13          HD21      LEU  13   6.956  -1.368  -2.426
  105   HD22  LEU  13          HD22      LEU  13   6.340  -1.560  -4.068
  106   HD23  LEU  13          HD23      LEU  13   5.218  -1.504  -2.706
  107    H    LEU  14           H        LEU  14   6.182   3.603   0.096
  108    HA   LEU  14           HA       LEU  14   4.252   3.185   2.052
  109    HB2  LEU  14           HB3      LEU  14   6.494   4.070   2.501
  110    HB3  LEU  14           HB2      LEU  14   6.110   5.544   1.652
  111    HG   LEU  14           HG       LEU  14   6.160   5.666   4.160
  112   HD11  LEU  14          HD11      LEU  14   5.134   7.404   2.829
  113   HD12  LEU  14          HD12      LEU  14   4.241   7.146   4.330
  114   HD13  LEU  14          HD13      LEU  14   3.614   6.507   2.809
  115   HD21  LEU  14          HD21      LEU  14   4.229   4.909   5.405
  116   HD22  LEU  14          HD22      LEU  14   5.017   3.544   4.614
  117   HD23  LEU  14          HD23      LEU  14   3.531   4.218   3.943
  118    H    SER  15           H        SER  15   4.527   5.702  -0.395
  119    HA   SER  15           HA       SER  15   2.156   7.076   0.307
  120    HB2  SER  15           HB3      SER  15   3.498   6.929  -2.406
  121    HB3  SER  15           HB2      SER  15   2.373   8.171  -1.854
  122    HG   SER  15           HG       SER  15   4.770   7.643  -0.451
  123    H    LYS  16           H        LYS  16   2.849   4.383  -1.920
  124    HA   LYS  16           HA       LYS  16   0.325   4.270  -3.136
  125    HB2  LYS  16           HB3      LYS  16   2.358   2.100  -2.636
  126    HB3  LYS  16           HB2      LYS  16   0.903   1.863  -3.593
  127    HG2  LYS  16           HG3      LYS  16   1.641   3.618  -5.138
  128    HG3  LYS  16           HG2      LYS  16   3.112   3.823  -4.186
  129    HD2  LYS  16           HD3      LYS  16   3.554   2.427  -6.126
  130    HD3  LYS  16           HD2      LYS  16   3.715   1.485  -4.646
  131    HE2  LYS  16           HE3      LYS  16   2.539   0.215  -6.354
  132    HE3  LYS  16           HE2      LYS  16   1.477   0.557  -4.989
  133    HZ1  LYS  16           HZ1      LYS  16   1.519   2.029  -7.570
  134    HZ2  LYS  16           HZ2      LYS  16   0.505   2.374  -6.262
  135    HZ3  LYS  16           HZ3      LYS  16   0.350   0.907  -7.087
  136    H    ASN  17           H        ASN  17   1.530   2.356  -0.336
  137    HA   ASN  17           HA       ASN  17  -1.029   1.159   0.038
  138    HB2  ASN  17           HB3      ASN  17  -0.132   0.264   2.158
  139    HB3  ASN  17           HB2      ASN  17   0.900  -0.069   0.782
  140   HD21  ASN  17          HD21      ASN  17   0.732   2.948   2.657
  141   HD22  ASN  17          HD22      ASN  17   2.349   2.855   3.239
  142    H    TYR  18           H        TYR  18   0.289   4.159   0.949
  143    HA   TYR  18           HA       TYR  18  -1.498   4.660   3.136
  144    HB2  TYR  18           HB3      TYR  18   0.567   5.907   3.027
  145    HB3  TYR  18           HB2      TYR  18   0.170   6.511   1.423
  146    HD1  TYR  18           HD1      TYR  18  -1.180   6.529   4.909
  147    HD2  TYR  18           HD2      TYR  18  -0.741   8.625   1.233
  148    HE1  TYR  18           HE1      TYR  18  -2.226   8.511   5.917
  149    HE2  TYR  18           HE2      TYR  18  -1.785  10.610   2.234
  150    HH   TYR  18           HH       TYR  18  -2.356  10.876   5.619
  151    H    HIS  19           H        HIS  19  -1.385   5.620  -0.288
  152    HA   HIS  19           HA       HIS  19  -3.833   7.034  -0.267
  153    HB2  HIS  19           HB3      HIS  19  -2.178   5.814  -2.459
  154    HB3  HIS  19           HB2      HIS  19  -3.756   6.514  -2.810
  155    HD1  HIS  19           HD1      HIS  19  -3.630   8.867  -3.521
  156    HD2  HIS  19           HD2      HIS  19  -0.513   7.872  -0.962
  157    HE1  HIS  19           HE1      HIS  19  -2.214  10.934  -3.346
  158    HE2  HIS  19           HE2      HIS  19  -0.240  10.244  -1.942
  159    H    LEU  20           H        LEU  20  -3.037   3.673  -1.053
  160    HA   LEU  20           HA       LEU  20  -5.671   2.925  -1.760
  161    HB2  LEU  20           HB3      LEU  20  -3.154   1.505  -1.129
  162    HB3  LEU  20           HB2      LEU  20  -4.632   0.591  -0.923
  163    HG   LEU  20           HG       LEU  20  -3.566   0.265  -3.144
  164   HD11  LEU  20          HD11      LEU  20  -5.592   0.430  -4.419
  165   HD12  LEU  20          HD12      LEU  20  -6.251   1.622  -3.300
  166   HD13  LEU  20          HD13      LEU  20  -5.997  -0.039  -2.769
  167   HD21  LEU  20          HD21      LEU  20  -3.734   2.050  -4.800
  168   HD22  LEU  20          HD22      LEU  20  -2.680   2.512  -3.463
  169   HD23  LEU  20          HD23      LEU  20  -4.321   3.152  -3.557
  170    H    GLU  21           H        GLU  21  -3.963   3.045   1.319
  171    HA   GLU  21           HA       GLU  21  -5.910   1.767   2.894
  172    HB2  GLU  21           HB3      GLU  21  -3.638   2.358   3.697
  173    HB3  GLU  21           HB2      GLU  21  -4.092   4.056   3.677
  174    HG2  GLU  21           HG3      GLU  21  -5.837   3.579   5.343
  175    HG3  GLU  21           HG2      GLU  21  -5.296   1.902   5.396
  176    H    ASN  22           H        ASN  22  -5.532   5.106   1.836
  177    HA   ASN  22           HA       ASN  22  -7.767   6.173   3.184
  178    HB2  ASN  22           HB3      ASN  22  -6.405   7.082   0.640
  179    HB3  ASN  22           HB2      ASN  22  -7.642   8.005   1.482
  180   HD21  ASN  22          HD21      ASN  22  -4.951   8.790   0.911
  181   HD22  ASN  22          HD22      ASN  22  -4.185   9.089   2.431
  182    H    GLU  23           H        GLU  23  -7.422   4.353   0.251
  183    HA   GLU  23           HA       GLU  23  -9.940   5.060  -0.885
  184    HB2  GLU  23           HB3      GLU  23  -8.171   2.669  -1.438
  185    HB3  GLU  23           HB2      GLU  23  -9.557   3.178  -2.425
  186    HG2  GLU  23           HG3      GLU  23  -6.996   4.708  -1.982
  187    HG3  GLU  23           HG2      GLU  23  -7.481   3.862  -3.449
  188    H    VAL  24           H        VAL  24  -8.802   2.416   1.179
  189    HA   VAL  24           HA       VAL  24 -11.253   0.961   1.056
  190    HB   VAL  24           HB       VAL  24  -9.209   0.787   3.288
  191   HG11  VAL  24          HG11      VAL  24 -11.376  -0.357   3.665
  192   HG12  VAL  24          HG12      VAL  24 -10.026  -1.484   3.548
  193   HG13  VAL  24          HG13      VAL  24 -11.127  -1.284   2.183
  194   HG21  VAL  24          HG21      VAL  24  -8.075   0.567   1.147
  195   HG22  VAL  24          HG22      VAL  24  -9.240  -0.658   0.644
  196   HG23  VAL  24          HG23      VAL  24  -8.143  -0.983   1.985
  197    H    ALA  25           H        ALA  25 -10.121   3.665   2.918
  198    HA   ALA  25           HA       ALA  25 -12.327   3.590   4.780
  199    HB1  ALA  25           HB1      ALA  25 -11.557   5.764   5.509
  200    HB2  ALA  25           HB2      ALA  25 -10.497   5.891   4.110
  201    HB3  ALA  25           HB3      ALA  25 -10.179   4.675   5.347
  202    H    ARG  26           H        ARG  26 -11.590   4.991   1.694
  203    HA   ARG  26           HA       ARG  26 -13.715   6.807   1.448
  204    HB2  ARG  26           HB3      ARG  26 -12.043   7.122  -0.112
  205    HB3  ARG  26           HB2      ARG  26 -11.846   5.405  -0.409
  206    HG2  ARG  26           HG3      ARG  26 -12.711   6.573  -2.354
  207    HG3  ARG  26           HG2      ARG  26 -13.859   5.379  -1.754
  208    HD2  ARG  26           HD2      ARG  26 -15.112   7.181  -0.637
  209    HD3  ARG  26           HD1      ARG  26 -13.959   8.361  -1.262
  210    HE   ARG  26           HE       ARG  26 -14.943   6.940  -3.438
  211   HH11  ARG  26          HH11      ARG  26 -16.185   9.094  -0.980
  212   HH12  ARG  26          HH12      ARG  26 -17.455   9.716  -1.983
  213   HH21  ARG  26          HH21      ARG  26 -16.607   7.757  -4.772
  214   HH22  ARG  26          HH22      ARG  26 -17.691   8.958  -4.151
  215    H    LEU  27           H        LEU  27 -13.434   3.475   0.138
  216    HA   LEU  27           HA       LEU  27 -16.125   3.380  -0.715
  217    HB2  LEU  27           HB3      LEU  27 -14.089   1.241  -0.195
  218    HB3  LEU  27           HB2      LEU  27 -15.745   0.832  -0.581
  219    HG   LEU  27           HG       LEU  27 -15.527   2.113  -2.699
  220   HD11  LEU  27          HD11      LEU  27 -12.633   2.256  -1.902
  221   HD12  LEU  27          HD12      LEU  27 -13.733   3.606  -2.160
  222   HD13  LEU  27          HD13      LEU  27 -13.251   2.595  -3.518
  223   HD21  LEU  27          HD21      LEU  27 -13.586  -0.140  -2.295
  224   HD22  LEU  27          HD22      LEU  27 -14.204   0.421  -3.848
  225   HD23  LEU  27          HD23      LEU  27 -15.304  -0.288  -2.667
  226    H    LYS  28           H        LYS  28 -14.642   2.740   2.374
  227    HA   LYS  28           HA       LYS  28 -16.644   1.256   3.601
  228    HB2  LYS  28           HB3      LYS  28 -14.392   1.855   4.561
  229    HB3  LYS  28           HB2      LYS  28 -15.042   3.445   4.931
  230    HG2  LYS  28           HG3      LYS  28 -15.092   2.037   6.893
  231    HG3  LYS  28           HG2      LYS  28 -16.736   2.410   6.369
  232    HD2  LYS  28           HD3      LYS  28 -16.893   0.229   5.282
  233    HD3  LYS  28           HD2      LYS  28 -15.238  -0.143   5.768
  234    HE2  LYS  28           HE3      LYS  28 -17.541   0.396   7.637
  235    HE3  LYS  28           HE2      LYS  28 -16.901  -1.195   7.237
  236    HZ1  LYS  28           HZ1      LYS  28 -16.037  -0.386   9.340
  237    HZ2  LYS  28           HZ2      LYS  28 -15.393   0.980   8.585
  238    HZ3  LYS  28           HZ3      LYS  28 -14.790  -0.555   8.213
  239    H    LYS  29           H        LYS  29 -16.408   4.739   3.075
  240    HA   LYS  29           HA       LYS  29 -18.771   5.397   4.505
  241    HB2  LYS  29           HB3      LYS  29 -17.254   6.886   2.359
  242    HB3  LYS  29           HB2      LYS  29 -18.559   7.562   3.316
  243    HG2  LYS  29           HG3      LYS  29 -15.978   6.513   4.448
  244    HG3  LYS  29           HG2      LYS  29 -16.311   8.210   4.108
  245    HD2  LYS  29           HD3      LYS  29 -17.866   6.470   6.024
  246    HD3  LYS  29           HD2      LYS  29 -16.641   7.654   6.480
  247    HE2  LYS  29           HE3      LYS  29 -19.255   8.221   5.085
  248    HE3  LYS  29           HE2      LYS  29 -18.863   8.587   6.764
  249    HZ1  LYS  29           HZ1      LYS  29 -18.643  10.548   5.412
  250    HZ2  LYS  29           HZ2      LYS  29 -17.572   9.769   4.365
  251    HZ3  LYS  29           HZ3      LYS  29 -17.116  10.082   5.963
  252    H    LEU  30           H        LEU  30 -18.038   4.493   1.201
  253    HA   LEU  30           HA       LEU  30 -20.554   5.190   0.085
  254    HB2  LEU  30           HB3      LEU  30 -18.522   3.155  -0.832
  255    HB3  LEU  30           HB2      LEU  30 -19.888   3.709  -1.781
  256    HG   LEU  30           HG       LEU  30 -17.569   5.416  -0.871
  257   HD11  LEU  30          HD11      LEU  30 -16.964   3.833  -2.623
  258   HD12  LEU  30          HD12      LEU  30 -16.996   5.484  -3.242
  259   HD13  LEU  30          HD13      LEU  30 -18.326   4.382  -3.599
  260   HD21  LEU  30          HD21      LEU  30 -18.562   7.135  -2.312
  261   HD22  LEU  30          HD22      LEU  30 -19.631   6.703  -0.979
  262   HD23  LEU  30          HD23      LEU  30 -19.950   6.085  -2.599
  263    H    VAL  31           H        VAL  31 -19.358   2.413   1.807
  264    HA   VAL  31           HA       VAL  31 -21.616   0.741   1.201
  265    HB   VAL  31           HB       VAL  31 -19.568   0.449   3.420
  266   HG11  VAL  31          HG11      VAL  31 -20.240  -1.897   3.461
  267   HG12  VAL  31          HG12      VAL  31 -21.459  -1.579   2.227
  268   HG13  VAL  31          HG13      VAL  31 -21.604  -0.841   3.823
  269   HG21  VAL  31          HG21      VAL  31 -18.466  -1.157   1.935
  270   HG22  VAL  31          HG22      VAL  31 -18.501   0.461   1.233
  271   HG23  VAL  31          HG23      VAL  31 -19.625  -0.772   0.663
  272    H    GLY  32           H        GLY  32 -20.841   3.188   3.510
  273    HA2  GLY  32           HA3      GLY  32 -22.986   2.414   5.324
  274    HA3  GLY  32           HA2      GLY  32 -21.849   3.734   5.557
  275    H    GLU  33           H        GLU  33 -22.119   5.330   3.454
  276    HA   GLU  33           HA       GLU  33 -24.920   5.844   2.933
  277    HB2  GLU  33           HB3      GLU  33 -24.590   6.853   5.158
  278    HB3  GLU  33           HB2      GLU  33 -23.260   7.811   4.524
  279    HG2  GLU  33           HG3      GLU  33 -24.795   8.967   3.026
  280    HG3  GLU  33           HG2      GLU  33 -26.132   7.997   3.642
  281    H1   GLY   1           H1       GLY   1  25.164  -0.983   3.891
  282    H2   GLY   1           H2       GLY   1  24.798  -1.380   2.292
  283    H3   GLY   1           H3       GLY   1  26.351  -1.665   2.895
  284    HA2  GLY   1           HA2      GLY   1  25.130  -3.725   2.773
  285    HA3  GLY   1           HA3      GLY   1  25.481  -3.301   4.442
  286    H    SER   2           H        SER   2  23.635  -4.949   4.571
  287    HA   SER   2           HA       SER   2  21.504  -5.344   5.327
  288    HB2  SER   2           HB3      SER   2  21.790  -3.297   6.664
  289    HB3  SER   2           HB2      SER   2  21.273  -2.319   5.294
  290    HG   SER   2           HG       SER   2  19.247  -3.390   5.410
  291    H    MET   3           H        MET   3  22.197  -5.293   2.562
  292    HA   MET   3           HA       MET   3  20.340  -3.902   0.969
  293    HB2  MET   3           HB3      MET   3  22.528  -4.874   0.216
  294    HB3  MET   3           HB2      MET   3  21.778  -6.463   0.271
  295    HG2  MET   3           HG3      MET   3  21.805  -5.600  -1.993
  296    HG3  MET   3           HG2      MET   3  20.151  -5.773  -1.406
  297    HE1  MET   3           HE1      MET   3  19.952  -2.626  -3.755
  298    HE2  MET   3           HE2      MET   3  19.304  -4.231  -3.420
  299    HE3  MET   3           HE3      MET   3  20.964  -4.054  -3.988
  300    H    LYS   4           H        LYS   4  20.375  -7.218   2.224
  301    HA   LYS   4           HA       LYS   4  18.060  -8.091   0.876
  302    HB2  LYS   4           HB3      LYS   4  19.695  -9.627   1.915
  303    HB3  LYS   4           HB2      LYS   4  19.180  -9.083   3.504
  304    HG2  LYS   4           HG3      LYS   4  16.931  -9.945   3.066
  305    HG3  LYS   4           HG2      LYS   4  17.467 -10.517   1.486
  306    HD2  LYS   4           HD3      LYS   4  18.614 -11.402   4.132
  307    HD3  LYS   4           HD2      LYS   4  17.426 -12.301   3.192
  308    HE2  LYS   4           HE3      LYS   4  19.035 -12.408   1.323
  309    HE3  LYS   4           HE2      LYS   4  20.225 -11.586   2.330
  310    HZ1  LYS   4           HZ1      LYS   4  20.565 -13.966   2.348
  311    HZ2  LYS   4           HZ2      LYS   4  18.993 -14.222   2.908
  312    HZ3  LYS   4           HZ3      LYS   4  20.118 -13.434   3.890
  313    H    GLN   5           H        GLN   5  18.551  -6.498   3.978
  314    HA   GLN   5           HA       GLN   5  15.942  -6.720   4.977
  315    HB2  GLN   5           HB3      GLN   5  18.037  -4.592   5.384
  316    HB3  GLN   5           HB2      GLN   5  16.513  -4.616   6.256
  317    HG2  GLN   5           HG3      GLN   5  18.611  -6.774   6.325
  318    HG3  GLN   5           HG2      GLN   5  18.336  -5.558   7.572
  319   HE21  GLN   5          HE21      GLN   5  17.212  -8.494   6.142
  320   HE22  GLN   5          HE22      GLN   5  16.010  -8.856   7.328
  321    H    LEU   6           H        LEU   6  17.428  -4.242   2.912
  322    HA   LEU   6           HA       LEU   6  15.080  -2.647   2.736
  323    HB2  LEU   6           HB3      LEU   6  17.685  -2.737   1.280
  324    HB3  LEU   6           HB2      LEU   6  16.363  -1.833   0.569
  325    HG   LEU   6           HG       LEU   6  16.220  -0.466   2.629
  326   HD11  LEU   6          HD11      LEU   6  18.687  -1.982   3.455
  327   HD12  LEU   6          HD12      LEU   6  17.108  -2.049   4.237
  328   HD13  LEU   6          HD13      LEU   6  18.041  -0.553   4.260
  329   HD21  LEU   6          HD21      LEU   6  18.934  -0.542   1.323
  330   HD22  LEU   6          HD22      LEU   6  18.279   0.806   2.254
  331   HD23  LEU   6          HD23      LEU   6  17.513   0.327   0.739
  332    H    GLU   7           H        GLU   7  16.386  -5.297   0.823
  333    HA   GLU   7           HA       GLU   7  14.538  -5.112  -1.310
  334    HB2  GLU   7           HB3      GLU   7  16.056  -7.500  -0.250
  335    HB3  GLU   7           HB2      GLU   7  15.145  -7.487  -1.753
  336    HG2  GLU   7           HG3      GLU   7  17.541  -5.784  -1.108
  337    HG3  GLU   7           HG2      GLU   7  17.508  -7.188  -2.173
  338    H    ASP   8           H        ASP   8  14.465  -6.823   1.785
  339    HA   ASP   8           HA       ASP   8  11.922  -8.046   1.284
  340    HB2  ASP   8           HB3      ASP   8  13.577  -7.666   3.766
  341    HB3  ASP   8           HB2      ASP   8  11.948  -8.323   3.848
  342    H    LYS   9           H        LYS   9  13.019  -5.044   2.657
  343    HA   LYS   9           HA       LYS   9  10.654  -4.221   3.918
  344    HB2  LYS   9           HB3      LYS   9  12.851  -3.132   4.233
  345    HB3  LYS   9           HB2      LYS   9  12.764  -2.505   2.593
  346    HG2  LYS   9           HG3      LYS   9  10.746  -1.239   3.211
  347    HG3  LYS   9           HG2      LYS   9  10.912  -1.824   4.866
  348    HD2  LYS   9           HD3      LYS   9  12.982  -0.201   3.386
  349    HD3  LYS   9           HD2      LYS   9  11.830   0.450   4.552
  350    HE2  LYS   9           HE3      LYS   9  13.918  -1.648   5.135
  351    HE3  LYS   9           HE2      LYS   9  14.045   0.060   5.547
  352    HZ1  LYS   9           HZ1      LYS   9  13.329  -1.227   7.443
  353    HZ2  LYS   9           HZ2      LYS   9  12.005  -1.833   6.584
  354    HZ3  LYS   9           HZ3      LYS   9  12.087  -0.186   6.958
  355    H    VAL  10           H        VAL  10  11.867  -3.490   0.638
  356    HA   VAL  10           HA       VAL  10   9.593  -2.000  -0.117
  357    HB   VAL  10           HB       VAL  10  11.704  -1.766  -1.315
  358   HG11  VAL  10          HG11      VAL  10  11.180  -4.534  -2.382
  359   HG12  VAL  10          HG12      VAL  10  12.469  -4.073  -1.271
  360   HG13  VAL  10          HG13      VAL  10  12.460  -3.447  -2.919
  361   HG21  VAL  10          HG21      VAL  10  10.824  -1.759  -3.607
  362   HG22  VAL  10          HG22      VAL  10   9.667  -1.101  -2.449
  363   HG23  VAL  10          HG23      VAL  10   9.457  -2.737  -3.073
  364    H    GLU  11           H        GLU  11  10.347  -5.441  -0.369
  365    HA   GLU  11           HA       GLU  11   8.067  -6.126  -1.923
  366    HB2  GLU  11           HB3      GLU  11   9.759  -7.779  -0.048
  367    HB3  GLU  11           HB2      GLU  11   8.471  -8.442  -1.041
  368    HG2  GLU  11           HG3      GLU  11   9.657  -7.669  -3.054
  369    HG3  GLU  11           HG2      GLU  11  10.967  -7.084  -2.027
  370    H    GLU  12           H        GLU  12   8.679  -5.829   1.523
  371    HA   GLU  12           HA       GLU  12   6.261  -6.869   2.464
  372    HB2  GLU  12           HB3      GLU  12   8.222  -6.320   3.883
  373    HB3  GLU  12           HB2      GLU  12   7.862  -4.611   3.673
  374    HG2  GLU  12           HG3      GLU  12   5.756  -4.870   4.806
  375    HG3  GLU  12           HG2      GLU  12   5.995  -6.611   4.923
  376    H    LEU  13           H        LEU  13   7.072  -3.422   1.815
  377    HA   LEU  13           HA       LEU  13   4.395  -2.569   2.104
  378    HB2  LEU  13           HB3      LEU  13   6.747  -1.278   0.750
  379    HB3  LEU  13           HB2      LEU  13   5.150  -0.560   0.709
  380    HG   LEU  13           HG       LEU  13   5.206  -0.780   3.271
  381   HD11  LEU  13          HD11      LEU  13   7.172  -2.184   3.447
  382   HD12  LEU  13          HD12      LEU  13   7.434  -0.642   4.262
  383   HD13  LEU  13          HD13      LEU  13   8.154  -0.936   2.679
  384   HD21  LEU  13          HD21      LEU  13   6.955   1.203   1.828
  385   HD22  LEU  13          HD22      LEU  13   6.345   1.387   3.472
  386   HD23  LEU  13          HD23      LEU  13   5.220   1.342   2.114
  387    H    LEU  14           H        LEU  14   6.157  -3.762  -0.710
  388    HA   LEU  14           HA       LEU  14   4.224  -3.327  -2.660
  389    HB2  LEU  14           HB3      LEU  14   6.460  -4.215  -3.121
  390    HB3  LEU  14           HB2      LEU  14   6.079  -5.691  -2.276
  391    HG   LEU  14           HG       LEU  14   6.121  -5.801  -4.785
  392   HD11  LEU  14          HD11      LEU  14   5.099  -7.547  -3.462
  393   HD12  LEU  14          HD12      LEU  14   4.197  -7.281  -4.953
  394   HD13  LEU  14          HD13      LEU  14   3.581  -6.650  -3.426
  395   HD21  LEU  14          HD21      LEU  14   4.183  -5.041  -6.020
  396   HD22  LEU  14          HD22      LEU  14   4.975  -3.679  -5.228
  397   HD23  LEU  14          HD23      LEU  14   3.492  -4.353  -4.550
  398    H    SER  15           H        SER  15   4.502  -5.854  -0.224
  399    HA   SER  15           HA       SER  15   2.127  -7.225  -0.922
  400    HB2  SER  15           HB3      SER  15   3.484  -7.087   1.781
  401    HB3  SER  15           HB2      SER  15   2.349  -8.322   1.238
  402    HG   SER  15           HG       SER  15   4.754  -7.797  -0.156
  403    H    LYS  16           H        LYS  16   2.835  -4.543   1.313
  404    HA   LYS  16           HA       LYS  16   0.319  -4.428   2.539
  405    HB2  LYS  16           HB3      LYS  16   2.352  -2.261   2.040
  406    HB3  LYS  16           HB2      LYS  16   0.901  -2.026   3.002
  407    HG2  LYS  16           HG3      LYS  16   1.640  -3.786   4.537
  408    HG3  LYS  16           HG2      LYS  16   3.107  -3.991   3.581
  409    HD2  LYS  16           HD3      LYS  16   3.557  -2.606   5.524
  410    HD3  LYS  16           HD2      LYS  16   3.719  -1.658   4.048
  411    HE2  LYS  16           HE3      LYS  16   2.550  -0.392   5.763
  412    HE3  LYS  16           HE2      LYS  16   1.485  -0.722   4.399
  413    HZ1  LYS  16           HZ1      LYS  16   1.524  -2.204   6.970
  414    HZ2  LYS  16           HZ2      LYS  16   0.505  -2.538   5.666
  415    HZ3  LYS  16           HZ3      LYS  16   0.360  -1.074   6.497
  416    H    ASN  17           H        ASN  17   1.513  -2.507  -0.254
  417    HA   ASN  17           HA       ASN  17  -1.045  -1.305  -0.612
  418    HB2  ASN  17           HB3      ASN  17  -0.157  -0.398  -2.732
  419    HB3  ASN  17           HB2      ASN  17   0.885  -0.077  -1.360
  420   HD21  ASN  17          HD21      ASN  17   0.707  -3.086  -3.243
  421   HD22  ASN  17          HD22      ASN  17   2.319  -2.989  -3.835
  422    H    TYR  18           H        TYR  18   0.265  -4.304  -1.543
  423    HA   TYR  18           HA       TYR  18  -1.535  -4.792  -3.725
  424    HB2  TYR  18           HB3      TYR  18   0.531  -6.040  -3.635
  425    HB3  TYR  18           HB2      TYR  18   0.142  -6.656  -2.033
  426    HD1  TYR  18           HD1      TYR  18  -1.218  -6.654  -5.516
  427    HD2  TYR  18           HD2      TYR  18  -0.776  -8.763  -1.848
  428    HE1  TYR  18           HE1      TYR  18  -2.280  -8.630  -6.527
  429    HE2  TYR  18           HE2      TYR  18  -1.834 -10.738  -2.850
  430    HH   TYR  18           HH       TYR  18  -2.402 -11.023  -6.208
  431    H    HIS  19           H        HIS  19  -1.407  -5.766  -0.303
  432    HA   HIS  19           HA       HIS  19  -3.857  -7.177  -0.326
  433    HB2  HIS  19           HB3      HIS  19  -2.196  -5.969   1.865
  434    HB3  HIS  19           HB2      HIS  19  -3.773  -6.668   2.218
  435    HD1  HIS  19           HD1      HIS  19  -3.645  -9.023   2.925
  436    HD2  HIS  19           HD2      HIS  19  -0.534  -8.021   0.360
  437    HE1  HIS  19           HE1      HIS  19  -2.238 -11.093   2.731
  438    HE2  HIS  19           HE2      HIS  19  -0.268 -10.401   1.324
  439    H    LEU  20           H        LEU  20  -3.055  -3.819   0.473
  440    HA   LEU  20           HA       LEU  20  -5.684  -3.071   1.194
  441    HB2  LEU  20           HB3      LEU  20  -3.169  -1.652   0.557
  442    HB3  LEU  20           HB2      LEU  20  -4.647  -0.736   0.361
  443    HG   LEU  20           HG       LEU  20  -3.571  -0.419   2.578
  444   HD11  LEU  20          HD11      LEU  20  -5.591  -0.589   3.868
  445   HD12  LEU  20          HD12      LEU  20  -6.257  -1.774   2.745
  446   HD13  LEU  20          HD13      LEU  20  -6.005  -0.111   2.221
  447   HD21  LEU  20          HD21      LEU  20  -3.730  -2.207   4.232
  448   HD22  LEU  20          HD22      LEU  20  -2.684  -2.668   2.889
  449   HD23  LEU  20          HD23      LEU  20  -4.326  -3.307   2.993
  450    H    GLU  21           H        GLU  21  -3.997  -3.189  -1.890
  451    HA   GLU  21           HA       GLU  21  -5.949  -1.896  -3.451
  452    HB2  GLU  21           HB3      GLU  21  -3.681  -2.483  -4.267
  453    HB3  GLU  21           HB2      GLU  21  -4.135  -4.181  -4.254
  454    HG2  GLU  21           HG3      GLU  21  -5.886  -3.696  -5.916
  455    HG3  GLU  21           HG2      GLU  21  -5.348  -2.018  -5.959
  456    H    ASN  22           H        ASN  22  -5.566  -5.236  -2.406
  457    HA   ASN  22           HA       ASN  22  -7.804  -6.300  -3.755
  458    HB2  ASN  22           HB3      ASN  22  -6.432  -7.221  -1.222
  459    HB3  ASN  22           HB2      ASN  22  -7.677  -8.138  -2.060
  460   HD21  ASN  22          HD21      ASN  22  -4.976  -8.924  -1.504
  461   HD22  ASN  22          HD22      ASN  22  -4.221  -9.224  -3.031
  462    H    GLU  23           H        GLU  23  -7.445  -4.488  -0.821
  463    HA   GLU  23           HA       GLU  23  -9.958  -5.202   0.326
  464    HB2  GLU  23           HB3      GLU  23  -8.184  -2.816   0.886
  465    HB3  GLU  23           HB2      GLU  23  -9.568  -3.326   1.875
  466    HG2  GLU  23           HG3      GLU  23  -7.015  -4.862   1.414
  467    HG3  GLU  23           HG2      GLU  23  -7.491  -4.023   2.889
  468    H    VAL  24           H        VAL  24  -8.828  -2.554  -1.733
  469    HA   VAL  24           HA       VAL  24 -11.277  -1.094  -1.594
  470    HB   VAL  24           HB       VAL  24  -9.239  -0.913  -3.829
  471   HG11  VAL  24          HG11      VAL  24 -11.404   0.237  -4.193
  472   HG12  VAL  24          HG12      VAL  24 -10.052   1.360  -4.079
  473   HG13  VAL  24          HG13      VAL  24 -11.147   1.157  -2.710
  474   HG21  VAL  24          HG21      VAL  24  -8.098  -0.703  -1.691
  475   HG22  VAL  24          HG22      VAL  24  -9.258   0.522  -1.178
  476   HG23  VAL  24          HG23      VAL  24  -8.164   0.850  -2.522
  477    H    ALA  25           H        ALA  25 -10.154  -3.792  -3.469
  478    HA   ALA  25           HA       ALA  25 -12.370  -3.709  -5.320
  479    HB1  ALA  25           HB1      ALA  25 -11.605  -5.880  -6.067
  480    HB2  ALA  25           HB2      ALA  25 -10.537  -6.014  -4.673
  481    HB3  ALA  25           HB3      ALA  25 -10.224  -4.793  -5.905
  482    H    ARG  26           H        ARG  26 -11.621  -5.111  -2.243
  483    HA   ARG  26           HA       ARG  26 -13.743  -6.932  -1.995
  484    HB2  ARG  26           HB3      ARG  26 -12.066  -7.255  -0.441
  485    HB3  ARG  26           HB2      ARG  26 -11.866  -5.541  -0.139
  486    HG2  ARG  26           HG3      ARG  26 -12.725  -6.715   1.804
  487    HG3  ARG  26           HG2      ARG  26 -13.871  -5.513   1.214
  488    HD2  ARG  26           HD2      ARG  26 -15.136  -7.308   0.095
  489    HD3  ARG  26           HD1      ARG  26 -13.986  -8.493   0.712
  490    HE   ARG  26           HE       ARG  26 -14.958  -7.072   2.893
  491   HH11  ARG  26          HH11      ARG  26 -16.213  -9.223   0.440
  492   HH12  ARG  26          HH12      ARG  26 -17.459  -9.861   1.458
  493   HH21  ARG  26          HH21      ARG  26 -16.607  -7.901   4.234
  494   HH22  ARG  26          HH22      ARG  26 -17.699  -9.097   3.615
  495    H    LEU  27           H        LEU  27 -13.456  -3.609  -0.671
  496    HA   LEU  27           HA       LEU  27 -16.140  -3.512   0.192
  497    HB2  LEU  27           HB3      LEU  27 -14.103  -1.374  -0.332
  498    HB3  LEU  27           HB2      LEU  27 -15.758  -0.962   0.063
  499    HG   LEU  27           HG       LEU  27 -15.535  -2.250   2.176
  500   HD11  LEU  27          HD11      LEU  27 -12.642  -2.394   1.369
  501   HD12  LEU  27          HD12      LEU  27 -13.744  -3.744   1.627
  502   HD13  LEU  27          HD13      LEU  27 -13.256  -2.736   2.985
  503   HD21  LEU  27          HD21      LEU  27 -13.588  -0.001   1.774
  504   HD22  LEU  27          HD22      LEU  27 -14.202  -0.567   3.328
  505   HD23  LEU  27          HD23      LEU  27 -15.304   0.152   2.151
  506    H    LYS  28           H        LYS  28 -14.670  -2.862  -2.901
  507    HA   LYS  28           HA       LYS  28 -16.675  -1.372  -4.112
  508    HB2  LYS  28           HB3      LYS  28 -14.428  -1.968  -5.086
  509    HB3  LYS  28           HB2      LYS  28 -15.082  -3.556  -5.459
  510    HG2  LYS  28           HG3      LYS  28 -15.139  -2.143  -7.415
  511    HG3  LYS  28           HG2      LYS  28 -16.782  -2.511  -6.883
  512    HD2  LYS  28           HD3      LYS  28 -16.926  -0.333  -5.788
  513    HD3  LYS  28           HD2      LYS  28 -15.273   0.035  -6.285
  514    HE2  LYS  28           HE3      LYS  28 -17.593  -0.489  -8.137
  515    HE3  LYS  28           HE2      LYS  28 -16.938   1.098  -7.737
  516    HZ1  LYS  28           HZ1      LYS  28 -16.096   0.295  -9.848
  517    HZ2  LYS  28           HZ2      LYS  28 -15.456  -1.081  -9.103
  518    HZ3  LYS  28           HZ3      LYS  28 -14.839   0.448  -8.731
  519    H    LYS  29           H        LYS  29 -16.444  -4.857  -3.604
  520    HA   LYS  29           HA       LYS  29 -18.814  -5.503  -5.027
  521    HB2  LYS  29           HB3      LYS  29 -17.291  -7.006  -2.895
  522    HB3  LYS  29           HB2      LYS  29 -18.599  -7.675  -3.852
  523    HG2  LYS  29           HG3      LYS  29 -16.028  -6.613  -4.991
  524    HG3  LYS  29           HG2      LYS  29 -16.351  -8.311  -4.655
  525    HD2  LYS  29           HD3      LYS  29 -17.922  -6.572  -6.553
  526    HD3  LYS  29           HD2      LYS  29 -16.697  -7.752  -7.019
  527    HE2  LYS  29           HE3      LYS  29 -19.304  -8.334  -5.612
  528    HE3  LYS  29           HE2      LYS  29 -18.921  -8.686  -7.296
  529    HZ1  LYS  29           HZ1      LYS  29 -18.688 -10.659  -5.962
  530    HZ2  LYS  29           HZ2      LYS  29 -17.615  -9.887  -4.915
  531    HZ3  LYS  29           HZ3      LYS  29 -17.163 -10.183  -6.516
  532    H    LEU  30           H        LEU  30 -18.068  -4.614  -1.719
  533    HA   LEU  30           HA       LEU  30 -20.584  -5.310  -0.598
  534    HB2  LEU  30           HB3      LEU  30 -18.546  -3.281   0.322
  535    HB3  LEU  30           HB2      LEU  30 -19.908  -3.841   1.272
  536    HG   LEU  30           HG       LEU  30 -17.592  -5.543   0.342
  537   HD11  LEU  30          HD11      LEU  30 -16.974  -3.971   2.099
  538   HD12  LEU  30          HD12      LEU  30 -17.007  -5.625   2.710
  539   HD13  LEU  30          HD13      LEU  30 -18.331  -4.522   3.081
  540   HD21  LEU  30          HD21      LEU  30 -18.574  -7.269   1.783
  541   HD22  LEU  30          HD22      LEU  30 -19.650  -6.832   0.456
  542   HD23  LEU  30          HD23      LEU  30 -19.962  -6.223   2.081
  543    H    VAL  31           H        VAL  31 -19.390  -2.535  -2.323
  544    HA   VAL  31           HA       VAL  31 -21.640  -0.858  -1.696
  545    HB   VAL  31           HB       VAL  31 -19.599  -0.557  -3.919
  546   HG11  VAL  31          HG11      VAL  31 -20.272   1.788  -3.949
  547   HG12  VAL  31          HG12      VAL  31 -21.487   1.465  -2.713
  548   HG13  VAL  31          HG13      VAL  31 -21.638   0.735  -4.313
  549   HG21  VAL  31          HG21      VAL  31 -18.491   1.039  -2.431
  550   HG22  VAL  31          HG22      VAL  31 -18.527  -0.581  -1.736
  551   HG23  VAL  31          HG23      VAL  31 -19.647   0.651  -1.158
  552    H    GLY  32           H        GLY  32 -20.874  -3.293  -4.024
  553    HA2  GLY  32           HA3      GLY  32 -23.027  -2.518  -5.825
  554    HA3  GLY  32           HA2      GLY  32 -21.892  -3.838  -6.061
  555    H    GLU  33           H        GLU  33 -22.155  -5.440  -3.967
  556    HA   GLU  33           HA       GLU  33 -24.952  -5.953  -3.426
  557    HB2  GLU  33           HB3      GLU  33 -24.644  -6.950  -5.661
  558    HB3  GLU  33           HB2      GLU  33 -23.308  -7.909  -5.046
  559    HG2  GLU  33           HG3      GLU  33 -24.828  -9.078  -3.540
  560    HG3  GLU  33           HG2      GLU  33 -26.171  -8.104  -4.137
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  21.692   5.319 -11.298
    2    H2   GLY   1           H2       GLY   1  21.908   6.925 -10.818
    3    H3   GLY   1           H3       GLY   1  20.407   6.174 -10.610
    4    HA2  GLY   1           HA2      GLY   1  22.920   5.411  -9.233
    5    HA3  GLY   1           HA3      GLY   1  21.605   6.327  -8.514
    6    H    SER   2           H        SER   2  21.656   4.536  -6.934
    7    HA   SER   2           HA       SER   2  19.735   2.508  -7.741
    8    HB2  SER   2           HB3      SER   2  21.994   1.495  -8.107
    9    HB3  SER   2           HB2      SER   2  22.335   1.734  -6.394
   10    HG   SER   2           HG       SER   2  21.290  -0.036  -6.013
   11    H    MET   3           H        MET   3  21.864   3.351  -4.992
   12    HA   MET   3           HA       MET   3  20.150   2.486  -2.977
   13    HB2  MET   3           HB3      MET   3  22.423   2.897  -2.429
   14    HB3  MET   3           HB2      MET   3  22.338   4.557  -2.998
   15    HG2  MET   3           HG3      MET   3  22.408   4.375  -0.548
   16    HG3  MET   3           HG2      MET   3  20.960   5.185  -1.137
   17    HE1  MET   3           HE1      MET   3  21.030   0.850   0.449
   18    HE2  MET   3           HE2      MET   3  22.438   1.914   0.451
   19    HE3  MET   3           HE3      MET   3  21.778   1.328  -1.077
   20    H    LYS   4           H        LYS   4  20.573   5.790  -4.242
   21    HA   LYS   4           HA       LYS   4  18.675   6.966  -2.520
   22    HB2  LYS   4           HB3      LYS   4  19.807   7.846  -5.170
   23    HB3  LYS   4           HB2      LYS   4  18.658   8.819  -4.266
   24    HG2  LYS   4           HG3      LYS   4  20.205   8.934  -2.389
   25    HG3  LYS   4           HG2      LYS   4  21.358   7.930  -3.267
   26    HD2  LYS   4           HD3      LYS   4  21.973  10.277  -3.428
   27    HD3  LYS   4           HD2      LYS   4  21.515   9.648  -5.011
   28    HE2  LYS   4           HE3      LYS   4  20.577  11.866  -4.650
   29    HE3  LYS   4           HE2      LYS   4  19.301  10.658  -4.772
   30    HZ1  LYS   4           HZ1      LYS   4  19.111  10.662  -2.366
   31    HZ2  LYS   4           HZ2      LYS   4  18.892  12.223  -2.975
   32    HZ3  LYS   4           HZ3      LYS   4  20.354  11.801  -2.240
   33    H    GLN   5           H        GLN   5  18.394   5.530  -5.709
   34    HA   GLN   5           HA       GLN   5  15.714   6.359  -6.172
   35    HB2  GLN   5           HB3      GLN   5  17.353   4.133  -7.388
   36    HB3  GLN   5           HB2      GLN   5  15.760   4.613  -7.960
   37    HG2  GLN   5           HG3      GLN   5  16.586   6.809  -8.527
   38    HG3  GLN   5           HG2      GLN   5  18.169   6.411  -7.863
   39   HE21  GLN   5          HE21      GLN   5  16.280   4.112  -9.670
   40   HE22  GLN   5          HE22      GLN   5  17.293   4.088 -11.071
   41    H    LEU   6           H        LEU   6  17.193   3.401  -4.912
   42    HA   LEU   6           HA       LEU   6  14.813   1.894  -4.746
   43    HB2  LEU   6           HB3      LEU   6  17.264   1.121  -4.655
   44    HB3  LEU   6           HB2      LEU   6  17.211   1.545  -2.958
   45    HG   LEU   6           HG       LEU   6  16.866  -0.912  -3.600
   46   HD11  LEU   6          HD11      LEU   6  15.224  -1.263  -1.823
   47   HD12  LEU   6          HD12      LEU   6  14.847   0.459  -1.839
   48   HD13  LEU   6          HD13      LEU   6  16.456  -0.088  -1.366
   49   HD21  LEU   6          HD21      LEU   6  14.100   0.101  -4.241
   50   HD22  LEU   6          HD22      LEU   6  14.625  -1.582  -4.202
   51   HD23  LEU   6          HD23      LEU   6  15.268  -0.486  -5.424
   52    H    GLU   7           H        GLU   7  16.439   4.069  -2.489
   53    HA   GLU   7           HA       GLU   7  14.709   3.608  -0.295
   54    HB2  GLU   7           HB3      GLU   7  16.388   6.014  -1.002
   55    HB3  GLU   7           HB2      GLU   7  15.541   5.819   0.526
   56    HG2  GLU   7           HG3      GLU   7  16.854   3.806   0.987
   57    HG3  GLU   7           HG2      GLU   7  17.715   4.030  -0.535
   58    H    ASP   8           H        ASP   8  14.451   5.596  -3.150
   59    HA   ASP   8           HA       ASP   8  12.170   7.057  -2.192
   60    HB2  ASP   8           HB3      ASP   8  13.605   6.845  -4.795
   61    HB3  ASP   8           HB2      ASP   8  11.941   7.418  -4.817
   62    H    LYS   9           H        LYS   9  12.726   4.049  -3.852
   63    HA   LYS   9           HA       LYS   9  10.105   3.649  -4.837
   64    HB2  LYS   9           HB3      LYS   9  12.153   1.568  -4.042
   65    HB3  LYS   9           HB2      LYS   9  10.737   1.287  -5.045
   66    HG2  LYS   9           HG3      LYS   9  13.043   3.092  -5.745
   67    HG3  LYS   9           HG2      LYS   9  12.792   1.459  -6.360
   68    HD2  LYS   9           HD3      LYS   9  10.749   2.141  -7.453
   69    HD3  LYS   9           HD2      LYS   9  10.871   3.752  -6.745
   70    HE2  LYS   9           HE3      LYS   9  11.605   3.757  -9.071
   71    HE3  LYS   9           HE2      LYS   9  12.932   4.153  -7.981
   72    HZ1  LYS   9           HZ1      LYS   9  13.760   1.914  -8.194
   73    HZ2  LYS   9           HZ2      LYS   9  13.591   2.597  -9.729
   74    HZ3  LYS   9           HZ3      LYS   9  12.456   1.476  -9.176
   75    H    VAL  10           H        VAL  10  11.687   2.692  -1.807
   76    HA   VAL  10           HA       VAL  10   9.457   1.265  -0.797
   77    HB   VAL  10           HB       VAL  10  11.722   0.880   0.059
   78   HG11  VAL  10          HG11      VAL  10  12.762   2.436   1.627
   79   HG12  VAL  10          HG12      VAL  10  11.470   3.598   1.329
   80   HG13  VAL  10          HG13      VAL  10  12.572   3.153   0.027
   81   HG21  VAL  10          HG21      VAL  10   9.829   0.230   1.436
   82   HG22  VAL  10          HG22      VAL  10   9.804   1.828   2.180
   83   HG23  VAL  10          HG23      VAL  10  11.178   0.755   2.441
   84    H    GLU  11           H        GLU  11  10.434   4.643  -0.601
   85    HA   GLU  11           HA       GLU  11   8.366   5.382   1.245
   86    HB2  GLU  11           HB3      GLU  11  10.015   7.049  -0.667
   87    HB3  GLU  11           HB2      GLU  11   8.923   7.708   0.543
   88    HG2  GLU  11           HG3      GLU  11  10.254   6.709   2.314
   89    HG3  GLU  11           HG2      GLU  11  11.333   5.999   1.114
   90    H    GLU  12           H        GLU  12   8.734   5.385  -2.270
   91    HA   GLU  12           HA       GLU  12   6.326   6.604  -2.950
   92    HB2  GLU  12           HB3      GLU  12   8.140   6.029  -4.551
   93    HB3  GLU  12           HB2      GLU  12   7.670   4.340  -4.433
   94    HG2  GLU  12           HG3      GLU  12   5.507   4.830  -5.379
   95    HG3  GLU  12           HG2      GLU  12   5.876   6.553  -5.398
   96    H    LEU  13           H        LEU  13   6.956   3.090  -2.549
   97    HA   LEU  13           HA       LEU  13   4.222   2.411  -2.784
   98    HB2  LEU  13           HB3      LEU  13   6.543   0.900  -1.615
   99    HB3  LEU  13           HB2      LEU  13   4.918   0.241  -1.703
  100    HG   LEU  13           HG       LEU  13   5.911   1.390  -4.206
  101   HD11  LEU  13          HD11      LEU  13   7.280  -0.588  -4.741
  102   HD12  LEU  13          HD12      LEU  13   7.092  -1.163  -3.084
  103   HD13  LEU  13          HD13      LEU  13   7.968   0.334  -3.405
  104   HD21  LEU  13          HD21      LEU  13   4.839  -0.597  -5.126
  105   HD22  LEU  13          HD22      LEU  13   3.763   0.243  -4.008
  106   HD23  LEU  13          HD23      LEU  13   4.591  -1.226  -3.499
  107    H    LEU  14           H        LEU  14   6.134   3.368  -0.001
  108    HA   LEU  14           HA       LEU  14   4.231   2.760   1.958
  109    HB2  LEU  14           HB3      LEU  14   6.511   3.397   2.506
  110    HB3  LEU  14           HB2      LEU  14   6.278   4.983   1.817
  111    HG   LEU  14           HG       LEU  14   6.303   4.775   4.349
  112   HD11  LEU  14          HD11      LEU  14   5.595   6.788   3.206
  113   HD12  LEU  14          HD12      LEU  14   4.616   6.501   4.647
  114   HD13  LEU  14          HD13      LEU  14   3.961   6.139   3.050
  115   HD21  LEU  14          HD21      LEU  14   4.845   2.811   4.526
  116   HD22  LEU  14          HD22      LEU  14   3.503   3.760   3.887
  117   HD23  LEU  14          HD23      LEU  14   4.217   4.181   5.442
  118    H    SER  15           H        SER  15   4.658   5.647  -0.085
  119    HA   SER  15           HA       SER  15   2.292   6.881   0.897
  120    HB2  SER  15           HB3      SER  15   2.538   8.365  -1.147
  121    HB3  SER  15           HB2      SER  15   3.893   8.359  -0.023
  122    HG   SER  15           HG       SER  15   4.064   6.470  -2.024
  123    H    LYS  16           H        LYS  16   2.957   4.681  -1.841
  124    HA   LYS  16           HA       LYS  16   0.423   4.867  -3.034
  125    HB2  LYS  16           HB3      LYS  16   2.323   2.539  -2.789
  126    HB3  LYS  16           HB2      LYS  16   0.828   2.448  -3.703
  127    HG2  LYS  16           HG3      LYS  16   1.586   4.264  -5.143
  128    HG3  LYS  16           HG2      LYS  16   3.088   4.368  -4.224
  129    HD2  LYS  16           HD3      LYS  16   3.353   3.104  -6.321
  130    HD3  LYS  16           HD2      LYS  16   3.692   2.120  -4.898
  131    HE2  LYS  16           HE3      LYS  16   1.591   1.008  -5.067
  132    HE3  LYS  16           HE2      LYS  16   1.023   2.138  -6.296
  133    HZ1  LYS  16           HZ1      LYS  16   3.286   0.250  -6.646
  134    HZ2  LYS  16           HZ2      LYS  16   2.641   1.271  -7.827
  135    HZ3  LYS  16           HZ3      LYS  16   1.718  -0.008  -7.221
  136    H    ASN  17           H        ASN  17   1.537   2.623  -0.505
  137    HA   ASN  17           HA       ASN  17  -0.900   1.385   0.031
  138    HB2  ASN  17           HB3      ASN  17   1.261   0.576   0.877
  139    HB3  ASN  17           HB2      ASN  17   1.390   1.986   1.921
  140   HD21  ASN  17          HD21      ASN  17   0.114   2.109   3.768
  141   HD22  ASN  17          HD22      ASN  17  -0.706   0.732   4.410
  142    H    TYR  18           H        TYR  18   0.497   4.350   1.362
  143    HA   TYR  18           HA       TYR  18  -1.444   4.792   3.346
  144    HB2  TYR  18           HB3      TYR  18   0.765   5.924   3.259
  145    HB3  TYR  18           HB2      TYR  18   0.203   6.862   1.880
  146    HD1  TYR  18           HD1      TYR  18  -0.425   6.198   5.473
  147    HD2  TYR  18           HD2      TYR  18  -1.040   8.839   2.196
  148    HE1  TYR  18           HE1      TYR  18  -1.345   7.882   7.010
  149    HE2  TYR  18           HE2      TYR  18  -1.960  10.529   3.725
  150    HH   TYR  18           HH       TYR  18  -3.012  10.640   5.915
  151    H    HIS  19           H        HIS  19  -1.196   6.027   0.015
  152    HA   HIS  19           HA       HIS  19  -3.624   7.518   0.152
  153    HB2  HIS  19           HB3      HIS  19  -2.104   6.494  -2.257
  154    HB3  HIS  19           HB2      HIS  19  -3.436   7.642  -2.321
  155    HD1  HIS  19           HD1      HIS  19  -0.309   8.042  -3.137
  156    HD2  HIS  19           HD2      HIS  19  -2.303   9.568   0.176
  157    HE1  HIS  19           HE1      HIS  19   1.001  10.070  -2.432
  158    HE2  HIS  19           HE2      HIS  19  -0.118  10.856  -0.314
  159    H    LEU  20           H        LEU  20  -2.806   4.246  -0.706
  160    HA   LEU  20           HA       LEU  20  -5.282   3.577  -1.917
  161    HB2  LEU  20           HB3      LEU  20  -3.151   2.428  -2.336
  162    HB3  LEU  20           HB2      LEU  20  -3.140   1.857  -0.681
  163    HG   LEU  20           HG       LEU  20  -5.165   0.555  -1.134
  164   HD11  LEU  20          HD11      LEU  20  -4.769   1.506  -3.966
  165   HD12  LEU  20          HD12      LEU  20  -6.137   1.882  -2.917
  166   HD13  LEU  20          HD13      LEU  20  -5.876   0.228  -3.468
  167   HD21  LEU  20          HD21      LEU  20  -2.911  -0.393  -1.354
  168   HD22  LEU  20          HD22      LEU  20  -2.919   0.033  -3.065
  169   HD23  LEU  20          HD23      LEU  20  -4.065  -1.151  -2.445
  170    H    GLU  21           H        GLU  21  -3.968   3.430   1.344
  171    HA   GLU  21           HA       GLU  21  -6.116   2.032   2.549
  172    HB2  GLU  21           HB3      GLU  21  -3.895   2.442   3.609
  173    HB3  GLU  21           HB2      GLU  21  -4.325   4.138   3.782
  174    HG2  GLU  21           HG3      GLU  21  -6.159   3.542   5.252
  175    HG3  GLU  21           HG2      GLU  21  -5.789   1.833   5.046
  176    H    ASN  22           H        ASN  22  -5.603   5.385   1.710
  177    HA   ASN  22           HA       ASN  22  -7.909   6.447   2.951
  178    HB2  ASN  22           HB3      ASN  22  -6.069   7.355   0.784
  179    HB3  ASN  22           HB2      ASN  22  -7.611   8.184   0.978
  180   HD21  ASN  22          HD21      ASN  22  -4.543   7.438   2.485
  181   HD22  ASN  22          HD22      ASN  22  -4.635   8.661   3.702
  182    H    GLU  23           H        GLU  23  -7.359   4.660   0.058
  183    HA   GLU  23           HA       GLU  23  -9.794   5.385  -1.262
  184    HB2  GLU  23           HB3      GLU  23  -7.715   4.665  -2.451
  185    HB3  GLU  23           HB2      GLU  23  -7.969   3.030  -1.804
  186    HG2  GLU  23           HG3      GLU  23 -10.034   2.831  -3.028
  187    HG3  GLU  23           HG2      GLU  23  -9.906   4.498  -3.589
  188    H    VAL  24           H        VAL  24  -8.741   2.796   0.876
  189    HA   VAL  24           HA       VAL  24 -11.096   1.216   0.599
  190    HB   VAL  24           HB       VAL  24  -9.338   1.355   3.056
  191   HG11  VAL  24          HG11      VAL  24 -11.463   0.160   3.331
  192   HG12  VAL  24          HG12      VAL  24 -10.086  -0.935   3.429
  193   HG13  VAL  24          HG13      VAL  24 -11.059  -0.876   1.958
  194   HG21  VAL  24          HG21      VAL  24  -7.969   0.970   1.043
  195   HG22  VAL  24          HG22      VAL  24  -8.978  -0.422   0.647
  196   HG23  VAL  24          HG23      VAL  24  -8.002  -0.429   2.114
  197    H    ALA  25           H        ALA  25 -10.140   3.918   2.611
  198    HA   ALA  25           HA       ALA  25 -12.222   3.756   4.500
  199    HB1  ALA  25           HB1      ALA  25 -10.140   5.055   4.820
  200    HB2  ALA  25           HB2      ALA  25 -11.603   5.971   5.175
  201    HB3  ALA  25           HB3      ALA  25 -10.744   6.238   3.660
  202    H    ARG  26           H        ARG  26 -11.955   5.600   1.461
  203    HA   ARG  26           HA       ARG  26 -14.363   6.998   1.760
  204    HB2  ARG  26           HB3      ARG  26 -14.253   7.155  -0.780
  205    HB3  ARG  26           HB2      ARG  26 -12.934   7.857   0.133
  206    HG2  ARG  26           HG3      ARG  26 -11.610   5.819  -0.323
  207    HG3  ARG  26           HG2      ARG  26 -12.925   5.226  -1.342
  208    HD2  ARG  26           HD2      ARG  26 -11.213   6.282  -2.698
  209    HD3  ARG  26           HD1      ARG  26 -12.703   7.223  -2.753
  210    HE   ARG  26           HE       ARG  26 -11.147   8.281  -0.709
  211   HH11  ARG  26          HH11      ARG  26 -10.970   7.922  -4.185
  212   HH12  ARG  26          HH12      ARG  26  -9.999   9.342  -4.408
  213   HH21  ARG  26          HH21      ARG  26  -9.886  10.141  -0.992
  214   HH22  ARG  26          HH22      ARG  26  -9.375  10.606  -2.585
  215    H    LEU  27           H        LEU  27 -13.685   3.879   0.212
  216    HA   LEU  27           HA       LEU  27 -16.312   3.372  -0.645
  217    HB2  LEU  27           HB3      LEU  27 -13.979   1.622  -0.000
  218    HB3  LEU  27           HB2      LEU  27 -15.551   0.895  -0.239
  219    HG   LEU  27           HG       LEU  27 -15.666   1.819  -2.496
  220   HD11  LEU  27          HD11      LEU  27 -13.647   2.814  -3.510
  221   HD12  LEU  27          HD12      LEU  27 -12.921   2.896  -1.903
  222   HD13  LEU  27          HD13      LEU  27 -14.373   3.830  -2.262
  223   HD21  LEU  27          HD21      LEU  27 -14.769  -0.378  -2.240
  224   HD22  LEU  27          HD22      LEU  27 -13.170   0.271  -1.873
  225   HD23  LEU  27          HD23      LEU  27 -13.857   0.473  -3.486
  226    H    LYS  28           H        LYS  28 -14.728   2.841   2.464
  227    HA   LYS  28           HA       LYS  28 -16.774   1.380   3.695
  228    HB2  LYS  28           HB3      LYS  28 -14.713   3.245   4.859
  229    HB3  LYS  28           HB2      LYS  28 -15.821   2.300   5.847
  230    HG2  LYS  28           HG3      LYS  28 -14.940   0.242   4.889
  231    HG3  LYS  28           HG2      LYS  28 -13.848   1.180   3.872
  232    HD2  LYS  28           HD3      LYS  28 -12.698   0.274   5.819
  233    HD3  LYS  28           HD2      LYS  28 -12.722   2.041   5.856
  234    HE2  LYS  28           HE3      LYS  28 -14.620   1.964   7.417
  235    HE3  LYS  28           HE2      LYS  28 -14.560   0.204   7.391
  236    HZ1  LYS  28           HZ1      LYS  28 -12.329   0.310   8.317
  237    HZ2  LYS  28           HZ2      LYS  28 -13.437   1.084   9.328
  238    HZ3  LYS  28           HZ3      LYS  28 -12.400   1.998   8.355
  239    H    LYS  29           H        LYS  29 -16.546   4.833   3.077
  240    HA   LYS  29           HA       LYS  29 -18.740   5.514   4.771
  241    HB2  LYS  29           HB3      LYS  29 -17.271   6.926   2.577
  242    HB3  LYS  29           HB2      LYS  29 -18.800   7.556   3.152
  243    HG2  LYS  29           HG3      LYS  29 -16.991   8.685   4.252
  244    HG3  LYS  29           HG2      LYS  29 -17.874   7.707   5.422
  245    HD2  LYS  29           HD3      LYS  29 -16.157   6.000   5.330
  246    HD3  LYS  29           HD2      LYS  29 -15.300   6.899   4.074
  247    HE2  LYS  29           HE3      LYS  29 -15.792   7.821   6.903
  248    HE3  LYS  29           HE2      LYS  29 -14.261   7.236   6.253
  249    HZ1  LYS  29           HZ1      LYS  29 -14.259   9.109   4.714
  250    HZ2  LYS  29           HZ2      LYS  29 -14.309   9.637   6.317
  251    HZ3  LYS  29           HZ3      LYS  29 -15.710   9.672   5.375
  252    H    LEU  30           H        LEU  30 -18.386   4.324   1.533
  253    HA   LEU  30           HA       LEU  30 -21.126   4.835   0.803
  254    HB2  LEU  30           HB3      LEU  30 -18.817   3.425  -0.447
  255    HB3  LEU  30           HB2      LEU  30 -20.427   3.069  -1.034
  256    HG   LEU  30           HG       LEU  30 -19.255   4.748  -2.407
  257   HD11  LEU  30          HD11      LEU  30 -21.060   6.291  -2.619
  258   HD12  LEU  30          HD12      LEU  30 -21.602   5.973  -0.975
  259   HD13  LEU  30          HD13      LEU  30 -21.734   4.716  -2.205
  260   HD21  LEU  30          HD21      LEU  30 -19.376   6.459   0.070
  261   HD22  LEU  30          HD22      LEU  30 -18.903   7.007  -1.537
  262   HD23  LEU  30          HD23      LEU  30 -17.917   5.817  -0.687
  263    H    VAL  31           H        VAL  31 -19.306   2.216   2.221
  264    HA   VAL  31           HA       VAL  31 -21.506   0.346   1.952
  265    HB   VAL  31           HB       VAL  31 -18.932  -0.034   3.502
  266   HG11  VAL  31          HG11      VAL  31 -20.909  -2.042   2.426
  267   HG12  VAL  31          HG12      VAL  31 -20.715  -1.587   4.119
  268   HG13  VAL  31          HG13      VAL  31 -19.408  -2.413   3.272
  269   HG21  VAL  31          HG21      VAL  31 -19.570  -0.803   0.658
  270   HG22  VAL  31          HG22      VAL  31 -18.107  -1.237   1.544
  271   HG23  VAL  31          HG23      VAL  31 -18.442   0.453   1.167
  272    H    GLY  32           H        GLY  32 -20.191   2.494   4.391
  273    HA2  GLY  32           HA3      GLY  32 -22.233   1.499   6.268
  274    HA3  GLY  32           HA2      GLY  32 -20.579   1.750   6.798
  275    H    GLU  33           H        GLU  33 -20.069   4.182   5.430
  276    HA   GLU  33           HA       GLU  33 -20.246   6.422   5.688
  277    HB2  GLU  33           HB3      GLU  33 -22.503   6.129   4.737
  278    HB3  GLU  33           HB2      GLU  33 -23.144   5.870   6.353
  279    HG2  GLU  33           HG3      GLU  33 -22.540   8.128   6.985
  280    HG3  GLU  33           HG2      GLU  33 -21.815   8.397   5.400
  281    H1   GLY   1           H1       GLY   1  21.731  -5.569  10.608
  282    H2   GLY   1           H2       GLY   1  21.944  -7.171  10.117
  283    H3   GLY   1           H3       GLY   1  20.441  -6.417   9.918
  284    HA2  GLY   1           HA2      GLY   1  22.953  -5.651   8.540
  285    HA3  GLY   1           HA3      GLY   1  21.633  -6.561   7.819
  286    H    SER   2           H        SER   2  21.687  -4.760   6.247
  287    HA   SER   2           HA       SER   2  19.765  -2.738   7.073
  288    HB2  SER   2           HB3      SER   2  22.022  -1.725   7.439
  289    HB3  SER   2           HB2      SER   2  22.359  -1.950   5.724
  290    HG   SER   2           HG       SER   2  21.331  -0.164   5.377
  291    H    MET   3           H        MET   3  21.883  -3.567   4.313
  292    HA   MET   3           HA       MET   3  20.162  -2.683   2.312
  293    HB2  MET   3           HB3      MET   3  22.433  -3.094   1.754
  294    HB3  MET   3           HB2      MET   3  22.345  -4.759   2.305
  295    HG2  MET   3           HG3      MET   3  22.406  -4.550  -0.144
  296    HG3  MET   3           HG2      MET   3  20.959  -5.365   0.444
  297    HE1  MET   3           HE1      MET   3  21.033  -1.019  -1.112
  298    HE2  MET   3           HE2      MET   3  22.436  -2.089  -1.127
  299    HE3  MET   3           HE3      MET   3  21.787  -1.505   0.407
  300    H    LYS   4           H        LYS   4  20.578  -5.999   3.553
  301    HA   LYS   4           HA       LYS   4  18.673  -7.154   1.820
  302    HB2  LYS   4           HB3      LYS   4  19.802  -8.062   4.460
  303    HB3  LYS   4           HB2      LYS   4  18.654  -9.026   3.544
  304    HG2  LYS   4           HG3      LYS   4  20.209  -9.122   1.671
  305    HG3  LYS   4           HG2      LYS   4  21.359  -8.125   2.560
  306    HD2  LYS   4           HD3      LYS   4  21.973 -10.472   2.700
  307    HD3  LYS   4           HD2      LYS   4  21.517  -9.857   4.288
  308    HE2  LYS   4           HE3      LYS   4  20.576 -12.070   3.909
  309    HE3  LYS   4           HE2      LYS   4  19.302 -10.863   4.044
  310    HZ1  LYS   4           HZ1      LYS   4  19.111 -10.844   1.637
  311    HZ2  LYS   4           HZ2      LYS   4  18.893 -12.410   2.231
  312    HZ3  LYS   4           HZ3      LYS   4  20.352 -11.984   1.502
  313    H    GLN   5           H        GLN   5  18.410  -5.740   5.020
  314    HA   GLN   5           HA       GLN   5  15.730  -6.565   5.492
  315    HB2  GLN   5           HB3      GLN   5  17.379  -4.353   6.722
  316    HB3  GLN   5           HB2      GLN   5  15.789  -4.837   7.295
  317    HG2  GLN   5           HG3      GLN   5  16.613  -7.039   7.841
  318    HG3  GLN   5           HG2      GLN   5  18.193  -6.640   7.169
  319   HE21  GLN   5          HE21      GLN   5  16.318  -4.350   9.008
  320   HE22  GLN   5          HE22      GLN   5  17.346  -4.336  10.399
  321    H    LEU   6           H        LEU   6  17.211  -3.603   4.247
  322    HA   LEU   6           HA       LEU   6  14.831  -2.092   4.104
  323    HB2  LEU   6           HB3      LEU   6  17.283  -1.323   4.005
  324    HB3  LEU   6           HB2      LEU   6  17.219  -1.731   2.306
  325    HG   LEU   6           HG       LEU   6  16.879   0.718   2.974
  326   HD11  LEU   6          HD11      LEU   6  15.231   1.087   1.205
  327   HD12  LEU   6          HD12      LEU   6  14.853  -0.636   1.207
  328   HD13  LEU   6          HD13      LEU   6  16.460  -0.086   0.732
  329   HD21  LEU   6          HD21      LEU   6  14.114  -0.297   3.609
  330   HD22  LEU   6          HD22      LEU   6  14.640   1.386   3.586
  331   HD23  LEU   6          HD23      LEU   6  15.284   0.277   4.796
  332    H    GLU   7           H        GLU   7  16.443  -4.253   1.827
  333    HA   GLU   7           HA       GLU   7  14.708  -3.773  -0.359
  334    HB2  GLU   7           HB3      GLU   7  16.387  -6.186   0.325
  335    HB3  GLU   7           HB2      GLU   7  15.537  -5.974  -1.198
  336    HG2  GLU   7           HG3      GLU   7  16.848  -3.962  -1.646
  337    HG3  GLU   7           HG2      GLU   7  17.712  -4.195  -0.127
  338    H    ASP   8           H        ASP   8  14.465  -5.790   2.480
  339    HA   ASP   8           HA       ASP   8  12.175  -7.238   1.525
  340    HB2  ASP   8           HB3      ASP   8  13.619  -7.046   4.126
  341    HB3  ASP   8           HB2      ASP   8  11.956  -7.626   4.146
  342    H    LYS   9           H        LYS   9  12.743  -4.241   3.195
  343    HA   LYS   9           HA       LYS   9  10.127  -3.847   4.204
  344    HB2  LYS   9           HB3      LYS   9  12.174  -1.762   3.415
  345    HB3  LYS   9           HB2      LYS   9  10.761  -1.487   4.425
  346    HG2  LYS   9           HG3      LYS   9  13.069  -3.298   5.105
  347    HG3  LYS   9           HG2      LYS   9  12.820  -1.669   5.733
  348    HD2  LYS   9           HD3      LYS   9  10.781  -2.360   6.829
  349    HD3  LYS   9           HD2      LYS   9  10.898  -3.965   6.106
  350    HE2  LYS   9           HE3      LYS   9  11.643  -3.990   8.428
  351    HE3  LYS   9           HE2      LYS   9  12.966  -4.376   7.330
  352    HZ1  LYS   9           HZ1      LYS   9  13.799  -2.141   7.569
  353    HZ2  LYS   9           HZ2      LYS   9  13.627  -2.841   9.097
  354    HZ3  LYS   9           HZ3      LYS   9  12.492  -1.711   8.553
  355    H    VAL  10           H        VAL  10  11.692  -2.874   1.169
  356    HA   VAL  10           HA       VAL  10   9.458  -1.431   0.185
  357    HB   VAL  10           HB       VAL  10  11.719  -1.044  -0.679
  358   HG11  VAL  10          HG11      VAL  10  12.749  -2.587  -2.267
  359   HG12  VAL  10          HG12      VAL  10  11.456  -3.750  -1.971
  360   HG13  VAL  10          HG13      VAL  10  12.568  -3.316  -0.672
  361   HG21  VAL  10          HG21      VAL  10   9.823  -0.378  -2.043
  362   HG22  VAL  10          HG22      VAL  10   9.790  -1.969  -2.799
  363   HG23  VAL  10          HG23      VAL  10  11.167  -0.898  -3.056
  364    H    GLU  11           H        GLU  11  10.435  -4.803  -0.046
  365    HA   GLU  11           HA       GLU  11   8.359  -5.530  -1.886
  366    HB2  GLU  11           HB3      GLU  11  10.014  -7.212   0.005
  367    HB3  GLU  11           HB2      GLU  11   8.918  -7.859  -1.208
  368    HG2  GLU  11           HG3      GLU  11  10.243  -6.842  -2.973
  369    HG3  GLU  11           HG2      GLU  11  11.330  -6.151  -1.770
  370    H    GLU  12           H        GLU  12   8.735  -5.557   1.628
  371    HA   GLU  12           HA       GLU  12   6.331  -6.785   2.313
  372    HB2  GLU  12           HB3      GLU  12   8.153  -6.220   3.909
  373    HB3  GLU  12           HB2      GLU  12   7.683  -4.529   3.804
  374    HG2  GLU  12           HG3      GLU  12   5.525  -5.027   4.760
  375    HG3  GLU  12           HG2      GLU  12   5.896  -6.750   4.771
  376    H    LEU  13           H        LEU  13   6.960  -3.270   1.933
  377    HA   LEU  13           HA       LEU  13   4.229  -2.585   2.185
  378    HB2  LEU  13           HB3      LEU  13   6.549  -1.070   1.017
  379    HB3  LEU  13           HB2      LEU  13   4.925  -0.408   1.115
  380    HG   LEU  13           HG       LEU  13   5.928  -1.575   3.605
  381   HD11  LEU  13          HD11      LEU  13   7.304   0.402   4.146
  382   HD12  LEU  13          HD12      LEU  13   7.107   0.982   2.493
  383   HD13  LEU  13          HD13      LEU  13   7.983  -0.517   2.803
  384   HD21  LEU  13          HD21      LEU  13   4.862   0.407   4.543
  385   HD22  LEU  13          HD22      LEU  13   3.781  -0.425   3.425
  386   HD23  LEU  13          HD23      LEU  13   4.607   1.048   2.922
  387    H    LEU  14           H        LEU  14   6.130  -3.522  -0.614
  388    HA   LEU  14           HA       LEU  14   4.220  -2.898  -2.560
  389    HB2  LEU  14           HB3      LEU  14   6.496  -3.538  -3.121
  390    HB3  LEU  14           HB2      LEU  14   6.260  -5.128  -2.446
  391    HG   LEU  14           HG       LEU  14   6.278  -4.898  -4.974
  392   HD11  LEU  14          HD11      LEU  14   5.573  -6.914  -3.844
  393   HD12  LEU  14          HD12      LEU  14   4.589  -6.618  -5.279
  394   HD13  LEU  14          HD13      LEU  14   3.941  -6.266  -3.675
  395   HD21  LEU  14          HD21      LEU  14   4.823  -2.935  -5.137
  396   HD22  LEU  14          HD22      LEU  14   3.481  -3.883  -4.497
  397   HD23  LEU  14          HD23      LEU  14   4.189  -4.298  -6.057
  398    H    SER  15           H        SER  15   4.649  -5.800  -0.539
  399    HA   SER  15           HA       SER  15   2.279  -7.020  -1.524
  400    HB2  SER  15           HB3      SER  15   2.525  -8.521   0.508
  401    HB3  SER  15           HB2      SER  15   3.872  -8.511  -0.623
  402    HG   SER  15           HG       SER  15   4.072  -6.645   1.393
  403    H    LYS  16           H        LYS  16   2.954  -4.849   1.235
  404    HA   LYS  16           HA       LYS  16   0.427  -5.036   2.436
  405    HB2  LYS  16           HB3      LYS  16   2.329  -2.710   2.194
  406    HB3  LYS  16           HB2      LYS  16   0.839  -2.622   3.118
  407    HG2  LYS  16           HG3      LYS  16   1.602  -4.451   4.539
  408    HG3  LYS  16           HG2      LYS  16   3.097  -4.551   3.609
  409    HD2  LYS  16           HD3      LYS  16   3.380  -3.305   5.713
  410    HD3  LYS  16           HD2      LYS  16   3.711  -2.310   4.297
  411    HE2  LYS  16           HE3      LYS  16   1.617  -1.192   4.492
  412    HE3  LYS  16           HE2      LYS  16   1.052  -2.335   5.713
  413    HZ1  LYS  16           HZ1      LYS  16   3.325  -0.459   6.066
  414    HZ2  LYS  16           HZ2      LYS  16   2.684  -1.487   7.242
  415    HZ3  LYS  16           HZ3      LYS  16   1.760  -0.200   6.651
  416    H    ASN  17           H        ASN  17   1.536  -2.779  -0.083
  417    HA   ASN  17           HA       ASN  17  -0.901  -1.534  -0.601
  418    HB2  ASN  17           HB3      ASN  17   1.258  -0.720  -1.448
  419    HB3  ASN  17           HB2      ASN  17   1.384  -2.123  -2.503
  420   HD21  ASN  17          HD21      ASN  17   0.112  -2.231  -4.349
  421   HD22  ASN  17          HD22      ASN  17  -0.720  -0.852  -4.975
  422    H    TYR  18           H        TYR  18   0.487  -4.491  -1.960
  423    HA   TYR  18           HA       TYR  18  -1.459  -4.915  -3.941
  424    HB2  TYR  18           HB3      TYR  18   0.751  -6.051  -3.867
  425    HB3  TYR  18           HB2      TYR  18   0.189  -6.999  -2.493
  426    HD1  TYR  18           HD1      TYR  18  -0.447  -6.303  -6.081
  427    HD2  TYR  18           HD2      TYR  18  -1.054  -8.974  -2.824
  428    HE1  TYR  18           HE1      TYR  18  -1.372  -7.971  -7.629
  429    HE2  TYR  18           HE2      TYR  18  -1.981 -10.649  -4.368
  430    HH   TYR  18           HH       TYR  18  -3.004 -10.779  -6.542
  431    H    HIS  19           H        HIS  19  -1.200  -6.172  -0.623
  432    HA   HIS  19           HA       HIS  19  -3.627  -7.664  -0.762
  433    HB2  HIS  19           HB3      HIS  19  -2.095  -6.657   1.643
  434    HB3  HIS  19           HB2      HIS  19  -3.427  -7.801   1.712
  435    HD1  HIS  19           HD1      HIS  19  -0.312  -8.223   2.522
  436    HD2  HIS  19           HD2      HIS  19  -2.299  -9.710  -0.811
  437    HE1  HIS  19           HE1      HIS  19   1.001 -10.241   1.794
  438    HE2  HIS  19           HE2      HIS  19  -0.120 -11.007  -0.328
  439    H    LEU  20           H        LEU  20  -2.802  -4.395   0.116
  440    HA   LEU  20           HA       LEU  20  -5.274  -3.739   1.348
  441    HB2  LEU  20           HB3      LEU  20  -3.142  -2.589   1.771
  442    HB3  LEU  20           HB2      LEU  20  -3.134  -2.007   0.121
  443    HG   LEU  20           HG       LEU  20  -5.160  -0.709   0.586
  444   HD11  LEU  20          HD11      LEU  20  -4.753  -1.680   3.411
  445   HD12  LEU  20          HD12      LEU  20  -6.123  -2.047   2.364
  446   HD13  LEU  20          HD13      LEU  20  -5.861  -0.398   2.927
  447   HD21  LEU  20          HD21      LEU  20  -2.905   0.243   0.803
  448   HD22  LEU  20          HD22      LEU  20  -2.904  -0.195   2.511
  449   HD23  LEU  20          HD23      LEU  20  -4.054   0.992   1.906
  450    H    GLU  21           H        GLU  21  -3.976  -3.565  -1.917
  451    HA   GLU  21           HA       GLU  21  -6.128  -2.155  -3.101
  452    HB2  GLU  21           HB3      GLU  21  -3.914  -2.563  -4.179
  453    HB3  GLU  21           HB2      GLU  21  -4.346  -4.256  -4.357
  454    HG2  GLU  21           HG3      GLU  21  -6.181  -3.661  -5.821
  455    HG3  GLU  21           HG2      GLU  21  -5.823  -1.949  -5.599
  456    H    ASN  22           H        ASN  22  -5.615  -5.513  -2.286
  457    HA   ASN  22           HA       ASN  22  -7.926  -6.560  -3.531
  458    HB2  ASN  22           HB3      ASN  22  -6.083  -7.493  -1.378
  459    HB3  ASN  22           HB2      ASN  22  -7.627  -8.316  -1.580
  460   HD21  ASN  22          HD21      ASN  22  -4.557  -7.572  -3.074
  461   HD22  ASN  22          HD22      ASN  22  -4.654  -8.787  -4.301
  462    H    GLU  23           H        GLU  23  -7.360  -4.799  -0.626
  463    HA   GLU  23           HA       GLU  23  -9.790  -5.537   0.695
  464    HB2  GLU  23           HB3      GLU  23  -7.712  -4.823   1.885
  465    HB3  GLU  23           HB2      GLU  23  -7.967  -3.185   1.248
  466    HG2  GLU  23           HG3      GLU  23 -10.025  -2.987   2.480
  467    HG3  GLU  23           HG2      GLU  23  -9.906  -4.660   3.024
  468    H    VAL  24           H        VAL  24  -8.746  -2.927  -1.418
  469    HA   VAL  24           HA       VAL  24 -11.098  -1.349  -1.123
  470    HB   VAL  24           HB       VAL  24  -9.348  -1.473  -3.590
  471   HG11  VAL  24          HG11      VAL  24 -11.475  -0.277  -3.848
  472   HG12  VAL  24          HG12      VAL  24 -10.097   0.818  -3.947
  473   HG13  VAL  24          HG13      VAL  24 -11.064   0.752  -2.473
  474   HG21  VAL  24          HG21      VAL  24  -7.972  -1.102  -1.578
  475   HG22  VAL  24          HG22      VAL  24  -8.977   0.289  -1.172
  476   HG23  VAL  24          HG23      VAL  24  -8.007   0.303  -2.642
  477    H    ALA  25           H        ALA  25 -10.153  -4.035  -3.163
  478    HA   ALA  25           HA       ALA  25 -12.241  -3.861  -5.042
  479    HB1  ALA  25           HB1      ALA  25 -10.165  -5.163  -5.377
  480    HB2  ALA  25           HB2      ALA  25 -11.632  -6.073  -5.731
  481    HB3  ALA  25           HB3      ALA  25 -10.767  -6.352  -4.222
  482    H    ARG  26           H        ARG  26 -11.965  -5.731  -2.018
  483    HA   ARG  26           HA       ARG  26 -14.377  -7.118  -2.312
  484    HB2  ARG  26           HB3      ARG  26 -14.257  -7.292   0.228
  485    HB3  ARG  26           HB2      ARG  26 -12.943  -7.991  -0.695
  486    HG2  ARG  26           HG3      ARG  26 -11.613  -5.961  -0.233
  487    HG3  ARG  26           HG2      ARG  26 -12.921  -5.368   0.796
  488    HD2  ARG  26           HD2      ARG  26 -11.206  -6.440   2.138
  489    HD3  ARG  26           HD1      ARG  26 -12.700  -7.375   2.195
  490    HE   ARG  26           HE       ARG  26 -11.163  -8.427   0.135
  491   HH11  ARG  26          HH11      ARG  26 -10.945  -8.075   3.608
  492   HH12  ARG  26          HH12      ARG  26  -9.972  -9.496   3.818
  493   HH21  ARG  26          HH21      ARG  26  -9.903 -10.298   0.400
  494   HH22  ARG  26          HH22      ARG  26  -9.392 -10.772   1.990
  495    H    LEU  27           H        LEU  27 -13.686  -4.009  -0.748
  496    HA   LEU  27           HA       LEU  27 -16.311  -3.505   0.124
  497    HB2  LEU  27           HB3      LEU  27 -13.978  -1.755  -0.516
  498    HB3  LEU  27           HB2      LEU  27 -15.549  -1.027  -0.267
  499    HG   LEU  27           HG       LEU  27 -15.657  -1.968   1.985
  500   HD11  LEU  27          HD11      LEU  27 -13.631  -2.965   2.986
  501   HD12  LEU  27          HD12      LEU  27 -12.914  -3.043   1.374
  502   HD13  LEU  27          HD13      LEU  27 -14.364  -3.978   1.739
  503   HD21  LEU  27          HD21      LEU  27 -14.758   0.230   1.740
  504   HD22  LEU  27          HD22      LEU  27 -13.164  -0.420   1.364
  505   HD23  LEU  27          HD23      LEU  27 -13.843  -0.631   2.977
  506    H    LYS  28           H        LYS  28 -14.741  -2.958  -2.984
  507    HA   LYS  28           HA       LYS  28 -16.786  -1.481  -4.198
  508    HB2  LYS  28           HB3      LYS  28 -14.735  -3.342  -5.385
  509    HB3  LYS  28           HB2      LYS  28 -15.846  -2.391  -6.363
  510    HG2  LYS  28           HG3      LYS  28 -14.957  -0.339  -5.397
  511    HG3  LYS  28           HG2      LYS  28 -13.862  -1.284  -4.391
  512    HD2  LYS  28           HD3      LYS  28 -12.717  -0.375  -6.339
  513    HD3  LYS  28           HD2      LYS  28 -12.750  -2.140  -6.385
  514    HE2  LYS  28           HE3      LYS  28 -14.647  -2.052  -7.942
  515    HE3  LYS  28           HE2      LYS  28 -14.593  -0.291  -7.898
  516    HZ1  LYS  28           HZ1      LYS  28 -12.362  -0.380  -8.830
  517    HZ2  LYS  28           HZ2      LYS  28 -13.472  -1.149  -9.846
  518    HZ3  LYS  28           HZ3      LYS  28 -12.432  -2.069  -8.886
  519    H    LYS  29           H        LYS  29 -16.564  -4.943  -3.614
  520    HA   LYS  29           HA       LYS  29 -18.773  -5.586  -5.299
  521    HB2  LYS  29           HB3      LYS  29 -17.300  -7.038  -3.130
  522    HB3  LYS  29           HB2      LYS  29 -18.831  -7.658  -3.706
  523    HG2  LYS  29           HG3      LYS  29 -17.008  -8.786  -4.802
  524    HG3  LYS  29           HG2      LYS  29 -17.898  -7.829  -5.980
  525    HD2  LYS  29           HD3      LYS  29 -16.195  -6.097  -5.882
  526    HD3  LYS  29           HD2      LYS  29 -15.331  -6.994  -4.631
  527    HE2  LYS  29           HE3      LYS  29 -15.821  -7.903  -7.464
  528    HE3  LYS  29           HE2      LYS  29 -14.293  -7.318  -6.809
  529    HZ1  LYS  29           HZ1      LYS  29 -14.279  -9.200  -5.279
  530    HZ2  LYS  29           HZ2      LYS  29 -14.335  -9.721  -6.887
  531    HZ3  LYS  29           HZ3      LYS  29 -15.730  -9.765  -5.937
  532    H    LEU  30           H        LEU  30 -18.392  -4.442  -2.051
  533    HA   LEU  30           HA       LEU  30 -21.127  -4.955  -1.312
  534    HB2  LEU  30           HB3      LEU  30 -18.814  -3.555  -0.058
  535    HB3  LEU  30           HB2      LEU  30 -20.423  -3.201   0.534
  536    HG   LEU  30           HG       LEU  30 -19.250  -4.894   1.892
  537   HD11  LEU  30          HD11      LEU  30 -21.055  -6.439   2.099
  538   HD12  LEU  30          HD12      LEU  30 -21.604  -6.105   0.460
  539   HD13  LEU  30          HD13      LEU  30 -21.731  -4.858   1.702
  540   HD21  LEU  30          HD21      LEU  30 -19.382  -6.584  -0.600
  541   HD22  LEU  30          HD22      LEU  30 -18.901  -7.146   1.002
  542   HD23  LEU  30          HD23      LEU  30 -17.920  -5.948   0.158
  543    H    VAL  31           H        VAL  31 -19.312  -2.325  -2.717
  544    HA   VAL  31           HA       VAL  31 -21.510  -0.458  -2.427
  545    HB   VAL  31           HB       VAL  31 -18.944  -0.068  -3.989
  546   HG11  VAL  31          HG11      VAL  31 -20.921   1.927  -2.890
  547   HG12  VAL  31          HG12      VAL  31 -20.730   1.488  -4.588
  548   HG13  VAL  31          HG13      VAL  31 -19.421   2.310  -3.737
  549   HG21  VAL  31          HG21      VAL  31 -19.570   0.680  -1.136
  550   HG22  VAL  31          HG22      VAL  31 -18.109   1.117  -2.024
  551   HG23  VAL  31          HG23      VAL  31 -18.445  -0.575  -1.658
  552    H    GLY  32           H        GLY  32 -20.207  -2.586  -4.889
  553    HA2  GLY  32           HA3      GLY  32 -22.262  -1.580  -6.744
  554    HA3  GLY  32           HA2      GLY  32 -20.612  -1.827  -7.285
  555    H    GLU  33           H        GLU  33 -20.093  -4.266  -5.938
  556    HA   GLU  33           HA       GLU  33 -20.272  -6.506  -6.213
  557    HB2  GLU  33           HB3      GLU  33 -22.532  -6.220  -5.259
  558    HB3  GLU  33           HB2      GLU  33 -23.171  -5.949  -6.872
  559    HG2  GLU  33           HG3      GLU  33 -22.576  -8.207  -7.517
  560    HG3  GLU  33           HG2      GLU  33 -21.846  -8.485  -5.935
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  21.431  -1.797   5.653
    2    H2   GLY   1           H2       GLY   1  23.089  -1.578   5.387
    3    H3   GLY   1           H3       GLY   1  21.993  -1.389   4.112
    4    HA2  GLY   1           HA2      GLY   1  22.094   0.324   6.524
    5    HA3  GLY   1           HA3      GLY   1  22.789   0.747   4.966
    6    H    SER   2           H        SER   2  21.283   2.615   5.347
    7    HA   SER   2           HA       SER   2  18.669   1.960   4.159
    8    HB2  SER   2           HB3      SER   2  19.258   4.169   6.147
    9    HB3  SER   2           HB2      SER   2  17.697   3.857   5.392
   10    HG   SER   2           HG       SER   2  18.984   1.789   6.795
   11    H    MET   3           H        MET   3  20.653   4.847   4.786
   12    HA   MET   3           HA       MET   3  21.004   6.717   3.568
   13    HB2  MET   3           HB3      MET   3  22.331   6.342   1.535
   14    HB3  MET   3           HB2      MET   3  22.863   5.326   2.861
   15    HG2  MET   3           HG3      MET   3  20.953   4.194   0.881
   16    HG3  MET   3           HG2      MET   3  22.638   4.405   0.414
   17    HE1  MET   3           HE1      MET   3  21.064   1.606   0.466
   18    HE2  MET   3           HE2      MET   3  22.292   0.544   1.159
   19    HE3  MET   3           HE3      MET   3  22.746   1.749  -0.046
   20    H    LYS   4           H        LYS   4  20.971   7.011   0.701
   21    HA   LYS   4           HA       LYS   4  18.326   8.023   0.500
   22    HB2  LYS   4           HB3      LYS   4  20.269   9.141  -0.526
   23    HB3  LYS   4           HB2      LYS   4  20.461   7.787  -1.628
   24    HG2  LYS   4           HG3      LYS   4  18.253   8.264  -2.583
   25    HG3  LYS   4           HG2      LYS   4  18.100   9.647  -1.500
   26    HD2  LYS   4           HD3      LYS   4  20.249   9.288  -3.589
   27    HD3  LYS   4           HD2      LYS   4  18.820  10.305  -3.759
   28    HE2  LYS   4           HE3      LYS   4  21.016  10.640  -1.718
   29    HE3  LYS   4           HE2      LYS   4  20.767  11.635  -3.150
   30    HZ1  LYS   4           HZ1      LYS   4  19.891  12.721  -1.199
   31    HZ2  LYS   4           HZ2      LYS   4  18.907  11.393  -0.849
   32    HZ3  LYS   4           HZ3      LYS   4  18.619  12.312  -2.236
   33    H    GLN   5           H        GLN   5  19.965   5.191  -0.715
   34    HA   GLN   5           HA       GLN   5  18.279   4.477  -2.807
   35    HB2  GLN   5           HB3      GLN   5  19.694   2.555  -0.957
   36    HB3  GLN   5           HB2      GLN   5  19.183   2.247  -2.609
   37    HG2  GLN   5           HG3      GLN   5  20.759   4.046  -3.337
   38    HG3  GLN   5           HG2      GLN   5  21.354   4.103  -1.683
   39   HE21  GLN   5          HE21      GLN   5  23.407   3.456  -2.212
   40   HE22  GLN   5          HE22      GLN   5  23.781   1.846  -2.716
   41    H    LEU   6           H        LEU   6  18.197   3.264   0.549
   42    HA   LEU   6           HA       LEU   6  15.891   1.687   0.136
   43    HB2  LEU   6           HB3      LEU   6  17.295   2.692   2.590
   44    HB3  LEU   6           HB2      LEU   6  15.760   1.862   2.740
   45    HG   LEU   6           HG       LEU   6  17.617   0.342   3.150
   46   HD11  LEU   6          HD11      LEU   6  15.643  -0.629   2.207
   47   HD12  LEU   6          HD12      LEU   6  17.058  -1.405   1.497
   48   HD13  LEU   6          HD13      LEU   6  16.158  -0.201   0.580
   49   HD21  LEU   6          HD21      LEU   6  19.336   1.414   1.810
   50   HD22  LEU   6          HD22      LEU   6  18.482   0.970   0.333
   51   HD23  LEU   6          HD23      LEU   6  19.167  -0.284   1.365
   52    H    GLU   7           H        GLU   7  16.318   4.912   1.562
   53    HA   GLU   7           HA       GLU   7  13.664   5.297   2.370
   54    HB2  GLU   7           HB3      GLU   7  15.735   7.326   1.523
   55    HB3  GLU   7           HB2      GLU   7  14.213   7.731   2.305
   56    HG2  GLU   7           HG3      GLU   7  14.892   6.393   4.257
   57    HG3  GLU   7           HG2      GLU   7  16.439   6.074   3.472
   58    H    ASP   8           H        ASP   8  15.221   5.884  -0.738
   59    HA   ASP   8           HA       ASP   8  12.932   7.292  -1.785
   60    HB2  ASP   8           HB3      ASP   8  15.593   6.493  -2.887
   61    HB3  ASP   8           HB2      ASP   8  14.309   6.981  -3.988
   62    H    LYS   9           H        LYS   9  13.709   4.026  -1.412
   63    HA   LYS   9           HA       LYS   9  11.860   3.285  -3.561
   64    HB2  LYS   9           HB3      LYS   9  14.006   1.873  -2.125
   65    HB3  LYS   9           HB2      LYS   9  12.575   0.910  -2.462
   66    HG2  LYS   9           HG3      LYS   9  14.149   0.617  -4.244
   67    HG3  LYS   9           HG2      LYS   9  12.766   1.529  -4.848
   68    HD2  LYS   9           HD3      LYS   9  14.049   3.614  -4.561
   69    HD3  LYS   9           HD2      LYS   9  15.439   2.666  -4.028
   70    HE2  LYS   9           HE3      LYS   9  15.451   1.504  -6.196
   71    HE3  LYS   9           HE2      LYS   9  14.093   2.498  -6.722
   72    HZ1  LYS   9           HZ1      LYS   9  16.164   3.376  -7.554
   73    HZ2  LYS   9           HZ2      LYS   9  16.794   3.481  -5.989
   74    HZ3  LYS   9           HZ3      LYS   9  15.492   4.459  -6.442
   75    H    VAL  10           H        VAL  10  12.348   2.493  -0.117
   76    HA   VAL  10           HA       VAL  10   9.917   1.052   0.062
   77    HB   VAL  10           HB       VAL  10  11.892   0.669   1.501
   78   HG11  VAL  10          HG11      VAL  10  12.187   2.018   3.528
   79   HG12  VAL  10          HG12      VAL  10  10.981   3.158   2.929
   80   HG13  VAL  10          HG13      VAL  10  12.499   2.942   2.058
   81   HG21  VAL  10          HG21      VAL  10   9.292   1.170   2.924
   82   HG22  VAL  10          HG22      VAL  10  10.609   0.164   3.526
   83   HG23  VAL  10          HG23      VAL  10   9.751  -0.294   2.054
   84    H    GLU  11           H        GLU  11  10.757   4.382   0.962
   85    HA   GLU  11           HA       GLU  11   8.140   4.848   2.090
   86    HB2  GLU  11           HB3      GLU  11  10.181   5.982   2.951
   87    HB3  GLU  11           HB2      GLU  11  10.326   6.833   1.421
   88    HG2  GLU  11           HG3      GLU  11   8.265   7.996   1.809
   89    HG3  GLU  11           HG2      GLU  11   7.954   7.045   3.260
   90    H    GLU  12           H        GLU  12   9.849   5.507  -0.905
   91    HA   GLU  12           HA       GLU  12   7.984   7.115  -2.196
   92    HB2  GLU  12           HB3      GLU  12  10.307   6.302  -2.990
   93    HB3  GLU  12           HB2      GLU  12   9.450   4.903  -3.614
   94    HG2  GLU  12           HG3      GLU  12   8.788   7.736  -4.376
   95    HG3  GLU  12           HG2      GLU  12   9.912   6.720  -5.271
   96    H    LEU  13           H        LEU  13   8.200   3.527  -2.253
   97    HA   LEU  13           HA       LEU  13   5.618   3.297  -3.416
   98    HB2  LEU  13           HB3      LEU  13   7.637   1.415  -2.407
   99    HB3  LEU  13           HB2      LEU  13   5.974   0.847  -2.371
  100    HG   LEU  13           HG       LEU  13   5.887   1.708  -4.810
  101   HD11  LEU  13          HD11      LEU  13   8.859   1.329  -4.415
  102   HD12  LEU  13          HD12      LEU  13   8.034   2.840  -4.807
  103   HD13  LEU  13          HD13      LEU  13   8.054   1.519  -5.975
  104   HD21  LEU  13          HD21      LEU  13   7.324  -0.805  -3.960
  105   HD22  LEU  13          HD22      LEU  13   6.802  -0.487  -5.613
  106   HD23  LEU  13          HD23      LEU  13   5.607  -0.610  -4.322
  107    H    LEU  14           H        LEU  14   6.520   4.017  -0.239
  108    HA   LEU  14           HA       LEU  14   4.250   2.867   1.041
  109    HB2  LEU  14           HB3      LEU  14   6.299   3.595   2.257
  110    HB3  LEU  14           HB2      LEU  14   5.898   5.258   1.881
  111    HG   LEU  14           HG       LEU  14   3.608   4.394   3.114
  112   HD11  LEU  14          HD11      LEU  14   5.959   3.051   4.424
  113   HD12  LEU  14          HD12      LEU  14   4.510   2.279   3.778
  114   HD13  LEU  14          HD13      LEU  14   4.399   3.309   5.202
  115   HD21  LEU  14          HD21      LEU  14   4.391   5.690   5.023
  116   HD22  LEU  14          HD22      LEU  14   4.747   6.500   3.498
  117   HD23  LEU  14          HD23      LEU  14   6.030   5.663   4.371
  118    H    SER  15           H        SER  15   4.738   5.514  -1.056
  119    HA   SER  15           HA       SER  15   2.722   7.268  -0.399
  120    HB2  SER  15           HB3      SER  15   2.529   7.760  -2.821
  121    HB3  SER  15           HB2      SER  15   4.205   7.673  -2.284
  122    HG   SER  15           HG       SER  15   4.506   5.880  -3.400
  123    H    LYS  16           H        LYS  16   2.365   4.188  -2.244
  124    HA   LYS  16           HA       LYS  16  -0.422   4.492  -2.616
  125    HB2  LYS  16           HB3      LYS  16  -0.496   2.129  -3.160
  126    HB3  LYS  16           HB2      LYS  16   0.940   2.845  -3.881
  127    HG2  LYS  16           HG3      LYS  16   2.330   1.896  -2.166
  128    HG3  LYS  16           HG2      LYS  16   0.913   1.276  -1.314
  129    HD2  LYS  16           HD3      LYS  16   0.497  -0.345  -2.920
  130    HD3  LYS  16           HD2      LYS  16   1.407   0.513  -4.164
  131    HE2  LYS  16           HE3      LYS  16   2.590  -0.837  -1.740
  132    HE3  LYS  16           HE2      LYS  16   2.595  -1.491  -3.382
  133    HZ1  LYS  16           HZ1      LYS  16   3.894   1.032  -2.513
  134    HZ2  LYS  16           HZ2      LYS  16   3.867   0.434  -4.095
  135    HZ3  LYS  16           HZ3      LYS  16   4.681  -0.421  -2.884
  136    H    ASN  17           H        ASN  17   1.226   3.895   0.305
  137    HA   ASN  17           HA       ASN  17  -0.637   2.230   1.638
  138    HB2  ASN  17           HB3      ASN  17   1.729   2.959   2.398
  139    HB3  ASN  17           HB2      ASN  17   0.949   4.421   2.981
  140   HD21  ASN  17          HD21      ASN  17   2.364   2.406   4.467
  141   HD22  ASN  17          HD22      ASN  17   1.259   1.748   5.618
  142    H    TYR  18           H        TYR  18  -0.274   5.714   1.358
  143    HA   TYR  18           HA       TYR  18  -2.615   6.320   2.898
  144    HB2  TYR  18           HB3      TYR  18  -1.078   8.141   1.032
  145    HB3  TYR  18           HB2      TYR  18  -2.166   8.627   2.327
  146    HD1  TYR  18           HD1      TYR  18  -1.483   8.166   4.714
  147    HD2  TYR  18           HD2      TYR  18   1.202   7.742   1.445
  148    HE1  TYR  18           HE1      TYR  18   0.419   8.277   6.269
  149    HE2  TYR  18           HE2      TYR  18   3.112   7.850   2.988
  150    HH   TYR  18           HH       TYR  18   2.762   7.596   6.369
  151    H    HIS  19           H        HIS  19  -1.746   6.126  -0.501
  152    HA   HIS  19           HA       HIS  19  -4.077   7.288  -1.563
  153    HB2  HIS  19           HB3      HIS  19  -2.211   5.252  -2.790
  154    HB3  HIS  19           HB2      HIS  19  -3.456   6.122  -3.673
  155    HD1  HIS  19           HD1      HIS  19  -0.659   6.460  -4.669
  156    HD2  HIS  19           HD2      HIS  19  -2.278   8.898  -1.720
  157    HE1  HIS  19           HE1      HIS  19   0.702   8.570  -4.715
  158    HE2  HIS  19           HE2      HIS  19  -0.395  10.088  -3.032
  159    H    LEU  20           H        LEU  20  -3.207   3.859  -1.155
  160    HA   LEU  20           HA       LEU  20  -5.711   2.867  -2.010
  161    HB2  LEU  20           HB3      LEU  20  -3.255   1.790  -0.856
  162    HB3  LEU  20           HB2      LEU  20  -4.687   0.930  -0.336
  163    HG   LEU  20           HG       LEU  20  -3.567  -0.062  -2.333
  164   HD11  LEU  20          HD11      LEU  20  -5.607  -0.428  -3.602
  165   HD12  LEU  20          HD12      LEU  20  -6.363   0.953  -2.808
  166   HD13  LEU  20          HD13      LEU  20  -5.933  -0.477  -1.870
  167   HD21  LEU  20          HD21      LEU  20  -2.849   1.999  -3.418
  168   HD22  LEU  20          HD22      LEU  20  -4.532   2.444  -3.698
  169   HD23  LEU  20          HD23      LEU  20  -3.852   1.030  -4.497
  170    H    GLU  21           H        GLU  21  -4.463   3.841   1.144
  171    HA   GLU  21           HA       GLU  21  -6.572   2.748   2.682
  172    HB2  GLU  21           HB3      GLU  21  -4.384   3.623   3.578
  173    HB3  GLU  21           HB2      GLU  21  -5.007   5.248   3.334
  174    HG2  GLU  21           HG3      GLU  21  -6.840   4.779   4.877
  175    HG3  GLU  21           HG2      GLU  21  -6.213   3.150   5.124
  176    H    ASN  22           H        ASN  22  -6.150   5.843   1.044
  177    HA   ASN  22           HA       ASN  22  -8.543   7.031   1.974
  178    HB2  ASN  22           HB3      ASN  22  -6.616   7.616  -0.216
  179    HB3  ASN  22           HB2      ASN  22  -8.201   8.376  -0.291
  180   HD21  ASN  22          HD21      ASN  22  -5.212   8.149   1.459
  181   HD22  ASN  22          HD22      ASN  22  -5.445   9.560   2.433
  182    H    GLU  23           H        GLU  23  -7.887   4.689  -0.467
  183    HA   GLU  23           HA       GLU  23 -10.356   5.068  -1.894
  184    HB2  GLU  23           HB3      GLU  23  -8.516   2.657  -1.899
  185    HB3  GLU  23           HB2      GLU  23  -9.789   3.020  -3.084
  186    HG2  GLU  23           HG3      GLU  23  -7.217   4.525  -2.638
  187    HG3  GLU  23           HG2      GLU  23  -7.652   3.538  -4.031
  188    H    VAL  24           H        VAL  24  -9.102   2.750   0.489
  189    HA   VAL  24           HA       VAL  24 -11.433   1.185   0.667
  190    HB   VAL  24           HB       VAL  24  -9.368   1.618   2.844
  191   HG11  VAL  24          HG11      VAL  24 -10.076  -0.520   3.702
  192   HG12  VAL  24          HG12      VAL  24 -11.216  -0.722   2.371
  193   HG13  VAL  24          HG13      VAL  24 -11.479   0.541   3.577
  194   HG21  VAL  24          HG21      VAL  24  -8.272  -0.365   1.970
  195   HG22  VAL  24          HG22      VAL  24  -8.334   0.907   0.750
  196   HG23  VAL  24          HG23      VAL  24  -9.451  -0.455   0.664
  197    H    ALA  25           H        ALA  25 -10.382   4.071   2.395
  198    HA   ALA  25           HA       ALA  25 -12.454   4.024   4.337
  199    HB1  ALA  25           HB1      ALA  25 -10.295   5.241   4.583
  200    HB2  ALA  25           HB2      ALA  25 -11.723   6.201   4.970
  201    HB3  ALA  25           HB3      ALA  25 -10.899   6.432   3.431
  202    H    ARG  26           H        ARG  26 -12.256   5.306   1.086
  203    HA   ARG  26           HA       ARG  26 -14.499   7.046   1.328
  204    HB2  ARG  26           HB3      ARG  26 -14.129   7.593  -0.857
  205    HB3  ARG  26           HB2      ARG  26 -12.573   6.877  -0.486
  206    HG2  ARG  26           HG3      ARG  26 -13.249   4.789  -1.546
  207    HG3  ARG  26           HG2      ARG  26 -14.841   5.482  -1.892
  208    HD2  ARG  26           HD2      ARG  26 -13.709   7.268  -3.201
  209    HD3  ARG  26           HD1      ARG  26 -12.180   6.432  -2.941
  210    HE   ARG  26           HE       ARG  26 -14.125   4.708  -4.101
  211   HH11  ARG  26          HH11      ARG  26 -11.893   7.299  -4.838
  212   HH12  ARG  26          HH12      ARG  26 -11.727   6.857  -6.509
  213   HH21  ARG  26          HH21      ARG  26 -13.904   4.118  -6.302
  214   HH22  ARG  26          HH22      ARG  26 -12.861   5.043  -7.337
  215    H    LEU  27           H        LEU  27 -14.040   3.748   0.231
  216    HA   LEU  27           HA       LEU  27 -16.736   3.245  -0.459
  217    HB2  LEU  27           HB3      LEU  27 -14.492   1.421   0.348
  218    HB3  LEU  27           HB2      LEU  27 -16.059   0.839  -0.171
  219    HG   LEU  27           HG       LEU  27 -14.764   2.736  -2.002
  220   HD11  LEU  27          HD11      LEU  27 -12.864   1.399  -1.167
  221   HD12  LEU  27          HD12      LEU  27 -13.194   1.175  -2.887
  222   HD13  LEU  27          HD13      LEU  27 -13.697  -0.049  -1.726
  223   HD21  LEU  27          HD21      LEU  27 -16.111   0.068  -2.352
  224   HD22  LEU  27          HD22      LEU  27 -15.589   1.131  -3.658
  225   HD23  LEU  27          HD23      LEU  27 -16.861   1.651  -2.555
  226    H    LYS  28           H        LYS  28 -14.967   3.014   2.577
  227    HA   LYS  28           HA       LYS  28 -16.803   1.763   4.209
  228    HB2  LYS  28           HB3      LYS  28 -15.006   4.121   4.741
  229    HB3  LYS  28           HB2      LYS  28 -16.007   3.416   5.999
  230    HG2  LYS  28           HG3      LYS  28 -13.938   1.901   4.425
  231    HG3  LYS  28           HG2      LYS  28 -13.662   2.627   6.010
  232    HD2  LYS  28           HD3      LYS  28 -15.629   1.249   6.825
  233    HD3  LYS  28           HD2      LYS  28 -15.530   0.380   5.292
  234    HE2  LYS  28           HE3      LYS  28 -13.312   0.635   7.320
  235    HE3  LYS  28           HE2      LYS  28 -14.330  -0.783   7.084
  236    HZ1  LYS  28           HZ1      LYS  28 -12.217  -1.034   5.969
  237    HZ2  LYS  28           HZ2      LYS  28 -12.479   0.377   5.078
  238    HZ3  LYS  28           HZ3      LYS  28 -13.468  -0.976   4.834
  239    H    LYS  29           H        LYS  29 -16.810   5.128   3.110
  240    HA   LYS  29           HA       LYS  29 -19.163   5.819   4.574
  241    HB2  LYS  29           HB3      LYS  29 -17.632   7.191   2.374
  242    HB3  LYS  29           HB2      LYS  29 -19.068   7.874   3.108
  243    HG2  LYS  29           HG3      LYS  29 -16.569   7.148   4.615
  244    HG3  LYS  29           HG2      LYS  29 -16.953   8.766   4.026
  245    HD2  LYS  29           HD3      LYS  29 -18.621   7.176   5.979
  246    HD3  LYS  29           HD2      LYS  29 -17.509   8.475   6.410
  247    HE2  LYS  29           HE3      LYS  29 -18.835  10.033   5.035
  248    HE3  LYS  29           HE2      LYS  29 -19.961   8.729   4.670
  249    HZ1  LYS  29           HZ1      LYS  29 -20.503   8.573   7.009
  250    HZ2  LYS  29           HZ2      LYS  29 -20.760  10.153   6.459
  251    HZ3  LYS  29           HZ3      LYS  29 -19.392   9.792   7.383
  252    H    LEU  30           H        LEU  30 -18.533   4.390   1.491
  253    HA   LEU  30           HA       LEU  30 -21.101   5.074   0.377
  254    HB2  LEU  30           HB3      LEU  30 -19.042   3.068  -0.541
  255    HB3  LEU  30           HB2      LEU  30 -20.471   3.533  -1.444
  256    HG   LEU  30           HG       LEU  30 -18.188   5.372  -0.718
  257   HD11  LEU  30          HD11      LEU  30 -18.970   4.133  -3.351
  258   HD12  LEU  30          HD12      LEU  30 -17.540   3.742  -2.395
  259   HD13  LEU  30          HD13      LEU  30 -17.707   5.341  -3.119
  260   HD21  LEU  30          HD21      LEU  30 -20.653   5.839  -2.392
  261   HD22  LEU  30          HD22      LEU  30 -19.299   6.957  -2.233
  262   HD23  LEU  30          HD23      LEU  30 -20.294   6.573  -0.829
  263    H    VAL  31           H        VAL  31 -19.641   2.275   1.948
  264    HA   VAL  31           HA       VAL  31 -22.044   0.691   1.666
  265    HB   VAL  31           HB       VAL  31 -19.626   0.116   3.401
  266   HG11  VAL  31          HG11      VAL  31 -20.370  -2.206   3.267
  267   HG12  VAL  31          HG12      VAL  31 -21.779  -1.702   2.334
  268   HG13  VAL  31          HG13      VAL  31 -21.597  -1.178   4.009
  269   HG21  VAL  31          HG21      VAL  31 -18.943   0.388   1.087
  270   HG22  VAL  31          HG22      VAL  31 -20.196  -0.740   0.570
  271   HG23  VAL  31          HG23      VAL  31 -18.855  -1.306   1.566
  272    H    GLY  32           H        GLY  32 -20.604   2.815   4.029
  273    HA2  GLY  32           HA3      GLY  32 -22.397   1.888   6.133
  274    HA3  GLY  32           HA2      GLY  32 -21.101   3.060   6.308
  275    H    GLU  33           H        GLU  33 -21.735   4.850   4.311
  276    HA   GLU  33           HA       GLU  33 -22.905   6.743   3.961
  277    HB2  GLU  33           HB3      GLU  33 -25.286   5.002   4.634
  278    HB3  GLU  33           HB2      GLU  33 -25.365   6.585   3.874
  279    HG2  GLU  33           HG3      GLU  33 -24.121   5.736   1.955
  280    HG3  GLU  33           HG2      GLU  33 -24.025   4.150   2.718
  281    H1   GLY   1           H1       GLY   1  21.418   1.549  -6.402
  282    H2   GLY   1           H2       GLY   1  23.070   1.321  -6.121
  283    H3   GLY   1           H3       GLY   1  21.964   1.152  -4.851
  284    HA2  GLY   1           HA2      GLY   1  22.058  -0.583  -7.251
  285    HA3  GLY   1           HA3      GLY   1  22.753  -0.997  -5.690
  286    H    SER   2           H        SER   2  21.240  -2.857  -6.046
  287    HA   SER   2           HA       SER   2  18.633  -2.190  -4.854
  288    HB2  SER   2           HB3      SER   2  19.216  -4.404  -6.839
  289    HB3  SER   2           HB2      SER   2  17.663  -4.113  -6.057
  290    HG   SER   2           HG       SER   2  18.916  -2.053  -7.512
  291    H    MET   3           H        MET   3  20.608  -5.090  -5.471
  292    HA   MET   3           HA       MET   3  20.968  -6.947  -4.239
  293    HB2  MET   3           HB3      MET   3  22.302  -6.554  -2.212
  294    HB3  MET   3           HB2      MET   3  22.831  -5.553  -3.550
  295    HG2  MET   3           HG3      MET   3  20.929  -4.400  -1.577
  296    HG3  MET   3           HG2      MET   3  22.615  -4.609  -1.113
  297    HE1  MET   3           HE1      MET   3  21.051  -1.807  -1.184
  298    HE2  MET   3           HE2      MET   3  22.281  -0.757  -1.889
  299    HE3  MET   3           HE3      MET   3  22.733  -1.956  -0.677
  300    H    LYS   4           H        LYS   4  20.946  -7.217  -1.368
  301    HA   LYS   4           HA       LYS   4  18.299  -8.223  -1.147
  302    HB2  LYS   4           HB3      LYS   4  20.244  -9.333  -0.117
  303    HB3  LYS   4           HB2      LYS   4  20.443  -7.968   0.972
  304    HG2  LYS   4           HG3      LYS   4  18.238  -8.436   1.942
  305    HG3  LYS   4           HG2      LYS   4  18.075  -9.825   0.868
  306    HD2  LYS   4           HD3      LYS   4  20.236  -9.459   2.942
  307    HD3  LYS   4           HD2      LYS   4  18.806 -10.473   3.126
  308    HE2  LYS   4           HE3      LYS   4  20.989 -10.823   1.073
  309    HE3  LYS   4           HE2      LYS   4  20.750 -11.809   2.513
  310    HZ1  LYS   4           HZ1      LYS   4  19.859 -12.907   0.579
  311    HZ2  LYS   4           HZ2      LYS   4  18.873 -11.583   0.224
  312    HZ3  LYS   4           HZ3      LYS   4  18.595 -12.488   1.620
  313    H    GLN   5           H        GLN   5  19.948  -5.386   0.041
  314    HA   GLN   5           HA       GLN   5  18.268  -4.652   2.129
  315    HB2  GLN   5           HB3      GLN   5  19.683  -2.747   0.259
  316    HB3  GLN   5           HB2      GLN   5  19.178  -2.426   1.912
  317    HG2  GLN   5           HG3      GLN   5  20.749  -4.218   2.654
  318    HG3  GLN   5           HG2      GLN   5  21.339  -4.300   0.996
  319   HE21  GLN   5          HE21      GLN   5  23.399  -3.652   1.510
  320   HE22  GLN   5          HE22      GLN   5  23.781  -2.038   2.006
  321    H    LEU   6           H        LEU   6  18.178  -3.464  -1.236
  322    HA   LEU   6           HA       LEU   6  15.879  -1.878  -0.827
  323    HB2  LEU   6           HB3      LEU   6  17.267  -2.905  -3.279
  324    HB3  LEU   6           HB2      LEU   6  15.734  -2.071  -3.428
  325    HG   LEU   6           HG       LEU   6  17.593  -0.559  -3.855
  326   HD11  LEU   6          HD11      LEU   6  15.627   0.424  -2.908
  327   HD12  LEU   6          HD12      LEU   6  17.050   1.202  -2.213
  328   HD13  LEU   6          HD13      LEU   6  16.153   0.008  -1.281
  329   HD21  LEU   6          HD21      LEU   6  19.316  -1.624  -2.517
  330   HD22  LEU   6          HD22      LEU   6  18.471  -1.169  -1.038
  331   HD23  LEU   6          HD23      LEU   6  19.154   0.077  -2.082
  332    H    GLU   7           H        GLU   7  16.291  -5.115  -2.222
  333    HA   GLU   7           HA       GLU   7  13.634  -5.501  -3.018
  334    HB2  GLU   7           HB3      GLU   7  15.705  -7.524  -2.163
  335    HB3  GLU   7           HB2      GLU   7  14.178  -7.932  -2.933
  336    HG2  GLU   7           HG3      GLU   7  14.844  -6.613  -4.898
  337    HG3  GLU   7           HG2      GLU   7  16.397  -6.290  -4.128
  338    H    ASP   8           H        ASP   8  15.206  -6.072   0.087
  339    HA   ASP   8           HA       ASP   8  12.916  -7.459   1.157
  340    HB2  ASP   8           HB3      ASP   8  15.582  -6.653   2.246
  341    HB3  ASP   8           HB2      ASP   8  14.298  -7.128   3.353
  342    H    LYS   9           H        LYS   9  13.701  -4.199   0.752
  343    HA   LYS   9           HA       LYS   9  11.864  -3.437   2.904
  344    HB2  LYS   9           HB3      LYS   9  14.005  -2.040   1.447
  345    HB3  LYS   9           HB2      LYS   9  12.579  -1.073   1.783
  346    HG2  LYS   9           HG3      LYS   9  14.160  -0.768   3.553
  347    HG3  LYS   9           HG2      LYS   9  12.777  -1.670   4.172
  348    HD2  LYS   9           HD3      LYS   9  14.054  -3.762   3.894
  349    HD3  LYS   9           HD2      LYS   9  15.444  -2.819   3.349
  350    HE2  LYS   9           HE3      LYS   9  15.464  -1.642   5.507
  351    HE3  LYS   9           HE2      LYS   9  14.109  -2.630   6.047
  352    HZ1  LYS   9           HZ1      LYS   9  16.182  -3.506   6.875
  353    HZ2  LYS   9           HZ2      LYS   9  16.807  -3.617   5.311
  354    HZ3  LYS   9           HZ3      LYS   9  15.510  -4.597   5.770
  355    H    VAL  10           H        VAL  10  12.335  -2.673  -0.551
  356    HA   VAL  10           HA       VAL  10   9.908  -1.225  -0.733
  357    HB   VAL  10           HB       VAL  10  11.878  -0.860  -2.184
  358   HG11  VAL  10          HG11      VAL  10  12.160  -2.227  -4.202
  359   HG12  VAL  10          HG12      VAL  10  10.951  -3.357  -3.592
  360   HG13  VAL  10          HG13      VAL  10  12.473  -3.142  -2.726
  361   HG21  VAL  10          HG21      VAL  10   9.268  -1.365  -3.591
  362   HG22  VAL  10          HG22      VAL  10  10.586  -0.367  -4.207
  363   HG23  VAL  10          HG23      VAL  10   9.737   0.105  -2.735
  364    H    GLU  11           H        GLU  11  10.736  -4.566  -1.600
  365    HA   GLU  11           HA       GLU  11   8.116  -5.033  -2.723
  366    HB2  GLU  11           HB3      GLU  11  10.149  -6.185  -3.581
  367    HB3  GLU  11           HB2      GLU  11  10.296  -7.021  -2.041
  368    HG2  GLU  11           HG3      GLU  11   8.227  -8.180  -2.408
  369    HG3  GLU  11           HG2      GLU  11   7.918  -7.243  -3.869
  370    H    GLU  12           H        GLU  12   9.835  -5.674   0.269
  371    HA   GLU  12           HA       GLU  12   7.969  -7.268   1.581
  372    HB2  GLU  12           HB3      GLU  12  10.298  -6.457   2.362
  373    HB3  GLU  12           HB2      GLU  12   9.449  -5.050   2.977
  374    HG2  GLU  12           HG3      GLU  12   8.783  -7.875   3.767
  375    HG3  GLU  12           HG2      GLU  12   9.905  -6.847   4.651
  376    H    LEU  13           H        LEU  13   8.195  -3.676   1.612
  377    HA   LEU  13           HA       LEU  13   5.618  -3.433   2.786
  378    HB2  LEU  13           HB3      LEU  13   7.636  -1.562   1.754
  379    HB3  LEU  13           HB2      LEU  13   5.975  -0.991   1.723
  380    HG   LEU  13           HG       LEU  13   5.897  -1.836   4.169
  381   HD11  LEU  13          HD11      LEU  13   8.868  -1.467   3.757
  382   HD12  LEU  13          HD12      LEU  13   8.041  -2.974   4.162
  383   HD13  LEU  13          HD13      LEU  13   8.070  -1.645   5.321
  384   HD21  LEU  13          HD21      LEU  13   7.343   0.664   3.293
  385   HD22  LEU  13          HD22      LEU  13   6.824   0.362   4.951
  386   HD23  LEU  13          HD23      LEU  13   5.626   0.479   3.663
  387    H    LEU  14           H        LEU  14   6.504  -4.172  -0.391
  388    HA   LEU  14           HA       LEU  14   4.228  -3.033  -1.668
  389    HB2  LEU  14           HB3      LEU  14   6.271  -3.774  -2.884
  390    HB3  LEU  14           HB2      LEU  14   5.867  -5.434  -2.495
  391    HG   LEU  14           HG       LEU  14   3.575  -4.571  -3.723
  392   HD11  LEU  14          HD11      LEU  14   5.925  -3.249  -5.058
  393   HD12  LEU  14          HD12      LEU  14   4.483  -2.465  -4.409
  394   HD13  LEU  14          HD13      LEU  14   4.359  -3.507  -5.823
  395   HD21  LEU  14          HD21      LEU  14   4.342  -5.886  -5.625
  396   HD22  LEU  14          HD22      LEU  14   4.703  -6.685  -4.095
  397   HD23  LEU  14          HD23      LEU  14   5.984  -5.861  -4.983
  398    H    SER  15           H        SER  15   4.714  -5.659   0.453
  399    HA   SER  15           HA       SER  15   2.694  -7.417  -0.184
  400    HB2  SER  15           HB3      SER  15   2.508  -7.889   2.246
  401    HB3  SER  15           HB2      SER  15   4.183  -7.817   1.698
  402    HG   SER  15           HG       SER  15   4.501  -6.024   2.802
  403    H    LYS  16           H        LYS  16   2.358  -4.320   1.633
  404    HA   LYS  16           HA       LYS  16  -0.429  -4.616   2.020
  405    HB2  LYS  16           HB3      LYS  16  -0.495  -2.248   2.546
  406    HB3  LYS  16           HB2      LYS  16   0.943  -2.963   3.266
  407    HG2  LYS  16           HG3      LYS  16   2.327  -2.032   1.540
  408    HG3  LYS  16           HG2      LYS  16   0.910  -1.413   0.689
  409    HD2  LYS  16           HD3      LYS  16   0.506   0.222   2.283
  410    HD3  LYS  16           HD2      LYS  16   1.418  -0.631   3.531
  411    HE2  LYS  16           HE3      LYS  16   2.597   0.695   1.093
  412    HE3  LYS  16           HE2      LYS  16   2.608   1.362   2.729
  413    HZ1  LYS  16           HZ1      LYS  16   3.898  -1.170   1.875
  414    HZ2  LYS  16           HZ2      LYS  16   3.877  -0.559   3.454
  415    HZ3  LYS  16           HZ3      LYS  16   4.688   0.284   2.233
  416    H    ASN  17           H        ASN  17   1.208  -4.039  -0.913
  417    HA   ASN  17           HA       ASN  17  -0.655  -2.386  -2.252
  418    HB2  ASN  17           HB3      ASN  17   1.709  -3.126  -3.010
  419    HB3  ASN  17           HB2      ASN  17   0.922  -4.590  -3.580
  420   HD21  ASN  17          HD21      ASN  17   2.340  -2.598  -5.090
  421   HD22  ASN  17          HD22      ASN  17   1.237  -1.957  -6.248
  422    H    TYR  18           H        TYR  18  -0.301  -5.869  -1.951
  423    HA   TYR  18           HA       TYR  18  -2.653  -6.482  -3.469
  424    HB2  TYR  18           HB3      TYR  18  -1.115  -8.290  -1.593
  425    HB3  TYR  18           HB2      TYR  18  -2.208  -8.785  -2.879
  426    HD1  TYR  18           HD1      TYR  18  -1.534  -8.346  -5.276
  427    HD2  TYR  18           HD2      TYR  18   1.168  -7.904  -2.019
  428    HE1  TYR  18           HE1      TYR  18   0.361  -8.475  -6.837
  429    HE2  TYR  18           HE2      TYR  18   3.071  -8.032  -3.571
  430    HH   TYR  18           HH       TYR  18   2.712  -7.782  -6.939
  431    H    HIS  19           H        HIS  19  -1.769  -6.253  -0.075
  432    HA   HIS  19           HA       HIS  19  -4.097  -7.410   1.006
  433    HB2  HIS  19           HB3      HIS  19  -2.222  -5.367   2.212
  434    HB3  HIS  19           HB2      HIS  19  -3.462  -6.230   3.107
  435    HD1  HIS  19           HD1      HIS  19  -0.663  -6.561   4.091
  436    HD2  HIS  19           HD2      HIS  19  -2.307  -9.027   1.174
  437    HE1  HIS  19           HE1      HIS  19   0.699  -8.672   4.143
  438    HE2  HIS  19           HE2      HIS  19  -0.437 -10.215   2.508
  439    H    LEU  20           H        LEU  20  -3.218  -3.987   0.567
  440    HA   LEU  20           HA       LEU  20  -5.714  -2.982   1.427
  441    HB2  LEU  20           HB3      LEU  20  -3.261  -1.922   0.254
  442    HB3  LEU  20           HB2      LEU  20  -4.695  -1.060  -0.264
  443    HG   LEU  20           HG       LEU  20  -3.561  -0.058   1.719
  444   HD11  LEU  20          HD11      LEU  20  -5.593   0.319   2.998
  445   HD12  LEU  20          HD12      LEU  20  -6.356  -1.064   2.214
  446   HD13  LEU  20          HD13      LEU  20  -5.925   0.360   1.267
  447   HD21  LEU  20          HD21      LEU  20  -2.840  -2.110   2.819
  448   HD22  LEU  20          HD22      LEU  20  -4.523  -2.552   3.109
  449   HD23  LEU  20          HD23      LEU  20  -3.839  -1.131   3.893
  450    H    GLU  21           H        GLU  21  -4.485  -3.976  -1.727
  451    HA   GLU  21           HA       GLU  21  -6.601  -2.897  -3.261
  452    HB2  GLU  21           HB3      GLU  21  -4.418  -3.784  -4.159
  453    HB3  GLU  21           HB2      GLU  21  -5.042  -5.406  -3.895
  454    HG2  GLU  21           HG3      GLU  21  -6.882  -4.946  -5.436
  455    HG3  GLU  21           HG2      GLU  21  -6.251  -3.324  -5.701
  456    H    ASN  22           H        ASN  22  -6.182  -5.982  -1.603
  457    HA   ASN  22           HA       ASN  22  -8.582  -7.169  -2.512
  458    HB2  ASN  22           HB3      ASN  22  -6.646  -7.741  -0.326
  459    HB3  ASN  22           HB2      ASN  22  -8.235  -8.494  -0.236
  460   HD21  ASN  22          HD21      ASN  22  -5.255  -8.290  -2.014
  461   HD22  ASN  22          HD22      ASN  22  -5.500  -9.717  -2.965
  462    H    GLU  23           H        GLU  23  -7.907  -4.811  -0.094
  463    HA   GLU  23           HA       GLU  23 -10.368  -5.171   1.350
  464    HB2  GLU  23           HB3      GLU  23  -8.523  -2.765   1.329
  465    HB3  GLU  23           HB2      GLU  23  -9.790  -3.119   2.523
  466    HG2  GLU  23           HG3      GLU  23  -7.221  -4.630   2.077
  467    HG3  GLU  23           HG2      GLU  23  -7.650  -3.630   3.463
  468    H    VAL  24           H        VAL  24  -9.118  -2.878  -1.057
  469    HA   VAL  24           HA       VAL  24 -11.447  -1.307  -1.232
  470    HB   VAL  24           HB       VAL  24  -9.389  -1.756  -3.415
  471   HG11  VAL  24          HG11      VAL  24 -10.101   0.377  -4.286
  472   HG12  VAL  24          HG12      VAL  24 -11.232   0.590  -2.950
  473   HG13  VAL  24          HG13      VAL  24 -11.506  -0.681  -4.144
  474   HG21  VAL  24          HG21      VAL  24  -8.286   0.229  -2.561
  475   HG22  VAL  24          HG22      VAL  24  -8.349  -1.034  -1.332
  476   HG23  VAL  24          HG23      VAL  24  -9.460   0.333  -1.250
  477    H    ALA  25           H        ALA  25 -10.408  -4.204  -2.952
  478    HA   ALA  25           HA       ALA  25 -12.494  -4.171  -4.880
  479    HB1  ALA  25           HB1      ALA  25 -10.335  -5.391  -5.127
  480    HB2  ALA  25           HB2      ALA  25 -11.767  -6.350  -5.503
  481    HB3  ALA  25           HB3      ALA  25 -10.938  -6.574  -3.966
  482    H    ARG  26           H        ARG  26 -12.279  -5.431  -1.618
  483    HA   ARG  26           HA       ARG  26 -14.530  -7.164  -1.837
  484    HB2  ARG  26           HB3      ARG  26 -14.152  -7.697   0.352
  485    HB3  ARG  26           HB2      ARG  26 -12.595  -6.988  -0.030
  486    HG2  ARG  26           HG3      ARG  26 -13.262  -4.890   1.010
  487    HG3  ARG  26           HG2      ARG  26 -14.852  -5.577   1.372
  488    HD2  ARG  26           HD2      ARG  26 -13.718  -7.353   2.688
  489    HD3  ARG  26           HD1      ARG  26 -12.189  -6.525   2.414
  490    HE   ARG  26           HE       ARG  26 -14.130  -4.792   3.574
  491   HH11  ARG  26          HH11      ARG  26 -11.895  -7.379   4.318
  492   HH12  ARG  26          HH12      ARG  26 -11.712  -6.921   5.981
  493   HH21  ARG  26          HH21      ARG  26 -13.887  -4.180   5.767
  494   HH22  ARG  26          HH22      ARG  26 -12.838  -5.094   6.803
  495    H    LEU  27           H        LEU  27 -14.056  -3.859  -0.772
  496    HA   LEU  27           HA       LEU  27 -16.749  -3.342  -0.072
  497    HB2  LEU  27           HB3      LEU  27 -14.501  -1.530  -0.902
  498    HB3  LEU  27           HB2      LEU  27 -16.065  -0.939  -0.382
  499    HG   LEU  27           HG       LEU  27 -14.766  -2.828   1.460
  500   HD11  LEU  27          HD11      LEU  27 -12.868  -1.500   0.607
  501   HD12  LEU  27          HD12      LEU  27 -13.190  -1.263   2.326
  502   HD13  LEU  27          HD13      LEU  27 -13.697  -0.047   1.158
  503   HD21  LEU  27          HD21      LEU  27 -16.107  -0.155   1.796
  504   HD22  LEU  27          HD22      LEU  27 -15.580  -1.206   3.108
  505   HD23  LEU  27          HD23      LEU  27 -16.860  -1.734   2.015
  506    H    LYS  28           H        LYS  28 -14.992  -3.136  -3.116
  507    HA   LYS  28           HA       LYS  28 -16.828  -1.897  -4.752
  508    HB2  LYS  28           HB3      LYS  28 -15.044  -4.268  -5.273
  509    HB3  LYS  28           HB2      LYS  28 -16.048  -3.569  -6.533
  510    HG2  LYS  28           HG3      LYS  28 -13.964  -2.051  -4.980
  511    HG3  LYS  28           HG2      LYS  28 -13.703  -2.786  -6.563
  512    HD2  LYS  28           HD3      LYS  28 -15.668  -1.404  -7.373
  513    HD3  LYS  28           HD2      LYS  28 -15.561  -0.530  -5.845
  514    HE2  LYS  28           HE3      LYS  28 -13.358  -0.794  -7.888
  515    HE3  LYS  28           HE2      LYS  28 -14.371   0.628  -7.645
  516    HZ1  LYS  28           HZ1      LYS  28 -12.240   0.868  -6.555
  517    HZ2  LYS  28           HZ2      LYS  28 -12.508  -0.534  -5.650
  518    HZ3  LYS  28           HZ3      LYS  28 -13.482   0.830  -5.409
  519    H    LYS  29           H        LYS  29 -16.843  -5.252  -3.621
  520    HA   LYS  29           HA       LYS  29 -19.202  -5.951  -5.074
  521    HB2  LYS  29           HB3      LYS  29 -17.669  -7.307  -2.865
  522    HB3  LYS  29           HB2      LYS  29 -19.110  -7.993  -3.588
  523    HG2  LYS  29           HG3      LYS  29 -16.615  -7.289  -5.111
  524    HG3  LYS  29           HG2      LYS  29 -16.998  -8.900  -4.505
  525    HD2  LYS  29           HD3      LYS  29 -18.668  -7.328  -6.468
  526    HD3  LYS  29           HD2      LYS  29 -17.563  -8.635  -6.888
  527    HE2  LYS  29           HE3      LYS  29 -18.889 -10.175  -5.500
  528    HE3  LYS  29           HE2      LYS  29 -20.007  -8.863  -5.133
  529    HZ1  LYS  29           HZ1      LYS  29 -20.563  -8.715  -7.469
  530    HZ2  LYS  29           HZ2      LYS  29 -20.831 -10.286  -6.905
  531    HZ3  LYS  29           HZ3      LYS  29 -19.466  -9.945  -7.843
  532    H    LEU  30           H        LEU  30 -18.560  -4.508  -2.000
  533    HA   LEU  30           HA       LEU  30 -21.127  -5.170  -0.871
  534    HB2  LEU  30           HB3      LEU  30 -19.056  -3.163   0.020
  535    HB3  LEU  30           HB2      LEU  30 -20.482  -3.618   0.933
  536    HG   LEU  30           HG       LEU  30 -18.206  -5.466   0.210
  537   HD11  LEU  30          HD11      LEU  30 -18.976  -4.204   2.836
  538   HD12  LEU  30          HD12      LEU  30 -17.549  -3.824   1.873
  539   HD13  LEU  30          HD13      LEU  30 -17.717  -5.417   2.611
  540   HD21  LEU  30          HD21      LEU  30 -20.665  -5.913   1.897
  541   HD22  LEU  30          HD22      LEU  30 -19.315  -7.036   1.742
  542   HD23  LEU  30          HD23      LEU  30 -20.313  -6.660   0.338
  543    H    VAL  31           H        VAL  31 -19.661  -2.385  -2.470
  544    HA   VAL  31           HA       VAL  31 -22.061  -0.792  -2.195
  545    HB   VAL  31           HB       VAL  31 -19.650  -0.233  -3.943
  546   HG11  VAL  31          HG11      VAL  31 -20.390   2.092  -3.820
  547   HG12  VAL  31          HG12      VAL  31 -21.797   1.597  -2.878
  548   HG13  VAL  31          HG13      VAL  31 -21.621   1.062  -4.550
  549   HG21  VAL  31          HG21      VAL  31 -18.957  -0.489  -1.630
  550   HG22  VAL  31          HG22      VAL  31 -20.205   0.645  -1.116
  551   HG23  VAL  31          HG23      VAL  31 -18.868   1.202  -2.122
  552    H    GLY  32           H        GLY  32 -20.639  -2.944  -4.541
  553    HA2  GLY  32           HA3      GLY  32 -22.431  -2.023  -6.649
  554    HA3  GLY  32           HA2      GLY  32 -21.141  -3.204  -6.821
  555    H    GLU  33           H        GLU  33 -21.774  -4.970  -4.807
  556    HA   GLU  33           HA       GLU  33 -22.951  -6.852  -4.428
  557    HB2  GLU  33           HB3      GLU  33 -25.327  -5.113  -5.118
  558    HB3  GLU  33           HB2      GLU  33 -25.412  -6.691  -4.344
  559    HG2  GLU  33           HG3      GLU  33 -24.147  -5.829  -2.440
  560    HG3  GLU  33           HG2      GLU  33 -24.063  -4.247  -3.213
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  20.865   1.536   7.263
    2    H2   GLY   1           H2       GLY   1  21.866   2.156   6.054
    3    H3   GLY   1           H3       GLY   1  22.015   0.542   6.526
    4    HA2  GLY   1           HA2      GLY   1  20.861   0.700   4.421
    5    HA3  GLY   1           HA3      GLY   1  19.827   0.039   5.677
    6    H    SER   2           H        SER   2  20.686   3.089   4.081
    7    HA   SER   2           HA       SER   2  17.848   3.791   4.099
    8    HB2  SER   2           HB3      SER   2  18.942   4.966   6.014
    9    HB3  SER   2           HB2      SER   2  20.033   5.747   4.871
   10    HG   SER   2           HG       SER   2  17.994   6.872   5.579
   11    H    MET   3           H        MET   3  20.590   5.820   3.158
   12    HA   MET   3           HA       MET   3  21.354   6.560   1.159
   13    HB2  MET   3           HB3      MET   3  20.379   3.837   0.311
   14    HB3  MET   3           HB2      MET   3  21.267   4.915  -0.755
   15    HG2  MET   3           HG3      MET   3  23.201   4.810   0.610
   16    HG3  MET   3           HG2      MET   3  22.324   3.985   1.896
   17    HE1  MET   3           HE1      MET   3  21.826   3.188  -1.909
   18    HE2  MET   3           HE2      MET   3  23.095   2.001  -2.202
   19    HE3  MET   3           HE3      MET   3  23.518   3.678  -1.856
   20    H    LYS   4           H        LYS   4  20.731   6.949  -1.218
   21    HA   LYS   4           HA       LYS   4  18.231   8.299  -1.279
   22    HB2  LYS   4           HB3      LYS   4  20.317   8.941  -2.545
   23    HB3  LYS   4           HB2      LYS   4  20.011   7.582  -3.614
   24    HG2  LYS   4           HG3      LYS   4  17.847   8.591  -4.226
   25    HG3  LYS   4           HG2      LYS   4  18.244   9.983  -3.217
   26    HD2  LYS   4           HD3      LYS   4  20.308  10.290  -4.595
   27    HD3  LYS   4           HD2      LYS   4  19.712   9.022  -5.666
   28    HE2  LYS   4           HE3      LYS   4  19.147  11.166  -6.598
   29    HE3  LYS   4           HE2      LYS   4  17.671  10.368  -6.053
   30    HZ1  LYS   4           HZ1      LYS   4  17.683  12.686  -5.420
   31    HZ2  LYS   4           HZ2      LYS   4  19.143  12.491  -4.592
   32    HZ3  LYS   4           HZ3      LYS   4  17.748  11.714  -4.037
   33    H    GLN   5           H        GLN   5  19.374   5.181  -2.280
   34    HA   GLN   5           HA       GLN   5  17.397   4.608  -4.202
   35    HB2  GLN   5           HB3      GLN   5  19.174   2.754  -2.618
   36    HB3  GLN   5           HB2      GLN   5  18.198   2.270  -4.001
   37    HG2  GLN   5           HG3      GLN   5  19.432   3.888  -5.394
   38    HG3  GLN   5           HG2      GLN   5  20.451   4.266  -4.009
   39   HE21  GLN   5          HE21      GLN   5  21.145   3.178  -6.618
   40   HE22  GLN   5          HE22      GLN   5  21.947   1.676  -6.313
   41    H    LEU   6           H        LEU   6  17.637   3.672  -0.743
   42    HA   LEU   6           HA       LEU   6  15.204   2.186  -0.853
   43    HB2  LEU   6           HB3      LEU   6  16.758   3.284   1.485
   44    HB3  LEU   6           HB2      LEU   6  15.280   2.363   1.671
   45    HG   LEU   6           HG       LEU   6  16.434   0.469   0.452
   46   HD11  LEU   6          HD11      LEU   6  18.224   1.690  -0.616
   47   HD12  LEU   6          HD12      LEU   6  18.897   0.488   0.487
   48   HD13  LEU   6          HD13      LEU   6  18.857   2.188   0.952
   49   HD21  LEU   6          HD21      LEU   6  16.110   0.521   2.877
   50   HD22  LEU   6          HD22      LEU   6  17.644   1.371   3.058
   51   HD23  LEU   6          HD23      LEU   6  17.617  -0.278   2.431
   52    H    GLU   7           H        GLU   7  16.042   5.511  -0.109
   53    HA   GLU   7           HA       GLU   7  13.570   6.324   0.942
   54    HB2  GLU   7           HB3      GLU   7  15.904   7.676  -0.255
   55    HB3  GLU   7           HB2      GLU   7  14.394   8.567  -0.347
   56    HG2  GLU   7           HG3      GLU   7  15.457   9.289   1.612
   57    HG3  GLU   7           HG2      GLU   7  14.164   8.214   2.133
   58    H    ASP   8           H        ASP   8  14.722   6.228  -2.419
   59    HA   ASP   8           HA       ASP   8  12.354   7.446  -3.460
   60    HB2  ASP   8           HB3      ASP   8  14.725   6.108  -4.716
   61    HB3  ASP   8           HB2      ASP   8  13.322   6.537  -5.688
   62    H    LYS   9           H        LYS   9  13.142   4.211  -2.613
   63    HA   LYS   9           HA       LYS   9  11.026   3.170  -4.342
   64    HB2  LYS   9           HB3      LYS   9  13.245   1.863  -2.804
   65    HB3  LYS   9           HB2      LYS   9  11.877   0.924  -3.388
   66    HG2  LYS   9           HG3      LYS   9  12.364   1.603  -5.672
   67    HG3  LYS   9           HG2      LYS   9  13.712   2.588  -5.101
   68    HD2  LYS   9           HD3      LYS   9  14.896   0.650  -4.350
   69    HD3  LYS   9           HD2      LYS   9  13.503  -0.388  -4.663
   70    HE2  LYS   9           HE3      LYS   9  13.694   0.025  -7.042
   71    HE3  LYS   9           HE2      LYS   9  15.020   1.153  -6.765
   72    HZ1  LYS   9           HZ1      LYS   9  15.735  -1.088  -7.480
   73    HZ2  LYS   9           HZ2      LYS   9  15.112  -1.726  -6.047
   74    HZ3  LYS   9           HZ3      LYS   9  16.396  -0.623  -5.997
   75    H    VAL  10           H        VAL  10  11.986   2.976  -0.905
   76    HA   VAL  10           HA       VAL  10   9.628   1.591  -0.144
   77    HB   VAL  10           HB       VAL  10  11.522   3.177   1.601
   78   HG11  VAL  10          HG11      VAL  10   9.392   2.746   2.705
   79   HG12  VAL  10          HG12      VAL  10  10.675   1.774   3.425
   80   HG13  VAL  10          HG13      VAL  10   9.523   1.030   2.315
   81   HG21  VAL  10          HG21      VAL  10  12.683   1.438   0.350
   82   HG22  VAL  10          HG22      VAL  10  11.505   0.244   0.892
   83   HG23  VAL  10          HG23      VAL  10  12.582   1.014   2.059
   84    H    GLU  11           H        GLU  11  10.609   5.008   0.288
   85    HA   GLU  11           HA       GLU  11   8.153   5.732   1.535
   86    HB2  GLU  11           HB3      GLU  11  10.250   7.457   0.208
   87    HB3  GLU  11           HB2      GLU  11   8.906   8.068   1.163
   88    HG2  GLU  11           HG3      GLU  11   9.763   6.735   3.083
   89    HG3  GLU  11           HG2      GLU  11  11.182   6.351   2.111
   90    H    GLU  12           H        GLU  12   9.139   5.360  -1.740
   91    HA   GLU  12           HA       GLU  12   7.169   6.841  -3.061
   92    HB2  GLU  12           HB3      GLU  12   9.052   5.686  -4.187
   93    HB3  GLU  12           HB2      GLU  12   8.282   4.142  -3.853
   94    HG2  GLU  12           HG3      GLU  12   7.881   4.800  -6.136
   95    HG3  GLU  12           HG2      GLU  12   6.370   4.809  -5.229
   96    H    LEU  13           H        LEU  13   7.050   3.384  -2.086
   97    HA   LEU  13           HA       LEU  13   4.278   3.180  -2.578
   98    HB2  LEU  13           HB3      LEU  13   6.128   1.452  -0.952
   99    HB3  LEU  13           HB2      LEU  13   4.404   1.137  -1.063
  100    HG   LEU  13           HG       LEU  13   4.823   1.279  -3.629
  101   HD11  LEU  13          HD11      LEU  13   7.021   0.394  -4.274
  102   HD12  LEU  13          HD12      LEU  13   7.561   0.549  -2.602
  103   HD13  LEU  13          HD13      LEU  13   7.132   1.988  -3.526
  104   HD21  LEU  13          HD21      LEU  13   5.649  -1.097  -1.959
  105   HD22  LEU  13          HD22      LEU  13   5.221  -1.148  -3.670
  106   HD23  LEU  13          HD23      LEU  13   4.008  -0.696  -2.471
  107    H    LEU  14           H        LEU  14   6.041   4.294   0.222
  108    HA   LEU  14           HA       LEU  14   4.076   4.273   2.158
  109    HB2  LEU  14           HB3      LEU  14   6.278   6.175   1.491
  110    HB3  LEU  14           HB2      LEU  14   5.108   6.652   2.695
  111    HG   LEU  14           HG       LEU  14   7.410   5.461   3.295
  112   HD11  LEU  14          HD11      LEU  14   6.369   4.807   5.425
  113   HD12  LEU  14          HD12      LEU  14   4.780   5.074   4.705
  114   HD13  LEU  14          HD13      LEU  14   5.907   6.417   4.885
  115   HD21  LEU  14          HD21      LEU  14   7.226   3.145   3.715
  116   HD22  LEU  14          HD22      LEU  14   6.719   3.379   2.041
  117   HD23  LEU  14          HD23      LEU  14   5.514   3.127   3.306
  118    H    SER  15           H        SER  15   4.611   6.705  -0.366
  119    HA   SER  15           HA       SER  15   2.225   8.128   0.327
  120    HB2  SER  15           HB3      SER  15   2.715   9.276  -1.944
  121    HB3  SER  15           HB2      SER  15   3.854   9.511  -0.620
  122    HG   SER  15           HG       SER  15   5.328   8.470  -1.705
  123    H    LYS  16           H        LYS  16   3.089   5.619  -2.010
  124    HA   LYS  16           HA       LYS  16   0.787   5.789  -3.602
  125    HB2  LYS  16           HB3      LYS  16   2.844   4.454  -4.124
  126    HB3  LYS  16           HB2      LYS  16   2.313   3.271  -2.936
  127    HG2  LYS  16           HG3      LYS  16   0.345   2.773  -4.224
  128    HG3  LYS  16           HG2      LYS  16   0.718   4.067  -5.364
  129    HD2  LYS  16           HD3      LYS  16   1.374   1.994  -6.362
  130    HD3  LYS  16           HD2      LYS  16   2.839   2.865  -5.915
  131    HE2  LYS  16           HE3      LYS  16   3.159   0.597  -5.287
  132    HE3  LYS  16           HE2      LYS  16   2.887   1.513  -3.807
  133    HZ1  LYS  16           HZ1      LYS  16   0.931  -0.209  -5.222
  134    HZ2  LYS  16           HZ2      LYS  16   0.537   0.780  -3.909
  135    HZ3  LYS  16           HZ3      LYS  16   1.633  -0.495  -3.707
  136    H    ASN  17           H        ASN  17   1.408   3.698  -0.734
  137    HA   ASN  17           HA       ASN  17  -1.311   2.803  -0.822
  138    HB2  ASN  17           HB3      ASN  17  -0.823   1.539   1.236
  139    HB3  ASN  17           HB2      ASN  17   0.292   1.197  -0.072
  140   HD21  ASN  17          HD21      ASN  17   0.472   4.010   2.076
  141   HD22  ASN  17          HD22      ASN  17   1.944   3.534   2.831
  142    H    TYR  18           H        TYR  18   0.268   5.483   0.571
  143    HA   TYR  18           HA       TYR  18  -1.458   6.015   2.730
  144    HB2  TYR  18           HB3      TYR  18   0.654   7.239   2.376
  145    HB3  TYR  18           HB2      TYR  18  -0.025   7.995   0.939
  146    HD1  TYR  18           HD1      TYR  18  -0.166   7.859   4.614
  147    HD2  TYR  18           HD2      TYR  18  -1.561   9.839   1.117
  148    HE1  TYR  18           HE1      TYR  18  -1.050   9.681   6.006
  149    HE2  TYR  18           HE2      TYR  18  -2.447  11.665   2.501
  150    HH   TYR  18           HH       TYR  18  -1.650  12.035   5.792
  151    H    HIS  19           H        HIS  19  -1.545   7.274  -0.613
  152    HA   HIS  19           HA       HIS  19  -4.065   8.557  -0.277
  153    HB2  HIS  19           HB3      HIS  19  -2.544   7.749  -2.761
  154    HB3  HIS  19           HB2      HIS  19  -4.058   8.645  -2.805
  155    HD1  HIS  19           HD1      HIS  19  -3.929  11.134  -2.476
  156    HD2  HIS  19           HD2      HIS  19  -0.373   9.206  -1.535
  157    HE1  HIS  19           HE1      HIS  19  -2.242  12.962  -2.129
  158    HE2  HIS  19           HE2      HIS  19  -0.154  11.773  -1.370
  159    H    LEU  20           H        LEU  20  -3.052   5.447  -1.494
  160    HA   LEU  20           HA       LEU  20  -5.403   4.336  -2.359
  161    HB2  LEU  20           HB3      LEU  20  -3.417   3.144  -2.638
  162    HB3  LEU  20           HB2      LEU  20  -2.969   3.331  -0.966
  163    HG   LEU  20           HG       LEU  20  -3.522   1.034  -1.767
  164   HD11  LEU  20          HD11      LEU  20  -4.558   0.455   0.369
  165   HD12  LEU  20          HD12      LEU  20  -4.949   2.147   0.631
  166   HD13  LEU  20          HD13      LEU  20  -3.266   1.629   0.558
  167   HD21  LEU  20          HD21      LEU  20  -5.889   0.384  -1.714
  168   HD22  LEU  20          HD22      LEU  20  -5.532   1.494  -3.037
  169   HD23  LEU  20          HD23      LEU  20  -6.339   2.084  -1.585
  170    H    GLU  21           H        GLU  21  -4.218   4.589   1.007
  171    HA   GLU  21           HA       GLU  21  -6.367   3.085   2.079
  172    HB2  GLU  21           HB3      GLU  21  -4.400   4.966   3.358
  173    HB3  GLU  21           HB2      GLU  21  -5.627   4.103   4.279
  174    HG2  GLU  21           HG3      GLU  21  -4.714   1.969   3.492
  175    HG3  GLU  21           HG2      GLU  21  -3.486   2.839   2.575
  176    H    ASN  22           H        ASN  22  -6.139   6.347   1.062
  177    HA   ASN  22           HA       ASN  22  -8.397   7.340   2.495
  178    HB2  ASN  22           HB3      ASN  22  -7.247   8.239  -0.160
  179    HB3  ASN  22           HB2      ASN  22  -8.442   9.121   0.780
  180   HD21  ASN  22          HD21      ASN  22  -5.819   9.944  -0.093
  181   HD22  ASN  22          HD22      ASN  22  -4.936  10.360   1.334
  182    H    GLU  23           H        GLU  23  -7.878   5.545  -0.435
  183    HA   GLU  23           HA       GLU  23 -10.534   5.845  -1.460
  184    HB2  GLU  23           HB3      GLU  23  -8.611   5.423  -2.936
  185    HB3  GLU  23           HB2      GLU  23  -8.384   3.835  -2.176
  186    HG2  GLU  23           HG3      GLU  23 -10.517   3.092  -3.028
  187    HG3  GLU  23           HG2      GLU  23 -10.846   4.692  -3.690
  188    H    VAL  24           H        VAL  24  -8.864   3.479   0.543
  189    HA   VAL  24           HA       VAL  24 -10.929   1.532   0.515
  190    HB   VAL  24           HB       VAL  24  -9.122   2.028   2.879
  191   HG11  VAL  24          HG11      VAL  24  -9.317  -0.406   3.169
  192   HG12  VAL  24          HG12      VAL  24 -10.384  -0.486   1.766
  193   HG13  VAL  24          HG13      VAL  24 -10.890   0.387   3.212
  194   HG21  VAL  24          HG21      VAL  24  -8.464   0.624   0.305
  195   HG22  VAL  24          HG22      VAL  24  -7.544   0.423   1.791
  196   HG23  VAL  24          HG23      VAL  24  -7.633   2.003   1.017
  197    H    ALA  25           H        ALA  25 -10.309   4.431   2.382
  198    HA   ALA  25           HA       ALA  25 -12.447   4.049   4.234
  199    HB1  ALA  25           HB1      ALA  25 -12.041   6.347   4.893
  200    HB2  ALA  25           HB2      ALA  25 -11.037   6.602   3.467
  201    HB3  ALA  25           HB3      ALA  25 -10.513   5.483   4.725
  202    H    ARG  26           H        ARG  26 -12.153   5.463   1.046
  203    HA   ARG  26           HA       ARG  26 -14.536   6.965   1.063
  204    HB2  ARG  26           HB3      ARG  26 -14.105   7.423  -1.137
  205    HB3  ARG  26           HB2      ARG  26 -12.523   6.826  -0.675
  206    HG2  ARG  26           HG3      ARG  26 -12.996   4.662  -1.662
  207    HG3  ARG  26           HG2      ARG  26 -14.646   5.182  -2.040
  208    HD2  ARG  26           HD2      ARG  26 -12.095   6.346  -3.152
  209    HD3  ARG  26           HD1      ARG  26 -13.234   5.310  -4.010
  210    HE   ARG  26           HE       ARG  26 -14.054   7.941  -2.983
  211   HH11  ARG  26          HH11      ARG  26 -13.665   5.705  -5.649
  212   HH12  ARG  26          HH12      ARG  26 -14.545   6.692  -6.768
  213   HH21  ARG  26          HH21      ARG  26 -15.186   9.248  -4.452
  214   HH22  ARG  26          HH22      ARG  26 -15.411   8.715  -6.087
  215    H    LEU  27           H        LEU  27 -13.811   3.670   0.093
  216    HA   LEU  27           HA       LEU  27 -16.482   3.005  -0.626
  217    HB2  LEU  27           HB3      LEU  27 -14.188   1.211   0.134
  218    HB3  LEU  27           HB2      LEU  27 -15.683   0.711  -0.619
  219    HG   LEU  27           HG       LEU  27 -13.908   2.692  -1.961
  220   HD11  LEU  27          HD11      LEU  27 -13.768  -0.290  -2.288
  221   HD12  LEU  27          HD12      LEU  27 -12.599   0.669  -1.379
  222   HD13  LEU  27          HD13      LEU  27 -12.791   0.923  -3.115
  223   HD21  LEU  27          HD21      LEU  27 -15.012   1.702  -3.960
  224   HD22  LEU  27          HD22      LEU  27 -16.126   2.505  -2.854
  225   HD23  LEU  27          HD23      LEU  27 -16.013   0.743  -2.866
  226    H    LYS  28           H        LYS  28 -14.535   2.462   2.283
  227    HA   LYS  28           HA       LYS  28 -16.262   0.867   3.706
  228    HB2  LYS  28           HB3      LYS  28 -13.925   1.541   4.337
  229    HB3  LYS  28           HB2      LYS  28 -14.588   3.063   4.912
  230    HG2  LYS  28           HG3      LYS  28 -15.847   1.969   6.603
  231    HG3  LYS  28           HG2      LYS  28 -15.473   0.380   5.935
  232    HD2  LYS  28           HD3      LYS  28 -13.083   0.784   6.426
  233    HD3  LYS  28           HD2      LYS  28 -13.529   2.313   7.185
  234    HE2  LYS  28           HE3      LYS  28 -14.867   1.139   8.828
  235    HE3  LYS  28           HE2      LYS  28 -14.529  -0.399   8.038
  236    HZ1  LYS  28           HZ1      LYS  28 -13.122  -0.108   9.953
  237    HZ2  LYS  28           HZ2      LYS  28 -12.537   1.363   9.357
  238    HZ3  LYS  28           HZ3      LYS  28 -12.178  -0.081   8.551
  239    H    LYS  29           H        LYS  29 -16.299   4.432   3.500
  240    HA   LYS  29           HA       LYS  29 -18.488   4.613   5.319
  241    HB2  LYS  29           HB3      LYS  29 -18.504   6.962   4.825
  242    HB3  LYS  29           HB2      LYS  29 -16.864   6.426   5.113
  243    HG2  LYS  29           HG3      LYS  29 -16.434   6.434   2.711
  244    HG3  LYS  29           HG2      LYS  29 -18.094   6.960   2.414
  245    HD2  LYS  29           HD3      LYS  29 -17.684   9.009   3.668
  246    HD3  LYS  29           HD2      LYS  29 -16.041   8.479   4.022
  247    HE2  LYS  29           HE3      LYS  29 -16.050  10.089   2.205
  248    HE3  LYS  29           HE2      LYS  29 -15.520   8.513   1.630
  249    HZ1  LYS  29           HZ1      LYS  29 -17.702   8.137   0.704
  250    HZ2  LYS  29           HZ2      LYS  29 -17.078   9.586   0.104
  251    HZ3  LYS  29           HZ3      LYS  29 -18.258   9.610   1.314
  252    H    LEU  30           H        LEU  30 -18.182   4.211   1.903
  253    HA   LEU  30           HA       LEU  30 -20.857   4.948   1.231
  254    HB2  LEU  30           HB3      LEU  30 -18.768   3.283  -0.133
  255    HB3  LEU  30           HB2      LEU  30 -20.360   3.527  -0.826
  256    HG   LEU  30           HG       LEU  30 -18.358   5.707  -0.217
  257   HD11  LEU  30          HD11      LEU  30 -19.240   4.516  -2.842
  258   HD12  LEU  30          HD12      LEU  30 -17.661   4.312  -2.085
  259   HD13  LEU  30          HD13      LEU  30 -18.170   5.903  -2.648
  260   HD21  LEU  30          HD21      LEU  30 -20.633   6.514   0.003
  261   HD22  LEU  30          HD22      LEU  30 -21.057   5.812  -1.558
  262   HD23  LEU  30          HD23      LEU  30 -19.908   7.146  -1.474
  263    H    VAL  31           H        VAL  31 -19.312   2.025   2.376
  264    HA   VAL  31           HA       VAL  31 -21.651   0.396   1.869
  265    HB   VAL  31           HB       VAL  31 -19.240  -0.368   3.522
  266   HG11  VAL  31          HG11      VAL  31 -19.866  -2.649   2.937
  267   HG12  VAL  31          HG12      VAL  31 -21.241  -2.046   2.011
  268   HG13  VAL  31          HG13      VAL  31 -21.192  -1.827   3.762
  269   HG21  VAL  31          HG21      VAL  31 -18.298  -1.356   1.513
  270   HG22  VAL  31          HG22      VAL  31 -18.514   0.382   1.310
  271   HG23  VAL  31          HG23      VAL  31 -19.650  -0.742   0.562
  272    H    GLY  32           H        GLY  32 -20.338   2.267   4.507
  273    HA2  GLY  32           HA3      GLY  32 -22.723   2.013   6.009
  274    HA3  GLY  32           HA2      GLY  32 -21.500   0.945   6.668
  275    H    GLU  33           H        GLU  33 -19.332   2.906   5.942
  276    HA   GLU  33           HA       GLU  33 -18.089   4.400   7.109
  277    HB2  GLU  33           HB3      GLU  33 -19.827   5.979   6.312
  278    HB3  GLU  33           HB2      GLU  33 -20.750   5.675   7.776
  279    HG2  GLU  33           HG3      GLU  33 -18.912   6.579   9.116
  280    HG3  GLU  33           HG2      GLU  33 -18.003   6.899   7.639
  281    H1   GLY   1           H1       GLY   1  20.812  -1.779  -7.971
  282    H2   GLY   1           H2       GLY   1  21.825  -2.403  -6.772
  283    H3   GLY   1           H3       GLY   1  21.979  -0.791  -7.253
  284    HA2  GLY   1           HA2      GLY   1  20.849  -0.934  -5.133
  285    HA3  GLY   1           HA3      GLY   1  19.809  -0.270  -6.382
  286    H    SER   2           H        SER   2  20.666  -3.316  -4.785
  287    HA   SER   2           HA       SER   2  17.823  -4.009  -4.781
  288    HB2  SER   2           HB3      SER   2  18.898  -5.197  -6.697
  289    HB3  SER   2           HB2      SER   2  20.003  -5.966  -5.562
  290    HG   SER   2           HG       SER   2  17.928  -7.077  -6.254
  291    H    MET   3           H        MET   3  20.564  -6.038  -3.851
  292    HA   MET   3           HA       MET   3  21.341  -6.773  -1.851
  293    HB2  MET   3           HB3      MET   3  20.376  -4.043  -1.011
  294    HB3  MET   3           HB2      MET   3  21.261  -5.119   0.060
  295    HG2  MET   3           HG3      MET   3  23.195  -5.030  -1.313
  296    HG3  MET   3           HG2      MET   3  22.317  -4.202  -2.597
  297    HE1  MET   3           HE1      MET   3  21.830  -3.384   1.206
  298    HE2  MET   3           HE2      MET   3  23.111  -2.207   1.492
  299    HE3  MET   3           HE3      MET   3  23.517  -3.889   1.153
  300    H    LYS   4           H        LYS   4  20.729  -7.142   0.546
  301    HA   LYS   4           HA       LYS   4  18.221  -8.492   0.613
  302    HB2  LYS   4           HB3      LYS   4  20.308  -9.138   1.875
  303    HB3  LYS   4           HB2      LYS   4  20.011  -7.776   2.941
  304    HG2  LYS   4           HG3      LYS   4  17.847  -8.776   3.564
  305    HG3  LYS   4           HG2      LYS   4  18.236 -10.174   2.558
  306    HD2  LYS   4           HD3      LYS   4  20.307 -10.479   3.929
  307    HD3  LYS   4           HD2      LYS   4  19.717  -9.206   5.000
  308    HE2  LYS   4           HE3      LYS   4  19.150 -11.345   5.938
  309    HE3  LYS   4           HE2      LYS   4  17.674 -10.549   5.393
  310    HZ1  LYS   4           HZ1      LYS   4  17.694 -12.872   4.764
  311    HZ2  LYS   4           HZ2      LYS   4  19.144 -12.669   3.922
  312    HZ3  LYS   4           HZ3      LYS   4  17.739 -11.899   3.385
  313    H    GLN   5           H        GLN   5  19.380  -5.376   1.593
  314    HA   GLN   5           HA       GLN   5  17.416  -4.787   3.524
  315    HB2  GLN   5           HB3      GLN   5  19.188  -2.948   1.922
  316    HB3  GLN   5           HB2      GLN   5  18.220  -2.453   3.306
  317    HG2  GLN   5           HG3      GLN   5  19.455  -4.067   4.704
  318    HG3  GLN   5           HG2      GLN   5  20.467  -4.453   3.317
  319   HE21  GLN   5          HE21      GLN   5  21.182  -3.352   5.916
  320   HE22  GLN   5          HE22      GLN   5  21.984  -1.854   5.593
  321    H    LEU   6           H        LEU   6  17.632  -3.871   0.061
  322    HA   LEU   6           HA       LEU   6  15.205  -2.377   0.179
  323    HB2  LEU   6           HB3      LEU   6  16.748  -3.486  -2.161
  324    HB3  LEU   6           HB2      LEU   6  15.271  -2.564  -2.346
  325    HG   LEU   6           HG       LEU   6  16.436  -0.667  -1.139
  326   HD11  LEU   6          HD11      LEU   6  18.229  -1.890  -0.079
  327   HD12  LEU   6          HD12      LEU   6  18.897  -0.693  -1.189
  328   HD13  LEU   6          HD13      LEU   6  18.849  -2.394  -1.650
  329   HD21  LEU   6          HD21      LEU   6  16.099  -0.725  -3.563
  330   HD22  LEU   6          HD22      LEU   6  17.630  -1.580  -3.748
  331   HD23  LEU   6          HD23      LEU   6  17.609   0.070  -3.125
  332    H    GLU   7           H        GLU   7  16.033  -5.708  -0.559
  333    HA   GLU   7           HA       GLU   7  13.554  -6.518  -1.598
  334    HB2  GLU   7           HB3      GLU   7  15.890  -7.868  -0.404
  335    HB3  GLU   7           HB2      GLU   7  14.378  -8.757  -0.298
  336    HG2  GLU   7           HG3      GLU   7  15.432  -9.492  -2.260
  337    HG3  GLU   7           HG2      GLU   7  14.137  -8.419  -2.780
  338    H    ASP   8           H        ASP   8  14.723  -6.416   1.757
  339    HA   ASP   8           HA       ASP   8  12.356  -7.618   2.816
  340    HB2  ASP   8           HB3      ASP   8  14.737  -6.287   4.057
  341    HB3  ASP   8           HB2      ASP   8  13.333  -6.697   5.037
  342    H    LYS   9           H        LYS   9  13.147  -4.390   1.948
  343    HA   LYS   9           HA       LYS   9  11.044  -3.334   3.685
  344    HB2  LYS   9           HB3      LYS   9  13.259  -2.036   2.134
  345    HB3  LYS   9           HB2      LYS   9  11.894  -1.095   2.720
  346    HG2  LYS   9           HG3      LYS   9  12.387  -1.763   5.004
  347    HG3  LYS   9           HG2      LYS   9  13.731  -2.755   4.433
  348    HD2  LYS   9           HD3      LYS   9  14.919  -0.825   3.673
  349    HD3  LYS   9           HD2      LYS   9  13.531   0.219   3.983
  350    HE2  LYS   9           HE3      LYS   9  13.726  -0.180   6.363
  351    HE3  LYS   9           HE2      LYS   9  15.041  -1.320   6.091
  352    HZ1  LYS   9           HZ1      LYS   9  15.783   0.916   6.792
  353    HZ2  LYS   9           HZ2      LYS   9  15.154   1.553   5.357
  354    HZ3  LYS   9           HZ3      LYS   9  16.426   0.439   5.303
  355    H    VAL  10           H        VAL  10  11.989  -3.155   0.244
  356    HA   VAL  10           HA       VAL  10   9.633  -1.763  -0.508
  357    HB   VAL  10           HB       VAL  10  11.511  -3.363  -2.257
  358   HG11  VAL  10          HG11      VAL  10   9.377  -2.932  -3.354
  359   HG12  VAL  10          HG12      VAL  10  10.659  -1.965  -4.084
  360   HG13  VAL  10          HG13      VAL  10   9.514  -1.216  -2.971
  361   HG21  VAL  10          HG21      VAL  10  12.679  -1.624  -1.015
  362   HG22  VAL  10          HG22      VAL  10  11.502  -0.427  -1.561
  363   HG23  VAL  10          HG23      VAL  10  12.574  -1.205  -2.725
  364    H    GLU  11           H        GLU  11  10.597  -5.185  -0.935
  365    HA   GLU  11           HA       GLU  11   8.134  -5.904  -2.168
  366    HB2  GLU  11           HB3      GLU  11  10.231  -7.626  -0.837
  367    HB3  GLU  11           HB2      GLU  11   8.880  -8.242  -1.780
  368    HG2  GLU  11           HG3      GLU  11   9.735  -6.920  -3.716
  369    HG3  GLU  11           HG2      GLU  11  11.162  -6.544  -2.751
  370    H    GLU  12           H        GLU  12   9.140  -5.534   1.107
  371    HA   GLU  12           HA       GLU  12   7.172  -7.000   2.439
  372    HB2  GLU  12           HB3      GLU  12   9.060  -5.845   3.552
  373    HB3  GLU  12           HB2      GLU  12   8.293  -4.300   3.216
  374    HG2  GLU  12           HG3      GLU  12   7.904  -4.950   5.503
  375    HG3  GLU  12           HG2      GLU  12   6.386  -4.951   4.605
  376    H    LEU  13           H        LEU  13   7.053  -3.548   1.455
  377    HA   LEU  13           HA       LEU  13   4.285  -3.334   1.958
  378    HB2  LEU  13           HB3      LEU  13   6.131  -1.618   0.317
  379    HB3  LEU  13           HB2      LEU  13   4.411  -1.297   0.434
  380    HG   LEU  13           HG       LEU  13   4.840  -1.428   2.998
  381   HD11  LEU  13          HD11      LEU  13   7.042  -0.549   3.634
  382   HD12  LEU  13          HD12      LEU  13   7.578  -0.709   1.961
  383   HD13  LEU  13          HD13      LEU  13   7.148  -2.145   2.892
  384   HD21  LEU  13          HD21      LEU  13   5.664   0.937   1.313
  385   HD22  LEU  13          HD22      LEU  13   5.245   0.998   3.025
  386   HD23  LEU  13          HD23      LEU  13   4.025   0.543   1.834
  387    H    LEU  14           H        LEU  14   6.034  -4.463  -0.849
  388    HA   LEU  14           HA       LEU  14   4.058  -4.445  -2.775
  389    HB2  LEU  14           HB3      LEU  14   6.262  -6.346  -2.112
  390    HB3  LEU  14           HB2      LEU  14   5.085  -6.828  -3.308
  391    HG   LEU  14           HG       LEU  14   7.385  -5.643  -3.926
  392   HD11  LEU  14          HD11      LEU  14   6.333  -4.992  -6.048
  393   HD12  LEU  14          HD12      LEU  14   4.749  -5.258  -5.318
  394   HD13  LEU  14          HD13      LEU  14   5.875  -6.602  -5.502
  395   HD21  LEU  14          HD21      LEU  14   7.204  -3.327  -4.349
  396   HD22  LEU  14          HD22      LEU  14   6.704  -3.556  -2.673
  397   HD23  LEU  14          HD23      LEU  14   5.494  -3.306  -3.932
  398    H    SER  15           H        SER  15   4.605  -6.866  -0.243
  399    HA   SER  15           HA       SER  15   2.211  -8.284  -0.922
  400    HB2  SER  15           HB3      SER  15   2.716  -9.422   1.353
  401    HB3  SER  15           HB2      SER  15   3.839  -9.668   0.017
  402    HG   SER  15           HG       SER  15   5.331  -8.646   1.086
  403    H    LYS  16           H        LYS  16   3.088  -5.768   1.400
  404    HA   LYS  16           HA       LYS  16   0.794  -5.929   3.006
  405    HB2  LYS  16           HB3      LYS  16   2.861  -4.602   3.515
  406    HB3  LYS  16           HB2      LYS  16   2.328  -3.419   2.328
  407    HG2  LYS  16           HG3      LYS  16   0.374  -2.916   3.625
  408    HG3  LYS  16           HG2      LYS  16   0.746  -4.204   4.768
  409    HD2  LYS  16           HD3      LYS  16   1.407  -2.125   5.752
  410    HD3  LYS  16           HD2      LYS  16   2.871  -3.002   5.306
  411    HE2  LYS  16           HE3      LYS  16   3.191  -0.739   4.661
  412    HE3  LYS  16           HE2      LYS  16   2.911  -1.663   3.188
  413    HZ1  LYS  16           HZ1      LYS  16   0.969   0.078   4.597
  414    HZ2  LYS  16           HZ2      LYS  16   0.562  -0.926   3.300
  415    HZ3  LYS  16           HZ3      LYS  16   1.660   0.343   3.076
  416    H    ASN  17           H        ASN  17   1.409  -3.848   0.130
  417    HA   ASN  17           HA       ASN  17  -1.308  -2.944   0.228
  418    HB2  ASN  17           HB3      ASN  17  -0.827  -1.691  -1.841
  419    HB3  ASN  17           HB2      ASN  17   0.294  -1.343  -0.539
  420   HD21  ASN  17          HD21      ASN  17   0.460  -4.169  -2.667
  421   HD22  ASN  17          HD22      ASN  17   1.928  -3.702  -3.433
  422    H    TYR  18           H        TYR  18   0.259  -5.630  -1.167
  423    HA   TYR  18           HA       TYR  18  -1.484  -6.168  -3.310
  424    HB2  TYR  18           HB3      TYR  18   0.628  -7.394  -2.967
  425    HB3  TYR  18           HB2      TYR  18  -0.045  -8.145  -1.524
  426    HD1  TYR  18           HD1      TYR  18  -0.207  -8.021  -5.201
  427    HD2  TYR  18           HD2      TYR  18  -1.586  -9.982  -1.687
  428    HE1  TYR  18           HE1      TYR  18  -1.104  -9.850  -6.577
  429    HE2  TYR  18           HE2      TYR  18  -2.485 -11.813  -3.055
  430    HH   TYR  18           HH       TYR  18  -1.724 -12.176  -6.375
  431    H    HIS  19           H        HIS  19  -1.557  -7.412   0.040
  432    HA   HIS  19           HA       HIS  19  -4.078  -8.700  -0.281
  433    HB2  HIS  19           HB3      HIS  19  -2.542  -7.882   2.191
  434    HB3  HIS  19           HB2      HIS  19  -4.058  -8.772   2.251
  435    HD1  HIS  19           HD1      HIS  19  -3.941 -11.265   1.938
  436    HD2  HIS  19           HD2      HIS  19  -0.380  -9.351   0.966
  437    HE1  HIS  19           HE1      HIS  19  -2.266 -13.100   1.552
  438    HE2  HIS  19           HE2      HIS  19  -0.160 -11.919   0.831
  439    H    LEU  20           H        LEU  20  -3.060  -5.584   0.921
  440    HA   LEU  20           HA       LEU  20  -5.403  -4.460   1.785
  441    HB2  LEU  20           HB3      LEU  20  -3.412  -3.278   2.048
  442    HB3  LEU  20           HB2      LEU  20  -2.973  -3.469   0.373
  443    HG   LEU  20           HG       LEU  20  -3.513  -1.169   1.171
  444   HD11  LEU  20          HD11      LEU  20  -4.558  -0.594  -0.961
  445   HD12  LEU  20          HD12      LEU  20  -4.959  -2.285  -1.213
  446   HD13  LEU  20          HD13      LEU  20  -3.273  -1.777  -1.153
  447   HD21  LEU  20          HD21      LEU  20  -5.881  -0.514   1.131
  448   HD22  LEU  20          HD22      LEU  20  -5.515  -1.620   2.456
  449   HD23  LEU  20          HD23      LEU  20  -6.333  -2.215   1.011
  450    H    GLU  21           H        GLU  21  -4.228  -4.730  -1.579
  451    HA   GLU  21           HA       GLU  21  -6.377  -3.228  -2.653
  452    HB2  GLU  21           HB3      GLU  21  -4.419  -5.119  -3.935
  453    HB3  GLU  21           HB2      GLU  21  -5.647  -4.255  -4.853
  454    HG2  GLU  21           HG3      GLU  21  -4.726  -2.122  -4.073
  455    HG3  GLU  21           HG2      GLU  21  -3.496  -2.992  -3.162
  456    H    ASN  22           H        ASN  22  -6.156  -6.482  -1.613
  457    HA   ASN  22           HA       ASN  22  -8.419  -7.476  -3.043
  458    HB2  ASN  22           HB3      ASN  22  -7.257  -8.377  -0.393
  459    HB3  ASN  22           HB2      ASN  22  -8.462  -9.256  -1.323
  460   HD21  ASN  22          HD21      ASN  22  -5.833 -10.087  -0.463
  461   HD22  ASN  22          HD22      ASN  22  -4.966 -10.513  -1.898
  462    H    GLU  23           H        GLU  23  -7.888  -5.665  -0.126
  463    HA   GLU  23           HA       GLU  23 -10.541  -5.963   0.916
  464    HB2  GLU  23           HB3      GLU  23  -8.608  -5.544   2.383
  465    HB3  GLU  23           HB2      GLU  23  -8.380  -3.959   1.618
  466    HG2  GLU  23           HG3      GLU  23 -10.506  -3.207   2.480
  467    HG3  GLU  23           HG2      GLU  23 -10.836  -4.804   3.151
  468    H    VAL  24           H        VAL  24  -8.870  -3.606  -1.100
  469    HA   VAL  24           HA       VAL  24 -10.931  -1.656  -1.072
  470    HB   VAL  24           HB       VAL  24  -9.138  -2.162  -3.444
  471   HG11  VAL  24          HG11      VAL  24  -9.327   0.271  -3.741
  472   HG12  VAL  24          HG12      VAL  24 -10.386   0.358  -2.332
  473   HG13  VAL  24          HG13      VAL  24 -10.903  -0.518  -3.774
  474   HG21  VAL  24          HG21      VAL  24  -8.460  -0.755  -0.877
  475   HG22  VAL  24          HG22      VAL  24  -7.549  -0.559  -2.369
  476   HG23  VAL  24          HG23      VAL  24  -7.639  -2.137  -1.591
  477    H    ALA  25           H        ALA  25 -10.330  -4.562  -2.929
  478    HA   ALA  25           HA       ALA  25 -12.474  -4.180  -4.774
  479    HB1  ALA  25           HB1      ALA  25 -12.074  -6.483  -5.428
  480    HB2  ALA  25           HB2      ALA  25 -11.063  -6.731  -4.007
  481    HB3  ALA  25           HB3      ALA  25 -10.545  -5.618  -5.273
  482    H    ARG  26           H        ARG  26 -12.171  -5.576  -1.581
  483    HA   ARG  26           HA       ARG  26 -14.556  -7.079  -1.585
  484    HB2  ARG  26           HB3      ARG  26 -14.115  -7.532   0.615
  485    HB3  ARG  26           HB2      ARG  26 -12.533  -6.942   0.144
  486    HG2  ARG  26           HG3      ARG  26 -12.997  -4.773   1.123
  487    HG3  ARG  26           HG2      ARG  26 -14.645  -5.286   1.511
  488    HD2  ARG  26           HD2      ARG  26 -12.090  -6.449   2.620
  489    HD3  ARG  26           HD1      ARG  26 -13.224  -5.407   3.477
  490    HE   ARG  26           HE       ARG  26 -14.043  -8.050   2.469
  491   HH11  ARG  26          HH11      ARG  26 -13.662  -5.783   5.123
  492   HH12  ARG  26          HH12      ARG  26 -14.550  -6.764   6.244
  493   HH21  ARG  26          HH21      ARG  26 -15.189  -9.340   3.951
  494   HH22  ARG  26          HH22      ARG  26 -15.422  -8.779   5.576
  495    H    LEU  27           H        LEU  27 -13.816  -3.783  -0.632
  496    HA   LEU  27           HA       LEU  27 -16.481  -3.106   0.099
  497    HB2  LEU  27           HB3      LEU  27 -14.187  -1.320  -0.681
  498    HB3  LEU  27           HB2      LEU  27 -15.677  -0.815   0.079
  499    HG   LEU  27           HG       LEU  27 -13.899  -2.795   1.417
  500   HD11  LEU  27          HD11      LEU  27 -13.752   0.188   1.733
  501   HD12  LEU  27          HD12      LEU  27 -12.590  -0.775   0.822
  502   HD13  LEU  27          HD13      LEU  27 -12.774  -1.023   2.559
  503   HD21  LEU  27          HD21      LEU  27 -14.991  -1.792   3.419
  504   HD22  LEU  27          HD22      LEU  27 -16.109  -2.603   2.323
  505   HD23  LEU  27          HD23      LEU  27 -15.999  -0.841   2.323
  506    H    LYS  28           H        LYS  28 -14.548  -2.576  -2.821
  507    HA   LYS  28           HA       LYS  28 -16.279  -0.986  -4.244
  508    HB2  LYS  28           HB3      LYS  28 -13.945  -1.668  -4.883
  509    HB3  LYS  28           HB2      LYS  28 -14.614  -3.192  -5.449
  510    HG2  LYS  28           HG3      LYS  28 -15.881  -2.100  -7.139
  511    HG3  LYS  28           HG2      LYS  28 -15.495  -0.509  -6.479
  512    HD2  LYS  28           HD3      LYS  28 -13.106  -0.929  -6.981
  513    HD3  LYS  28           HD2      LYS  28 -13.564  -2.458  -7.735
  514    HE2  LYS  28           HE3      LYS  28 -14.902  -1.280  -9.374
  515    HE3  LYS  28           HE2      LYS  28 -14.551   0.259  -8.591
  516    HZ1  LYS  28           HZ1      LYS  28 -13.159  -0.054 -10.516
  517    HZ2  LYS  28           HZ2      LYS  28 -12.571  -1.516  -9.908
  518    HZ3  LYS  28           HZ3      LYS  28 -12.206  -0.066  -9.121
  519    H    LYS  29           H        LYS  29 -16.327  -4.548  -4.014
  520    HA   LYS  29           HA       LYS  29 -18.522  -4.732  -5.828
  521    HB2  LYS  29           HB3      LYS  29 -18.545  -7.080  -5.319
  522    HB3  LYS  29           HB2      LYS  29 -16.907  -6.551  -5.623
  523    HG2  LYS  29           HG3      LYS  29 -16.458  -6.548  -3.224
  524    HG3  LYS  29           HG2      LYS  29 -18.116  -7.071  -2.912
  525    HD2  LYS  29           HD3      LYS  29 -17.717  -9.122  -4.170
  526    HD3  LYS  29           HD2      LYS  29 -16.073  -8.597  -4.530
  527    HE2  LYS  29           HE3      LYS  29 -16.085 -10.209  -2.709
  528    HE3  LYS  29           HE2      LYS  29 -15.542  -8.634  -2.142
  529    HZ1  LYS  29           HZ1      LYS  29 -17.713  -8.242  -1.205
  530    HZ2  LYS  29           HZ2      LYS  29 -17.097  -9.696  -0.608
  531    HZ3  LYS  29           HZ3      LYS  29 -18.286  -9.714  -1.808
  532    H    LEU  30           H        LEU  30 -18.196  -4.314  -2.417
  533    HA   LEU  30           HA       LEU  30 -20.868  -5.043  -1.729
  534    HB2  LEU  30           HB3      LEU  30 -18.766  -3.383  -0.382
  535    HB3  LEU  30           HB2      LEU  30 -20.357  -3.614   0.321
  536    HG   LEU  30           HG       LEU  30 -18.368  -5.807  -0.285
  537   HD11  LEU  30          HD11      LEU  30 -19.237  -4.596   2.333
  538   HD12  LEU  30          HD12      LEU  30 -17.660  -4.401   1.570
  539   HD13  LEU  30          HD13      LEU  30 -18.171  -5.989   2.145
  540   HD21  LEU  30          HD21      LEU  30 -20.648  -6.607  -0.493
  541   HD22  LEU  30          HD22      LEU  30 -21.063  -5.897   1.065
  542   HD23  LEU  30          HD23      LEU  30 -19.918  -7.234   0.983
  543    H    VAL  31           H        VAL  31 -19.324  -2.129  -2.892
  544    HA   VAL  31           HA       VAL  31 -21.657  -0.496  -2.376
  545    HB   VAL  31           HB       VAL  31 -19.255   0.259  -4.050
  546   HG11  VAL  31          HG11      VAL  31 -19.875   2.542  -3.469
  547   HG12  VAL  31          HG12      VAL  31 -21.245   1.945  -2.534
  548   HG13  VAL  31          HG13      VAL  31 -21.204   1.719  -4.284
  549   HG21  VAL  31          HG21      VAL  31 -18.296   1.250  -2.047
  550   HG22  VAL  31          HG22      VAL  31 -18.518  -0.486  -1.836
  551   HG23  VAL  31          HG23      VAL  31 -19.644   0.644  -1.086
  552    H    GLY  32           H        GLY  32 -20.348  -2.363  -5.025
  553    HA2  GLY  32           HA3      GLY  32 -22.750  -2.123  -6.512
  554    HA3  GLY  32           HA2      GLY  32 -21.528  -1.062  -7.186
  555    H    GLU  33           H        GLU  33 -19.361  -3.025  -6.457
  556    HA   GLU  33           HA       GLU  33 -18.128  -4.527  -7.628
  557    HB2  GLU  33           HB3      GLU  33 -19.857  -6.099  -6.802
  558    HB3  GLU  33           HB2      GLU  33 -20.796  -5.803  -8.254
  559    HG2  GLU  33           HG3      GLU  33 -18.971  -6.713  -9.612
  560    HG3  GLU  33           HG2      GLU  33 -18.053  -7.033  -8.141
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  26.433   1.508  -3.064
    2    H2   GLY   1           H2       GLY   1  25.898   2.909  -2.283
    3    H3   GLY   1           H3       GLY   1  27.154   2.997  -3.411
    4    HA2  GLY   1           HA2      GLY   1  25.092   3.811  -4.360
    5    HA3  GLY   1           HA3      GLY   1  25.675   2.376  -5.189
    6    H    SER   2           H        SER   2  22.979   3.471  -5.000
    7    HA   SER   2           HA       SER   2  20.897   2.520  -5.170
    8    HB2  SER   2           HB3      SER   2  22.205  -0.011  -4.137
    9    HB3  SER   2           HB2      SER   2  20.577   0.109  -4.803
   10    HG   SER   2           HG       SER   2  21.381   0.407  -6.786
   11    H    MET   3           H        MET   3  22.392   3.481  -2.631
   12    HA   MET   3           HA       MET   3  20.783   2.430  -0.493
   13    HB2  MET   3           HB3      MET   3  23.068   3.189  -0.087
   14    HB3  MET   3           HB2      MET   3  22.648   4.802  -0.645
   15    HG2  MET   3           HG3      MET   3  22.744   4.783   1.756
   16    HG3  MET   3           HG2      MET   3  21.070   5.001   1.249
   17    HE1  MET   3           HE1      MET   3  20.159   4.357   3.662
   18    HE2  MET   3           HE2      MET   3  21.831   4.215   4.206
   19    HE3  MET   3           HE3      MET   3  20.679   2.921   4.544
   20    H    LYS   4           H        LYS   4  21.063   5.549  -2.161
   21    HA   LYS   4           HA       LYS   4  18.870   6.763  -0.859
   22    HB2  LYS   4           HB3      LYS   4  20.650   8.051  -1.935
   23    HB3  LYS   4           HB2      LYS   4  20.184   7.415  -3.504
   24    HG2  LYS   4           HG3      LYS   4  18.031   8.547  -3.336
   25    HG3  LYS   4           HG2      LYS   4  18.479   9.172  -1.750
   26    HD2  LYS   4           HD3      LYS   4  20.196   9.710  -4.145
   27    HD3  LYS   4           HD2      LYS   4  18.763  10.685  -3.835
   28    HE2  LYS   4           HE3      LYS   4  20.698  11.788  -2.913
   29    HE3  LYS   4           HE2      LYS   4  19.656  11.241  -1.606
   30    HZ1  LYS   4           HZ1      LYS   4  22.042   9.743  -2.530
   31    HZ2  LYS   4           HZ2      LYS   4  21.126   9.459  -1.133
   32    HZ3  LYS   4           HZ3      LYS   4  22.068  10.855  -1.256
   33    H    GLN   5           H        GLN   5  19.209   5.186  -4.014
   34    HA   GLN   5           HA       GLN   5  16.651   5.703  -4.990
   35    HB2  GLN   5           HB3      GLN   5  18.550   3.430  -5.552
   36    HB3  GLN   5           HB2      GLN   5  17.023   3.619  -6.399
   37    HG2  GLN   5           HG3      GLN   5  18.677   4.535  -7.792
   38    HG3  GLN   5           HG2      GLN   5  17.813   5.901  -7.093
   39   HE21  GLN   5          HE21      GLN   5  20.774   4.093  -7.131
   40   HE22  GLN   5          HE22      GLN   5  21.747   5.284  -6.336
   41    H    LEU   6           H        LEU   6  17.830   2.923  -3.121
   42    HA   LEU   6           HA       LEU   6  15.343   1.563  -3.145
   43    HB2  LEU   6           HB3      LEU   6  17.920   1.263  -1.714
   44    HB3  LEU   6           HB2      LEU   6  16.516   0.509  -0.995
   45    HG   LEU   6           HG       LEU   6  16.154  -0.837  -2.977
   46   HD11  LEU   6          HD11      LEU   6  18.548   0.587  -4.127
   47   HD12  LEU   6          HD12      LEU   6  16.879   0.731  -4.682
   48   HD13  LEU   6          HD13      LEU   6  17.735  -0.802  -4.847
   49   HD21  LEU   6          HD21      LEU   6  17.669  -1.712  -1.298
   50   HD22  LEU   6          HD22      LEU   6  19.026  -0.891  -2.070
   51   HD23  LEU   6          HD23      LEU   6  18.190  -2.196  -2.911
   52    H    GLU   7           H        GLU   7  16.798   3.907  -0.957
   53    HA   GLU   7           HA       GLU   7  14.829   3.774   1.061
   54    HB2  GLU   7           HB3      GLU   7  16.762   5.900   0.189
   55    HB3  GLU   7           HB2      GLU   7  15.552   6.246   1.418
   56    HG2  GLU   7           HG3      GLU   7  17.589   4.037   1.574
   57    HG3  GLU   7           HG2      GLU   7  17.726   5.609   2.362
   58    H    ASP   8           H        ASP   8  15.043   5.567  -1.959
   59    HA   ASP   8           HA       ASP   8  12.649   7.047  -1.574
   60    HB2  ASP   8           HB3      ASP   8  14.313   6.391  -3.988
   61    HB3  ASP   8           HB2      ASP   8  12.755   7.195  -4.162
   62    H    LYS   9           H        LYS   9  13.374   3.903  -2.968
   63    HA   LYS   9           HA       LYS   9  10.907   3.392  -4.176
   64    HB2  LYS   9           HB3      LYS   9  12.947   1.531  -2.971
   65    HB3  LYS   9           HB2      LYS   9  11.506   0.953  -3.794
   66    HG2  LYS   9           HG3      LYS   9  12.217   2.126  -5.828
   67    HG3  LYS   9           HG2      LYS   9  13.682   2.650  -4.995
   68    HD2  LYS   9           HD3      LYS   9  14.390   0.353  -4.720
   69    HD3  LYS   9           HD2      LYS   9  12.879  -0.227  -5.425
   70    HE2  LYS   9           HE3      LYS   9  14.927   1.464  -6.855
   71    HE3  LYS   9           HE2      LYS   9  14.764  -0.285  -7.016
   72    HZ1  LYS   9           HZ1      LYS   9  12.546   0.027  -7.897
   73    HZ2  LYS   9           HZ2      LYS   9  13.661   0.906  -8.816
   74    HZ3  LYS   9           HZ3      LYS   9  12.667   1.703  -7.706
   75    H    VAL  10           H        VAL  10  12.003   2.199  -0.979
   76    HA   VAL  10           HA       VAL  10   9.531   1.152  -0.209
   77    HB   VAL  10           HB       VAL  10  11.535   0.563   1.005
   78   HG11  VAL  10          HG11      VAL  10  12.738   2.674   0.880
   79   HG12  VAL  10          HG12      VAL  10  12.640   2.103   2.545
   80   HG13  VAL  10          HG13      VAL  10  11.588   3.408   1.998
   81   HG21  VAL  10          HG21      VAL  10   9.547   2.002   2.755
   82   HG22  VAL  10          HG22      VAL  10  10.724   0.816   3.318
   83   HG23  VAL  10          HG23      VAL  10   9.448   0.330   2.201
   84    H    GLU  11           H        GLU  11  10.841   4.405   0.184
   85    HA   GLU  11           HA       GLU  11   8.787   5.469   1.778
   86    HB2  GLU  11           HB3      GLU  11  10.944   6.581   1.444
   87    HB3  GLU  11           HB2      GLU  11  10.562   6.836  -0.254
   88    HG2  GLU  11           HG3      GLU  11   8.679   8.264   0.402
   89    HG3  GLU  11           HG2      GLU  11   9.116   8.036   2.095
   90    H    GLU  12           H        GLU  12   9.269   5.567  -1.748
   91    HA   GLU  12           HA       GLU  12   6.879   6.892  -2.370
   92    HB2  GLU  12           HB3      GLU  12   8.563   4.993  -3.992
   93    HB3  GLU  12           HB2      GLU  12   7.166   5.831  -4.651
   94    HG2  GLU  12           HG3      GLU  12   8.207   7.975  -4.182
   95    HG3  GLU  12           HG2      GLU  12   9.593   7.155  -3.465
   96    H    LEU  13           H        LEU  13   7.520   3.353  -2.245
   97    HA   LEU  13           HA       LEU  13   4.856   2.801  -3.047
   98    HB2  LEU  13           HB3      LEU  13   7.112   1.117  -2.093
   99    HB3  LEU  13           HB2      LEU  13   5.502   0.428  -2.230
  100    HG   LEU  13           HG       LEU  13   5.549   1.475  -4.614
  101   HD11  LEU  13          HD11      LEU  13   8.494   1.212  -4.025
  102   HD12  LEU  13          HD12      LEU  13   7.620   2.703  -4.378
  103   HD13  LEU  13          HD13      LEU  13   7.787   1.463  -5.622
  104   HD21  LEU  13          HD21      LEU  13   7.083  -1.004  -3.843
  105   HD22  LEU  13          HD22      LEU  13   6.588  -0.607  -5.485
  106   HD23  LEU  13          HD23      LEU  13   5.369  -0.887  -4.244
  107    H    LEU  14           H        LEU  14   6.115   3.547   0.097
  108    HA   LEU  14           HA       LEU  14   3.694   2.465   1.276
  109    HB2  LEU  14           HB3      LEU  14   4.449   3.381   3.397
  110    HB3  LEU  14           HB2      LEU  14   5.652   2.357   2.657
  111    HG   LEU  14           HG       LEU  14   6.707   4.594   1.852
  112   HD11  LEU  14          HD11      LEU  14   4.853   6.045   2.541
  113   HD12  LEU  14          HD12      LEU  14   6.345   6.453   3.387
  114   HD13  LEU  14          HD13      LEU  14   5.085   5.539   4.215
  115   HD21  LEU  14          HD21      LEU  14   7.711   3.020   3.402
  116   HD22  LEU  14          HD22      LEU  14   6.753   3.685   4.723
  117   HD23  LEU  14          HD23      LEU  14   7.987   4.679   3.940
  118    H    SER  15           H        SER  15   4.767   5.317  -0.208
  119    HA   SER  15           HA       SER  15   2.782   7.078   0.737
  120    HB2  SER  15           HB3      SER  15   4.720   7.950  -0.436
  121    HB3  SER  15           HB2      SER  15   4.315   7.013  -1.872
  122    HG   SER  15           HG       SER  15   3.131   9.341  -0.856
  123    H    LYS  16           H        LYS  16   2.951   4.905  -2.147
  124    HA   LYS  16           HA       LYS  16   0.287   5.482  -2.913
  125    HB2  LYS  16           HB3      LYS  16   0.415   3.598  -4.407
  126    HB3  LYS  16           HB2      LYS  16   1.970   4.413  -4.424
  127    HG2  LYS  16           HG3      LYS  16   2.884   2.680  -2.959
  128    HG3  LYS  16           HG2      LYS  16   1.321   1.859  -2.966
  129    HD2  LYS  16           HD3      LYS  16   1.488   1.748  -5.465
  130    HD3  LYS  16           HD2      LYS  16   3.134   2.362  -5.325
  131    HE2  LYS  16           HE3      LYS  16   3.831   0.406  -4.116
  132    HE3  LYS  16           HE2      LYS  16   2.162  -0.155  -3.981
  133    HZ1  LYS  16           HZ1      LYS  16   3.307  -1.345  -5.714
  134    HZ2  LYS  16           HZ2      LYS  16   3.724   0.097  -6.491
  135    HZ3  LYS  16           HZ3      LYS  16   2.103  -0.376  -6.398
  136    H    ASN  17           H        ASN  17   1.475   3.490  -0.337
  137    HA   ASN  17           HA       ASN  17  -0.791   1.855   0.043
  138    HB2  ASN  17           HB3      ASN  17   1.483   2.726   1.745
  139    HB3  ASN  17           HB2      ASN  17   0.034   2.192   2.584
  140   HD21  ASN  17          HD21      ASN  17   2.752   1.256   0.718
  141   HD22  ASN  17          HD22      ASN  17   2.483  -0.450   0.789
  142    H    TYR  18           H        TYR  18  -0.011   5.132   1.084
  143    HA   TYR  18           HA       TYR  18  -2.236   5.466   2.793
  144    HB2  TYR  18           HB3      TYR  18  -0.657   7.554   1.272
  145    HB3  TYR  18           HB2      TYR  18  -1.799   7.895   2.567
  146    HD1  TYR  18           HD1      TYR  18   1.506   7.911   1.956
  147    HD2  TYR  18           HD2      TYR  18  -1.215   6.108   4.677
  148    HE1  TYR  18           HE1      TYR  18   3.321   7.660   3.596
  149    HE2  TYR  18           HE2      TYR  18   0.588   5.853   6.326
  150    HH   TYR  18           HH       TYR  18   3.570   7.427   6.044
  151    H    HIS  19           H        HIS  19  -1.690   6.156  -0.621
  152    HA   HIS  19           HA       HIS  19  -4.224   7.308  -1.117
  153    HB2  HIS  19           HB3      HIS  19  -2.268   5.945  -2.978
  154    HB3  HIS  19           HB2      HIS  19  -3.730   6.758  -3.525
  155    HD1  HIS  19           HD1      HIS  19  -0.451   7.464  -3.764
  156    HD2  HIS  19           HD2      HIS  19  -3.513   9.524  -1.852
  157    HE1  HIS  19           HE1      HIS  19   0.357   9.836  -3.552
  158    HE2  HIS  19           HE2      HIS  19  -1.560  11.084  -2.504
  159    H    LEU  20           H        LEU  20  -3.008   4.001  -1.290
  160    HA   LEU  20           HA       LEU  20  -5.354   2.768  -2.210
  161    HB2  LEU  20           HB3      LEU  20  -2.836   1.962  -1.034
  162    HB3  LEU  20           HB2      LEU  20  -4.153   0.994  -0.403
  163    HG   LEU  20           HG       LEU  20  -3.056  -0.049  -2.348
  164   HD11  LEU  20          HD11      LEU  20  -5.080  -0.569  -3.594
  165   HD12  LEU  20          HD12      LEU  20  -5.893   0.816  -2.869
  166   HD13  LEU  20          HD13      LEU  20  -5.395  -0.540  -1.860
  167   HD21  LEU  20          HD21      LEU  20  -2.417   1.967  -3.559
  168   HD22  LEU  20          HD22      LEU  20  -4.116   2.331  -3.866
  169   HD23  LEU  20          HD23      LEU  20  -3.381   0.896  -4.579
  170    H    GLU  21           H        GLU  21  -4.249   3.545   1.070
  171    HA   GLU  21           HA       GLU  21  -6.443   2.396   2.424
  172    HB2  GLU  21           HB3      GLU  21  -4.210   3.130   3.402
  173    HB3  GLU  21           HB2      GLU  21  -4.841   4.770   3.379
  174    HG2  GLU  21           HG3      GLU  21  -6.407   2.635   4.729
  175    HG3  GLU  21           HG2      GLU  21  -4.987   3.293   5.534
  176    H    ASN  22           H        ASN  22  -5.895   5.581   1.045
  177    HA   ASN  22           HA       ASN  22  -8.217   6.853   1.973
  178    HB2  ASN  22           HB3      ASN  22  -6.474   7.272  -0.432
  179    HB3  ASN  22           HB2      ASN  22  -7.970   8.180  -0.263
  180   HD21  ASN  22          HD21      ASN  22  -5.989   7.230   2.461
  181   HD22  ASN  22          HD22      ASN  22  -5.447   8.819   2.863
  182    H    GLU  23           H        GLU  23  -7.735   4.501  -0.534
  183    HA   GLU  23           HA       GLU  23 -10.309   4.885  -1.757
  184    HB2  GLU  23           HB3      GLU  23  -8.338   2.592  -1.952
  185    HB3  GLU  23           HB2      GLU  23  -9.805   2.760  -2.940
  186    HG2  GLU  23           HG3      GLU  23  -8.916   4.818  -3.899
  187    HG3  GLU  23           HG2      GLU  23  -7.464   4.662  -2.910
  188    H    VAL  24           H        VAL  24  -8.885   2.692   0.614
  189    HA   VAL  24           HA       VAL  24 -11.151   1.026   0.866
  190    HB   VAL  24           HB       VAL  24  -9.020   1.494   2.963
  191   HG11  VAL  24          HG11      VAL  24 -11.010   0.319   3.782
  192   HG12  VAL  24          HG12      VAL  24  -9.603  -0.741   3.741
  193   HG13  VAL  24          HG13      VAL  24 -10.841  -0.871   2.490
  194   HG21  VAL  24          HG21      VAL  24  -7.876  -0.437   2.000
  195   HG22  VAL  24          HG22      VAL  24  -7.999   0.885   0.840
  196   HG23  VAL  24          HG23      VAL  24  -9.074  -0.508   0.711
  197    H    ALA  25           H        ALA  25 -10.157   3.997   2.417
  198    HA   ALA  25           HA       ALA  25 -12.123   3.910   4.484
  199    HB1  ALA  25           HB1      ALA  25 -11.467   6.168   4.979
  200    HB2  ALA  25           HB2      ALA  25 -10.662   6.317   3.420
  201    HB3  ALA  25           HB3      ALA  25 -10.024   5.212   4.638
  202    H    ARG  26           H        ARG  26 -12.017   5.283   1.240
  203    HA   ARG  26           HA       ARG  26 -14.320   6.910   1.543
  204    HB2  ARG  26           HB3      ARG  26 -14.085   7.439  -0.728
  205    HB3  ARG  26           HB2      ARG  26 -12.456   7.091  -0.189
  206    HG2  ARG  26           HG3      ARG  26 -12.597   4.853  -1.188
  207    HG3  ARG  26           HG2      ARG  26 -14.217   5.250  -1.776
  208    HD2  ARG  26           HD2      ARG  26 -12.482   5.538  -3.499
  209    HD3  ARG  26           HD1      ARG  26 -13.334   7.034  -3.130
  210    HE   ARG  26           HE       ARG  26 -11.194   7.219  -1.530
  211   HH11  ARG  26          HH11      ARG  26 -11.465   6.379  -4.916
  212   HH12  ARG  26          HH12      ARG  26  -9.946   7.092  -5.348
  213   HH21  ARG  26          HH21      ARG  26  -9.198   8.167  -2.094
  214   HH22  ARG  26          HH22      ARG  26  -8.647   8.102  -3.739
  215    H    LEU  27           H        LEU  27 -13.777   3.705   0.246
  216    HA   LEU  27           HA       LEU  27 -16.417   3.209  -0.632
  217    HB2  LEU  27           HB3      LEU  27 -14.147   1.414   0.143
  218    HB3  LEU  27           HB2      LEU  27 -15.698   0.777  -0.347
  219    HG   LEU  27           HG       LEU  27 -14.195   2.676  -2.085
  220   HD11  LEU  27          HD11      LEU  27 -12.753   0.791  -1.484
  221   HD12  LEU  27          HD12      LEU  27 -13.158   0.848  -3.202
  222   HD13  LEU  27          HD13      LEU  27 -13.971  -0.302  -2.141
  223   HD21  LEU  27          HD21      LEU  27 -15.481   1.578  -3.857
  224   HD22  LEU  27          HD22      LEU  27 -16.530   2.300  -2.637
  225   HD23  LEU  27          HD23      LEU  27 -16.254   0.557  -2.644
  226    H    LYS  28           H        LYS  28 -14.772   2.512   2.403
  227    HA   LYS  28           HA       LYS  28 -16.674   1.115   3.781
  228    HB2  LYS  28           HB3      LYS  28 -14.482   1.679   4.702
  229    HB3  LYS  28           HB2      LYS  28 -14.951   3.368   4.831
  230    HG2  LYS  28           HG3      LYS  28 -15.033   2.247   6.987
  231    HG3  LYS  28           HG2      LYS  28 -16.631   2.796   6.487
  232    HD2  LYS  28           HD3      LYS  28 -17.157   0.520   5.720
  233    HD3  LYS  28           HD2      LYS  28 -15.568  -0.021   6.269
  234    HE2  LYS  28           HE3      LYS  28 -16.124   0.546   8.552
  235    HE3  LYS  28           HE2      LYS  28 -17.665   1.230   8.038
  236    HZ1  LYS  28           HZ1      LYS  28 -16.868  -1.621   7.822
  237    HZ2  LYS  28           HZ2      LYS  28 -18.340  -0.976   7.299
  238    HZ3  LYS  28           HZ3      LYS  28 -17.955  -0.977   8.943
  239    H    LYS  29           H        LYS  29 -16.620   4.617   3.230
  240    HA   LYS  29           HA       LYS  29 -18.940   5.181   4.760
  241    HB2  LYS  29           HB3      LYS  29 -17.343   6.670   2.717
  242    HB3  LYS  29           HB2      LYS  29 -18.926   7.274   3.166
  243    HG2  LYS  29           HG3      LYS  29 -17.177   8.375   4.432
  244    HG3  LYS  29           HG2      LYS  29 -18.222   7.435   5.494
  245    HD2  LYS  29           HD3      LYS  29 -16.563   5.647   5.553
  246    HD3  LYS  29           HD2      LYS  29 -15.527   6.562   4.457
  247    HE2  LYS  29           HE3      LYS  29 -15.334   8.341   6.118
  248    HE3  LYS  29           HE2      LYS  29 -16.383   7.440   7.212
  249    HZ1  LYS  29           HZ1      LYS  29 -13.739   6.524   6.221
  250    HZ2  LYS  29           HZ2      LYS  29 -14.742   5.677   7.286
  251    HZ3  LYS  29           HZ3      LYS  29 -14.048   7.143   7.762
  252    H    LEU  30           H        LEU  30 -18.364   4.488   1.359
  253    HA   LEU  30           HA       LEU  30 -20.948   5.019   0.392
  254    HB2  LEU  30           HB3      LEU  30 -18.586   3.504  -0.560
  255    HB3  LEU  30           HB2      LEU  30 -20.116   3.143  -1.329
  256    HG   LEU  30           HG       LEU  30 -18.743   4.790  -2.572
  257   HD11  LEU  30          HD11      LEU  30 -21.305   5.983  -1.529
  258   HD12  LEU  30          HD12      LEU  30 -21.213   4.721  -2.755
  259   HD13  LEU  30          HD13      LEU  30 -20.521   6.310  -3.074
  260   HD21  LEU  30          HD21      LEU  30 -18.542   7.074  -1.720
  261   HD22  LEU  30          HD22      LEU  30 -17.693   5.920  -0.691
  262   HD23  LEU  30          HD23      LEU  30 -19.256   6.564  -0.190
  263    H    VAL  31           H        VAL  31 -19.539   2.146   1.848
  264    HA   VAL  31           HA       VAL  31 -21.700   0.407   1.220
  265    HB   VAL  31           HB       VAL  31 -19.653   0.141   3.437
  266   HG11  VAL  31          HG11      VAL  31 -21.455  -1.920   2.172
  267   HG12  VAL  31          HG12      VAL  31 -21.579  -1.295   3.816
  268   HG13  VAL  31          HG13      VAL  31 -20.177  -2.255   3.342
  269   HG21  VAL  31          HG21      VAL  31 -18.599   0.324   1.261
  270   HG22  VAL  31          HG22      VAL  31 -19.656  -0.936   0.624
  271   HG23  VAL  31          HG23      VAL  31 -18.469  -1.326   1.870
  272    H    GLY  32           H        GLY  32 -21.111   2.710   3.774
  273    HA2  GLY  32           HA3      GLY  32 -23.549   3.301   4.572
  274    HA3  GLY  32           HA2      GLY  32 -23.395   1.711   5.301
  275    H    GLU  33           H        GLU  33 -20.991   4.292   4.964
  276    HA   GLU  33           HA       GLU  33 -19.761   5.461   6.470
  277    HB2  GLU  33           HB3      GLU  33 -22.157   6.085   7.177
  278    HB3  GLU  33           HB2      GLU  33 -21.921   4.969   8.511
  279    HG2  GLU  33           HG3      GLU  33 -20.111   7.310   7.968
  280    HG3  GLU  33           HG2      GLU  33 -21.518   7.388   9.021
  281    H1   GLY   1           H1       GLY   1  26.459  -1.718   2.358
  282    H2   GLY   1           H2       GLY   1  25.905  -3.107   1.572
  283    H3   GLY   1           H3       GLY   1  27.170  -3.216   2.689
  284    HA2  GLY   1           HA2      GLY   1  25.111  -4.015   3.652
  285    HA3  GLY   1           HA3      GLY   1  25.708  -2.587   4.482
  286    H    SER   2           H        SER   2  23.001  -3.670   4.301
  287    HA   SER   2           HA       SER   2  20.921  -2.713   4.479
  288    HB2  SER   2           HB3      SER   2  22.237  -0.185   3.450
  289    HB3  SER   2           HB2      SER   2  20.607  -0.301   4.113
  290    HG   SER   2           HG       SER   2  21.404  -0.579   6.094
  291    H    MET   3           H        MET   3  22.400  -3.679   1.938
  292    HA   MET   3           HA       MET   3  20.787  -2.626  -0.196
  293    HB2  MET   3           HB3      MET   3  23.070  -3.392  -0.607
  294    HB3  MET   3           HB2      MET   3  22.648  -5.005  -0.048
  295    HG2  MET   3           HG3      MET   3  22.734  -4.993  -2.445
  296    HG3  MET   3           HG2      MET   3  21.057  -5.192  -1.938
  297    HE1  MET   3           HE1      MET   3  20.139  -4.553  -4.330
  298    HE2  MET   3           HE2      MET   3  21.804  -4.425  -4.896
  299    HE3  MET   3           HE3      MET   3  20.657  -3.125  -5.226
  300    H    LYS   4           H        LYS   4  21.070  -5.747   1.464
  301    HA   LYS   4           HA       LYS   4  18.862  -6.959   0.189
  302    HB2  LYS   4           HB3      LYS   4  20.651  -8.246   1.262
  303    HB3  LYS   4           HB2      LYS   4  20.187  -7.605   2.830
  304    HG2  LYS   4           HG3      LYS   4  18.034  -8.734   2.671
  305    HG3  LYS   4           HG2      LYS   4  18.474  -9.361   1.082
  306    HD2  LYS   4           HD3      LYS   4  20.198  -9.904   3.474
  307    HD3  LYS   4           HD2      LYS   4  18.759 -10.873   3.169
  308    HE2  LYS   4           HE3      LYS   4  20.688 -11.982   2.241
  309    HE3  LYS   4           HE2      LYS   4  19.642 -11.435   0.935
  310    HZ1  LYS   4           HZ1      LYS   4  22.038  -9.947   1.852
  311    HZ2  LYS   4           HZ2      LYS   4  21.117  -9.651   0.464
  312    HZ3  LYS   4           HZ3      LYS   4  22.054 -11.051   0.576
  313    H    GLN   5           H        GLN   5  19.227  -5.369   3.334
  314    HA   GLN   5           HA       GLN   5  16.673  -5.881   4.323
  315    HB2  GLN   5           HB3      GLN   5  18.576  -3.614   4.880
  316    HB3  GLN   5           HB2      GLN   5  17.052  -3.801   5.732
  317    HG2  GLN   5           HG3      GLN   5  18.715  -4.719   7.120
  318    HG3  GLN   5           HG2      GLN   5  17.839  -6.081   6.429
  319   HE21  GLN   5          HE21      GLN   5  20.811  -4.297   6.446
  320   HE22  GLN   5          HE22      GLN   5  21.769  -5.491   5.643
  321    H    LEU   6           H        LEU   6  17.852  -3.105   2.448
  322    HA   LEU   6           HA       LEU   6  15.365  -1.744   2.482
  323    HB2  LEU   6           HB3      LEU   6  17.935  -1.453   1.040
  324    HB3  LEU   6           HB2      LEU   6  16.530  -0.697   0.324
  325    HG   LEU   6           HG       LEU   6  16.177   0.654   2.306
  326   HD11  LEU   6          HD11      LEU   6  18.573  -0.772   3.452
  327   HD12  LEU   6          HD12      LEU   6  16.905  -0.914   4.011
  328   HD13  LEU   6          HD13      LEU   6  17.763   0.620   4.172
  329   HD21  LEU   6          HD21      LEU   6  17.689   1.523   0.620
  330   HD22  LEU   6          HD22      LEU   6  19.047   0.702   1.388
  331   HD23  LEU   6          HD23      LEU   6  18.216   2.010   2.230
  332    H    GLU   7           H        GLU   7  16.803  -4.093   0.288
  333    HA   GLU   7           HA       GLU   7  14.823  -3.959  -1.721
  334    HB2  GLU   7           HB3      GLU   7  16.754  -6.089  -0.853
  335    HB3  GLU   7           HB2      GLU   7  15.540  -6.432  -2.077
  336    HG2  GLU   7           HG3      GLU   7  17.582  -4.229  -2.243
  337    HG3  GLU   7           HG2      GLU   7  17.715  -5.803  -3.027
  338    H    ASP   8           H        ASP   8  15.053  -5.752   1.303
  339    HA   ASP   8           HA       ASP   8  12.654  -7.227   0.932
  340    HB2  ASP   8           HB3      ASP   8  14.325  -6.570   3.340
  341    HB3  ASP   8           HB2      ASP   8  12.765  -7.367   3.523
  342    H    LYS   9           H        LYS   9  13.388  -4.081   2.319
  343    HA   LYS   9           HA       LYS   9  10.927  -3.563   3.533
  344    HB2  LYS   9           HB3      LYS   9  12.966  -1.709   2.316
  345    HB3  LYS   9           HB2      LYS   9  11.528  -1.125   3.142
  346    HG2  LYS   9           HG3      LYS   9  12.244  -2.293   5.180
  347    HG3  LYS   9           HG2      LYS   9  13.704  -2.824   4.343
  348    HD2  LYS   9           HD3      LYS   9  14.417  -0.530   4.056
  349    HD3  LYS   9           HD2      LYS   9  12.912   0.056   4.766
  350    HE2  LYS   9           HE3      LYS   9  14.956  -1.643   6.188
  351    HE3  LYS   9           HE2      LYS   9  14.808   0.106   6.348
  352    HZ1  LYS   9           HZ1      LYS   9  12.585  -0.194   7.231
  353    HZ2  LYS   9           HZ2      LYS   9  13.706  -1.057   8.155
  354    HZ3  LYS   9           HZ3      LYS   9  12.710  -1.874   7.058
  355    H    VAL  10           H        VAL  10  12.008  -2.373   0.329
  356    HA   VAL  10           HA       VAL  10   9.534  -1.323  -0.432
  357    HB   VAL  10           HB       VAL  10  11.538  -0.739  -1.655
  358   HG11  VAL  10          HG11      VAL  10  12.735  -2.855  -1.534
  359   HG12  VAL  10          HG12      VAL  10  12.630  -2.288  -3.201
  360   HG13  VAL  10          HG13      VAL  10  11.577  -3.587  -2.643
  361   HG21  VAL  10          HG21      VAL  10   9.539  -2.177  -3.392
  362   HG22  VAL  10          HG22      VAL  10  10.715  -0.994  -3.963
  363   HG23  VAL  10          HG23      VAL  10   9.445  -0.504  -2.841
  364    H    GLU  11           H        GLU  11  10.839  -4.581  -0.823
  365    HA   GLU  11           HA       GLU  11   8.776  -5.648  -2.408
  366    HB2  GLU  11           HB3      GLU  11  10.934  -6.764  -2.080
  367    HB3  GLU  11           HB2      GLU  11  10.559  -7.012  -0.381
  368    HG2  GLU  11           HG3      GLU  11   8.671  -8.439  -1.025
  369    HG3  GLU  11           HG2      GLU  11   9.102  -8.217  -2.720
  370    H    GLU  12           H        GLU  12   9.269  -5.734   1.118
  371    HA   GLU  12           HA       GLU  12   6.878  -7.054   1.752
  372    HB2  GLU  12           HB3      GLU  12   8.574  -5.155   3.362
  373    HB3  GLU  12           HB2      GLU  12   7.178  -5.991   4.028
  374    HG2  GLU  12           HG3      GLU  12   8.212  -8.136   3.561
  375    HG3  GLU  12           HG2      GLU  12   9.598  -7.322   2.835
  376    H    LEU  13           H        LEU  13   7.529  -3.518   1.620
  377    HA   LEU  13           HA       LEU  13   4.870  -2.960   2.432
  378    HB2  LEU  13           HB3      LEU  13   7.125  -1.280   1.466
  379    HB3  LEU  13           HB2      LEU  13   5.515  -0.589   1.608
  380    HG   LEU  13           HG       LEU  13   5.571  -1.632   3.995
  381   HD11  LEU  13          HD11      LEU  13   8.514  -1.375   3.390
  382   HD12  LEU  13          HD12      LEU  13   7.638  -2.863   3.750
  383   HD13  LEU  13          HD13      LEU  13   7.815  -1.623   4.991
  384   HD21  LEU  13          HD21      LEU  13   7.109   0.842   3.212
  385   HD22  LEU  13          HD22      LEU  13   6.620   0.450   4.860
  386   HD23  LEU  13          HD23      LEU  13   5.397   0.731   3.623
  387    H    LEU  14           H        LEU  14   6.116  -3.703  -0.720
  388    HA   LEU  14           HA       LEU  14   3.687  -2.624  -1.890
  389    HB2  LEU  14           HB3      LEU  14   4.432  -3.544  -4.014
  390    HB3  LEU  14           HB2      LEU  14   5.640  -2.520  -3.281
  391    HG   LEU  14           HG       LEU  14   6.695  -4.758  -2.475
  392   HD11  LEU  14          HD11      LEU  14   4.835  -6.204  -3.155
  393   HD12  LEU  14          HD12      LEU  14   6.322  -6.616  -4.005
  394   HD13  LEU  14          HD13      LEU  14   5.061  -5.702  -4.830
  395   HD21  LEU  14          HD21      LEU  14   7.698  -3.189  -4.033
  396   HD22  LEU  14          HD22      LEU  14   6.732  -3.855  -5.349
  397   HD23  LEU  14          HD23      LEU  14   7.966  -4.850  -4.569
  398    H    SER  15           H        SER  15   4.765  -5.477  -0.407
  399    HA   SER  15           HA       SER  15   2.771  -7.237  -1.335
  400    HB2  SER  15           HB3      SER  15   4.712  -8.103  -0.169
  401    HB3  SER  15           HB2      SER  15   4.317  -7.162   1.267
  402    HG   SER  15           HG       SER  15   3.113  -9.487   0.254
  403    H    LYS  16           H        LYS  16   2.954  -5.056   1.543
  404    HA   LYS  16           HA       LYS  16   0.292  -5.628   2.319
  405    HB2  LYS  16           HB3      LYS  16   0.430  -3.743   3.809
  406    HB3  LYS  16           HB2      LYS  16   1.984  -4.560   3.821
  407    HG2  LYS  16           HG3      LYS  16   2.897  -2.833   2.349
  408    HG3  LYS  16           HG2      LYS  16   1.335  -2.008   2.362
  409    HD2  LYS  16           HD3      LYS  16   1.512  -1.894   4.859
  410    HD3  LYS  16           HD2      LYS  16   3.156  -2.511   4.715
  411    HE2  LYS  16           HE3      LYS  16   3.849  -0.560   3.491
  412    HE3  LYS  16           HE2      LYS  16   2.180   0.007   3.376
  413    HZ1  LYS  16           HZ1      LYS  16   3.359   1.190   5.093
  414    HZ2  LYS  16           HZ2      LYS  16   3.768  -0.256   5.868
  415    HZ3  LYS  16           HZ3      LYS  16   2.153   0.232   5.791
  416    H    ASN  17           H        ASN  17   1.478  -3.643  -0.259
  417    HA   ASN  17           HA       ASN  17  -0.784  -2.003  -0.634
  418    HB2  ASN  17           HB3      ASN  17   1.480  -2.881  -2.344
  419    HB3  ASN  17           HB2      ASN  17   0.028  -2.347  -3.178
  420   HD21  ASN  17          HD21      ASN  17   2.758  -1.411  -1.330
  421   HD22  ASN  17          HD22      ASN  17   2.492   0.295  -1.404
  422    H    TYR  18           H        TYR  18  -0.018  -5.282  -1.675
  423    HA   TYR  18           HA       TYR  18  -2.253  -5.607  -3.375
  424    HB2  TYR  18           HB3      TYR  18  -0.673  -7.698  -1.861
  425    HB3  TYR  18           HB2      TYR  18  -1.824  -8.035  -3.148
  426    HD1  TYR  18           HD1      TYR  18   1.487  -8.051  -2.554
  427    HD2  TYR  18           HD2      TYR  18  -1.249  -6.262  -5.267
  428    HE1  TYR  18           HE1      TYR  18   3.291  -7.817  -4.207
  429    HE2  TYR  18           HE2      TYR  18   0.544  -6.024  -6.930
  430    HH   TYR  18           HH       TYR  18   3.557  -7.588  -6.622
  431    H    HIS  19           H        HIS  19  -1.691  -6.300   0.039
  432    HA   HIS  19           HA       HIS  19  -4.227  -7.445   0.546
  433    HB2  HIS  19           HB3      HIS  19  -2.258  -6.085   2.392
  434    HB3  HIS  19           HB2      HIS  19  -3.721  -6.890   2.950
  435    HD1  HIS  19           HD1      HIS  19  -0.441  -7.612   3.173
  436    HD2  HIS  19           HD2      HIS  19  -3.529  -9.664   1.291
  437    HE1  HIS  19           HE1      HIS  19   0.351  -9.987   2.964
  438    HE2  HIS  19           HE2      HIS  19  -1.563 -11.228   1.899
  439    H    LEU  20           H        LEU  20  -3.001  -4.140   0.710
  440    HA   LEU  20           HA       LEU  20  -5.340  -2.900   1.636
  441    HB2  LEU  20           HB3      LEU  20  -2.827  -2.102   0.451
  442    HB3  LEU  20           HB2      LEU  20  -4.142  -1.133  -0.181
  443    HG   LEU  20           HG       LEU  20  -3.038  -0.088   1.759
  444   HD11  LEU  20          HD11      LEU  20  -5.055   0.439   3.014
  445   HD12  LEU  20          HD12      LEU  20  -5.875  -0.945   2.295
  446   HD13  LEU  20          HD13      LEU  20  -5.378   0.409   1.280
  447   HD21  LEU  20          HD21      LEU  20  -2.398  -2.101   2.970
  448   HD22  LEU  20          HD22      LEU  20  -4.097  -2.464   3.281
  449   HD23  LEU  20          HD23      LEU  20  -3.359  -1.029   3.991
  450    H    GLU  21           H        GLU  21  -4.255  -3.694  -1.645
  451    HA   GLU  21           HA       GLU  21  -6.450  -2.535  -2.992
  452    HB2  GLU  21           HB3      GLU  21  -4.225  -3.279  -3.979
  453    HB3  GLU  21           HB2      GLU  21  -4.861  -4.916  -3.951
  454    HG2  GLU  21           HG3      GLU  21  -6.420  -2.774  -5.299
  455    HG3  GLU  21           HG2      GLU  21  -5.008  -3.444  -6.107
  456    H    ASN  22           H        ASN  22  -5.907  -5.717  -1.606
  457    HA   ASN  22           HA       ASN  22  -8.236  -6.987  -2.527
  458    HB2  ASN  22           HB3      ASN  22  -6.479  -7.401  -0.131
  459    HB3  ASN  22           HB2      ASN  22  -7.975  -8.311  -0.290
  460   HD21  ASN  22          HD21      ASN  22  -5.999  -7.364  -3.021
  461   HD22  ASN  22          HD22      ASN  22  -5.472  -8.955  -3.432
  462    H    GLU  23           H        GLU  23  -7.734  -4.639  -0.020
  463    HA   GLU  23           HA       GLU  23 -10.305  -5.006   1.208
  464    HB2  GLU  23           HB3      GLU  23  -8.328  -2.718   1.389
  465    HB3  GLU  23           HB2      GLU  23  -9.790  -2.879   2.384
  466    HG2  GLU  23           HG3      GLU  23  -8.900  -4.937   3.348
  467    HG3  GLU  23           HG2      GLU  23  -7.453  -4.786   2.353
  468    H    VAL  24           H        VAL  24  -8.884  -2.818  -1.173
  469    HA   VAL  24           HA       VAL  24 -11.150  -1.149  -1.421
  470    HB   VAL  24           HB       VAL  24  -9.028  -1.623  -3.526
  471   HG11  VAL  24          HG11      VAL  24 -11.022  -0.445  -4.337
  472   HG12  VAL  24          HG12      VAL  24  -9.613   0.613  -4.301
  473   HG13  VAL  24          HG13      VAL  24 -10.845   0.743  -3.044
  474   HG21  VAL  24          HG21      VAL  24  -7.875   0.303  -2.567
  475   HG22  VAL  24          HG22      VAL  24  -8.000  -1.018  -1.407
  476   HG23  VAL  24          HG23      VAL  24  -9.069   0.379  -1.274
  477    H    ALA  25           H        ALA  25 -10.166  -4.125  -2.970
  478    HA   ALA  25           HA       ALA  25 -12.142  -4.043  -5.026
  479    HB1  ALA  25           HB1      ALA  25 -11.490  -6.295  -5.528
  480    HB2  ALA  25           HB2      ALA  25 -10.688  -6.455  -3.967
  481    HB3  ALA  25           HB3      ALA  25 -10.044  -5.349  -5.181
  482    H    ARG  26           H        ARG  26 -12.025  -5.410  -1.781
  483    HA   ARG  26           HA       ARG  26 -14.335  -7.032  -2.071
  484    HB2  ARG  26           HB3      ARG  26 -14.088  -7.554   0.195
  485    HB3  ARG  26           HB2      ARG  26 -12.462  -7.210  -0.348
  486    HG2  ARG  26           HG3      ARG  26 -12.596  -4.972   0.650
  487    HG3  ARG  26           HG2      ARG  26 -14.214  -5.364   1.244
  488    HD2  ARG  26           HD2      ARG  26 -12.476  -5.655   2.961
  489    HD3  ARG  26           HD1      ARG  26 -13.331  -7.153   2.598
  490    HE   ARG  26           HE       ARG  26 -11.195  -7.342   0.991
  491   HH11  ARG  26          HH11      ARG  26 -11.455  -6.492   4.376
  492   HH12  ARG  26          HH12      ARG  26  -9.930  -7.201   4.802
  493   HH21  ARG  26          HH21      ARG  26  -9.188  -8.280   1.553
  494   HH22  ARG  26          HH22      ARG  26  -8.640  -8.217   3.197
  495    H    LEU  27           H        LEU  27 -13.777  -3.825  -0.781
  496    HA   LEU  27           HA       LEU  27 -16.412  -3.321   0.103
  497    HB2  LEU  27           HB3      LEU  27 -14.142  -1.531  -0.681
  498    HB3  LEU  27           HB2      LEU  27 -15.691  -0.893  -0.184
  499    HG   LEU  27           HG       LEU  27 -14.185  -2.792   1.549
  500   HD11  LEU  27          HD11      LEU  27 -12.741  -0.911   0.938
  501   HD12  LEU  27          HD12      LEU  27 -13.139  -0.965   2.658
  502   HD13  LEU  27          HD13      LEU  27 -13.953   0.186   1.598
  503   HD21  LEU  27          HD21      LEU  27 -15.460  -1.685   3.323
  504   HD22  LEU  27          HD22      LEU  27 -16.518  -2.407   2.111
  505   HD23  LEU  27          HD23      LEU  27 -16.236  -0.665   2.111
  506    H    LYS  28           H        LYS  28 -14.779  -2.634  -2.939
  507    HA   LYS  28           HA       LYS  28 -16.681  -1.230  -4.309
  508    HB2  LYS  28           HB3      LYS  28 -14.498  -1.801  -5.241
  509    HB3  LYS  28           HB2      LYS  28 -14.970  -3.490  -5.362
  510    HG2  LYS  28           HG3      LYS  28 -15.059  -2.374  -7.521
  511    HG3  LYS  28           HG2      LYS  28 -16.658  -2.919  -7.011
  512    HD2  LYS  28           HD3      LYS  28 -17.173  -0.639  -6.248
  513    HD3  LYS  28           HD2      LYS  28 -15.584  -0.105  -6.803
  514    HE2  LYS  28           HE3      LYS  28 -16.149  -0.673  -9.082
  515    HE3  LYS  28           HE2      LYS  28 -17.692  -1.350  -8.565
  516    HZ1  LYS  28           HZ1      LYS  28 -16.886   1.497  -8.342
  517    HZ2  LYS  28           HZ2      LYS  28 -18.359   0.852  -7.823
  518    HZ3  LYS  28           HZ3      LYS  28 -17.973   0.858  -9.468
  519    H    LYS  29           H        LYS  29 -16.640  -4.731  -3.747
  520    HA   LYS  29           HA       LYS  29 -18.972  -5.276  -5.268
  521    HB2  LYS  29           HB3      LYS  29 -17.374  -6.784  -3.233
  522    HB3  LYS  29           HB2      LYS  29 -18.958  -7.381  -3.683
  523    HG2  LYS  29           HG3      LYS  29 -17.190  -8.488  -4.932
  524    HG3  LYS  29           HG2      LYS  29 -18.245  -7.579  -6.010
  525    HD2  LYS  29           HD3      LYS  29 -16.601  -5.764  -6.076
  526    HD3  LYS  29           HD2      LYS  29 -15.553  -6.676  -4.987
  527    HE2  LYS  29           HE3      LYS  29 -15.385  -8.459  -6.651
  528    HE3  LYS  29           HE2      LYS  29 -16.427  -7.545  -7.740
  529    HZ1  LYS  29           HZ1      LYS  29 -13.772  -6.662  -6.748
  530    HZ2  LYS  29           HZ2      LYS  29 -14.767  -5.800  -7.811
  531    HZ3  LYS  29           HZ3      LYS  29 -14.092  -7.272  -8.292
  532    H    LEU  30           H        LEU  30 -18.371  -4.599  -1.871
  533    HA   LEU  30           HA       LEU  30 -20.951  -5.121  -0.895
  534    HB2  LEU  30           HB3      LEU  30 -18.585  -3.603   0.044
  535    HB3  LEU  30           HB2      LEU  30 -20.110  -3.244   0.821
  536    HG   LEU  30           HG       LEU  30 -18.724  -4.889   2.056
  537   HD11  LEU  30          HD11      LEU  30 -21.293  -6.082   1.033
  538   HD12  LEU  30          HD12      LEU  30 -21.193  -4.815   2.253
  539   HD13  LEU  30          HD13      LEU  30 -20.501  -6.403   2.574
  540   HD21  LEU  30          HD21      LEU  30 -18.538  -7.176   1.208
  541   HD22  LEU  30          HD22      LEU  30 -17.690  -6.026   0.173
  542   HD23  LEU  30          HD23      LEU  30 -19.258  -6.668  -0.320
  543    H    VAL  31           H        VAL  31 -19.543  -2.253  -2.362
  544    HA   VAL  31           HA       VAL  31 -21.698  -0.505  -1.727
  545    HB   VAL  31           HB       VAL  31 -19.657  -0.248  -3.951
  546   HG11  VAL  31          HG11      VAL  31 -21.447   1.820  -2.684
  547   HG12  VAL  31          HG12      VAL  31 -21.579   1.190  -4.325
  548   HG13  VAL  31          HG13      VAL  31 -20.173   2.148  -3.859
  549   HG21  VAL  31          HG21      VAL  31 -18.592  -0.431  -1.778
  550   HG22  VAL  31          HG22      VAL  31 -19.642   0.832  -1.138
  551   HG23  VAL  31          HG23      VAL  31 -18.463   1.217  -2.390
  552    H    GLY  32           H        GLY  32 -21.124  -2.813  -4.280
  553    HA2  GLY  32           HA3      GLY  32 -23.567  -3.393  -5.069
  554    HA3  GLY  32           HA2      GLY  32 -23.411  -1.805  -5.801
  555    H    GLU  33           H        GLU  33 -21.014  -4.392  -5.468
  556    HA   GLU  33           HA       GLU  33 -19.795  -5.571  -6.975
  557    HB2  GLU  33           HB3      GLU  33 -22.198  -6.194  -7.671
  558    HB3  GLU  33           HB2      GLU  33 -21.965  -5.081  -9.008
  559    HG2  GLU  33           HG3      GLU  33 -20.160  -7.424  -8.469
  560    HG3  GLU  33           HG2      GLU  33 -21.571  -7.503  -9.517
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  24.436   2.771  -4.465
    2    H2   GLY   1           H2       GLY   1  25.380   1.986  -3.306
    3    H3   GLY   1           H3       GLY   1  25.802   3.536  -3.834
    4    HA2  GLY   1           HA2      GLY   1  24.784   3.629  -1.652
    5    HA3  GLY   1           HA3      GLY   1  23.821   4.468  -2.859
    6    H    SER   2           H        SER   2  22.759   3.562  -0.442
    7    HA   SER   2           HA       SER   2  21.098   1.306  -1.331
    8    HB2  SER   2           HB3      SER   2  20.725   1.017   1.208
    9    HB3  SER   2           HB2      SER   2  22.283   0.532   0.544
   10    HG   SER   2           HG       SER   2  21.684   2.489   2.347
   11    H    MET   3           H        MET   3  20.952   4.129   0.858
   12    HA   MET   3           HA       MET   3  18.108   4.069   0.938
   13    HB2  MET   3           HB3      MET   3  20.152   6.049   1.906
   14    HB3  MET   3           HB2      MET   3  18.430   6.374   2.024
   15    HG2  MET   3           HG3      MET   3  19.204   5.518   4.115
   16    HG3  MET   3           HG2      MET   3  18.169   4.312   3.357
   17    HE1  MET   3           HE1      MET   3  20.770   2.128   5.305
   18    HE2  MET   3           HE2      MET   3  19.058   2.454   5.032
   19    HE3  MET   3           HE3      MET   3  20.073   3.667   5.811
   20    H    LYS   4           H        LYS   4  20.390   5.606  -1.156
   21    HA   LYS   4           HA       LYS   4  18.935   7.863  -1.912
   22    HB2  LYS   4           HB3      LYS   4  21.318   7.509  -2.448
   23    HB3  LYS   4           HB2      LYS   4  20.860   6.273  -3.612
   24    HG2  LYS   4           HG3      LYS   4  19.685   7.922  -4.946
   25    HG3  LYS   4           HG2      LYS   4  20.051   9.171  -3.755
   26    HD2  LYS   4           HD3      LYS   4  21.576   9.341  -5.624
   27    HD3  LYS   4           HD2      LYS   4  22.454   8.838  -4.180
   28    HE2  LYS   4           HE3      LYS   4  22.397   6.523  -4.949
   29    HE3  LYS   4           HE2      LYS   4  21.495   7.013  -6.382
   30    HZ1  LYS   4           HZ1      LYS   4  23.374   8.341  -7.079
   31    HZ2  LYS   4           HZ2      LYS   4  23.852   6.737  -6.840
   32    HZ3  LYS   4           HZ3      LYS   4  24.237   7.915  -5.688
   33    H    GLN   5           H        GLN   5  19.069   4.686  -3.548
   34    HA   GLN   5           HA       GLN   5  16.795   5.538  -5.179
   35    HB2  GLN   5           HB3      GLN   5  18.595   3.127  -5.426
   36    HB3  GLN   5           HB2      GLN   5  17.271   3.509  -6.518
   37    HG2  GLN   5           HG3      GLN   5  18.375   5.578  -7.161
   38    HG3  GLN   5           HG2      GLN   5  19.692   5.232  -6.041
   39   HE21  GLN   5          HE21      GLN   5  19.741   5.619  -8.935
   40   HE22  GLN   5          HE22      GLN   5  20.448   4.186  -9.593
   41    H    LEU   6           H        LEU   6  17.712   2.951  -2.926
   42    HA   LEU   6           HA       LEU   6  15.349   1.447  -3.355
   43    HB2  LEU   6           HB3      LEU   6  17.451   1.360  -1.212
   44    HB3  LEU   6           HB2      LEU   6  16.040   0.328  -1.160
   45    HG   LEU   6           HG       LEU   6  17.873  -0.931  -2.044
   46   HD11  LEU   6          HD11      LEU   6  15.672  -1.341  -3.030
   47   HD12  LEU   6          HD12      LEU   6  16.980  -1.655  -4.170
   48   HD13  LEU   6          HD13      LEU   6  16.031  -0.176  -4.302
   49   HD21  LEU   6          HD21      LEU   6  19.280   0.900  -2.812
   50   HD22  LEU   6          HD22      LEU   6  18.160   1.219  -4.136
   51   HD23  LEU   6          HD23      LEU   6  19.055  -0.300  -4.086
   52    H    GLU   7           H        GLU   7  16.275   3.731  -0.754
   53    HA   GLU   7           HA       GLU   7  13.952   3.282   0.774
   54    HB2  GLU   7           HB3      GLU   7  16.109   4.371   1.547
   55    HB3  GLU   7           HB2      GLU   7  15.553   5.836   0.745
   56    HG2  GLU   7           HG3      GLU   7  13.546   5.821   2.149
   57    HG3  GLU   7           HG2      GLU   7  14.156   4.379   2.954
   58    H    ASP   8           H        ASP   8  14.624   5.332  -1.965
   59    HA   ASP   8           HA       ASP   8  12.281   6.939  -1.729
   60    HB2  ASP   8           HB3      ASP   8  14.278   6.434  -3.892
   61    HB3  ASP   8           HB2      ASP   8  12.741   7.179  -4.322
   62    H    LYS   9           H        LYS   9  13.019   3.851  -3.198
   63    HA   LYS   9           HA       LYS   9  10.551   3.536  -4.574
   64    HB2  LYS   9           HB3      LYS   9  12.721   2.213  -4.902
   65    HB3  LYS   9           HB2      LYS   9  12.256   1.301  -3.475
   66    HG2  LYS   9           HG3      LYS   9  10.248   0.529  -4.576
   67    HG3  LYS   9           HG2      LYS   9  10.615   1.521  -5.990
   68    HD2  LYS   9           HD3      LYS   9  12.774   0.235  -6.189
   69    HD3  LYS   9           HD2      LYS   9  12.151  -0.855  -4.952
   70    HE2  LYS   9           HE3      LYS   9  10.806  -0.275  -7.588
   71    HE3  LYS   9           HE2      LYS   9  11.802  -1.689  -7.254
   72    HZ1  LYS   9           HZ1      LYS   9   9.445  -2.175  -7.043
   73    HZ2  LYS   9           HZ2      LYS   9   9.280  -0.992  -5.850
   74    HZ3  LYS   9           HZ3      LYS   9  10.230  -2.360  -5.559
   75    H    VAL  10           H        VAL  10  11.728   2.707  -1.359
   76    HA   VAL  10           HA       VAL  10   9.413   1.453  -0.355
   77    HB   VAL  10           HB       VAL  10  11.356   3.188   1.189
   78   HG11  VAL  10          HG11      VAL  10   9.341   2.700   2.434
   79   HG12  VAL  10          HG12      VAL  10  10.697   1.791   3.100
   80   HG13  VAL  10          HG13      VAL  10   9.509   0.981   2.080
   81   HG21  VAL  10          HG21      VAL  10  11.493   0.225   0.668
   82   HG22  VAL  10          HG22      VAL  10  12.605   1.165   1.663
   83   HG23  VAL  10          HG23      VAL  10  12.523   1.445  -0.078
   84    H    GLU  11           H        GLU  11  10.501   4.825  -0.228
   85    HA   GLU  11           HA       GLU  11   8.336   5.939   1.125
   86    HB2  GLU  11           HB3      GLU  11  10.441   7.125   0.708
   87    HB3  GLU  11           HB2      GLU  11  10.094   7.166  -1.014
   88    HG2  GLU  11           HG3      GLU  11   8.198   8.611  -0.633
   89    HG3  GLU  11           HG2      GLU  11   8.443   8.510   1.109
   90    H    GLU  12           H        GLU  12   8.804   5.388  -2.345
   91    HA   GLU  12           HA       GLU  12   6.410   6.539  -3.239
   92    HB2  GLU  12           HB3      GLU  12   8.046   4.266  -4.357
   93    HB3  GLU  12           HB2      GLU  12   6.649   4.939  -5.187
   94    HG2  GLU  12           HG3      GLU  12   7.727   7.116  -5.267
   95    HG3  GLU  12           HG2      GLU  12   9.118   6.470  -4.400
   96    H    LEU  13           H        LEU  13   7.034   3.101  -2.411
   97    HA   LEU  13           HA       LEU  13   4.316   2.376  -2.700
   98    HB2  LEU  13           HB3      LEU  13   6.749   1.080  -1.623
   99    HB3  LEU  13           HB2      LEU  13   5.189   0.381  -1.215
  100    HG   LEU  13           HG       LEU  13   5.618   1.065  -4.050
  101   HD11  LEU  13          HD11      LEU  13   6.978  -1.285  -2.715
  102   HD12  LEU  13          HD12      LEU  13   7.778   0.077  -3.500
  103   HD13  LEU  13          HD13      LEU  13   6.823  -1.057  -4.455
  104   HD21  LEU  13          HD21      LEU  13   4.407  -1.060  -4.343
  105   HD22  LEU  13          HD22      LEU  13   3.540   0.083  -3.319
  106   HD23  LEU  13          HD23      LEU  13   4.399  -1.275  -2.594
  107    H    LEU  14           H        LEU  14   6.141   3.531   0.075
  108    HA   LEU  14           HA       LEU  14   4.121   3.103   1.984
  109    HB2  LEU  14           HB3      LEU  14   6.435   3.680   2.552
  110    HB3  LEU  14           HB2      LEU  14   6.251   5.251   1.816
  111    HG   LEU  14           HG       LEU  14   6.216   5.154   4.333
  112   HD11  LEU  14          HD11      LEU  14   4.513   6.861   4.554
  113   HD12  LEU  14          HD12      LEU  14   3.847   6.412   2.985
  114   HD13  LEU  14          HD13      LEU  14   5.468   7.098   3.091
  115   HD21  LEU  14          HD21      LEU  14   4.164   4.540   5.443
  116   HD22  LEU  14          HD22      LEU  14   4.785   3.159   4.539
  117   HD23  LEU  14          HD23      LEU  14   3.432   4.094   3.904
  118    H    SER  15           H        SER  15   4.793   5.737  -0.256
  119    HA   SER  15           HA       SER  15   2.628   7.388   0.396
  120    HB2  SER  15           HB3      SER  15   4.518   8.088  -1.049
  121    HB3  SER  15           HB2      SER  15   3.931   7.011  -2.314
  122    HG   SER  15           HG       SER  15   2.967   9.473  -1.473
  123    H    LYS  16           H        LYS  16   2.896   4.753  -2.056
  124    HA   LYS  16           HA       LYS  16   0.210   4.891  -2.875
  125    HB2  LYS  16           HB3      LYS  16   2.280   2.740  -2.931
  126    HB3  LYS  16           HB2      LYS  16   0.615   2.331  -3.321
  127    HG2  LYS  16           HG3      LYS  16   0.624   4.074  -5.065
  128    HG3  LYS  16           HG2      LYS  16   2.319   4.397  -4.702
  129    HD2  LYS  16           HD3      LYS  16   1.368   1.649  -5.448
  130    HD3  LYS  16           HD2      LYS  16   1.779   2.846  -6.677
  131    HE2  LYS  16           HE3      LYS  16   3.627   1.949  -4.472
  132    HE3  LYS  16           HE2      LYS  16   3.643   1.301  -6.108
  133    HZ1  LYS  16           HZ1      LYS  16   4.150   4.129  -5.350
  134    HZ2  LYS  16           HZ2      LYS  16   4.127   3.535  -6.930
  135    HZ3  LYS  16           HZ3      LYS  16   5.314   3.010  -5.850
  136    H    ASN  17           H        ASN  17   1.689   2.884  -0.336
  137    HA   ASN  17           HA       ASN  17  -0.504   1.522   0.610
  138    HB2  ASN  17           HB3      ASN  17   1.782   1.158   1.406
  139    HB3  ASN  17           HB2      ASN  17   1.783   2.736   2.179
  140   HD21  ASN  17          HD21      ASN  17   2.138   2.008   4.213
  141   HD22  ASN  17          HD22      ASN  17   0.991   1.082   5.114
  142    H    TYR  18           H        TYR  18   0.450   4.844   1.281
  143    HA   TYR  18           HA       TYR  18  -1.467   5.306   3.322
  144    HB2  TYR  18           HB3      TYR  18   0.599   6.661   3.013
  145    HB3  TYR  18           HB2      TYR  18  -0.090   7.325   1.536
  146    HD1  TYR  18           HD1      TYR  18  -1.588   9.157   1.616
  147    HD2  TYR  18           HD2      TYR  18  -0.542   7.124   5.202
  148    HE1  TYR  18           HE1      TYR  18  -2.675  10.927   2.933
  149    HE2  TYR  18           HE2      TYR  18  -1.627   8.885   6.523
  150    HH   TYR  18           HH       TYR  18  -3.708  11.163   5.218
  151    H    HIS  19           H        HIS  19  -1.331   6.365  -0.076
  152    HA   HIS  19           HA       HIS  19  -3.890   7.567  -0.066
  153    HB2  HIS  19           HB3      HIS  19  -2.184   6.576  -2.353
  154    HB3  HIS  19           HB2      HIS  19  -3.669   7.493  -2.565
  155    HD1  HIS  19           HD1      HIS  19  -0.117   7.929  -2.294
  156    HD2  HIS  19           HD2      HIS  19  -3.461  10.148  -1.205
  157    HE1  HIS  19           HE1      HIS  19   0.707  10.280  -1.969
  158    HE2  HIS  19           HE2      HIS  19  -1.295  11.559  -1.140
  159    H    LEU  20           H        LEU  20  -2.797   4.319  -0.764
  160    HA   LEU  20           HA       LEU  20  -5.223   3.452  -1.971
  161    HB2  LEU  20           HB3      LEU  20  -3.042   2.432  -2.423
  162    HB3  LEU  20           HB2      LEU  20  -2.935   1.909  -0.756
  163    HG   LEU  20           HG       LEU  20  -4.909   0.477  -1.117
  164   HD11  LEU  20          HD11      LEU  20  -5.643   0.018  -3.405
  165   HD12  LEU  20          HD12      LEU  20  -4.572   1.285  -4.000
  166   HD13  LEU  20          HD13      LEU  20  -5.936   1.698  -2.960
  167   HD21  LEU  20          HD21      LEU  20  -2.647  -0.015  -3.040
  168   HD22  LEU  20          HD22      LEU  20  -3.728  -1.228  -2.357
  169   HD23  LEU  20          HD23      LEU  20  -2.604  -0.362  -1.313
  170    H    GLU  21           H        GLU  21  -3.875   3.389   1.299
  171    HA   GLU  21           HA       GLU  21  -5.946   1.809   2.440
  172    HB2  GLU  21           HB3      GLU  21  -3.726   2.292   3.518
  173    HB3  GLU  21           HB2      GLU  21  -4.290   3.929   3.824
  174    HG2  GLU  21           HG3      GLU  21  -6.081   3.070   5.216
  175    HG3  GLU  21           HG2      GLU  21  -5.569   1.418   4.880
  176    H    ASN  22           H        ASN  22  -5.551   5.217   1.782
  177    HA   ASN  22           HA       ASN  22  -7.874   6.126   3.110
  178    HB2  ASN  22           HB3      ASN  22  -6.220   7.248   0.861
  179    HB3  ASN  22           HB2      ASN  22  -7.694   8.047   1.388
  180   HD21  ASN  22          HD21      ASN  22  -5.608   6.355   3.609
  181   HD22  ASN  22          HD22      ASN  22  -5.016   7.757   4.426
  182    H    GLU  23           H        GLU  23  -7.330   4.502   0.111
  183    HA   GLU  23           HA       GLU  23  -9.763   5.205  -1.172
  184    HB2  GLU  23           HB3      GLU  23  -7.810   2.957  -1.623
  185    HB3  GLU  23           HB2      GLU  23  -9.273   3.180  -2.610
  186    HG2  GLU  23           HG3      GLU  23  -8.476   5.403  -3.256
  187    HG3  GLU  23           HG2      GLU  23  -7.019   5.158  -2.292
  188    H    VAL  24           H        VAL  24  -8.754   2.464   0.825
  189    HA   VAL  24           HA       VAL  24 -11.138   0.965   0.551
  190    HB   VAL  24           HB       VAL  24  -9.470   0.920   3.070
  191   HG11  VAL  24          HG11      VAL  24 -10.935  -1.290   1.610
  192   HG12  VAL  24          HG12      VAL  24 -11.571  -0.394   2.994
  193   HG13  VAL  24          HG13      VAL  24 -10.139  -1.406   3.180
  194   HG21  VAL  24          HG21      VAL  24  -8.000  -0.726   2.065
  195   HG22  VAL  24          HG22      VAL  24  -7.907   0.791   1.177
  196   HG23  VAL  24          HG23      VAL  24  -8.832  -0.560   0.523
  197    H    ALA  25           H        ALA  25 -10.196   3.658   2.552
  198    HA   ALA  25           HA       ALA  25 -12.399   3.465   4.368
  199    HB1  ALA  25           HB1      ALA  25 -10.685   5.878   3.838
  200    HB2  ALA  25           HB2      ALA  25 -10.228   4.556   4.911
  201    HB3  ALA  25           HB3      ALA  25 -11.646   5.538   5.276
  202    H    ARG  26           H        ARG  26 -11.936   4.915   1.239
  203    HA   ARG  26           HA       ARG  26 -14.004   6.842   1.307
  204    HB2  ARG  26           HB3      ARG  26 -13.292   5.216  -1.136
  205    HB3  ARG  26           HB2      ARG  26 -13.995   6.821  -1.088
  206    HG2  ARG  26           HG3      ARG  26 -11.821   7.596  -0.061
  207    HG3  ARG  26           HG2      ARG  26 -11.183   6.002  -0.486
  208    HD2  ARG  26           HD2      ARG  26 -11.759   6.376  -2.821
  209    HD3  ARG  26           HD1      ARG  26 -12.415   7.961  -2.417
  210    HE   ARG  26           HE       ARG  26  -9.764   7.884  -1.543
  211   HH11  ARG  26          HH11      ARG  26 -11.560   7.794  -4.545
  212   HH12  ARG  26          HH12      ARG  26 -10.303   8.548  -5.473
  213   HH21  ARG  26          HH21      ARG  26  -8.086   8.854  -2.766
  214   HH22  ARG  26          HH22      ARG  26  -8.323   9.146  -4.461
  215    H    LEU  27           H        LEU  27 -13.915   3.501   0.199
  216    HA   LEU  27           HA       LEU  27 -16.649   3.400  -0.498
  217    HB2  LEU  27           HB3      LEU  27 -14.559   1.288  -0.087
  218    HB3  LEU  27           HB2      LEU  27 -16.223   0.871  -0.436
  219    HG   LEU  27           HG       LEU  27 -16.087   2.111  -2.563
  220   HD11  LEU  27          HD11      LEU  27 -13.182   2.466  -1.849
  221   HD12  LEU  27          HD12      LEU  27 -14.386   3.744  -2.010
  222   HD13  LEU  27          HD13      LEU  27 -13.900   2.808  -3.423
  223   HD21  LEU  27          HD21      LEU  27 -15.653  -0.269  -2.526
  224   HD22  LEU  27          HD22      LEU  27 -13.951   0.031  -2.174
  225   HD23  LEU  27          HD23      LEU  27 -14.633   0.531  -3.722
  226    H    LYS  28           H        LYS  28 -14.978   2.817   2.524
  227    HA   LYS  28           HA       LYS  28 -16.902   1.420   3.948
  228    HB2  LYS  28           HB3      LYS  28 -15.089   3.667   4.835
  229    HB3  LYS  28           HB2      LYS  28 -16.091   2.753   5.949
  230    HG2  LYS  28           HG3      LYS  28 -13.986   1.544   4.171
  231    HG3  LYS  28           HG2      LYS  28 -13.737   1.998   5.857
  232    HD2  LYS  28           HD3      LYS  28 -15.783   0.005   4.883
  233    HD3  LYS  28           HD2      LYS  28 -14.211  -0.410   5.566
  234    HE2  LYS  28           HE3      LYS  28 -14.849   0.717   7.660
  235    HE3  LYS  28           HE2      LYS  28 -16.433   1.068   6.973
  236    HZ1  LYS  28           HZ1      LYS  28 -15.314  -1.637   7.451
  237    HZ2  LYS  28           HZ2      LYS  28 -16.828  -1.309   6.776
  238    HZ3  LYS  28           HZ3      LYS  28 -16.507  -0.882   8.377
  239    H    LYS  29           H        LYS  29 -16.718   4.873   3.263
  240    HA   LYS  29           HA       LYS  29 -19.052   5.598   4.692
  241    HB2  LYS  29           HB3      LYS  29 -17.585   6.979   2.441
  242    HB3  LYS  29           HB2      LYS  29 -18.823   7.719   3.441
  243    HG2  LYS  29           HG3      LYS  29 -17.463   7.627   5.368
  244    HG3  LYS  29           HG2      LYS  29 -16.303   6.559   4.582
  245    HD2  LYS  29           HD3      LYS  29 -15.381   8.781   4.700
  246    HD3  LYS  29           HD2      LYS  29 -15.733   8.393   3.018
  247    HE2  LYS  29           HE3      LYS  29 -17.705   9.892   4.703
  248    HE3  LYS  29           HE2      LYS  29 -16.361  10.728   3.932
  249    HZ1  LYS  29           HZ1      LYS  29 -18.308  10.833   2.552
  250    HZ2  LYS  29           HZ2      LYS  29 -18.471   9.155   2.561
  251    HZ3  LYS  29           HZ3      LYS  29 -17.148   9.866   1.791
  252    H    LEU  30           H        LEU  30 -18.413   4.520   1.437
  253    HA   LEU  30           HA       LEU  30 -20.954   5.210   0.351
  254    HB2  LEU  30           HB3      LEU  30 -18.873   3.232  -0.512
  255    HB3  LEU  30           HB2      LEU  30 -20.285   3.634  -1.469
  256    HG   LEU  30           HG       LEU  30 -18.052   5.522  -0.705
  257   HD11  LEU  30          HD11      LEU  30 -17.399   3.900  -2.404
  258   HD12  LEU  30          HD12      LEU  30 -17.551   5.514  -3.096
  259   HD13  LEU  30          HD13      LEU  30 -18.819   4.320  -3.361
  260   HD21  LEU  30          HD21      LEU  30 -19.179   7.110  -2.204
  261   HD22  LEU  30          HD22      LEU  30 -20.173   6.699  -0.807
  262   HD23  LEU  30          HD23      LEU  30 -20.519   5.978  -2.379
  263    H    VAL  31           H        VAL  31 -19.662   2.394   1.999
  264    HA   VAL  31           HA       VAL  31 -21.943   0.736   1.392
  265    HB   VAL  31           HB       VAL  31 -19.790   0.258   3.474
  266   HG11  VAL  31          HG11      VAL  31 -21.707  -1.649   2.139
  267   HG12  VAL  31          HG12      VAL  31 -21.794  -1.093   3.812
  268   HG13  VAL  31          HG13      VAL  31 -20.438  -2.088   3.282
  269   HG21  VAL  31          HG21      VAL  31 -19.923  -0.707   0.622
  270   HG22  VAL  31          HG22      VAL  31 -18.695  -1.139   1.812
  271   HG23  VAL  31          HG23      VAL  31 -18.824   0.525   1.241
  272    H    GLY  32           H        GLY  32 -20.987   2.957   3.885
  273    HA2  GLY  32           HA3      GLY  32 -23.503   3.346   4.916
  274    HA3  GLY  32           HA2      GLY  32 -22.825   2.029   5.858
  275    H    GLU  33           H        GLU  33 -21.748   5.198   4.608
  276    HA   GLU  33           HA       GLU  33 -20.056   5.983   6.582
  277    HB2  GLU  33           HB3      GLU  33 -21.205   8.343   6.275
  278    HB3  GLU  33           HB2      GLU  33 -20.232   7.621   5.009
  279    HG2  GLU  33           HG3      GLU  33 -22.165   8.542   3.998
  280    HG3  GLU  33           HG2      GLU  33 -22.331   6.793   3.955
  281    H1   GLY   1           H1       GLY   1  24.456  -2.982   3.766
  282    H2   GLY   1           H2       GLY   1  25.397  -2.194   2.606
  283    H3   GLY   1           H3       GLY   1  25.819  -3.746   3.125
  284    HA2  GLY   1           HA2      GLY   1  24.794  -3.830   0.949
  285    HA3  GLY   1           HA3      GLY   1  23.826  -4.663   2.158
  286    H    SER   2           H        SER   2  22.752  -3.762  -0.238
  287    HA   SER   2           HA       SER   2  21.105  -1.498   0.654
  288    HB2  SER   2           HB3      SER   2  20.724  -1.206  -1.887
  289    HB3  SER   2           HB2      SER   2  22.277  -0.709  -1.216
  290    HG   SER   2           HG       SER   2  21.692  -2.704  -3.008
  291    H    MET   3           H        MET   3  20.946  -4.321  -1.537
  292    HA   MET   3           HA       MET   3  18.101  -4.247  -1.609
  293    HB2  MET   3           HB3      MET   3  20.132  -6.233  -2.591
  294    HB3  MET   3           HB2      MET   3  18.409  -6.551  -2.704
  295    HG2  MET   3           HG3      MET   3  19.182  -5.692  -4.794
  296    HG3  MET   3           HG2      MET   3  18.149  -4.487  -4.030
  297    HE1  MET   3           HE1      MET   3  20.753  -2.307  -5.980
  298    HE2  MET   3           HE2      MET   3  19.040  -2.628  -5.704
  299    HE3  MET   3           HE3      MET   3  20.050  -3.844  -6.484
  300    H    LYS   4           H        LYS   4  20.390  -5.799   0.471
  301    HA   LYS   4           HA       LYS   4  18.930  -8.057   1.224
  302    HB2  LYS   4           HB3      LYS   4  21.316  -7.711   1.751
  303    HB3  LYS   4           HB2      LYS   4  20.866  -6.474   2.918
  304    HG2  LYS   4           HG3      LYS   4  19.692  -8.122   4.255
  305    HG3  LYS   4           HG2      LYS   4  20.052  -9.371   3.063
  306    HD2  LYS   4           HD3      LYS   4  21.585  -9.547   4.930
  307    HD3  LYS   4           HD2      LYS   4  22.456  -9.047   3.483
  308    HE2  LYS   4           HE3      LYS   4  22.414  -6.730   4.250
  309    HE3  LYS   4           HE2      LYS   4  21.518  -7.216   5.688
  310    HZ1  LYS   4           HZ1      LYS   4  23.398  -8.557   6.369
  311    HZ2  LYS   4           HZ2      LYS   4  23.878  -6.953   6.141
  312    HZ3  LYS   4           HZ3      LYS   4  24.255  -8.123   4.978
  313    H    GLN   5           H        GLN   5  19.077  -4.883   2.864
  314    HA   GLN   5           HA       GLN   5  16.811  -5.729   4.511
  315    HB2  GLN   5           HB3      GLN   5  18.616  -3.322   4.751
  316    HB3  GLN   5           HB2      GLN   5  17.298  -3.704   5.851
  317    HG2  GLN   5           HG3      GLN   5  18.406  -5.777   6.480
  318    HG3  GLN   5           HG2      GLN   5  19.719  -5.423   5.360
  319   HE21  GLN   5          HE21      GLN   5  19.780  -5.833   8.241
  320   HE22  GLN   5          HE22      GLN   5  20.479  -4.402   8.917
  321    H    LEU   6           H        LEU   6  17.724  -3.135   2.266
  322    HA   LEU   6           HA       LEU   6  15.363  -1.632   2.698
  323    HB2  LEU   6           HB3      LEU   6  17.457  -1.544   0.547
  324    HB3  LEU   6           HB2      LEU   6  16.047  -0.509   0.508
  325    HG   LEU   6           HG       LEU   6  17.889   0.742   1.387
  326   HD11  LEU   6          HD11      LEU   6  15.692   1.154   2.380
  327   HD12  LEU   6          HD12      LEU   6  17.003   1.463   3.517
  328   HD13  LEU   6          HD13      LEU   6  16.053  -0.015   3.651
  329   HD21  LEU   6          HD21      LEU   6  19.297  -1.091   2.146
  330   HD22  LEU   6          HD22      LEU   6  18.181  -1.413   3.475
  331   HD23  LEU   6          HD23      LEU   6  19.077   0.105   3.422
  332    H    GLU   7           H        GLU   7  16.280  -3.909   0.086
  333    HA   GLU   7           HA       GLU   7  13.949  -3.455  -1.428
  334    HB2  GLU   7           HB3      GLU   7  16.100  -4.546  -2.214
  335    HB3  GLU   7           HB2      GLU   7  15.545  -6.011  -1.413
  336    HG2  GLU   7           HG3      GLU   7  13.530  -5.986  -2.807
  337    HG3  GLU   7           HG2      GLU   7  14.141  -4.545  -3.613
  338    H    ASP   8           H        ASP   8  14.631  -5.510   1.305
  339    HA   ASP   8           HA       ASP   8  12.286  -7.115   1.071
  340    HB2  ASP   8           HB3      ASP   8  14.291  -6.624   3.229
  341    HB3  ASP   8           HB2      ASP   8  12.750  -7.359   3.665
  342    H    LYS   9           H        LYS   9  13.031  -4.033   2.544
  343    HA   LYS   9           HA       LYS   9  10.570  -3.720   3.935
  344    HB2  LYS   9           HB3      LYS   9  12.743  -2.400   4.258
  345    HB3  LYS   9           HB2      LYS   9  12.276  -1.485   2.833
  346    HG2  LYS   9           HG3      LYS   9  10.273  -0.710   3.940
  347    HG3  LYS   9           HG2      LYS   9  10.640  -1.704   5.353
  348    HD2  LYS   9           HD3      LYS   9  12.804  -0.425   5.548
  349    HD3  LYS   9           HD2      LYS   9  12.178   0.670   4.315
  350    HE2  LYS   9           HE3      LYS   9  10.845   0.085   6.953
  351    HE3  LYS   9           HE2      LYS   9  11.836   1.500   6.618
  352    HZ1  LYS   9           HZ1      LYS   9   9.476   1.978   6.421
  353    HZ2  LYS   9           HZ2      LYS   9   9.313   0.800   5.224
  354    HZ3  LYS   9           HZ3      LYS   9  10.254   2.173   4.934
  355    H    VAL  10           H        VAL  10  11.733  -2.879   0.719
  356    HA   VAL  10           HA       VAL  10   9.416  -1.621  -0.274
  357    HB   VAL  10           HB       VAL  10  11.349  -3.356  -1.830
  358   HG11  VAL  10          HG11      VAL  10   9.330  -2.859  -3.066
  359   HG12  VAL  10          HG12      VAL  10  10.686  -1.951  -3.735
  360   HG13  VAL  10          HG13      VAL  10   9.505  -1.141  -2.708
  361   HG21  VAL  10          HG21      VAL  10  11.493  -0.394  -1.303
  362   HG22  VAL  10          HG22      VAL  10  12.600  -1.335  -2.303
  363   HG23  VAL  10          HG23      VAL  10  12.525  -1.619  -0.564
  364    H    GLU  11           H        GLU  11  10.496  -4.993  -0.412
  365    HA   GLU  11           HA       GLU  11   8.323  -6.098  -1.760
  366    HB2  GLU  11           HB3      GLU  11  10.424  -7.288  -1.351
  367    HB3  GLU  11           HB2      GLU  11  10.082  -7.336   0.369
  368    HG2  GLU  11           HG3      GLU  11   8.187  -8.781  -0.008
  369    HG3  GLU  11           HG2      GLU  11   8.417  -8.668  -1.753
  370    H    GLU  12           H        GLU  12   8.809  -5.560   1.713
  371    HA   GLU  12           HA       GLU  12   6.416  -6.706   2.611
  372    HB2  GLU  12           HB3      GLU  12   8.064  -4.444   3.728
  373    HB3  GLU  12           HB2      GLU  12   6.668  -5.113   4.564
  374    HG2  GLU  12           HG3      GLU  12   7.738  -7.297   4.631
  375    HG3  GLU  12           HG2      GLU  12   9.126  -6.653   3.757
  376    H    LEU  13           H        LEU  13   7.044  -3.269   1.795
  377    HA   LEU  13           HA       LEU  13   4.329  -2.539   2.093
  378    HB2  LEU  13           HB3      LEU  13   6.758  -1.243   1.008
  379    HB3  LEU  13           HB2      LEU  13   5.197  -0.542   0.610
  380    HG   LEU  13           HG       LEU  13   5.637  -1.237   3.440
  381   HD11  LEU  13          HD11      LEU  13   6.999   1.116   2.111
  382   HD12  LEU  13          HD12      LEU  13   7.798  -0.253   2.883
  383   HD13  LEU  13          HD13      LEU  13   6.852   0.877   3.852
  384   HD21  LEU  13          HD21      LEU  13   4.430   0.889   3.747
  385   HD22  LEU  13          HD22      LEU  13   3.557  -0.249   2.722
  386   HD23  LEU  13          HD23      LEU  13   4.414   1.110   1.999
  387    H    LEU  14           H        LEU  14   6.139  -3.694  -0.692
  388    HA   LEU  14           HA       LEU  14   4.112  -3.257  -2.592
  389    HB2  LEU  14           HB3      LEU  14   6.423  -3.834  -3.173
  390    HB3  LEU  14           HB2      LEU  14   6.242  -5.407  -2.439
  391    HG   LEU  14           HG       LEU  14   6.198  -5.307  -4.955
  392   HD11  LEU  14          HD11      LEU  14   4.491  -7.011  -5.172
  393   HD12  LEU  14          HD12      LEU  14   3.833  -6.565  -3.597
  394   HD13  LEU  14          HD13      LEU  14   5.454  -7.253  -3.714
  395   HD21  LEU  14          HD21      LEU  14   4.142  -4.687  -6.060
  396   HD22  LEU  14          HD22      LEU  14   4.767  -3.309  -5.156
  397   HD23  LEU  14          HD23      LEU  14   3.414  -4.243  -4.517
  398    H    SER  15           H        SER  15   4.789  -5.902  -0.363
  399    HA   SER  15           HA       SER  15   2.617  -7.544  -1.013
  400    HB2  SER  15           HB3      SER  15   4.523  -8.238   0.422
  401    HB3  SER  15           HB2      SER  15   3.926  -7.177   1.696
  402    HG   SER  15           HG       SER  15   2.972  -9.634   0.816
  403    H    LYS  16           H        LYS  16   2.903  -4.918   1.446
  404    HA   LYS  16           HA       LYS  16   0.221  -5.047   2.276
  405    HB2  LYS  16           HB3      LYS  16   2.295  -2.900   2.328
  406    HB3  LYS  16           HB2      LYS  16   0.632  -2.489   2.727
  407    HG2  LYS  16           HG3      LYS  16   0.644  -4.234   4.467
  408    HG3  LYS  16           HG2      LYS  16   2.337  -4.561   4.096
  409    HD2  LYS  16           HD3      LYS  16   1.393  -1.813   4.853
  410    HD3  LYS  16           HD2      LYS  16   1.809  -3.013   6.075
  411    HE2  LYS  16           HE3      LYS  16   3.647  -2.114   3.865
  412    HE3  LYS  16           HE2      LYS  16   3.670  -1.467   5.503
  413    HZ1  LYS  16           HZ1      LYS  16   4.170  -4.295   4.739
  414    HZ2  LYS  16           HZ2      LYS  16   4.155  -3.703   6.322
  415    HZ3  LYS  16           HZ3      LYS  16   5.338  -3.180   5.236
  416    H    ASN  17           H        ASN  17   1.690  -3.040  -0.267
  417    HA   ASN  17           HA       ASN  17  -0.505  -1.669  -1.196
  418    HB2  ASN  17           HB3      ASN  17   1.773  -1.305  -2.004
  419    HB3  ASN  17           HB2      ASN  17   1.775  -2.885  -2.774
  420   HD21  ASN  17          HD21      ASN  17   2.124  -2.164  -4.811
  421   HD22  ASN  17          HD22      ASN  17   0.976  -1.239  -5.714
  422    H    TYR  18           H        TYR  18   0.448  -4.989  -1.893
  423    HA   TYR  18           HA       TYR  18  -1.488  -5.444  -3.915
  424    HB2  TYR  18           HB3      TYR  18   0.579  -6.804  -3.621
  425    HB3  TYR  18           HB2      TYR  18  -0.107  -7.472  -2.144
  426    HD1  TYR  18           HD1      TYR  18  -1.607  -9.299  -2.222
  427    HD2  TYR  18           HD2      TYR  18  -0.580  -7.254  -5.805
  428    HE1  TYR  18           HE1      TYR  18  -2.708 -11.063  -3.537
  429    HE2  TYR  18           HE2      TYR  18  -1.675  -9.007  -7.129
  430    HH   TYR  18           HH       TYR  18  -3.739 -11.308  -5.797
  431    H    HIS  19           H        HIS  19  -1.334  -6.513  -0.518
  432    HA   HIS  19           HA       HIS  19  -3.895  -7.710  -0.522
  433    HB2  HIS  19           HB3      HIS  19  -2.180  -6.727   1.764
  434    HB3  HIS  19           HB2      HIS  19  -3.667  -7.642   1.980
  435    HD1  HIS  19           HD1      HIS  19  -0.120  -8.084   1.704
  436    HD2  HIS  19           HD2      HIS  19  -3.469 -10.290   0.613
  437    HE1  HIS  19           HE1      HIS  19   0.702 -10.436   1.353
  438    HE2  HIS  19           HE2      HIS  19  -1.313 -11.712   0.536
  439    H    LEU  20           H        LEU  20  -2.793  -4.467   0.184
  440    HA   LEU  20           HA       LEU  20  -5.213  -3.596   1.398
  441    HB2  LEU  20           HB3      LEU  20  -3.027  -2.580   1.842
  442    HB3  LEU  20           HB2      LEU  20  -2.932  -2.052   0.176
  443    HG   LEU  20           HG       LEU  20  -4.901  -0.621   0.552
  444   HD11  LEU  20          HD11      LEU  20  -5.623  -0.165   2.845
  445   HD12  LEU  20          HD12      LEU  20  -4.554  -1.438   3.431
  446   HD13  LEU  20          HD13      LEU  20  -5.921  -1.844   2.396
  447   HD21  LEU  20          HD21      LEU  20  -2.630  -0.139   2.467
  448   HD22  LEU  20          HD22      LEU  20  -3.712   1.078   1.792
  449   HD23  LEU  20          HD23      LEU  20  -2.595   0.214   0.741
  450    H    GLU  21           H        GLU  21  -3.883  -3.530  -1.880
  451    HA   GLU  21           HA       GLU  21  -5.957  -1.942  -3.004
  452    HB2  GLU  21           HB3      GLU  21  -3.746  -2.423  -4.094
  453    HB3  GLU  21           HB2      GLU  21  -4.310  -4.059  -4.399
  454    HG2  GLU  21           HG3      GLU  21  -6.104  -3.204  -5.788
  455    HG3  GLU  21           HG2      GLU  21  -5.599  -1.551  -5.447
  456    H    ASN  22           H        ASN  22  -5.562  -5.352  -2.360
  457    HA   ASN  22           HA       ASN  22  -7.895  -6.247  -3.681
  458    HB2  ASN  22           HB3      ASN  22  -6.227  -7.382  -1.451
  459    HB3  ASN  22           HB2      ASN  22  -7.710  -8.176  -1.966
  460   HD21  ASN  22          HD21      ASN  22  -5.624  -6.480  -4.199
  461   HD22  ASN  22          HD22      ASN  22  -5.051  -7.885  -5.022
  462    H    GLU  23           H        GLU  23  -7.336  -4.635  -0.678
  463    HA   GLU  23           HA       GLU  23  -9.763  -5.342   0.614
  464    HB2  GLU  23           HB3      GLU  23  -7.802  -3.098   1.066
  465    HB3  GLU  23           HB2      GLU  23  -9.260  -3.323   2.058
  466    HG2  GLU  23           HG3      GLU  23  -8.466  -5.553   2.685
  467    HG3  GLU  23           HG2      GLU  23  -7.009  -5.301   1.725
  468    H    VAL  24           H        VAL  24  -8.759  -2.594  -1.376
  469    HA   VAL  24           HA       VAL  24 -11.138  -1.095  -1.089
  470    HB   VAL  24           HB       VAL  24  -9.482  -1.044  -3.616
  471   HG11  VAL  24          HG11      VAL  24 -10.939   1.164  -2.146
  472   HG12  VAL  24          HG12      VAL  24 -11.578   0.272  -3.530
  473   HG13  VAL  24          HG13      VAL  24 -10.145   1.281  -3.718
  474   HG21  VAL  24          HG21      VAL  24  -8.003   0.598  -2.612
  475   HG22  VAL  24          HG22      VAL  24  -7.907  -0.923  -1.730
  476   HG23  VAL  24          HG23      VAL  24  -8.828   0.426  -1.066
  477    H    ALA  25           H        ALA  25 -10.210  -3.781  -3.104
  478    HA   ALA  25           HA       ALA  25 -12.421  -3.581  -4.909
  479    HB1  ALA  25           HB1      ALA  25 -10.709  -5.998  -4.391
  480    HB2  ALA  25           HB2      ALA  25 -10.256  -4.676  -5.465
  481    HB3  ALA  25           HB3      ALA  25 -11.679  -5.656  -5.822
  482    H    ARG  26           H        ARG  26 -11.947  -5.038  -1.785
  483    HA   ARG  26           HA       ARG  26 -14.019  -6.960  -1.853
  484    HB2  ARG  26           HB3      ARG  26 -13.293  -5.344   0.593
  485    HB3  ARG  26           HB2      ARG  26 -14.000  -6.947   0.543
  486    HG2  ARG  26           HG3      ARG  26 -11.832  -7.726  -0.494
  487    HG3  ARG  26           HG2      ARG  26 -11.188  -6.130  -0.070
  488    HD2  ARG  26           HD2      ARG  26 -11.750  -6.513   2.270
  489    HD3  ARG  26           HD1      ARG  26 -12.412  -8.094   1.865
  490    HE   ARG  26           HE       ARG  26  -9.757  -8.016   0.983
  491   HH11  ARG  26          HH11      ARG  26 -11.544  -7.935   3.986
  492   HH12  ARG  26          HH12      ARG  26 -10.290  -8.696   4.906
  493   HH21  ARG  26          HH21      ARG  26  -8.091  -9.006   2.200
  494   HH22  ARG  26          HH22      ARG  26  -8.323  -9.305   3.892
  495    H    LEU  27           H        LEU  27 -13.921  -3.625  -0.729
  496    HA   LEU  27           HA       LEU  27 -16.652  -3.520  -0.021
  497    HB2  LEU  27           HB3      LEU  27 -14.560  -1.411  -0.440
  498    HB3  LEU  27           HB2      LEU  27 -16.220  -0.993  -0.079
  499    HG   LEU  27           HG       LEU  27 -16.075  -2.239   2.044
  500   HD11  LEU  27          HD11      LEU  27 -13.174  -2.601   1.316
  501   HD12  LEU  27          HD12      LEU  27 -14.381  -3.876   1.479
  502   HD13  LEU  27          HD13      LEU  27 -13.886  -2.944   2.892
  503   HD21  LEU  27          HD21      LEU  27 -15.637   0.139   2.009
  504   HD22  LEU  27          HD22      LEU  27 -13.937  -0.162   1.648
  505   HD23  LEU  27          HD23      LEU  27 -14.613  -0.663   3.198
  506    H    LYS  28           H        LYS  28 -14.989  -2.927  -3.049
  507    HA   LYS  28           HA       LYS  28 -16.917  -1.529  -4.464
  508    HB2  LYS  28           HB3      LYS  28 -15.110  -3.776  -5.363
  509    HB3  LYS  28           HB2      LYS  28 -16.116  -2.858  -6.471
  510    HG2  LYS  28           HG3      LYS  28 -14.002  -1.657  -4.699
  511    HG3  LYS  28           HG2      LYS  28 -13.763  -2.106  -6.387
  512    HD2  LYS  28           HD3      LYS  28 -15.800  -0.109  -5.397
  513    HD3  LYS  28           HD2      LYS  28 -14.229   0.303  -6.086
  514    HE2  LYS  28           HE3      LYS  28 -14.881  -0.820  -8.179
  515    HE3  LYS  28           HE2      LYS  28 -16.463  -1.163  -7.484
  516    HZ1  LYS  28           HZ1      LYS  28 -15.337   1.542  -7.953
  517    HZ2  LYS  28           HZ2      LYS  28 -16.854   1.211  -7.287
  518    HZ3  LYS  28           HZ3      LYS  28 -16.527   0.791  -8.891
  519    H    LYS  29           H        LYS  29 -16.739  -4.982  -3.771
  520    HA   LYS  29           HA       LYS  29 -19.077  -5.698  -5.208
  521    HB2  LYS  29           HB3      LYS  29 -17.601  -7.094  -2.968
  522    HB3  LYS  29           HB2      LYS  29 -18.845  -7.826  -3.968
  523    HG2  LYS  29           HG3      LYS  29 -17.497  -7.731  -5.900
  524    HG3  LYS  29           HG2      LYS  29 -16.331  -6.666  -5.116
  525    HD2  LYS  29           HD3      LYS  29 -15.411  -8.888  -5.246
  526    HD3  LYS  29           HD2      LYS  29 -15.755  -8.502  -3.562
  527    HE2  LYS  29           HE3      LYS  29 -17.732 -10.002  -5.239
  528    HE3  LYS  29           HE2      LYS  29 -16.385 -10.836  -4.471
  529    HZ1  LYS  29           HZ1      LYS  29 -18.335 -10.937  -3.090
  530    HZ2  LYS  29           HZ2      LYS  29 -18.485  -9.257  -3.088
  531    HZ3  LYS  29           HZ3      LYS  29 -17.163  -9.986  -2.328
  532    H    LEU  30           H        LEU  30 -18.422  -4.631  -1.953
  533    HA   LEU  30           HA       LEU  30 -20.961  -5.314  -0.857
  534    HB2  LEU  30           HB3      LEU  30 -18.871  -3.343   0.000
  535    HB3  LEU  30           HB2      LEU  30 -20.279  -3.747   0.964
  536    HG   LEU  30           HG       LEU  30 -18.051  -5.635   0.183
  537   HD11  LEU  30          HD11      LEU  30 -17.393  -4.021   1.883
  538   HD12  LEU  30          HD12      LEU  30 -17.540  -5.638   2.571
  539   HD13  LEU  30          HD13      LEU  30 -18.808  -4.443   2.847
  540   HD21  LEU  30          HD21      LEU  30 -19.171  -7.231   1.677
  541   HD22  LEU  30          HD22      LEU  30 -20.174  -6.810   0.292
  542   HD23  LEU  30          HD23      LEU  30 -20.508  -6.099   1.870
  543    H    VAL  31           H        VAL  31 -19.668  -2.501  -2.505
  544    HA   VAL  31           HA       VAL  31 -21.944  -0.842  -1.885
  545    HB   VAL  31           HB       VAL  31 -19.800  -0.361  -3.972
  546   HG11  VAL  31          HG11      VAL  31 -21.711   1.546  -2.628
  547   HG12  VAL  31          HG12      VAL  31 -21.801   0.994  -4.301
  548   HG13  VAL  31          HG13      VAL  31 -20.443   1.986  -3.772
  549   HG21  VAL  31          HG21      VAL  31 -19.921   0.596  -1.117
  550   HG22  VAL  31          HG22      VAL  31 -18.696   1.031  -2.312
  551   HG23  VAL  31          HG23      VAL  31 -18.824  -0.635  -1.746
  552    H    GLY  32           H        GLY  32 -21.009  -3.058  -4.388
  553    HA2  GLY  32           HA3      GLY  32 -23.531  -3.440  -5.409
  554    HA3  GLY  32           HA2      GLY  32 -22.853  -2.121  -6.352
  555    H    GLU  33           H        GLU  33 -21.778  -5.298  -5.115
  556    HA   GLU  33           HA       GLU  33 -20.090  -6.076  -7.093
  557    HB2  GLU  33           HB3      GLU  33 -21.245  -8.434  -6.793
  558    HB3  GLU  33           HB2      GLU  33 -20.267  -7.718  -5.528
  559    HG2  GLU  33           HG3      GLU  33 -22.199  -8.635  -4.513
  560    HG3  GLU  33           HG2      GLU  33 -22.363  -6.886  -4.470
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  24.739   6.647  -7.150
    2    H2   GLY   1           H2       GLY   1  25.795   7.316  -6.014
    3    H3   GLY   1           H3       GLY   1  24.151   7.706  -5.972
    4    HA2  GLY   1           HA2      GLY   1  25.310   5.026  -5.461
    5    HA3  GLY   1           HA3      GLY   1  24.699   6.128  -4.235
    6    H    SER   2           H        SER   2  23.790   3.440  -4.803
    7    HA   SER   2           HA       SER   2  21.319   3.643  -6.261
    8    HB2  SER   2           HB3      SER   2  22.354   1.418  -4.487
    9    HB3  SER   2           HB2      SER   2  20.992   1.302  -5.602
   10    HG   SER   2           HG       SER   2  23.509   2.133  -6.554
   11    H    MET   3           H        MET   3  22.327   3.831  -2.931
   12    HA   MET   3           HA       MET   3  19.923   3.265  -1.637
   13    HB2  MET   3           HB3      MET   3  22.319   4.902  -0.893
   14    HB3  MET   3           HB2      MET   3  20.909   4.874   0.157
   15    HG2  MET   3           HG3      MET   3  22.488   2.468  -0.723
   16    HG3  MET   3           HG2      MET   3  22.600   3.260   0.848
   17    HE1  MET   3           HE1      MET   3  22.106   1.027   2.181
   18    HE2  MET   3           HE2      MET   3  22.087   0.159   0.647
   19    HE3  MET   3           HE3      MET   3  20.771  -0.059   1.802
   20    H    LYS   4           H        LYS   4  21.075   6.253  -3.074
   21    HA   LYS   4           HA       LYS   4  19.293   8.087  -2.049
   22    HB2  LYS   4           HB3      LYS   4  21.181   8.638  -3.538
   23    HB3  LYS   4           HB2      LYS   4  20.317   7.925  -4.891
   24    HG2  LYS   4           HG3      LYS   4  20.127  10.311  -4.991
   25    HG3  LYS   4           HG2      LYS   4  18.549   9.622  -4.611
   26    HD2  LYS   4           HD3      LYS   4  18.844  10.169  -2.268
   27    HD3  LYS   4           HD2      LYS   4  20.470  10.775  -2.593
   28    HE2  LYS   4           HE3      LYS   4  18.915  12.619  -2.397
   29    HE3  LYS   4           HE2      LYS   4  19.515  12.506  -4.050
   30    HZ1  LYS   4           HZ1      LYS   4  16.879  11.555  -3.069
   31    HZ2  LYS   4           HZ2      LYS   4  17.449  11.353  -4.645
   32    HZ3  LYS   4           HZ3      LYS   4  17.153  12.903  -4.048
   33    H    GLN   5           H        GLN   5  18.860   6.228  -5.066
   34    HA   GLN   5           HA       GLN   5  16.163   7.125  -5.386
   35    HB2  GLN   5           HB3      GLN   5  17.623   4.874  -6.783
   36    HB3  GLN   5           HB2      GLN   5  16.064   5.522  -7.261
   37    HG2  GLN   5           HG3      GLN   5  17.592   6.503  -8.717
   38    HG3  GLN   5           HG2      GLN   5  17.243   7.754  -7.529
   39   HE21  GLN   5          HE21      GLN   5  19.313   4.991  -6.951
   40   HE22  GLN   5          HE22      GLN   5  20.789   5.891  -6.815
   41    H    LEU   6           H        LEU   6  17.712   4.330  -3.985
   42    HA   LEU   6           HA       LEU   6  15.443   2.641  -3.971
   43    HB2  LEU   6           HB3      LEU   6  17.822   1.912  -3.725
   44    HB3  LEU   6           HB2      LEU   6  17.802   2.559  -2.097
   45    HG   LEU   6           HG       LEU   6  16.130   0.936  -1.422
   46   HD11  LEU   6          HD11      LEU   6  14.871   0.763  -3.494
   47   HD12  LEU   6          HD12      LEU   6  15.408  -0.833  -2.970
   48   HD13  LEU   6          HD13      LEU   6  16.246  -0.008  -4.284
   49   HD21  LEU   6          HD21      LEU   6  18.371  -0.363  -2.963
   50   HD22  LEU   6          HD22      LEU   6  17.457  -1.085  -1.638
   51   HD23  LEU   6          HD23      LEU   6  18.498   0.307  -1.336
   52    H    GLU   7           H        GLU   7  16.723   4.965  -1.621
   53    HA   GLU   7           HA       GLU   7  14.811   4.388   0.399
   54    HB2  GLU   7           HB3      GLU   7  16.758   6.559  -0.118
   55    HB3  GLU   7           HB2      GLU   7  15.388   6.976   0.901
   56    HG2  GLU   7           HG3      GLU   7  17.175   6.304   2.309
   57    HG3  GLU   7           HG2      GLU   7  15.951   5.040   2.351
   58    H    ASP   8           H        ASP   8  14.830   6.514  -2.395
   59    HA   ASP   8           HA       ASP   8  12.362   7.799  -1.777
   60    HB2  ASP   8           HB3      ASP   8  13.973   7.537  -4.304
   61    HB3  ASP   8           HB2      ASP   8  12.378   8.283  -4.315
   62    H    LYS   9           H        LYS   9  13.265   4.849  -3.402
   63    HA   LYS   9           HA       LYS   9  10.850   4.277  -4.703
   64    HB2  LYS   9           HB3      LYS   9  12.966   3.066  -5.106
   65    HB3  LYS   9           HB2      LYS   9  12.835   2.327  -3.516
   66    HG2  LYS   9           HG3      LYS   9  10.791   1.197  -4.187
   67    HG3  LYS   9           HG2      LYS   9  10.873   1.969  -5.772
   68    HD2  LYS   9           HD3      LYS   9  13.025   0.844  -6.183
   69    HD3  LYS   9           HD2      LYS   9  12.889   0.040  -4.618
   70    HE2  LYS   9           HE3      LYS   9  10.836  -1.054  -5.347
   71    HE3  LYS   9           HE2      LYS   9  10.937  -0.225  -6.899
   72    HZ1  LYS   9           HZ1      LYS   9  11.758  -2.492  -7.033
   73    HZ2  LYS   9           HZ2      LYS   9  12.926  -2.161  -5.855
   74    HZ3  LYS   9           HZ3      LYS   9  12.996  -1.384  -7.354
   75    H    VAL  10           H        VAL  10  11.981   3.373  -1.456
   76    HA   VAL  10           HA       VAL  10   9.677   1.959  -0.673
   77    HB   VAL  10           HB       VAL  10  11.584   3.529   1.079
   78   HG11  VAL  10          HG11      VAL  10  10.859   2.020   2.865
   79   HG12  VAL  10          HG12      VAL  10   9.694   1.281   1.767
   80   HG13  VAL  10          HG13      VAL  10   9.514   2.971   2.237
   81   HG21  VAL  10          HG21      VAL  10  12.716   1.870  -0.332
   82   HG22  VAL  10          HG22      VAL  10  11.642   0.620   0.294
   83   HG23  VAL  10          HG23      VAL  10  12.771   1.434   1.375
   84    H    GLU  11           H        GLU  11  10.539   5.380  -0.432
   85    HA   GLU  11           HA       GLU  11   8.243   6.223   0.971
   86    HB2  GLU  11           HB3      GLU  11  10.017   7.750  -0.938
   87    HB3  GLU  11           HB2      GLU  11   8.811   8.482   0.111
   88    HG2  GLU  11           HG3      GLU  11  10.007   7.701   2.069
   89    HG3  GLU  11           HG2      GLU  11  11.193   6.898   1.043
   90    H    GLU  12           H        GLU  12   8.934   5.810  -2.462
   91    HA   GLU  12           HA       GLU  12   6.563   6.801  -3.528
   92    HB2  GLU  12           HB3      GLU  12   8.306   4.506  -4.412
   93    HB3  GLU  12           HB2      GLU  12   6.918   5.053  -5.340
   94    HG2  GLU  12           HG3      GLU  12   9.265   6.778  -4.595
   95    HG3  GLU  12           HG2      GLU  12   9.064   5.958  -6.143
   96    H    LEU  13           H        LEU  13   7.220   3.476  -2.355
   97    HA   LEU  13           HA       LEU  13   4.570   2.623  -2.802
   98    HB2  LEU  13           HB3      LEU  13   6.778   1.474  -1.134
   99    HB3  LEU  13           HB2      LEU  13   5.152   0.826  -1.040
  100    HG   LEU  13           HG       LEU  13   5.258   0.630  -3.581
  101   HD11  LEU  13          HD11      LEU  13   8.209   0.850  -3.000
  102   HD12  LEU  13          HD12      LEU  13   7.244   1.994  -3.932
  103   HD13  LEU  13          HD13      LEU  13   7.488   0.353  -4.530
  104   HD21  LEU  13          HD21      LEU  13   5.252  -1.290  -2.131
  105   HD22  LEU  13          HD22      LEU  13   6.975  -1.091  -1.798
  106   HD23  LEU  13          HD23      LEU  13   6.435  -1.538  -3.416
  107    H    LEU  14           H        LEU  14   5.936   4.438  -0.161
  108    HA   LEU  14           HA       LEU  14   3.860   4.074   1.686
  109    HB2  LEU  14           HB3      LEU  14   5.580   6.460   1.079
  110    HB3  LEU  14           HB2      LEU  14   4.371   6.492   2.350
  111    HG   LEU  14           HG       LEU  14   7.041   5.197   2.309
  112   HD11  LEU  14          HD11      LEU  14   6.875   5.763   4.743
  113   HD12  LEU  14          HD12      LEU  14   5.301   6.488   4.405
  114   HD13  LEU  14          HD13      LEU  14   6.762   7.150   3.663
  115   HD21  LEU  14          HD21      LEU  14   5.678   3.208   2.513
  116   HD22  LEU  14          HD22      LEU  14   4.720   3.962   3.791
  117   HD23  LEU  14          HD23      LEU  14   6.419   3.591   4.063
  118    H    SER  15           H        SER  15   4.127   6.269  -1.097
  119    HA   SER  15           HA       SER  15   1.626   7.499  -0.628
  120    HB2  SER  15           HB3      SER  15   1.773   8.397  -2.870
  121    HB3  SER  15           HB2      SER  15   3.366   8.477  -2.124
  122    HG   SER  15           HG       SER  15   3.798   6.451  -3.262
  123    H    LYS  16           H        LYS  16   2.594   4.615  -2.491
  124    HA   LYS  16           HA       LYS  16   0.068   3.935  -3.474
  125    HB2  LYS  16           HB3      LYS  16   2.471   2.347  -2.668
  126    HB3  LYS  16           HB2      LYS  16   0.977   1.500  -3.038
  127    HG2  LYS  16           HG3      LYS  16   0.955   2.512  -5.262
  128    HG3  LYS  16           HG2      LYS  16   2.463   3.353  -4.889
  129    HD2  LYS  16           HD3      LYS  16   3.688   1.354  -4.809
  130    HD3  LYS  16           HD2      LYS  16   2.234   0.367  -4.670
  131    HE2  LYS  16           HE3      LYS  16   3.211   0.161  -6.886
  132    HE3  LYS  16           HE2      LYS  16   1.629   0.931  -6.970
  133    HZ1  LYS  16           HZ1      LYS  16   2.773   3.089  -7.102
  134    HZ2  LYS  16           HZ2      LYS  16   3.158   2.073  -8.395
  135    HZ3  LYS  16           HZ3      LYS  16   4.261   2.287  -7.135
  136    H    ASN  17           H        ASN  17   1.559   3.102  -0.342
  137    HA   ASN  17           HA       ASN  17  -0.563   1.654   0.740
  138    HB2  ASN  17           HB3      ASN  17   1.449   3.412   2.162
  139    HB3  ASN  17           HB2      ASN  17   0.379   2.270   2.962
  140   HD21  ASN  17          HD21      ASN  17   0.648   0.304   0.800
  141   HD22  ASN  17          HD22      ASN  17   2.212  -0.395   0.997
  142    H    TYR  18           H        TYR  18   0.216   5.102   1.228
  143    HA   TYR  18           HA       TYR  18  -2.052   5.626   2.803
  144    HB2  TYR  18           HB3      TYR  18  -0.324   7.512   1.201
  145    HB3  TYR  18           HB2      TYR  18  -1.541   8.024   2.365
  146    HD1  TYR  18           HD1      TYR  18  -1.169   6.168   4.575
  147    HD2  TYR  18           HD2      TYR  18   1.743   8.065   2.121
  148    HE1  TYR  18           HE1      TYR  18   0.475   5.972   6.389
  149    HE2  TYR  18           HE2      TYR  18   3.398   7.873   3.930
  150    HH   TYR  18           HH       TYR  18   3.390   7.660   6.410
  151    H    HIS  19           H        HIS  19  -1.572   5.953  -0.709
  152    HA   HIS  19           HA       HIS  19  -4.040   7.238  -1.211
  153    HB2  HIS  19           HB3      HIS  19  -2.255   5.549  -2.952
  154    HB3  HIS  19           HB2      HIS  19  -3.785   6.181  -3.543
  155    HD1  HIS  19           HD1      HIS  19  -0.801   6.959  -4.500
  156    HD2  HIS  19           HD2      HIS  19  -3.362   9.213  -2.123
  157    HE1  HIS  19           HE1      HIS  19  -0.049   9.344  -4.767
  158    HE2  HIS  19           HE2      HIS  19  -1.660  10.696  -3.382
  159    H    LEU  20           H        LEU  20  -3.125   3.814  -1.216
  160    HA   LEU  20           HA       LEU  20  -5.717   2.850  -1.833
  161    HB2  LEU  20           HB3      LEU  20  -3.155   1.710  -0.924
  162    HB3  LEU  20           HB2      LEU  20  -4.580   0.795  -0.492
  163    HG   LEU  20           HG       LEU  20  -3.499   0.030  -2.596
  164   HD11  LEU  20          HD11      LEU  20  -6.278   1.140  -2.926
  165   HD12  LEU  20          HD12      LEU  20  -5.860  -0.403  -2.181
  166   HD13  LEU  20          HD13      LEU  20  -5.548  -0.138  -3.897
  167   HD21  LEU  20          HD21      LEU  20  -2.747   2.196  -3.433
  168   HD22  LEU  20          HD22      LEU  20  -4.425   2.690  -3.667
  169   HD23  LEU  20          HD23      LEU  20  -3.758   1.364  -4.618
  170    H    GLU  21           H        GLU  21  -4.053   3.582   1.178
  171    HA   GLU  21           HA       GLU  21  -5.906   2.479   2.974
  172    HB2  GLU  21           HB3      GLU  21  -3.638   3.348   3.560
  173    HB3  GLU  21           HB2      GLU  21  -4.250   4.983   3.356
  174    HG2  GLU  21           HG3      GLU  21  -5.848   4.603   5.169
  175    HG3  GLU  21           HG2      GLU  21  -5.208   2.973   5.380
  176    H    ASN  22           H        ASN  22  -5.733   5.686   1.487
  177    HA   ASN  22           HA       ASN  22  -8.100   6.678   2.709
  178    HB2  ASN  22           HB3      ASN  22  -6.496   7.573   0.323
  179    HB3  ASN  22           HB2      ASN  22  -7.968   8.399   0.822
  180   HD21  ASN  22          HD21      ASN  22  -6.840  10.288   1.264
  181   HD22  ASN  22          HD22      ASN  22  -5.833  10.452   2.659
  182    H    GLU  23           H        GLU  23  -7.454   4.662   0.025
  183    HA   GLU  23           HA       GLU  23  -9.845   5.190  -1.452
  184    HB2  GLU  23           HB3      GLU  23  -7.704   4.347  -2.443
  185    HB3  GLU  23           HB2      GLU  23  -7.997   2.798  -1.628
  186    HG2  GLU  23           HG3      GLU  23  -8.660   2.601  -3.907
  187    HG3  GLU  23           HG2      GLU  23 -10.109   2.597  -2.906
  188    H    VAL  24           H        VAL  24  -8.812   2.685   0.854
  189    HA   VAL  24           HA       VAL  24 -11.236   1.195   0.669
  190    HB   VAL  24           HB       VAL  24  -9.305   1.254   3.005
  191   HG11  VAL  24          HG11      VAL  24 -10.211  -0.921   3.560
  192   HG12  VAL  24          HG12      VAL  24 -11.267  -0.883   2.148
  193   HG13  VAL  24          HG13      VAL  24 -11.523   0.253   3.475
  194   HG21  VAL  24          HG21      VAL  24  -8.261  -0.691   1.990
  195   HG22  VAL  24          HG22      VAL  24  -8.159   0.706   0.919
  196   HG23  VAL  24          HG23      VAL  24  -9.341  -0.565   0.604
  197    H    ALA  25           H        ALA  25 -10.133   3.861   2.676
  198    HA   ALA  25           HA       ALA  25 -12.144   3.735   4.635
  199    HB1  ALA  25           HB1      ALA  25 -10.749   6.233   3.720
  200    HB2  ALA  25           HB2      ALA  25 -10.030   5.042   4.806
  201    HB3  ALA  25           HB3      ALA  25 -11.478   5.922   5.291
  202    H    ARG  26           H        ARG  26 -12.047   5.460   1.532
  203    HA   ARG  26           HA       ARG  26 -14.464   6.844   1.953
  204    HB2  ARG  26           HB3      ARG  26 -14.440   7.064  -0.579
  205    HB3  ARG  26           HB2      ARG  26 -13.108   7.778   0.304
  206    HG2  ARG  26           HG3      ARG  26 -11.733   5.820  -0.267
  207    HG3  ARG  26           HG2      ARG  26 -13.071   5.175  -1.225
  208    HD2  ARG  26           HD2      ARG  26 -11.636   7.789  -1.676
  209    HD3  ARG  26           HD1      ARG  26 -11.473   6.327  -2.645
  210    HE   ARG  26           HE       ARG  26 -14.179   7.231  -2.513
  211   HH11  ARG  26          HH11      ARG  26 -11.110   7.813  -4.083
  212   HH12  ARG  26          HH12      ARG  26 -11.822   8.470  -5.521
  213   HH21  ARG  26          HH21      ARG  26 -15.124   8.128  -4.390
  214   HH22  ARG  26          HH22      ARG  26 -14.104   8.645  -5.699
  215    H    LEU  27           H        LEU  27 -13.757   3.778   0.284
  216    HA   LEU  27           HA       LEU  27 -16.436   3.286  -0.460
  217    HB2  LEU  27           HB3      LEU  27 -14.060   1.488  -0.123
  218    HB3  LEU  27           HB2      LEU  27 -15.651   0.820  -0.378
  219    HG   LEU  27           HG       LEU  27 -15.852   1.968  -2.504
  220   HD11  LEU  27          HD11      LEU  27 -14.514   3.940  -2.072
  221   HD12  LEU  27          HD12      LEU  27 -13.928   3.103  -3.510
  222   HD13  LEU  27          HD13      LEU  27 -13.056   2.952  -1.984
  223   HD21  LEU  27          HD21      LEU  27 -14.105   0.731  -3.731
  224   HD22  LEU  27          HD22      LEU  27 -14.976  -0.244  -2.548
  225   HD23  LEU  27          HD23      LEU  27 -13.351   0.341  -2.184
  226    H    LYS  28           H        LYS  28 -14.627   2.594   2.476
  227    HA   LYS  28           HA       LYS  28 -16.427   0.938   3.775
  228    HB2  LYS  28           HB3      LYS  28 -14.149   1.604   4.592
  229    HB3  LYS  28           HB2      LYS  28 -14.825   3.156   5.064
  230    HG2  LYS  28           HG3      LYS  28 -14.664   1.723   6.985
  231    HG3  LYS  28           HG2      LYS  28 -16.364   1.992   6.596
  232    HD2  LYS  28           HD3      LYS  28 -16.446  -0.180   5.466
  233    HD3  LYS  28           HD2      LYS  28 -14.746  -0.448   5.854
  234    HE2  LYS  28           HE3      LYS  28 -15.279  -0.368   8.239
  235    HE3  LYS  28           HE2      LYS  28 -16.976  -0.089   7.853
  236    HZ1  LYS  28           HZ1      LYS  28 -15.406  -2.515   7.181
  237    HZ2  LYS  28           HZ2      LYS  28 -17.011  -2.247   6.733
  238    HZ3  LYS  28           HZ3      LYS  28 -16.604  -2.396   8.366
  239    H    LYS  29           H        LYS  29 -16.441   4.461   3.457
  240    HA   LYS  29           HA       LYS  29 -18.788   4.783   5.067
  241    HB2  LYS  29           HB3      LYS  29 -17.406   6.702   3.190
  242    HB3  LYS  29           HB2      LYS  29 -18.685   7.115   4.316
  243    HG2  LYS  29           HG3      LYS  29 -15.964   6.074   5.063
  244    HG3  LYS  29           HG2      LYS  29 -16.496   7.750   5.177
  245    HD2  LYS  29           HD3      LYS  29 -18.213   7.095   6.793
  246    HD3  LYS  29           HD2      LYS  29 -17.695   5.416   6.665
  247    HE2  LYS  29           HE3      LYS  29 -16.766   6.443   8.658
  248    HE3  LYS  29           HE2      LYS  29 -15.486   6.035   7.518
  249    HZ1  LYS  29           HZ1      LYS  29 -15.460   8.353   6.802
  250    HZ2  LYS  29           HZ2      LYS  29 -15.132   8.215   8.454
  251    HZ3  LYS  29           HZ3      LYS  29 -16.655   8.731   7.939
  252    H    LEU  30           H        LEU  30 -18.102   4.225   1.709
  253    HA   LEU  30           HA       LEU  30 -20.658   5.039   0.729
  254    HB2  LEU  30           HB3      LEU  30 -18.628   3.149  -0.463
  255    HB3  LEU  30           HB2      LEU  30 -20.045   3.752  -1.297
  256    HG   LEU  30           HG       LEU  30 -17.716   5.416  -0.336
  257   HD11  LEU  30          HD11      LEU  30 -18.603   4.657  -3.116
  258   HD12  LEU  30          HD12      LEU  30 -17.184   4.034  -2.275
  259   HD13  LEU  30          HD13      LEU  30 -17.273   5.740  -2.713
  260   HD21  LEU  30          HD21      LEU  30 -19.785   6.675  -0.195
  261   HD22  LEU  30          HD22      LEU  30 -20.206   6.210  -1.843
  262   HD23  LEU  30          HD23      LEU  30 -18.812   7.249  -1.548
  263    H    VAL  31           H        VAL  31 -19.281   2.055   1.947
  264    HA   VAL  31           HA       VAL  31 -21.591   0.458   1.389
  265    HB   VAL  31           HB       VAL  31 -19.331  -0.051   3.351
  266   HG11  VAL  31          HG11      VAL  31 -21.296  -1.390   3.877
  267   HG12  VAL  31          HG12      VAL  31 -20.013  -2.402   3.213
  268   HG13  VAL  31          HG13      VAL  31 -21.385  -1.943   2.204
  269   HG21  VAL  31          HG21      VAL  31 -18.415  -1.499   1.605
  270   HG22  VAL  31          HG22      VAL  31 -18.520   0.180   1.071
  271   HG23  VAL  31          HG23      VAL  31 -19.708  -1.000   0.515
  272    H    GLY  32           H        GLY  32 -20.590   2.586   3.938
  273    HA2  GLY  32           HA3      GLY  32 -22.546   1.575   5.829
  274    HA3  GLY  32           HA2      GLY  32 -21.431   2.908   6.090
  275    H    GLU  33           H        GLU  33 -22.024   4.515   3.922
  276    HA   GLU  33           HA       GLU  33 -23.410   6.157   3.221
  277    HB2  GLU  33           HB3      GLU  33 -25.589   4.186   3.935
  278    HB3  GLU  33           HB2      GLU  33 -25.851   5.693   3.068
  279    HG2  GLU  33           HG3      GLU  33 -24.430   4.907   1.252
  280    HG3  GLU  33           HG2      GLU  33 -24.136   3.405   2.125
  281    H1   GLY   1           H1       GLY   1  24.748  -6.820   6.457
  282    H2   GLY   1           H2       GLY   1  25.796  -7.499   5.317
  283    H3   GLY   1           H3       GLY   1  24.151  -7.890   5.292
  284    HA2  GLY   1           HA2      GLY   1  25.302  -5.215   4.751
  285    HA3  GLY   1           HA3      GLY   1  24.687  -6.327   3.536
  286    H    SER   2           H        SER   2  23.788  -3.626   4.106
  287    HA   SER   2           HA       SER   2  21.321  -3.817   5.571
  288    HB2  SER   2           HB3      SER   2  22.355  -1.603   3.784
  289    HB3  SER   2           HB2      SER   2  20.998  -1.478   4.903
  290    HG   SER   2           HG       SER   2  23.526  -2.297   5.833
  291    H    MET   3           H        MET   3  22.315  -4.021   2.239
  292    HA   MET   3           HA       MET   3  19.907  -3.458   0.948
  293    HB2  MET   3           HB3      MET   3  22.298  -5.101   0.207
  294    HB3  MET   3           HB2      MET   3  20.886  -5.079  -0.840
  295    HG2  MET   3           HG3      MET   3  22.470  -2.667   0.018
  296    HG3  MET   3           HG2      MET   3  22.582  -3.472  -1.546
  297    HE1  MET   3           HE1      MET   3  22.087  -1.247  -2.894
  298    HE2  MET   3           HE2      MET   3  22.071  -0.373  -1.362
  299    HE3  MET   3           HE3      MET   3  20.754  -0.157  -2.516
  300    H    LYS   4           H        LYS   4  21.058  -6.437   2.403
  301    HA   LYS   4           HA       LYS   4  19.272  -8.276   1.388
  302    HB2  LYS   4           HB3      LYS   4  21.166  -8.824   2.872
  303    HB3  LYS   4           HB2      LYS   4  20.307  -8.104   4.226
  304    HG2  LYS   4           HG3      LYS   4  20.114 -10.493   4.335
  305    HG3  LYS   4           HG2      LYS   4  18.534  -9.801   3.959
  306    HD2  LYS   4           HD3      LYS   4  18.821 -10.353   1.617
  307    HD3  LYS   4           HD2      LYS   4  20.443 -10.966   1.935
  308    HE2  LYS   4           HE3      LYS   4  18.885 -12.808   1.751
  309    HE3  LYS   4           HE2      LYS   4  19.484 -12.687   3.404
  310    HZ1  LYS   4           HZ1      LYS   4  16.850 -11.736   2.417
  311    HZ2  LYS   4           HZ2      LYS   4  17.427 -11.525   3.990
  312    HZ3  LYS   4           HZ3      LYS   4  17.127 -13.081   3.405
  313    H    GLN   5           H        GLN   5  18.854  -6.396   4.393
  314    HA   GLN   5           HA       GLN   5  16.157  -7.295   4.730
  315    HB2  GLN   5           HB3      GLN   5  17.624  -5.041   6.111
  316    HB3  GLN   5           HB2      GLN   5  16.066  -5.685   6.598
  317    HG2  GLN   5           HG3      GLN   5  17.600  -6.661   8.055
  318    HG3  GLN   5           HG2      GLN   5  17.248  -7.918   6.872
  319   HE21  GLN   5          HE21      GLN   5  19.316  -5.152   6.269
  320   HE22  GLN   5          HE22      GLN   5  20.790  -6.054   6.127
  321    H    LEU   6           H        LEU   6  17.705  -4.505   3.313
  322    HA   LEU   6           HA       LEU   6  15.440  -2.812   3.298
  323    HB2  LEU   6           HB3      LEU   6  17.823  -2.095   3.037
  324    HB3  LEU   6           HB2      LEU   6  17.792  -2.747   1.412
  325    HG   LEU   6           HG       LEU   6  16.121  -1.117   0.740
  326   HD11  LEU   6          HD11      LEU   6  14.876  -0.933   2.821
  327   HD12  LEU   6          HD12      LEU   6  15.414   0.659   2.283
  328   HD13  LEU   6          HD13      LEU   6  16.259  -0.161   3.597
  329   HD21  LEU   6          HD21      LEU   6  18.376   0.177   2.262
  330   HD22  LEU   6          HD22      LEU   6  17.457   0.898   0.940
  331   HD23  LEU   6          HD23      LEU   6  18.491  -0.500   0.638
  332    H    GLU   7           H        GLU   7  16.703  -5.154   0.959
  333    HA   GLU   7           HA       GLU   7  14.786  -4.577  -1.056
  334    HB2  GLU   7           HB3      GLU   7  16.733  -6.747  -0.543
  335    HB3  GLU   7           HB2      GLU   7  15.358  -7.168  -1.552
  336    HG2  GLU   7           HG3      GLU   7  17.144  -6.503  -2.971
  337    HG3  GLU   7           HG2      GLU   7  15.915  -5.243  -3.015
  338    H    ASP   8           H        ASP   8  14.809  -6.683   1.750
  339    HA   ASP   8           HA       ASP   8  12.341  -7.975   1.139
  340    HB2  ASP   8           HB3      ASP   8  13.962  -7.706   3.659
  341    HB3  ASP   8           HB2      ASP   8  12.363  -8.441   3.683
  342    H    LYS   9           H        LYS   9  13.255  -5.018   2.746
  343    HA   LYS   9           HA       LYS   9  10.847  -4.434   4.056
  344    HB2  LYS   9           HB3      LYS   9  12.968  -3.226   4.451
  345    HB3  LYS   9           HB2      LYS   9  12.836  -2.493   2.858
  346    HG2  LYS   9           HG3      LYS   9  10.793  -1.358   3.531
  347    HG3  LYS   9           HG2      LYS   9  10.881  -2.121   5.118
  348    HD2  LYS   9           HD3      LYS   9  13.038  -1.000   5.513
  349    HD3  LYS   9           HD2      LYS   9  12.898  -0.208   3.943
  350    HE2  LYS   9           HE3      LYS   9  10.852   0.901   4.676
  351    HE3  LYS   9           HE2      LYS   9  10.954   0.084   6.232
  352    HZ1  LYS   9           HZ1      LYS   9  11.787   2.346   6.354
  353    HZ2  LYS   9           HZ2      LYS   9  12.943   2.013   5.167
  354    HZ3  LYS   9           HZ3      LYS   9  13.027   1.240   6.667
  355    H    VAL  10           H        VAL  10  11.972  -3.541   0.805
  356    HA   VAL  10           HA       VAL  10   9.668  -2.132   0.020
  357    HB   VAL  10           HB       VAL  10  11.560  -3.714  -1.732
  358   HG11  VAL  10          HG11      VAL  10  10.828  -2.213  -3.524
  359   HG12  VAL  10          HG12      VAL  10   9.671  -1.466  -2.422
  360   HG13  VAL  10          HG13      VAL  10   9.482  -3.158  -2.883
  361   HG21  VAL  10          HG21      VAL  10  12.701  -2.053  -0.336
  362   HG22  VAL  10          HG22      VAL  10  11.626  -0.803  -0.964
  363   HG23  VAL  10          HG23      VAL  10  12.750  -1.624  -2.045
  364    H    GLU  11           H        GLU  11  10.519  -5.556  -0.203
  365    HA   GLU  11           HA       GLU  11   8.210  -6.398  -1.590
  366    HB2  GLU  11           HB3      GLU  11   9.989  -7.922   0.320
  367    HB3  GLU  11           HB2      GLU  11   8.773  -8.653  -0.720
  368    HG2  GLU  11           HG3      GLU  11   9.962  -7.888  -2.689
  369    HG3  GLU  11           HG2      GLU  11  11.158  -7.086  -1.670
  370    H    GLU  12           H        GLU  12   8.922  -5.967   1.837
  371    HA   GLU  12           HA       GLU  12   6.554  -6.946   2.919
  372    HB2  GLU  12           HB3      GLU  12   8.301  -4.646   3.782
  373    HB3  GLU  12           HB2      GLU  12   6.918  -5.191   4.719
  374    HG2  GLU  12           HG3      GLU  12   9.264  -6.914   3.970
  375    HG3  GLU  12           HG2      GLU  12   9.064  -6.094   5.517
  376    H    LEU  13           H        LEU  13   7.210  -3.633   1.717
  377    HA   LEU  13           HA       LEU  13   4.564  -2.773   2.180
  378    HB2  LEU  13           HB3      LEU  13   6.766  -1.635   0.495
  379    HB3  LEU  13           HB2      LEU  13   5.140  -0.985   0.405
  380    HG   LEU  13           HG       LEU  13   5.257  -0.776   2.944
  381   HD11  LEU  13          HD11      LEU  13   8.206  -1.009   2.354
  382   HD12  LEU  13          HD12      LEU  13   7.244  -2.149   3.293
  383   HD13  LEU  13          HD13      LEU  13   7.491  -0.508   3.886
  384   HD21  LEU  13          HD21      LEU  13   5.255   1.139   1.488
  385   HD22  LEU  13          HD22      LEU  13   6.974   0.931   1.146
  386   HD23  LEU  13          HD23      LEU  13   6.445   1.387   2.767
  387    H    LEU  14           H        LEU  14   5.913  -4.601  -0.460
  388    HA   LEU  14           HA       LEU  14   3.829  -4.242  -2.299
  389    HB2  LEU  14           HB3      LEU  14   5.542  -6.633  -1.685
  390    HB3  LEU  14           HB2      LEU  14   4.331  -6.664  -2.954
  391    HG   LEU  14           HG       LEU  14   7.007  -5.380  -2.926
  392   HD11  LEU  14          HD11      LEU  14   6.827  -5.953  -5.358
  393   HD12  LEU  14          HD12      LEU  14   5.254  -6.674  -5.010
  394   HD13  LEU  14          HD13      LEU  14   6.716  -7.336  -4.270
  395   HD21  LEU  14          HD21      LEU  14   5.651  -3.386  -3.134
  396   HD22  LEU  14          HD22      LEU  14   4.683  -4.143  -4.401
  397   HD23  LEU  14          HD23      LEU  14   6.382  -3.781  -4.687
  398    H    SER  15           H        SER  15   4.104  -6.423   0.489
  399    HA   SER  15           HA       SER  15   1.600  -7.653   0.041
  400    HB2  SER  15           HB3      SER  15   1.756  -8.533   2.286
  401    HB3  SER  15           HB2      SER  15   3.350  -8.611   1.543
  402    HG   SER  15           HG       SER  15   3.800  -6.596   2.668
  403    H    LYS  16           H        LYS  16   2.583  -4.759   1.884
  404    HA   LYS  16           HA       LYS  16   0.063  -4.068   2.874
  405    HB2  LYS  16           HB3      LYS  16   2.465  -2.488   2.052
  406    HB3  LYS  16           HB2      LYS  16   0.974  -1.640   2.425
  407    HG2  LYS  16           HG3      LYS  16   0.961  -2.641   4.655
  408    HG3  LYS  16           HG2      LYS  16   2.463  -3.489   4.279
  409    HD2  LYS  16           HD3      LYS  16   3.695  -1.495   4.186
  410    HD3  LYS  16           HD2      LYS  16   2.243  -0.503   4.048
  411    HE2  LYS  16           HE3      LYS  16   3.228  -0.297   6.261
  412    HE3  LYS  16           HE2      LYS  16   1.643  -1.061   6.349
  413    HZ1  LYS  16           HZ1      LYS  16   2.781  -3.224   6.481
  414    HZ2  LYS  16           HZ2      LYS  16   3.171  -2.206   7.773
  415    HZ3  LYS  16           HZ3      LYS  16   4.271  -2.425   6.514
  416    H    ASN  17           H        ASN  17   1.544  -3.256  -0.268
  417    HA   ASN  17           HA       ASN  17  -0.581  -1.808  -1.345
  418    HB2  ASN  17           HB3      ASN  17   1.420  -3.575  -2.770
  419    HB3  ASN  17           HB2      ASN  17   0.348  -2.437  -3.571
  420   HD21  ASN  17          HD21      ASN  17   0.639  -0.460  -1.415
  421   HD22  ASN  17          HD22      ASN  17   2.205   0.233  -1.625
  422    H    TYR  18           H        TYR  18   0.184  -5.262  -1.825
  423    HA   TYR  18           HA       TYR  18  -2.093  -5.787  -3.382
  424    HB2  TYR  18           HB3      TYR  18  -0.363  -7.672  -1.778
  425    HB3  TYR  18           HB2      TYR  18  -1.589  -8.190  -2.931
  426    HD1  TYR  18           HD1      TYR  18  -1.226  -6.341  -5.156
  427    HD2  TYR  18           HD2      TYR  18   1.697  -8.232  -2.709
  428    HE1  TYR  18           HE1      TYR  18   0.408  -6.156  -6.979
  429    HE2  TYR  18           HE2      TYR  18   3.340  -8.052  -4.530
  430    HH   TYR  18           HH       TYR  18   3.353  -7.824  -6.986
  431    H    HIS  19           H        HIS  19  -1.597  -6.094   0.128
  432    HA   HIS  19           HA       HIS  19  -4.067  -7.370   0.650
  433    HB2  HIS  19           HB3      HIS  19  -2.266  -5.680   2.373
  434    HB3  HIS  19           HB2      HIS  19  -3.797  -6.304   2.976
  435    HD1  HIS  19           HD1      HIS  19  -0.813  -7.091   3.924
  436    HD2  HIS  19           HD2      HIS  19  -3.394  -9.339   1.562
  437    HE1  HIS  19           HE1      HIS  19  -0.075  -9.476   4.195
  438    HE2  HIS  19           HE2      HIS  19  -1.664 -10.825   2.781
  439    H    LEU  20           H        LEU  20  -3.142  -3.951   0.631
  440    HA   LEU  20           HA       LEU  20  -5.727  -2.974   1.257
  441    HB2  LEU  20           HB3      LEU  20  -3.164  -1.849   0.328
  442    HB3  LEU  20           HB2      LEU  20  -4.589  -0.931  -0.100
  443    HG   LEU  20           HG       LEU  20  -3.497  -0.159   1.995
  444   HD11  LEU  20          HD11      LEU  20  -6.278  -1.263   2.344
  445   HD12  LEU  20          HD12      LEU  20  -5.862   0.276   1.589
  446   HD13  LEU  20          HD13      LEU  20  -5.541   0.019   3.304
  447   HD21  LEU  20          HD21      LEU  20  -2.747  -2.325   2.837
  448   HD22  LEU  20          HD22      LEU  20  -4.424  -2.813   3.084
  449   HD23  LEU  20          HD23      LEU  20  -3.745  -1.485   4.023
  450    H    GLU  21           H        GLU  21  -4.081  -3.725  -1.759
  451    HA   GLU  21           HA       GLU  21  -5.941  -2.630  -3.553
  452    HB2  GLU  21           HB3      GLU  21  -3.674  -3.503  -4.143
  453    HB3  GLU  21           HB2      GLU  21  -4.288  -5.135  -3.931
  454    HG2  GLU  21           HG3      GLU  21  -5.895  -4.760  -5.738
  455    HG3  GLU  21           HG2      GLU  21  -5.250  -3.133  -5.960
  456    H    ASN  22           H        ASN  22  -5.764  -5.831  -2.044
  457    HA   ASN  22           HA       ASN  22  -8.140  -6.821  -3.256
  458    HB2  ASN  22           HB3      ASN  22  -6.526  -7.713  -0.876
  459    HB3  ASN  22           HB2      ASN  22  -8.003  -8.536  -1.364
  460   HD21  ASN  22          HD21      ASN  22  -6.870 -10.428  -1.802
  461   HD22  ASN  22          HD22      ASN  22  -5.869 -10.592  -3.202
  462    H    GLU  23           H        GLU  23  -7.477  -4.799  -0.581
  463    HA   GLU  23           HA       GLU  23  -9.865  -5.309   0.904
  464    HB2  GLU  23           HB3      GLU  23  -7.717  -4.469   1.882
  465    HB3  GLU  23           HB2      GLU  23  -8.008  -2.922   1.062
  466    HG2  GLU  23           HG3      GLU  23  -8.663  -2.712   3.339
  467    HG3  GLU  23           HG2      GLU  23 -10.116  -2.712   2.344
  468    H    VAL  24           H        VAL  24  -8.831  -2.819  -1.421
  469    HA   VAL  24           HA       VAL  24 -11.250  -1.319  -1.228
  470    HB   VAL  24           HB       VAL  24  -9.330  -1.390  -3.573
  471   HG11  VAL  24          HG11      VAL  24 -10.236   0.784  -4.133
  472   HG12  VAL  24          HG12      VAL  24 -11.286   0.755  -2.716
  473   HG13  VAL  24          HG13      VAL  24 -11.551  -0.387  -4.037
  474   HG21  VAL  24          HG21      VAL  24  -8.277   0.555  -2.570
  475   HG22  VAL  24          HG22      VAL  24  -8.175  -0.838  -1.493
  476   HG23  VAL  24          HG23      VAL  24  -9.353   0.437  -1.179
  477    H    ALA  25           H        ALA  25 -10.165  -3.997  -3.231
  478    HA   ALA  25           HA       ALA  25 -12.184  -3.870  -5.181
  479    HB1  ALA  25           HB1      ALA  25 -10.790  -6.368  -4.264
  480    HB2  ALA  25           HB2      ALA  25 -10.073  -5.182  -5.353
  481    HB3  ALA  25           HB3      ALA  25 -11.522  -6.060  -5.835
  482    H    ARG  26           H        ARG  26 -12.079  -5.579  -2.067
  483    HA   ARG  26           HA       ARG  26 -14.501  -6.963  -2.476
  484    HB2  ARG  26           HB3      ARG  26 -14.467  -7.174   0.056
  485    HB3  ARG  26           HB2      ARG  26 -13.140  -7.895  -0.829
  486    HG2  ARG  26           HG3      ARG  26 -11.758  -5.936  -0.266
  487    HG3  ARG  26           HG2      ARG  26 -13.091  -5.288   0.694
  488    HD2  ARG  26           HD2      ARG  26 -11.658  -7.905   1.146
  489    HD3  ARG  26           HD1      ARG  26 -11.484  -6.440   2.109
  490    HE   ARG  26           HE       ARG  26 -14.194  -7.341   1.996
  491   HH11  ARG  26          HH11      ARG  26 -11.112  -7.915   3.558
  492   HH12  ARG  26          HH12      ARG  26 -11.823  -8.558   5.004
  493   HH21  ARG  26          HH21      ARG  26 -15.130  -8.213   3.877
  494   HH22  ARG  26          HH22      ARG  26 -14.115  -8.732   5.185
  495    H    LEU  27           H        LEU  27 -13.778  -3.893  -0.818
  496    HA   LEU  27           HA       LEU  27 -16.453  -3.393  -0.066
  497    HB2  LEU  27           HB3      LEU  27 -14.078  -1.601  -0.421
  498    HB3  LEU  27           HB2      LEU  27 -15.666  -0.929  -0.161
  499    HG   LEU  27           HG       LEU  27 -15.857  -2.067   1.971
  500   HD11  LEU  27          HD11      LEU  27 -14.526  -4.043   1.535
  501   HD12  LEU  27          HD12      LEU  27 -13.931  -3.205   2.969
  502   HD13  LEU  27          HD13      LEU  27 -13.066  -3.059   1.438
  503   HD21  LEU  27          HD21      LEU  27 -14.099  -0.827   3.181
  504   HD22  LEU  27          HD22      LEU  27 -14.974   0.145   1.998
  505   HD23  LEU  27          HD23      LEU  27 -13.352  -0.450   1.628
  506    H    LYS  28           H        LYS  28 -14.656  -2.717  -3.013
  507    HA   LYS  28           HA       LYS  28 -16.461  -1.067  -4.314
  508    HB2  LYS  28           HB3      LYS  28 -14.188  -1.739  -5.134
  509    HB3  LYS  28           HB2      LYS  28 -14.866  -3.292  -5.600
  510    HG2  LYS  28           HG3      LYS  28 -14.711  -1.864  -7.526
  511    HG3  LYS  28           HG2      LYS  28 -16.410  -2.129  -7.128
  512    HD2  LYS  28           HD3      LYS  28 -16.483   0.046  -6.004
  513    HD3  LYS  28           HD2      LYS  28 -14.783   0.307  -6.400
  514    HE2  LYS  28           HE3      LYS  28 -15.327   0.220  -8.780
  515    HE3  LYS  28           HE2      LYS  28 -17.024  -0.049  -8.387
  516    HZ1  LYS  28           HZ1      LYS  28 -15.438   2.371  -7.731
  517    HZ2  LYS  28           HZ2      LYS  28 -17.044   2.112  -7.277
  518    HZ3  LYS  28           HZ3      LYS  28 -16.643   2.252  -8.912
  519    H    LYS  29           H        LYS  29 -16.484  -4.587  -3.969
  520    HA   LYS  29           HA       LYS  29 -18.831  -4.909  -5.579
  521    HB2  LYS  29           HB3      LYS  29 -17.447  -6.822  -3.698
  522    HB3  LYS  29           HB2      LYS  29 -18.735  -7.240  -4.815
  523    HG2  LYS  29           HG3      LYS  29 -16.011  -6.210  -5.577
  524    HG3  LYS  29           HG2      LYS  29 -16.556  -7.885  -5.688
  525    HD2  LYS  29           HD3      LYS  29 -18.272  -7.228  -7.297
  526    HD3  LYS  29           HD2      LYS  29 -17.752  -5.547  -7.174
  527    HE2  LYS  29           HE3      LYS  29 -16.831  -6.584  -9.167
  528    HE3  LYS  29           HE2      LYS  29 -15.548  -6.168  -8.033
  529    HZ1  LYS  29           HZ1      LYS  29 -15.520  -8.483  -7.304
  530    HZ2  LYS  29           HZ2      LYS  29 -15.195  -8.352  -8.954
  531    HZ3  LYS  29           HZ3      LYS  29 -16.717  -8.867  -8.436
  532    H    LEU  30           H        LEU  30 -18.133  -4.353  -2.219
  533    HA   LEU  30           HA       LEU  30 -20.691  -5.143  -1.229
  534    HB2  LEU  30           HB3      LEU  30 -18.649  -3.253  -0.054
  535    HB3  LEU  30           HB2      LEU  30 -20.064  -3.850   0.790
  536    HG   LEU  30           HG       LEU  30 -17.740  -5.523  -0.173
  537   HD11  LEU  30          HD11      LEU  30 -18.614  -4.743   2.604
  538   HD12  LEU  30          HD12      LEU  30 -17.197  -4.130   1.754
  539   HD13  LEU  30          HD13      LEU  30 -17.286  -5.832   2.205
  540   HD21  LEU  30          HD21      LEU  30 -19.812  -6.779  -0.298
  541   HD22  LEU  30          HD22      LEU  30 -20.223  -6.304   1.349
  542   HD23  LEU  30          HD23      LEU  30 -18.834  -7.350   1.054
  543    H    VAL  31           H        VAL  31 -19.308  -2.165  -2.465
  544    HA   VAL  31           HA       VAL  31 -21.616  -0.559  -1.911
  545    HB   VAL  31           HB       VAL  31 -19.357  -0.062  -3.879
  546   HG11  VAL  31          HG11      VAL  31 -21.326   1.279  -4.400
  547   HG12  VAL  31          HG12      VAL  31 -20.038   2.291  -3.746
  548   HG13  VAL  31          HG13      VAL  31 -21.404   1.837  -2.729
  549   HG21  VAL  31          HG21      VAL  31 -18.432   1.388  -2.139
  550   HG22  VAL  31          HG22      VAL  31 -18.539  -0.289  -1.602
  551   HG23  VAL  31          HG23      VAL  31 -19.723   0.894  -1.042
  552    H    GLY  32           H        GLY  32 -20.627  -2.704  -4.452
  553    HA2  GLY  32           HA3      GLY  32 -22.586  -1.701  -6.344
  554    HA3  GLY  32           HA2      GLY  32 -21.480  -3.042  -6.597
  555    H    GLU  33           H        GLU  33 -22.069  -4.637  -4.432
  556    HA   GLU  33           HA       GLU  33 -23.458  -6.262  -3.705
  557    HB2  GLU  33           HB3      GLU  33 -25.634  -4.286  -4.412
  558    HB3  GLU  33           HB2      GLU  33 -25.896  -5.789  -3.537
  559    HG2  GLU  33           HG3      GLU  33 -24.458  -5.005  -1.736
  560    HG3  GLU  33           HG2      GLU  33 -24.160  -3.507  -2.617