*HEADER    TRANSCRIPTION                           01-MAR-16   5IIR              
*TITLE     NMR STRUCTURES SHOW UNWINDING OF THE GCN4P COILED COIL SUPERHELIX     
*TITLE    2 ACCOMPANYING DISRUPTION OF ION PAIRS AT ACIDIC PH                    
*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 5IIR    0                                                
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 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -67.879 35.00 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -35.477 35.00 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -57.343 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 C   ) (segid "   A" and resid 8    and name N   )  1.00 -36.291 35.00 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -66.847 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 C   ) (segid "   A" and resid 9    and name N   )  1.00 -40.359 35.00 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -67.547 35.00 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -39.327 35.00 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -63.282 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 C   ) (segid "   A" and resid 11   and name N   )  1.00 -41.722 35.00 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -65.750 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 C   ) (segid "   A" and resid 12   and name N   )  1.00 -36.263 35.00 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -65.635 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 C   ) (segid "   A" and resid 13   and name N   )  1.00 -38.917 35.00 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -64.563 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 C   ) (segid "   A" and resid 14   and name N   )  1.00 -43.598 35.00 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -64.963 35.00 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -36.507 35.00 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -65.773 35.00 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -42.383 35.00 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -67.412 35.00 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -37.364 35.00 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -66.824 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 C   ) (segid "   A" and resid 18   and name N   )  1.00 -37.519 35.00 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -66.688 35.00 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 -38.845 35.00 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -68.617 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 C   ) (segid "   A" and resid 20   and name N   )  1.00 -36.768 35.00 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -66.335 35.00 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 -38.146 35.00 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -65.901 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 C   ) (segid "   A" and resid 22   and name N   )  1.00 -37.215 35.00 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -69.092 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 C   ) (segid "   A" and resid 23   and name N   )  1.00 -36.776 35.00 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -70.984 35.00 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 -35.831 35.00 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -64.860 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 C   ) (segid "   A" and resid 25   and name N   )  1.00 -39.943 35.00 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -65.340 35.00 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -38.823 35.00 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -66.612 35.00 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -40.513 35.00 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -67.029 35.00 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -38.038 35.00 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -62.200 35.00 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -38.865 35.00 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -69.112 35.00 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 -32.281 35.00 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -80.408 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 C   ) (segid "   A" and resid 31   and name N   )  1.00 -31.600 35.00 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -103.803 35.00 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 1.891 35.00 2

 ASSIGN  (segid "   B" and resid 2    and name C   ) (segid "   B" and resid 3    and name N   )
         (segid "   B" and resid 3    and name CA  ) (segid "   B" and resid 3    and name C   )  1.00 -63.134 35.00 2

 ASSIGN  (segid "   B" and resid 3    and name N   ) (segid "   B" and resid 3    and name CA  )
         (segid "   B" and resid 3    and name C   ) (segid "   B" and resid 4    and name N   )  1.00 -32.189 35.00 2

 ASSIGN  (segid "   B" and resid 3    and name C   ) (segid "   B" and resid 4    and name N   )
         (segid "   B" and resid 4    and name CA  ) (segid "   B" and resid 4    and name C   )  1.00 -60.748 35.00 2

 ASSIGN  (segid "   B" and resid 4    and name N   ) (segid "   B" and resid 4    and name CA  )
         (segid "   B" and resid 4    and name C   ) (segid "   B" and resid 5    and name N   )  1.00 -35.104 35.00 2

 ASSIGN  (segid "   B" and resid 4    and name C   ) (segid "   B" and resid 5    and name N   )
         (segid "   B" and resid 5    and name CA  ) (segid "   B" and resid 5    and name C   )  1.00 -69.059 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 C   ) (segid "   B" and resid 6    and name N   )  1.00 -32.324 35.00 2

 ASSIGN  (segid "   B" and resid 5    and name C   ) (segid "   B" and resid 6    and name N   )
         (segid "   B" and resid 6    and name CA  ) (segid "   B" and resid 6    and name C   )  1.00 -67.879 35.00 2

 ASSIGN  (segid "   B" and resid 6    and name N   ) (segid "   B" and resid 6    and name CA  )
         (segid "   B" and resid 6    and name C   ) (segid "   B" and resid 7    and name N   )  1.00 -35.477 35.00 2

 ASSIGN  (segid "   B" and resid 6    and name C   ) (segid "   B" and resid 7    and name N   )
         (segid "   B" and resid 7    and name CA  ) (segid "   B" and resid 7    and name C   )  1.00 -57.343 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 C   ) (segid "   B" and resid 8    and name N   )  1.00 -36.291 35.00 2

 ASSIGN  (segid "   B" and resid 7    and name C   ) (segid "   B" and resid 8    and name N   )
         (segid "   B" and resid 8    and name CA  ) (segid "   B" and resid 8    and name C   )  1.00 -66.847 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 C   ) (segid "   B" and resid 9    and name N   )  1.00 -40.359 35.00 2

 ASSIGN  (segid "   B" and resid 8    and name C   ) (segid "   B" and resid 9    and name N   )
         (segid "   B" and resid 9    and name CA  ) (segid "   B" and resid 9    and name C   )  1.00 -67.547 35.00 2

 ASSIGN  (segid "   B" and resid 9    and name N   ) (segid "   B" and resid 9    and name CA  )
         (segid "   B" and resid 9    and name C   ) (segid "   B" and resid 10   and name N   )  1.00 -39.327 35.00 2

 ASSIGN  (segid "   B" and resid 9    and name C   ) (segid "   B" and resid 10   and name N   )
         (segid "   B" and resid 10   and name CA  ) (segid "   B" and resid 10   and name C   )  1.00 -63.282 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 C   ) (segid "   B" and resid 11   and name N   )  1.00 -41.722 35.00 2

 ASSIGN  (segid "   B" and resid 10   and name C   ) (segid "   B" and resid 11   and name N   )
         (segid "   B" and resid 11   and name CA  ) (segid "   B" and resid 11   and name C   )  1.00 -65.750 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 C   ) (segid "   B" and resid 12   and name N   )  1.00 -36.263 35.00 2

 ASSIGN  (segid "   B" and resid 11   and name C   ) (segid "   B" and resid 12   and name N   )
         (segid "   B" and resid 12   and name CA  ) (segid "   B" and resid 12   and name C   )  1.00 -65.635 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 C   ) (segid "   B" and resid 13   and name N   )  1.00 -38.917 35.00 2

 ASSIGN  (segid "   B" and resid 12   and name C   ) (segid "   B" and resid 13   and name N   )
         (segid "   B" and resid 13   and name CA  ) (segid "   B" and resid 13   and name C   )  1.00 -64.563 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 C   ) (segid "   B" and resid 14   and name N   )  1.00 -43.598 35.00 2

 ASSIGN  (segid "   B" and resid 13   and name C   ) (segid "   B" and resid 14   and name N   )
         (segid "   B" and resid 14   and name CA  ) (segid "   B" and resid 14   and name C   )  1.00 -64.963 35.00 2

 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 -36.507 35.00 2

 ASSIGN  (segid "   B" and resid 14   and name C   ) (segid "   B" and resid 15   and name N   )
         (segid "   B" and resid 15   and name CA  ) (segid "   B" and resid 15   and name C   )  1.00 -65.773 35.00 2

 ASSIGN  (segid "   B" and resid 15   and name N   ) (segid "   B" and resid 15   and name CA  )
         (segid "   B" and resid 15   and name C   ) (segid "   B" and resid 16   and name N   )  1.00 -42.383 35.00 2

 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 -67.412 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 -37.364 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 -66.824 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 -37.519 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 -66.688 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 -38.845 35.00 2

 ASSIGN  (segid "   B" and resid 18   and name C   ) (segid "   B" and resid 19   and name N   )
         (segid "   B" and resid 19   and name CA  ) (segid "   B" and resid 19   and name C   )  1.00 -68.617 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 C   ) (segid "   B" and resid 20   and name N   )  1.00 -36.768 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 -66.335 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 -38.146 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 -65.901 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 -37.215 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 -69.092 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 -36.776 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 -70.984 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 -35.831 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 -64.860 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 -39.943 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 -65.340 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 -38.823 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 -66.612 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 -40.513 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 -67.029 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 -38.038 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 -62.200 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 -38.865 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 -69.112 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 -32.281 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 -80.408 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 -31.600 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 -103.803 35.00 2

 ASSIGN  (segid "   B" and resid 31   and name N   ) (segid "   B" and resid 31   and name CA  )
         (segid "   B" and resid 31   and name C   ) (segid "   B" and resid 32   and name N   )  1.00 1.891 35.00 2

 ASSIGN  (segid "   A" and resid 2    and name N   ) (segid "   A" and resid 2    and name CA  )
         (segid "   A" and resid 2    and name CB  ) (segid "   A" and resid 2    and name OG  )  1.00 71.400 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 -64.700 35.00 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name CB  ) (segid "   A" and resid 6    and name CG  )  1.00 -71.400 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 -71.600 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 )  1.00 175.200 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 -69.000 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 -74.100 35.00 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name CB  ) (segid "   A" and resid 18   and name CG  )  1.00 176.200 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 -71.400 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 )  1.00 173.400 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 -68.500 35.00 2
 
 ASSIGN  (segid "   B" and resid 2    and name N   ) (segid "   B" and resid 2    and name CA  )
         (segid "   B" and resid 2    and name CB  ) (segid "   B" and resid 2    and name OG  )  1.00 71.400 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 -64.700 35.00 2

 ASSIGN  (segid "   B" and resid 6    and name N   ) (segid "   B" and resid 6    and name CA  )
         (segid "   B" and resid 6    and name CB  ) (segid "   B" and resid 6    and name CG  )  1.00 -71.400 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 -71.600 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 )  1.00 175.200 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 -69.000 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 -74.100 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 CB  ) (segid "   B" and resid 18   and name CG  )  1.00 176.200 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 -71.400 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 )  1.00 173.400 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 -68.500 35.00 2


set message=off echo=off end
end

# Restraints file 3: 44_new_noe.tbl


 ASSI {  123}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HN  ))
      3.411     0.682     0.682 peak   123 weight  1.00000E+00 volume  5.26022E+04 ppm1      7.284 ppm2      4.178

 ASSI {  123}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HN  ))
      3.411     0.682     0.682 peak   123 weight  1.00000E+00 volume  5.26022E+04 ppm1      7.284 ppm2      4.178

 ASSI {  124}
   (( segid "   B" and resid 29   and name  HB2 ))
   (( segid "   B" and resid 29   and name  HN  ))
      2.845     0.569     0.569 peak   124 weight  1.00000E+00 volume  3.78517E+05 ppm1      7.287 ppm2      1.921

 ASSI {  124}
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HN  ))
      2.845     0.569     0.569 peak   124 weight  1.00000E+00 volume  3.78517E+05 ppm1      7.287 ppm2      1.921

! ASSI {  125}
!   (( segid "   A" and resid 28   and name  HA  ))
!   (( segid "   A" and resid 28   and name  HN  ))
!      4.681     0.936     0.936 peak   125 weight  1.00000E+00 volume  1.13466E+03 ppm1      8.891 ppm2      3.812
!17HN

 ASSI {  126}
   (( segid "   B" and resid 26   and name  HA  ))
   (( segid "   B" and resid 26   and name  HN  ))
      3.229     0.646     0.646 peak   126 weight  1.00000E+00 volume  1.39476E+05 ppm1      7.863 ppm2      3.989

 ASSI {  126}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.229     0.646     0.646 peak   126 weight  1.00000E+00 volume  1.39476E+05 ppm1      7.863 ppm2      3.989
!11HN


 ASSI {  144}
   (( segid "   A" and resid 29   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HN  ))
      2.911     0.582     0.582 peak   144 weight  1.00000E+00 volume  2.01512E+05 ppm1      7.286 ppm2      1.700

 ASSI {  144}
   (( segid "   B" and resid 29   and name  HB1 ))
   (( segid "   B" and resid 29   and name  HN  ))
      2.911     0.582     0.582 peak   144 weight  1.00000E+00 volume  2.01512E+05 ppm1      7.286 ppm2      1.700


 ASSI {  217}
   (( segid "   B" and resid 33   and name  HN  ))
   (( segid "   B" and resid 33   and name  HB2 ))
      3.698     0.740     0.740 peak   217 weight  1.00000E+00 volume  3.61554E+04 ppm1      7.887 ppm2      2.265

 ASSI {  217}
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 33   and name  HB2 ))
      3.698     0.740     0.740 peak   217 weight  1.00000E+00 volume  3.61554E+04 ppm1      7.887 ppm2      2.265
!11HN


 ASSI {  226}
   (( segid "   B" and resid 26   and name  HB2 ))
   (( segid "   B" and resid 26   and name  HN  ))
      3.576     0.715     0.715 peak   226 weight  1.00000E+00 volume  1.31256E+05 ppm1      7.866 ppm2      1.618

 ASSI {  226}
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HN  ))
      3.576     0.715     0.715 peak   226 weight  1.00000E+00 volume  1.31256E+05 ppm1      7.866 ppm2      1.618
!11HN

 ASSI {  231}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))
      3.158     0.632     0.632 peak   231 weight  1.00000E+00 volume  2.86480E+06 ppm1      7.517 ppm2      4.167

 ASSI {  231}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HA  ))
      3.158     0.632     0.632 peak   231 weight  1.00000E+00 volume  2.86480E+06 ppm1      7.517 ppm2      4.167

 ASSI {  232}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      3.116     0.623     0.623 peak   232 weight  1.00000E+00 volume  3.10254E+06 ppm1      7.516 ppm2      1.629

 ASSI {  232}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      3.116     0.623     0.623 peak   232 weight  1.00000E+00 volume  3.10254E+06 ppm1      7.516 ppm2      1.629

 ASSI {  233}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG1 ))
      3.261     0.652     0.652 peak   233 weight  1.00000E+00 volume  2.36395E+06 ppm1      7.864 ppm2      2.102

 ASSI {  233}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HG1 ))
      3.261     0.652     0.652 peak   233 weight  1.00000E+00 volume  2.36395E+06 ppm1      7.864 ppm2      2.102
!26HG2

 ASSI {  235}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 27   and name  HA  ))
      4.035     0.807     0.807 peak   235 weight  1.00000E+00 volume  6.58975E+05 ppm1      8.918 ppm2      3.898

 ASSI {  235}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))
      4.035     0.807     0.807 peak   235 weight  1.00000E+00 volume  6.58975E+05 ppm1      8.918 ppm2      3.898
!7HA

 ASSI {  236}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 2    and name  HA  ))
      3.157     0.631     0.631 peak   236 weight  1.00000E+00 volume  2.87220E+06 ppm1      8.919 ppm2      4.600

 ASSI {  236}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HA  ))
      3.157     0.631     0.631 peak   236 weight  1.00000E+00 volume  2.87220E+06 ppm1      8.919 ppm2      4.600
!2HA

 ASSI {  237}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 3    and name  HB1 ))
      3.807     0.761     0.761 peak   237 weight  1.00000E+00 volume  9.33082E+05 ppm1      8.920 ppm2      2.504

 ASSI {  237}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 3    and name  HB1 ))
      3.807     0.761     0.761 peak   237 weight  1.00000E+00 volume  9.33082E+05 ppm1      8.920 ppm2      2.504

 ASSI {  238}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 3    and name  HB2 ))
      2.849     0.570     0.570 peak   238 weight  1.00000E+00 volume  5.30976E+06 ppm1      8.919 ppm2      2.063

 ASSI {  238}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 3    and name  HB2 ))
      2.849     0.570     0.570 peak   238 weight  1.00000E+00 volume  5.30976E+06 ppm1      8.919 ppm2      2.063

 ASSI {  239}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.789     0.758     0.758 peak   239 weight  1.00000E+00 volume  9.60948E+05 ppm1      8.919 ppm2      8.179

 ASSI {  239}
   (( segid "   B" and resid 3    and name  HN  ))
   (( segid "   B" and resid 4    and name  HN  ))
      3.789     0.758     0.758 peak   239 weight  1.00000E+00 volume  9.60948E+05 ppm1      8.919 ppm2      8.179

! ASSI {  240}
!   (( segid "   B" and resid 12   and name  HN  ))
!   (( segid "   A" and resid 5    and name  HG1 ))
!      5.048     1.010     1.010 peak   240 weight  1.00000E+00 volume  1.71708E+05 ppm1      8.230 ppm2      2.450

 ASSI {  241}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.366     0.673     0.673 peak   241 weight  1.00000E+00 volume  1.95502E+06 ppm1      7.789 ppm2      8.246

 ASSI {  241}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 4    and name  HN  ))
      3.366     0.673     0.673 peak   241 weight  1.00000E+00 volume  1.95502E+06 ppm1      7.789 ppm2      8.246

 ASSI {  242}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      4.713     0.943     0.943 peak   242 weight  1.00000E+00 volume  2.59386E+05 ppm1      7.790 ppm2      8.534

 ASSI {  242}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 7    and name  HN  ))
      4.713     0.943     0.943 peak   242 weight  1.00000E+00 volume  2.59386E+05 ppm1      7.790 ppm2      8.534

 ASSI {  243}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 5    and name  HA  ))
      3.087     0.617     0.617 peak   243 weight  1.00000E+00 volume  3.28609E+06 ppm1      7.789 ppm2      4.084

 ASSI {  243}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HA  ))
      3.087     0.617     0.617 peak   243 weight  1.00000E+00 volume  3.28609E+06 ppm1      7.789 ppm2      4.084

 ASSI {  244}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG1 ))
      3.468     0.694     0.694 peak   244 weight  1.00000E+00 volume  1.63426E+06 ppm1      7.789 ppm2      2.408

 ASSI {  244}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 5    and name  HG1 ))
      3.468     0.694     0.694 peak   244 weight  1.00000E+00 volume  1.63426E+06 ppm1      7.789 ppm2      2.408

 ASSI {  245}
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.728     0.946     0.946 peak   245 weight  1.00000E+00 volume  2.54383E+05 ppm1      7.792 ppm2      1.401

 ASSI {  245}
   (( segid "   B" and resid 5    and name  HN  ))
   (( segid "   B" and resid 6    and name  HB2 ))
      4.728     0.946     0.946 peak   245 weight  1.00000E+00 volume  2.54383E+05 ppm1      7.792 ppm2      1.401

 ASSI {  246}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 7    and name  HN  ))
      3.422     0.684     0.684 peak   246 weight  1.00000E+00 volume  1.76955E+06 ppm1      7.894 ppm2      8.541

 ASSI {  246}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.422     0.684     0.684 peak   246 weight  1.00000E+00 volume  1.76955E+06 ppm1      7.894 ppm2      8.541

 ASSI {  247}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   B" and resid 6    and name  HN  ))
      3.246     0.649     0.649 peak   247 weight  1.00000E+00 volume  2.42756E+06 ppm1      7.894 ppm2      4.143

 ASSI {  247}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.246     0.649     0.649 peak   247 weight  1.00000E+00 volume  2.42756E+06 ppm1      7.894 ppm2      4.143

 ASSI {  248}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 5    and name  HG2 ))
      4.267     0.853     0.853 peak   248 weight  1.00000E+00 volume  4.71104E+05 ppm1      7.894 ppm2      2.398

 ASSI {  248}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      4.267     0.853     0.853 peak   248 weight  1.00000E+00 volume  4.71104E+05 ppm1      7.894 ppm2      2.398

 ASSI {  249}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 6    and name  HB1 ))
      2.946     0.589     0.589 peak   249 weight  1.00000E+00 volume  4.34945E+06 ppm1      7.894 ppm2      1.964

 ASSI {  249}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      2.946     0.589     0.589 peak   249 weight  1.00000E+00 volume  4.34945E+06 ppm1      7.894 ppm2      1.964

 ASSI {  250}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 5    and name  HB2 ))
      3.332     0.666     0.666 peak   250 weight  1.00000E+00 volume  2.07859E+06 ppm1      7.895 ppm2      1.716

 ASSI {  250}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      3.332     0.666     0.666 peak   250 weight  1.00000E+00 volume  2.07859E+06 ppm1      7.895 ppm2      1.716

 ASSI {  251}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 6    and name  HB2 ))
      3.547     0.709     0.709 peak   251 weight  1.00000E+00 volume  1.42787E+06 ppm1      7.893 ppm2      1.419

 ASSI {  251}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      3.547     0.709     0.709 peak   251 weight  1.00000E+00 volume  1.42787E+06 ppm1      7.893 ppm2      1.419

 ASSI {  252}
   (( segid "   A" and resid 6    and name  HN  ))
   (  segid "   A" and resid 6    and name  HD1#)
      3.550     0.710     0.710 peak   252 weight  1.00000E+00 volume  1.42098E+06 ppm1      7.895 ppm2      0.866

 ASSI {  252}
   (( segid "   B" and resid 6    and name  HN  ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.550     0.710     0.710 peak   252 weight  1.00000E+00 volume  1.42098E+06 ppm1      7.895 ppm2      0.866

 ASSI {  257}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.183     0.637     0.637 peak   257 weight  1.00000E+00 volume  2.73064E+06 ppm1      8.571 ppm2      7.873

 ASSI {  257}
   (( segid "   B" and resid 6    and name  HN  ))
   (( segid "   B" and resid 7    and name  HN  ))
      3.183     0.637     0.637 peak   257 weight  1.00000E+00 volume  2.73064E+06 ppm1      8.571 ppm2      7.873

! ASSI {  258}
!   (( segid "   B" and resid 18   and name  HN  ))
!   (( segid "   B" and resid 7    and name  HN  ))
!      4.120     0.824     0.824 peak   258 weight  1.00000E+00 volume  5.81232E+05 ppm1      8.570 ppm2      8.250

 ASSI {  259}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 8    and name  HN  ))
      3.464     0.693     0.693 peak   259 weight  1.00000E+00 volume  1.64539E+06 ppm1      8.570 ppm2      4.354

 ASSI {  259}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.464     0.693     0.693 peak   259 weight  1.00000E+00 volume  1.64539E+06 ppm1      8.570 ppm2      4.354

 ASSI {  262}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 8    and name  HB2 ))
      3.011     0.602     0.602 peak   262 weight  1.00000E+00 volume  3.81380E+06 ppm1      8.571 ppm2      2.694

 ASSI {  262}
   (( segid "   B" and resid 8    and name  HN  ))
   (( segid "   B" and resid 8    and name  HB2 ))
      3.011     0.602     0.602 peak   262 weight  1.00000E+00 volume  3.81380E+06 ppm1      8.571 ppm2      2.694

 ASSI {  264}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 6    and name  HB2 ))
      4.272     0.854     0.854 peak   264 weight  1.00000E+00 volume  4.67379E+05 ppm1      8.570 ppm2      1.426

 ASSI {  264}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.272     0.854     0.854 peak   264 weight  1.00000E+00 volume  4.67379E+05 ppm1      8.570 ppm2      1.426

! ASSI {  265}
!   (( segid "   B" and resid 7    and name  HN  ))
!   (( segid "   B" and resid 9    and name  HB2 ))
!      4.157     0.831     0.831 peak   265 weight  1.00000E+00 volume  5.50948E+05 ppm1      8.572 ppm2      1.715

 ASSI {  267}
   (( segid "   B" and resid 7    and name  HN  ))
   (( segid "   B" and resid 7    and name  HG1 ))
      2.799     0.560     0.560 peak   267 weight  1.00000E+00 volume  5.91171E+06 ppm1      8.571 ppm2      2.172

 ASSI {  267}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HG1 ))
      2.799     0.560     0.560 peak   267 weight  1.00000E+00 volume  5.91171E+06 ppm1      8.571 ppm2      2.172

 ASSI {  268}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 10   and name  HN  ))
      3.108     0.622     0.622 peak   268 weight  1.00000E+00 volume  3.15432E+06 ppm1      7.895 ppm2      8.400

 ASSI {  268}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      3.108     0.622     0.622 peak   268 weight  1.00000E+00 volume  3.15432E+06 ppm1      7.895 ppm2      8.400

 ASSI {  269}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 9    and name  HA  ))
      3.079     0.616     0.616 peak   269 weight  1.00000E+00 volume  3.33746E+06 ppm1      7.895 ppm2      4.182

 ASSI {  269}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.079     0.616     0.616 peak   269 weight  1.00000E+00 volume  3.33746E+06 ppm1      7.895 ppm2      4.182

 ASSI {  270}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 9    and name  HB1 ))
      2.850     0.570     0.570 peak   270 weight  1.00000E+00 volume  5.30510E+06 ppm1      7.897 ppm2      2.008

 ASSI {  270}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 9    and name  HB1 ))
      2.850     0.570     0.570 peak   270 weight  1.00000E+00 volume  5.30510E+06 ppm1      7.897 ppm2      2.008

 ASSI {  272}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 9    and name  HG2 ))
      3.982     0.796     0.796 peak   272 weight  1.00000E+00 volume  7.13309E+05 ppm1      7.896 ppm2      1.495

 ASSI {  272}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 9    and name  HG2 ))
      3.982     0.796     0.796 peak   272 weight  1.00000E+00 volume  7.13309E+05 ppm1      7.896 ppm2      1.495

 ASSI {  273}
   (( segid "   A" and resid 9   and name  HN  ))
   (( segid "   A" and resid 8    and name  HB2 ))
      3.329     0.666     0.666 peak   273 weight  1.00000E+00 volume  2.08910E+06 ppm1      7.895 ppm2      2.706

 ASSI {  273}
   (( segid "   B" and resid 9   and name  HN  ))
   (( segid "   B" and resid 8    and name  HB2 ))
      3.329     0.666     0.666 peak   273 weight  1.00000E+00 volume  2.08910E+06 ppm1      7.895 ppm2      2.706

 ASSI {  274}
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 9    and name  HD2 ))
      3.840     0.768     0.768 peak   274 weight  1.00000E+00 volume  8.86908E+05 ppm1      7.896 ppm2      0.886

 ASSI {  274}
   (( segid "   B" and resid 9    and name  HN  ))
   (( segid "   B" and resid 9    and name  HD2 ))
      3.840     0.768     0.768 peak   274 weight  1.00000E+00 volume  8.86908E+05 ppm1      7.896 ppm2      0.886

 ASSI {  275}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.938     0.788     0.788 peak   275 weight  1.00000E+00 volume  7.61744E+05 ppm1      8.409 ppm2      3.409

 ASSI {  275}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 10   and name  HA  ))
      3.938     0.788     0.788 peak   275 weight  1.00000E+00 volume  7.61744E+05 ppm1      8.409 ppm2      3.409

 ASSI {  276}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HB  ))
      3.008     0.602     0.602 peak   276 weight  1.00000E+00 volume  3.83718E+06 ppm1      8.412 ppm2      2.213

 ASSI {  276}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 10   and name  HB  ))
      3.008     0.602     0.602 peak   276 weight  1.00000E+00 volume  3.83718E+06 ppm1      8.412 ppm2      2.213

 ASSI {  277}
   (( segid "   B" and resid 10   and name  HN  ))
   (( segid "   B" and resid 9    and name  HB1 ))
      3.092     0.618     0.618 peak   277 weight  1.00000E+00 volume  3.24917E+06 ppm1      8.414 ppm2      1.997

 ASSI {  277}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HB1 ))
      3.092     0.618     0.618 peak   277 weight  1.00000E+00 volume  3.24917E+06 ppm1      8.414 ppm2      1.997

 ASSI {  278}
   (( segid "   A" and resid 10   and name  HN  ))
   (  segid "   A" and resid 10   and name  HG1#)
      3.273     0.655     0.655 peak   278 weight  1.00000E+00 volume  2.31180E+06 ppm1      8.411 ppm2      1.026

 ASSI {  278}
   (( segid "   B" and resid 10   and name  HN  ))
   (  segid "   B" and resid 10   and name  HG1#)
      3.273     0.655     0.655 peak   278 weight  1.00000E+00 volume  2.31180E+06 ppm1      8.411 ppm2      1.026

 ASSI {  280}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 10   and name  HN  ))
      3.165     0.633     0.633 peak   280 weight  1.00000E+00 volume  2.82540E+06 ppm1      8.410 ppm2      7.878

 ASSI {  280}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 10   and name  HN  ))
      3.165     0.633     0.633 peak   280 weight  1.00000E+00 volume  2.82540E+06 ppm1      8.410 ppm2      7.878

 ASSI {  281}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HA  ))
      3.269     0.654     0.654 peak   281 weight  1.00000E+00 volume  2.32922E+06 ppm1      7.855 ppm2      3.989

 ASSI {  281}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.269     0.654     0.654 peak   281 weight  1.00000E+00 volume  2.32922E+06 ppm1      7.855 ppm2      3.989

 ASSI {  282}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB1 ))
      2.722     0.544     0.544 peak   282 weight  1.00000E+00 volume  6.98314E+06 ppm1      7.855 ppm2      2.164

 ASSI {  282}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HB1 ))
      2.722     0.544     0.544 peak   282 weight  1.00000E+00 volume  6.98314E+06 ppm1      7.855 ppm2      2.164

 ASSI {  283}
   (( segid "   B" and resid 11   and name  HN  ))
   (( segid "   B" and resid 11   and name  HG2 ))
      3.384     0.677     0.677 peak   283 weight  1.00000E+00 volume  1.89101E+06 ppm1      7.856 ppm2      2.445

 ASSI {  283}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HG2 ))
      3.384     0.677     0.677 peak   283 weight  1.00000E+00 volume  1.89101E+06 ppm1      7.856 ppm2      2.445

 ASSI {  285}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 11   and name  HN  ))
      2.994     0.599     0.599 peak   285 weight  1.00000E+00 volume  3.94882E+06 ppm1      7.856 ppm2      8.248

 ASSI {  285}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      2.994     0.599     0.599 peak   285 weight  1.00000E+00 volume  3.94882E+06 ppm1      7.856 ppm2      8.248

 ASSI {  286}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.172     0.634     0.634 peak   286 weight  1.00000E+00 volume  2.78795E+06 ppm1      8.232 ppm2      7.806

 ASSI {  286}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 12   and name  HN  ))
      3.172     0.634     0.634 peak   286 weight  1.00000E+00 volume  2.78795E+06 ppm1      8.232 ppm2      7.806

 ASSI {  287}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 12   and name  HN  ))
      2.949     0.590     0.590 peak   287 weight  1.00000E+00 volume  4.32346E+06 ppm1      8.231 ppm2      4.108

 ASSI {  287}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      2.949     0.590     0.590 peak   287 weight  1.00000E+00 volume  4.32346E+06 ppm1      8.231 ppm2      4.108

 ASSI {  288}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HG2 ))
      3.514     0.703     0.703 peak   288 weight  1.00000E+00 volume  1.50866E+06 ppm1      8.232 ppm2      2.392

 ASSI {  288}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 12   and name  HG2 ))
      3.514     0.703     0.703 peak   288 weight  1.00000E+00 volume  1.50866E+06 ppm1      8.232 ppm2      2.392

 ASSI {  289}
   (( segid "   B" and resid 12   and name  HN  ))
   (( segid "   B" and resid 12   and name  HB2 ))
      2.607     0.521     0.521 peak   289 weight  1.00000E+00 volume  9.05323E+06 ppm1      8.233 ppm2      2.151

 ASSI {  289}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB2 ))
      2.607     0.521     0.521 peak   289 weight  1.00000E+00 volume  9.05323E+06 ppm1      8.233 ppm2      2.151

 ASSI {  290}
   (( segid "   A" and resid 12   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      4.750     0.950     0.950 peak   290 weight  1.00000E+00 volume  2.47562E+05 ppm1      8.232 ppm2      0.829

 ASSI {  290}
   (( segid "   B" and resid 12   and name  HN  ))
   (  segid "   B" and resid 13   and name  HD1#)
      4.750     0.950     0.950 peak   290 weight  1.00000E+00 volume  2.47562E+05 ppm1      8.232 ppm2      0.829

 ASSI {  291}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HA  ))
      3.225     0.645     0.645 peak   291 weight  1.00000E+00 volume  2.52814E+06 ppm1      8.644 ppm2      3.993

 ASSI {  291}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.225     0.645     0.645 peak   291 weight  1.00000E+00 volume  2.52814E+06 ppm1      8.644 ppm2      3.993

 ASSI {  292}
   (( segid "   B" and resid 13   and name  HN  ))
   (  segid "   B" and resid 13   and name  HD1#)
      3.274     0.655     0.655 peak   292 weight  1.00000E+00 volume  2.30627E+06 ppm1      8.640 ppm2      0.823

 ASSI {  292}
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.274     0.655     0.655 peak   292 weight  1.00000E+00 volume  2.30627E+06 ppm1      8.640 ppm2      0.823

 ASSI {  293}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB2 ))
      3.639     0.728     0.728 peak   293 weight  1.00000E+00 volume  1.22301E+06 ppm1      8.641 ppm2      1.224

 ASSI {  293}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HB2 ))
      3.639     0.728     0.728 peak   293 weight  1.00000E+00 volume  1.22301E+06 ppm1      8.641 ppm2      1.224

 ASSI {  294}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HG  ))
      3.056     0.611     0.611 peak   294 weight  1.00000E+00 volume  3.49083E+06 ppm1      8.642 ppm2      1.898

 ASSI {  294}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HG  ))
      3.056     0.611     0.611 peak   294 weight  1.00000E+00 volume  3.49083E+06 ppm1      8.642 ppm2      1.898

 ASSI {  295}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      2.973     0.595     0.595 peak   295 weight  1.00000E+00 volume  4.11560E+06 ppm1      8.641 ppm2      2.083

 ASSI {  295}
   (( segid "   B" and resid 13   and name  HN  ))
   (( segid "   B" and resid 13   and name  HB1 ))
      2.973     0.595     0.595 peak   295 weight  1.00000E+00 volume  4.11560E+06 ppm1      8.641 ppm2      2.083

 ASSI {  297}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 14   and name  HN  ))
      3.509     0.702     0.702 peak   297 weight  1.00000E+00 volume  1.52213E+06 ppm1      8.998 ppm2      7.772

 ASSI {  297}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.509     0.702     0.702 peak   297 weight  1.00000E+00 volume  1.52213E+06 ppm1      8.998 ppm2      7.772

 ASSI {  298}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.994     0.799     0.799 peak   298 weight  1.00000E+00 volume  6.99681E+05 ppm1      8.996 ppm2      7.916

 ASSI {  298}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 11   and name  HN  ))
      3.994     0.799     0.799 peak   298 weight  1.00000E+00 volume  6.99681E+05 ppm1      8.996 ppm2      7.916

 ASSI {  301}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      3.575     0.715     0.715 peak   301 weight  1.00000E+00 volume  1.36031E+06 ppm1      8.998 ppm2      1.390

 ASSI {  301}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 14   and name  HB1 ))
      3.575     0.715     0.715 peak   301 weight  1.00000E+00 volume  1.36031E+06 ppm1      8.998 ppm2      1.390

 ASSI {  303}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.325     0.665     0.665 peak   303 weight  1.00000E+00 volume  2.10177E+06 ppm1      9.000 ppm2      4.033

 ASSI {  303}
   (( segid "   B" and resid 14   and name  HN  ))
   (( segid "   B" and resid 14   and name  HA  ))
      3.325     0.665     0.665 peak   303 weight  1.00000E+00 volume  2.10177E+06 ppm1      9.000 ppm2      4.033

 ASSI {  304}
   (( segid "   B" and resid 15   and name  HN  ))
   (  segid "   B" and resid 14   and name  HD1#)
      4.067     0.813     0.813 peak   304 weight  1.00000E+00 volume  6.28025E+05 ppm1      7.788 ppm2      0.782

 ASSI {  304}
   (( segid "   A" and resid 15   and name  HN  ))
   (  segid "   A" and resid 14   and name  HD1#)
      4.067     0.813     0.813 peak   304 weight  1.00000E+00 volume  6.28025E+05 ppm1      7.788 ppm2      0.782

 ASSI {  305}
   (( segid "   B" and resid 15   and name  HN  ))
   (( segid "   B" and resid 16   and name  HN  ))
      3.527     0.705     0.705 peak   305 weight  1.00000E+00 volume  1.47565E+06 ppm1      8.335 ppm2      7.818

 ASSI {  305}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 16   and name  HN  ))
      3.527     0.705     0.705 peak   305 weight  1.00000E+00 volume  1.47565E+06 ppm1      8.335 ppm2      7.818

 ASSI {  306}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 16   and name  HN  ))
      3.512     0.702     0.702 peak   306 weight  1.00000E+00 volume  1.51517E+06 ppm1      8.333 ppm2      8.821

 ASSI {  306}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HN  ))
      3.512     0.702     0.702 peak   306 weight  1.00000E+00 volume  1.51517E+06 ppm1      8.333 ppm2      8.821

 ASSI {  307}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HA  ))
      3.004     0.601     0.601 peak   307 weight  1.00000E+00 volume  3.86973E+06 ppm1      8.334 ppm2      4.145

 ASSI {  307}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.004     0.601     0.601 peak   307 weight  1.00000E+00 volume  3.86973E+06 ppm1      8.334 ppm2      4.145

 ASSI {  308}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HB1 ))
      2.937     0.587     0.587 peak   308 weight  1.00000E+00 volume  4.43195E+06 ppm1      8.333 ppm2      1.885

 ASSI {  308}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      2.937     0.587     0.587 peak   308 weight  1.00000E+00 volume  4.43195E+06 ppm1      8.333 ppm2      1.885

 ASSI {  309}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HG2 ))
      3.289     0.658     0.658 peak   309 weight  1.00000E+00 volume  2.24602E+06 ppm1      8.334 ppm2      1.628

 ASSI {  309}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HG2 ))
      3.289     0.658     0.658 peak   309 weight  1.00000E+00 volume  2.24602E+06 ppm1      8.334 ppm2      1.628

 ASSI {  310}
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HD2 ))
      4.287     0.857     0.857 peak   310 weight  1.00000E+00 volume  4.57778E+05 ppm1      8.335 ppm2      0.794

 ASSI {  310}
   (( segid "   B" and resid 16   and name  HN  ))
   (( segid "   B" and resid 16   and name  HD2 ))
      4.287     0.857     0.857 peak   310 weight  1.00000E+00 volume  4.57778E+05 ppm1      8.335 ppm2      0.794

 ASSI {  311}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.430     0.686     0.686 peak   311 weight  1.00000E+00 volume  1.74588E+06 ppm1      8.856 ppm2      2.715

 ASSI {  311}
   (( segid "   B" and resid 17   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB1 ))
      3.430     0.686     0.686 peak   311 weight  1.00000E+00 volume  1.74588E+06 ppm1      8.856 ppm2      2.715

 ASSI {  312}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 18   and name  HN  ))
      3.529     0.706     0.706 peak   312 weight  1.00000E+00 volume  1.47096E+06 ppm1      8.283 ppm2      8.714

 ASSI {  312}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.529     0.706     0.706 peak   312 weight  1.00000E+00 volume  1.47096E+06 ppm1      8.283 ppm2      8.714

 ASSI {  313}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.193     0.639     0.639 peak   313 weight  1.00000E+00 volume  2.68148E+06 ppm1      8.282 ppm2      7.968

 ASSI {  313}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.193     0.639     0.639 peak   313 weight  1.00000E+00 volume  2.68148E+06 ppm1      8.282 ppm2      7.968

 ASSI {  314}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      3.088     0.618     0.618 peak   314 weight  1.00000E+00 volume  3.27863E+06 ppm1      8.283 ppm2      4.339

 ASSI {  314}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 18   and name  HA  ))
      3.088     0.618     0.618 peak   314 weight  1.00000E+00 volume  3.27863E+06 ppm1      8.283 ppm2      4.339

 ASSI {  315}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB1 ))
      2.755     0.551     0.551 peak   315 weight  1.00000E+00 volume  6.49367E+06 ppm1      8.286 ppm2      3.136

 ASSI {  315}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 18   and name  HB1 ))
      2.755     0.551     0.551 peak   315 weight  1.00000E+00 volume  6.49367E+06 ppm1      8.286 ppm2      3.136

 ASSI {  316}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 17   and name  HB1 ))
      3.636     0.727     0.727 peak   316 weight  1.00000E+00 volume  1.23046E+06 ppm1      8.283 ppm2      2.703

 ASSI {  316}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.636     0.727     0.727 peak   316 weight  1.00000E+00 volume  1.23046E+06 ppm1      8.283 ppm2      2.703

 ASSI {  317}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.575     0.715     0.715 peak   317 weight  1.00000E+00 volume  1.36198E+06 ppm1      7.966 ppm2      8.655

 ASSI {  317}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.575     0.715     0.715 peak   317 weight  1.00000E+00 volume  1.36198E+06 ppm1      7.966 ppm2      8.655

 ASSI {  318}
   (( segid "   B" and resid 18   and name  HN  ))
   (( segid "   B" and resid 19   and name  HN  ))
      3.418     0.684     0.684 peak   318 weight  1.00000E+00 volume  1.78266E+06 ppm1      7.967 ppm2      8.262

 ASSI {  318}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.418     0.684     0.684 peak   318 weight  1.00000E+00 volume  1.78266E+06 ppm1      7.967 ppm2      8.262

 ASSI {  319}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      2.999     0.600     0.600 peak   319 weight  1.00000E+00 volume  3.90829E+06 ppm1      7.967 ppm2      3.436

 ASSI {  319}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      2.999     0.600     0.600 peak   319 weight  1.00000E+00 volume  3.90829E+06 ppm1      7.967 ppm2      3.436

 ASSI {  320}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.202     0.640     0.640 peak   320 weight  1.00000E+00 volume  2.63509E+06 ppm1      7.967 ppm2      4.342

 ASSI {  320}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 19   and name  HA  ))
      3.202     0.640     0.640 peak   320 weight  1.00000E+00 volume  2.63509E+06 ppm1      7.967 ppm2      4.342

 ASSI {  321}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   B" and resid 19   and name  HN  ))
      4.044     0.809     0.809 peak   321 weight  1.00000E+00 volume  6.49773E+05 ppm1      7.968 ppm2      4.054

 ASSI {  321}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      4.044     0.809     0.809 peak   321 weight  1.00000E+00 volume  6.49773E+05 ppm1      7.968 ppm2      4.054

 ASSI {  322}
   (( segid "   B" and resid 19   and name  HN  ))
   (( segid "   B" and resid 18   and name  HB1 ))
      3.271     0.654     0.654 peak   322 weight  1.00000E+00 volume  2.31962E+06 ppm1      7.969 ppm2      3.139

 ASSI {  322}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HB1 ))
      3.271     0.654     0.654 peak   322 weight  1.00000E+00 volume  2.31962E+06 ppm1      7.969 ppm2      3.139

 ASSI {  323}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 20   and name  HN  ))
      3.801     0.760     0.760 peak   323 weight  1.00000E+00 volume  9.43119E+05 ppm1      8.680 ppm2      7.823

 ASSI {  323}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.801     0.760     0.760 peak   323 weight  1.00000E+00 volume  9.43119E+05 ppm1      8.680 ppm2      7.823

 ASSI {  324}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.461     0.692     0.692 peak   324 weight  1.00000E+00 volume  1.65216E+06 ppm1      8.679 ppm2      4.015

 ASSI {  324}
   (( segid "   B" and resid 20   and name  HA  ))
   (( segid "   B" and resid 20   and name  HN  ))
      3.461     0.692     0.692 peak   324 weight  1.00000E+00 volume  1.65216E+06 ppm1      8.679 ppm2      4.015

 ASSI {  325}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      3.488     0.698     0.698 peak   325 weight  1.00000E+00 volume  1.57935E+06 ppm1      8.678 ppm2      3.421

 ASSI {  325}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      3.488     0.698     0.698 peak   325 weight  1.00000E+00 volume  1.57935E+06 ppm1      8.678 ppm2      3.421

 ASSI {  326}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 20   and name  HG  ))
      3.216     0.643     0.643 peak   326 weight  1.00000E+00 volume  2.56728E+06 ppm1      8.677 ppm2      2.059

 ASSI {  326}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HG  ))
      3.216     0.643     0.643 peak   326 weight  1.00000E+00 volume  2.56728E+06 ppm1      8.677 ppm2      2.059

 ASSI {  327}
   (( segid "   B" and resid 20   and name  HN  ))
   (  segid "   B" and resid 20   and name  HD1#)
      3.228     0.646     0.646 peak   327 weight  1.00000E+00 volume  2.51031E+06 ppm1      8.679 ppm2      0.838

 ASSI {  327}
   (( segid "   A" and resid 20   and name  HN  ))
   (  segid "   A" and resid 20   and name  HD1#)
      3.228     0.646     0.646 peak   327 weight  1.00000E+00 volume  2.51031E+06 ppm1      8.679 ppm2      0.838

 ASSI {  328}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      3.710     0.742     0.742 peak   328 weight  1.00000E+00 volume  1.08967E+06 ppm1      8.677 ppm2      1.255

 ASSI {  328}
   (( segid "   B" and resid 20   and name  HN  ))
   (( segid "   B" and resid 20   and name  HB2 ))
      3.710     0.742     0.742 peak   328 weight  1.00000E+00 volume  1.08967E+06 ppm1      8.677 ppm2      1.255

! ASSI {  329}
!   (( segid "   B" and resid 21   and name  HN  ))
!   (( segid "   B" and resid 25   and name  HN  ))
!      4.193     0.839     0.839 peak   329 weight  1.00000E+00 volume  5.22833E+05 ppm1      8.856 ppm2      7.766

 ASSI {  331}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.228     0.646     0.646 peak   331 weight  1.00000E+00 volume  2.51218E+06 ppm1      8.855 ppm2      4.001

 ASSI {  331}
   (( segid "   B" and resid 21   and name  HA  ))
   (( segid "   B" and resid 21   and name  HN  ))
      3.228     0.646     0.646 peak   331 weight  1.00000E+00 volume  2.51218E+06 ppm1      8.855 ppm2      4.001

 ASSI {  332}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      2.920     0.584     0.584 peak   332 weight  1.00000E+00 volume  4.58623E+06 ppm1      8.860 ppm2      2.072

 ASSI {  332}
   (( segid "   B" and resid 21   and name  HN  ))
   (( segid "   B" and resid 21   and name  HB2 ))
      2.920     0.584     0.584 peak   332 weight  1.00000E+00 volume  4.58623E+06 ppm1      8.860 ppm2      2.072

 ASSI {  333}
   (( segid "   B" and resid 21   and name  HN  ))
   (( segid "   B" and resid 21   and name  HG1 ))
      3.491     0.698     0.698 peak   333 weight  1.00000E+00 volume  1.56900E+06 ppm1      8.857 ppm2      2.465

 ASSI {  333}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HG1 ))
      3.491     0.698     0.698 peak   333 weight  1.00000E+00 volume  1.56900E+06 ppm1      8.857 ppm2      2.465

! ASSI {  334}
!   (( segid "   B" and resid 21   and name  HN  ))
!   (( segid "   B" and resid 20   and name  HB2 ))
!      4.427     0.885     0.885 peak   334 weight  1.00000E+00 volume  3.77417E+05 ppm1      8.855 ppm2      1.252

 ASSI {  336}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 22   and name  HA  ))
      3.250     0.650     0.650 peak   336 weight  1.00000E+00 volume  2.41307E+06 ppm1      7.771 ppm2      4.398

 ASSI {  336}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.250     0.650     0.650 peak   336 weight  1.00000E+00 volume  2.41307E+06 ppm1      7.771 ppm2      4.398

 ASSI {  337}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 22   and name  HB1 ))
      2.871     0.574     0.574 peak   337 weight  1.00000E+00 volume  5.07040E+06 ppm1      7.770 ppm2      2.706

 ASSI {  337}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB1 ))
      2.871     0.574     0.574 peak   337 weight  1.00000E+00 volume  5.07040E+06 ppm1      7.770 ppm2      2.706

 ASSI {  338}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG1 ))
      3.115     0.623     0.623 peak   338 weight  1.00000E+00 volume  3.11187E+06 ppm1      7.773 ppm2      2.064

 ASSI {  338}
   (( segid "   B" and resid 22   and name  HN  ))
   (( segid "   B" and resid 23   and name  HG1 ))
      3.115     0.623     0.623 peak   338 weight  1.00000E+00 volume  3.11187E+06 ppm1      7.773 ppm2      2.064

 ASSI {  339}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.509     0.702     0.702 peak   339 weight  1.00000E+00 volume  1.52279E+06 ppm1      8.027 ppm2      8.643

 ASSI {  339}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.509     0.702     0.702 peak   339 weight  1.00000E+00 volume  1.52279E+06 ppm1      8.027 ppm2      8.643

 ASSI {  340}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 23   and name  HA  ))
      3.424     0.685     0.685 peak   340 weight  1.00000E+00 volume  1.76400E+06 ppm1      8.029 ppm2      4.331

 ASSI {  340}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.424     0.685     0.685 peak   340 weight  1.00000E+00 volume  1.76400E+06 ppm1      8.029 ppm2      4.331

 ASSI {  341}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG2 ))
      3.525     0.705     0.705 peak   341 weight  1.00000E+00 volume  1.48145E+06 ppm1      8.027 ppm2      2.711

 ASSI {  341}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 23   and name  HG2 ))
      3.525     0.705     0.705 peak   341 weight  1.00000E+00 volume  1.48145E+06 ppm1      8.027 ppm2      2.711

 ASSI {  342}
   (( segid "   B" and resid 23   and name  HN  ))
   (( segid "   B" and resid 23   and name  HB1 ))
      2.813     0.563     0.563 peak   342 weight  1.00000E+00 volume  5.74012E+06 ppm1      8.027 ppm2      2.093

 ASSI {  342}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB1 ))
      2.813     0.563     0.563 peak   342 weight  1.00000E+00 volume  5.74012E+06 ppm1      8.027 ppm2      2.093

 ASSI {  344}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.269     0.654     0.654 peak   344 weight  1.00000E+00 volume  2.33047E+06 ppm1      8.656 ppm2      8.026

 ASSI {  344}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 23   and name  HN  ))
      3.269     0.654     0.654 peak   344 weight  1.00000E+00 volume  2.33047E+06 ppm1      8.656 ppm2      8.026

 ASSI {  345}
   (( segid "   B" and resid 25   and name  HN  ))
   (( segid "   B" and resid 24   and name  HN  ))
      3.640     0.728     0.728 peak   345 weight  1.00000E+00 volume  1.22104E+06 ppm1      8.658 ppm2      7.753

 ASSI {  345}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.640     0.728     0.728 peak   345 weight  1.00000E+00 volume  1.22104E+06 ppm1      8.658 ppm2      7.753

 ASSI {  346}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))
      3.634     0.727     0.727 peak   346 weight  1.00000E+00 volume  1.23490E+06 ppm1      8.656 ppm2      3.357

 ASSI {  346}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 24   and name  HA  ))
      3.634     0.727     0.727 peak   346 weight  1.00000E+00 volume  1.23490E+06 ppm1      8.656 ppm2      3.357

 ASSI {  348}
   (( segid "   B" and resid 24   and name  HN  ))
   (( segid "   B" and resid 24   and name  HB  ))
      2.843     0.569     0.569 peak   348 weight  1.00000E+00 volume  5.38396E+06 ppm1      8.657 ppm2      2.042

 ASSI {  348}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB  ))
      2.843     0.569     0.569 peak   348 weight  1.00000E+00 volume  5.38396E+06 ppm1      8.657 ppm2      2.042

 ASSI {  350}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 25   and name  HB# )
      4.786     0.957     0.957 peak   350 weight  1.00000E+00 volume  2.36564E+05 ppm1      8.657 ppm2      1.441

 ASSI {  350}
   (( segid "   B" and resid 24   and name  HN  ))
   (  segid "   B" and resid 25   and name  HB# )
      4.786     0.957     0.957 peak   350 weight  1.00000E+00 volume  2.36564E+05 ppm1      8.657 ppm2      1.441

 ASSI {  351}
   (( segid "   B" and resid 25   and name  HN  ))
   (  segid "   B" and resid 25   and name  HB# )
      2.843     0.569     0.569 peak   351 weight  1.00000E+00 volume  5.38403E+06 ppm1      7.763 ppm2      1.437

 ASSI {  351}
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 25   and name  HB# )
      2.843     0.569     0.569 peak   351 weight  1.00000E+00 volume  5.38403E+06 ppm1      7.763 ppm2      1.437

 ASSI {  353}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))
      2.987     0.597     0.597 peak   353 weight  1.00000E+00 volume  3.99754E+06 ppm1      8.411 ppm2      7.865

 ASSI {  353}
   (( segid "   B" and resid 26   and name  HN  ))
   (( segid "   B" and resid 27   and name  HN  ))
      2.987     0.597     0.597 peak   353 weight  1.00000E+00 volume  3.99754E+06 ppm1      8.411 ppm2      7.865

 ASSI {  354}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.174     0.635     0.635 peak   354 weight  1.00000E+00 volume  2.78133E+06 ppm1      8.413 ppm2      4.019

 ASSI {  354}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HA  ))
      3.174     0.635     0.635 peak   354 weight  1.00000E+00 volume  2.78133E+06 ppm1      8.413 ppm2      4.019

 ASSI {  355}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB2 ))
      2.823     0.565     0.565 peak   355 weight  1.00000E+00 volume  5.61204E+06 ppm1      8.414 ppm2      1.972

 ASSI {  355}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      2.823     0.565     0.565 peak   355 weight  1.00000E+00 volume  5.61204E+06 ppm1      8.414 ppm2      1.972

 ASSI {  356}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      3.522     0.704     0.704 peak   356 weight  1.00000E+00 volume  1.48814E+06 ppm1      8.407 ppm2      1.242

 ASSI {  356}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      3.522     0.704     0.704 peak   356 weight  1.00000E+00 volume  1.48814E+06 ppm1      8.407 ppm2      1.242

 ASSI {  357}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HG  ))
      3.131     0.626     0.626 peak   357 weight  1.00000E+00 volume  3.01925E+06 ppm1      8.411 ppm2      1.635

 ASSI {  357}
   (( segid "   B" and resid 27   and name  HN  ))
   (( segid "   B" and resid 27   and name  HG  ))
      3.131     0.626     0.626 peak   357 weight  1.00000E+00 volume  3.01925E+06 ppm1      8.411 ppm2      1.635

 ASSI {  358}
   (( segid "   B" and resid 27   and name  HN  ))
   (  segid "   B" and resid 27   and name  HD1#)
      2.892     0.578     0.578 peak   358 weight  1.00000E+00 volume  4.85434E+06 ppm1      8.414 ppm2      0.804

 ASSI {  358}
   (( segid "   A" and resid 27   and name  HN  ))
   (  segid "   A" and resid 27   and name  HD1#)
      2.892     0.578     0.578 peak   358 weight  1.00000E+00 volume  4.85434E+06 ppm1      8.414 ppm2      0.804

! ASSI {  359}
!   (( segid "   A" and resid 28   and name  HN  ))
!   (( segid "   A" and resid 27   and name  HN  ))
!      4.463     0.893     0.893 peak   359 weight  1.00000E+00 volume  3.59440E+05 ppm1      8.406 ppm2      8.881

 ASSI {  360}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))
      4.089     0.818     0.818 peak   360 weight  1.00000E+00 volume  6.07743E+05 ppm1      8.892 ppm2      8.408

 ASSI {  360}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 27   and name  HN  ))
      4.089     0.818     0.818 peak   360 weight  1.00000E+00 volume  6.07743E+05 ppm1      8.892 ppm2      8.408

 ASSI {  361}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 28   and name  HA  ))
      3.376     0.675     0.675 peak   361 weight  1.00000E+00 volume  1.91899E+06 ppm1      8.894 ppm2      3.815

 ASSI {  361}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.376     0.675     0.675 peak   361 weight  1.00000E+00 volume  1.91899E+06 ppm1      8.894 ppm2      3.815

 ASSI {  362}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HG2 ))
      2.800     0.560     0.560 peak   362 weight  1.00000E+00 volume  5.90062E+06 ppm1      8.892 ppm2      1.716

 ASSI {  362}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 28   and name  HG2 ))
      2.800     0.560     0.560 peak   362 weight  1.00000E+00 volume  5.90062E+06 ppm1      8.892 ppm2      1.716

 ASSI {  363}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 28   and name  HG1 ))
      3.585     0.717     0.717 peak   363 weight  1.00000E+00 volume  1.33940E+06 ppm1      8.892 ppm2      1.227

 ASSI {  363}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HG1 ))
      3.585     0.717     0.717 peak   363 weight  1.00000E+00 volume  1.33940E+06 ppm1      8.892 ppm2      1.227

 ASSI {  364}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HD2 ))
      3.360     0.672     0.672 peak   364 weight  1.00000E+00 volume  1.97355E+06 ppm1      8.891 ppm2      0.785

 ASSI {  364}
   (( segid "   B" and resid 28   and name  HN  ))
   (( segid "   B" and resid 28   and name  HD2 ))
      3.360     0.672     0.672 peak   364 weight  1.00000E+00 volume  1.97355E+06 ppm1      8.891 ppm2      0.785

 ASSI {  365}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HD2 ))
      4.472     0.894     0.894 peak   365 weight  1.00000E+00 volume  3.55539E+05 ppm1      7.286 ppm2      0.817

 ASSI {  365}
   (( segid "   B" and resid 29   and name  HN  ))
   (( segid "   B" and resid 29   and name  HD2 ))
      4.472     0.894     0.894 peak   365 weight  1.00000E+00 volume  3.55539E+05 ppm1      7.286 ppm2      0.817

 ASSI {  366}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HN  ))
      2.950     0.590     0.590 peak   366 weight  1.00000E+00 volume  4.30916E+06 ppm1      7.514 ppm2      7.662

 ASSI {  366}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 30   and name  HN  ))
      2.950     0.590     0.590 peak   366 weight  1.00000E+00 volume  4.30916E+06 ppm1      7.514 ppm2      7.662

 ASSI {  367}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HA  ))
      3.116     0.623     0.623 peak   367 weight  1.00000E+00 volume  3.10430E+06 ppm1      7.513 ppm2      4.164

 ASSI {  367}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))
      3.116     0.623     0.623 peak   367 weight  1.00000E+00 volume  3.10430E+06 ppm1      7.513 ppm2      4.164

 ASSI {  368}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      3.098     0.620     0.620 peak   368 weight  1.00000E+00 volume  3.21281E+06 ppm1      7.515 ppm2      1.972

 ASSI {  368}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      3.098     0.620     0.620 peak   368 weight  1.00000E+00 volume  3.21281E+06 ppm1      7.515 ppm2      1.972

 ASSI {  369}
   (( segid "   B" and resid 30   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      3.092     0.618     0.618 peak   369 weight  1.00000E+00 volume  3.25096E+06 ppm1      7.513 ppm2      1.636

 ASSI {  369}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      3.092     0.618     0.618 peak   369 weight  1.00000E+00 volume  3.25096E+06 ppm1      7.513 ppm2      1.636

 ASSI {  370}
   (( segid "   B" and resid 30   and name  HN  ))
   (  segid "   B" and resid 30   and name  HD1#)
      3.340     0.668     0.668 peak   370 weight  1.00000E+00 volume  2.04698E+06 ppm1      7.514 ppm2      0.817

 ASSI {  370}
   (( segid "   A" and resid 30   and name  HN  ))
   (  segid "   A" and resid 30   and name  HD1#)
      3.340     0.668     0.668 peak   370 weight  1.00000E+00 volume  2.04698E+06 ppm1      7.514 ppm2      0.817

 ASSI {  371}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))
      3.047     0.609     0.609 peak   371 weight  1.00000E+00 volume  3.55177E+06 ppm1      7.670 ppm2      4.176

 ASSI {  371}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 31   and name  HA  ))
      3.047     0.609     0.609 peak   371 weight  1.00000E+00 volume  3.55177E+06 ppm1      7.670 ppm2      4.176

 ASSI {  372}
   (( segid "   A" and resid 31   and name  HN  ))
   (  segid "   A" and resid 31   and name  HG1#)
      2.782     0.556     0.556 peak   372 weight  1.00000E+00 volume  6.13019E+06 ppm1      7.670 ppm2      0.866

 ASSI {  372}
   (( segid "   B" and resid 31   and name  HN  ))
   (  segid "   B" and resid 31   and name  HG1#)
      2.782     0.556     0.556 peak   372 weight  1.00000E+00 volume  6.13019E+06 ppm1      7.670 ppm2      0.866

 ASSI {  373}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HB  ))
      3.469     0.694     0.694 peak   373 weight  1.00000E+00 volume  1.63041E+06 ppm1      7.671 ppm2      2.246

 ASSI {  373}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 31   and name  HB  ))
      3.469     0.694     0.694 peak   373 weight  1.00000E+00 volume  1.63041E+06 ppm1      7.671 ppm2      2.246

 ASSI {  374}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      3.776     0.755     0.755 peak   374 weight  1.00000E+00 volume  9.80052E+05 ppm1      7.668 ppm2      1.941

 ASSI {  374}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      3.776     0.755     0.755 peak   374 weight  1.00000E+00 volume  9.80052E+05 ppm1      7.668 ppm2      1.941

 ASSI {  375}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))
      3.715     0.743     0.743 peak   375 weight  1.00000E+00 volume  1.08148E+06 ppm1      7.668 ppm2      1.628

 ASSI {  375}
   (( segid "   B" and resid 31   and name  HN  ))
   (( segid "   B" and resid 30   and name  HB2 ))
      3.715     0.743     0.743 peak   375 weight  1.00000E+00 volume  1.08148E+06 ppm1      7.668 ppm2      1.628

 ASSI {  121}
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 32   and name  HA2 ))
      2.773     0.555     0.555 peak   121 weight  1.00000E+00 volume  1.41461E+05 ppm1      7.849 ppm2      3.901

 ASSI {  121}
   (( segid "   B" and resid 32   and name  HN  ))
   (( segid "   B" and resid 32   and name  HA2 ))
      2.773     0.555     0.555 peak   121 weight  1.00000E+00 volume  1.41461E+05 ppm1      7.849 ppm2      3.901

 ASSI {  167}
   (( segid "   A" and resid 11   and name  HB1 ))
   (( segid "   A" and resid 15   and name  HN  ))
      5.068     1.014     1.014 peak   167 weight  1.00000E+00 volume  5.04793E+04 ppm1      2.179 ppm2      7.811

 ASSI {  167}
   (( segid "   B" and resid 11   and name  HB1 ))
   (( segid "   B" and resid 15   and name  HN  ))
      5.068     1.014     1.014 peak   167 weight  1.00000E+00 volume  5.04793E+04 ppm1      2.179 ppm2      7.811
!22HN

 ASSI {  282}
   (( segid "   B" and resid 29   and name  HB2 ))
   (( segid "   B" and resid 29   and name  HG1 ))
      3.178     0.636     0.636 peak   282 weight  1.00000E+00 volume  2.71255E+05 ppm1      1.561 ppm2      1.675

 ASSI {  282}
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HG1 ))
      3.178     0.636     0.636 peak   282 weight  1.00000E+00 volume  2.71255E+05 ppm1      1.561 ppm2      1.675
!9HB1

 ASSI {  321}
   (  segid "   B" and resid 30   and name  HD2#)
   (( segid "   B" and resid 29   and name  HN  ))
      3.844     0.769     0.769 peak   321 weight  1.00000E+00 volume  5.46116E+04 ppm1      0.880 ppm2      7.263

 ASSI {  321}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 29   and name  HN  ))
      3.844     0.769     0.769 peak   321 weight  1.00000E+00 volume  5.46116E+04 ppm1      0.880 ppm2      7.263

 ASSI {  210}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      5.063     1.013     1.013 peak   210 weight  1.00000E+00 volume  4.38016E+04 ppm1      4.004 ppm2      7.809

 ASSI {  210}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 15   and name  HN  ))
      5.063     1.013     1.013 peak   210 weight  1.00000E+00 volume  4.38016E+04 ppm1      4.004 ppm2      7.809

! ASSI {  337}
!   (( segid "   B" and resid 11   and name  HB1 ))
!   (( segid "   B" and resid 28   and name  HD1 ))
!      4.186     0.837     0.837 peak   337 weight  1.00000E+00 volume  5.98486E+04 ppm1      0.876 ppm2      2.153

 ASSI {   73}
   (( segid "   A" and resid 18   and name  HB1 ))
   (( segid "   A" and resid 18   and name  HA  ))
      3.969     0.794     0.794 peak    73 weight  1.00000E+00 volume  7.70668E+04 ppm1      4.368 ppm2      3.211

 ASSI {   73}
   (( segid "   B" and resid 18   and name  HB1 ))
   (( segid "   B" and resid 18   and name  HA  ))
      3.969     0.794     0.794 peak    73 weight  1.00000E+00 volume  7.70668E+04 ppm1      4.368 ppm2      3.211

 ASSI {  118}
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 3    and name  HA  ))
      3.312     0.662     0.662 peak   118 weight  1.00000E+00 volume  2.31064E+05 ppm1      4.183 ppm2      2.100

 ASSI {  118}
   (( segid "   B" and resid 3    and name  HB2 ))
   (( segid "   B" and resid 3    and name  HA  ))
      3.312     0.662     0.662 peak   118 weight  1.00000E+00 volume  2.31064E+05 ppm1      4.183 ppm2      2.100
!29HA

 ASSI {  199}
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HA  ))
      4.715     0.943     0.943 peak   199 weight  1.00000E+00 volume  3.89875E+04 ppm1      1.213 ppm2      4.068

 ASSI {  199}
   (( segid "   B" and resid 13   and name  HB2 ))
   (( segid "   B" and resid 14   and name  HA  ))
      4.715     0.943     0.943 peak   199 weight  1.00000E+00 volume  3.89875E+04 ppm1      1.213 ppm2      4.068

! ASSI {  179}
!   (( segid "   A" and resid 16   and name  HB1 ))
!   (( segid "   A" and resid 17   and name  HB1 ))
!      4.310     0.862     0.862 peak   179 weight  1.00000E+00 volume  4.04574E+04 ppm1      1.757 ppm2      2.725


 ASSI {   91}
   (( segid "   B" and resid 13   and name  HA  ))
   (  segid "   B" and resid 13   and name  HD2#)
      3.163     0.633     0.633 peak    91 weight  1.00000E+00 volume  3.75499E+05 ppm1      3.990 ppm2      0.831

 ASSI {   91}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD2#)
      3.163     0.633     0.633 peak    91 weight  1.00000E+00 volume  3.75499E+05 ppm1      3.990 ppm2      0.831

 ASSI {  349}
   (( segid "   A" and resid 26   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HD2 ))
      4.165     0.833     0.833 peak   349 weight  1.00000E+00 volume  5.65499E+04 ppm1      2.189 ppm2      3.073

 ASSI {  349}
   (( segid "   B" and resid 26   and name  HG2 ))
   (( segid "   B" and resid 26   and name  HD2 ))
      4.165     0.833     0.833 peak   349 weight  1.00000E+00 volume  5.65499E+04 ppm1      2.189 ppm2      3.073
!11HB1

 ASSI {  248}
   (( segid "   A" and resid 27   and name  HG  ))
   (( segid "   B" and resid 27   and name  HB1 ))
      4.280     0.856     0.856 peak   248 weight  1.00000E+00 volume  2.14795E+04 ppm1      1.981 ppm2      1.620

 ASSI {  248}
   (( segid "   B" and resid 27   and name  HG  ))
   (( segid "   A" and resid 27   and name  HB1 ))
      4.280     0.856     0.856 peak   248 weight  1.00000E+00 volume  2.14795E+04 ppm1      1.981 ppm2      1.620

! ASSI {   70}
!   (( segid "   A" and resid 19   and name  HA  ))
!   (( segid "   A" and resid 16   and name  HN  ))
!      5.355     1.071     1.071 peak    70 weight  1.00000E+00 volume  1.38361E+04 ppm1      4.342 ppm2      8.317

 ASSI {  213}
   (( segid "   B" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HA  ))
      4.607     0.921     0.921 peak   213 weight  1.00000E+00 volume  6.05607E+04 ppm1      3.396 ppm2      1.243

 ASSI {  213}
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   B" and resid 10   and name  HA  ))
      4.607     0.921     0.921 peak   213 weight  1.00000E+00 volume  6.05607E+04 ppm1      3.396 ppm2      1.243

 ASSI {  129}
   (( segid "   B" and resid 21   and name  HA  ))
   (( segid "   B" and resid 20   and name  HB1 ))
      4.359     0.872     0.872 peak   129 weight  1.00000E+00 volume  5.96675E+04 ppm1      3.983 ppm2      1.231

 ASSI {  129}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB1 ))
      4.359     0.872     0.872 peak   129 weight  1.00000E+00 volume  5.96675E+04 ppm1      3.983 ppm2      1.231
!13HA

 ASSI {  197}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      4.371     0.874     0.874 peak   197 weight  1.00000E+00 volume  3.68501E+04 ppm1      4.016 ppm2      1.439

 ASSI {  197}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 14   and name  HB2 ))
      4.371     0.874     0.874 peak   197 weight  1.00000E+00 volume  3.68501E+04 ppm1      4.016 ppm2      1.439
!13HA

 ASSI {  162}
   (  segid "   B" and resid 25   and name  HB# )
   (( segid "   B" and resid 22   and name  HA  ))
      4.352     0.870     0.870 peak   162 weight  1.00000E+00 volume  9.19978E+04 ppm1      4.423 ppm2      1.434

 ASSI {  162}
   (  segid "   A" and resid 25   and name  HB# )
   (( segid "   A" and resid 22   and name  HA  ))
      4.352     0.870     0.870 peak   162 weight  1.00000E+00 volume  9.19978E+04 ppm1      4.423 ppm2      1.434

 ASSI {  281}
   (( segid "   B" and resid 29   and name  HB1 ))
   (( segid "   B" and resid 29   and name  HG1 ))
      3.511     0.702     0.702 peak   281 weight  1.00000E+00 volume  1.12689E+05 ppm1      1.564 ppm2      2.004

 ASSI {  281}
   (( segid "   A" and resid 29   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HG1 ))
      3.511     0.702     0.702 peak   281 weight  1.00000E+00 volume  1.12689E+05 ppm1      1.564 ppm2      2.004
!9HB2

! ASSI {  260}
!   (( segid "   A" and resid 3    and name  HB2 ))
!   (( segid "   A" and resid 4    and name  HD2 ))
!      3.498     0.700     0.700 peak   260 weight  1.00000E+00 volume  1.21811E+05 ppm1      2.096 ppm2      0.888

 ASSI {  102}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.966     0.793     0.793 peak   102 weight  1.00000E+00 volume  5.58815E+04 ppm1      2.099 ppm2      3.993

 ASSI {  102}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 11   and name  HA  ))
      3.966     0.793     0.793 peak   102 weight  1.00000E+00 volume  5.58815E+04 ppm1      2.099 ppm2      3.993

 ASSI {  165}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB1 ))
      4.344     0.869     0.869 peak   165 weight  1.00000E+00 volume  5.67542E+04 ppm1      2.816 ppm2      4.347

 ASSI {  165}
   (( segid "   B" and resid 23   and name  HA  ))
   (( segid "   B" and resid 22   and name  HB1 ))
      4.344     0.869     0.869 peak   165 weight  1.00000E+00 volume  5.67542E+04 ppm1      2.816 ppm2      4.347

! ASSI {   49}
!   (( segid "   A" and resid 24   and name  HB  ))
!   (( segid "   A" and resid 24   and name  HA  ))
!      3.983     0.797     0.797 peak    49 weight  1.00000E+00 volume  8.60219E+04 ppm1      3.391 ppm2      2.055
!10HA

!ASSI {  269}
!   (( segid "   A" and resid 4    and name  HE1 ))
!   (( segid "   A" and resid 9    and name  HE2 ))
!      4.033     0.807     0.807 peak   269 weight  1.00000E+00 volume  1.20071E+05 ppm1      3.359 ppm2      3.063

 ASSI {   65}
   (( segid "   B" and resid 21   and name  HG2 ))
   (( segid "   B" and resid 20   and name  HA  ))
      4.671     0.934     0.934 peak    65 weight  1.00000E+00 volume  3.80182E+04 ppm1      4.002 ppm2      2.441

 ASSI {   65}
   (( segid "   A" and resid 21   and name  HG2 ))
   (( segid "   A" and resid 20   and name  HA  ))
      4.671     0.934     0.934 peak    65 weight  1.00000E+00 volume  3.80182E+04 ppm1      4.002 ppm2      2.441
!21HA

 ASSI {  311}
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HA  ))
      3.886     0.777     0.777 peak   311 weight  1.00000E+00 volume  7.26880E+04 ppm1      1.747 ppm2      4.162

 ASSI {  311}
   (( segid "   B" and resid 5    and name  HB1 ))
   (( segid "   B" and resid 6    and name  HA  ))
      3.886     0.777     0.777 peak   311 weight  1.00000E+00 volume  7.26880E+04 ppm1      1.747 ppm2      4.162

 ASSI {   52}
   (( segid "   A" and resid 24   and name  HB  ))
   (  segid "   A" and resid 24   and name  HG2#)
      3.203     0.641     0.641 peak    52 weight  1.00000E+00 volume  2.01547E+05 ppm1      0.898 ppm2      2.006

 ASSI {   52}
   (( segid "   B" and resid 24   and name  HB  ))
   (  segid "   B" and resid 24   and name  HG2#)
      3.203     0.641     0.641 peak    52 weight  1.00000E+00 volume  2.01547E+05 ppm1      0.898 ppm2      2.006
!10HG2#

 ASSI {   30}
   (( segid "   B" and resid 27   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HB1 ))
      4.224     0.845     0.845 peak    30 weight  1.00000E+00 volume  6.58705E+04 ppm1      1.973 ppm2      1.255

 ASSI {   30}
   (( segid "   A" and resid 27   and name  HB2 ))
   (( segid "   B" and resid 27   and name  HB1 ))
      4.224     0.845     0.845 peak    30 weight  1.00000E+00 volume  6.58705E+04 ppm1      1.973 ppm2      1.255

 ASSI {    2}
   (( segid "   B" and resid 32   and name  HA1 ))
   (( segid "   B" and resid 28   and name  HA  ))
      4.815     0.963     0.963 peak     2 weight  1.00000E+00 volume  1.39852E+05 ppm1      4.074 ppm2      3.840

 ASSI {    2}
   (( segid "   A" and resid 32   and name  HA1 ))
   (( segid "   A" and resid 28   and name  HA  ))
      4.815     0.963     0.963 peak     2 weight  1.00000E+00 volume  1.39852E+05 ppm1      4.074 ppm2      3.840

 ASSI {  220}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 13   and name  HN  ))
      4.994     0.999     0.999 peak   220 weight  1.00000E+00 volume  2.59034E+04 ppm1      4.179 ppm2      8.625

 ASSI {  220}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 13   and name  HN  ))
      4.994     0.999     0.999 peak   220 weight  1.00000E+00 volume  2.59034E+04 ppm1      4.179 ppm2      8.625
!29HA

 ASSI {  300}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HG1 ))
      2.637     0.527     0.527 peak   300 weight  1.00000E+00 volume  5.00650E+05 ppm1      2.188 ppm2      2.113

 ASSI {  300}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 11   and name  HG1 ))
      2.637     0.527     0.527 peak   300 weight  1.00000E+00 volume  5.00650E+05 ppm1      2.188 ppm2      2.113
!12HB2

! ASSI {   11}
!   (( segid "   B" and resid 30   and name  HG  ))
!   (( segid "   B" and resid 33   and name  HA  ))
!      4.153     0.831     0.831 peak    11 weight  1.00000E+00 volume  9.94998E+04 ppm1      4.217 ppm2      2.070
!30HA

 ASSI {  266}
   (( segid "   A" and resid 16   and name  HB1 ))
   (  segid "   A" and resid 13   and name  HD23)
      3.385     0.677     0.677 peak   266 weight  1.00000E+00 volume  1.11693E+05 ppm1      1.751 ppm2      0.803

 ASSI {  266}
   (( segid "   B" and resid 16   and name  HB1 ))
   (  segid "   B" and resid 13   and name  HD23)
      3.385     0.677     0.677 peak   266 weight  1.00000E+00 volume  1.11693E+05 ppm1      1.751 ppm2      0.803
!5HB1

 ASSI {   56}
   (( segid "   B" and resid 23   and name  HG2 ))
   (( segid "   B" and resid 23   and name  HA  ))
      3.974     0.795     0.795 peak    56 weight  1.00000E+00 volume  8.93773E+04 ppm1      4.300 ppm2      2.078

 ASSI {   56}
   (( segid "   A" and resid 23   and name  HG2 ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.974     0.795     0.795 peak    56 weight  1.00000E+00 volume  8.93773E+04 ppm1      4.300 ppm2      2.078
!23HB2

 ASSI {  219}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 12   and name  HB2 ))
      3.432     0.686     0.686 peak   219 weight  1.00000E+00 volume  1.78547E+05 ppm1      4.190 ppm2      2.126

 ASSI {  219}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 12   and name  HB2 ))
      3.432     0.686     0.686 peak   219 weight  1.00000E+00 volume  1.78547E+05 ppm1      4.190 ppm2      2.126
!29HA

! ASSI {  170}
!   (( segid "   A" and resid 13   and name  HB2 ))
!   (  segid "   A" and resid 13   and name  HD1#)
!      3.969     0.794     0.794 peak   170 weight  1.00000E+00 volume  7.24454E+04 ppm1      1.258 ppm2      0.831
!10HG2#

 ASSI {   59}
   (( segid "   B" and resid 22   and name  HB2 ))
   (( segid "   B" and resid 22   and name  HA  ))
      4.001     0.800     0.800 peak    59 weight  1.00000E+00 volume  1.19288E+05 ppm1      4.423 ppm2      2.706

 ASSI {   59}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HA  ))
      4.001     0.800     0.800 peak    59 weight  1.00000E+00 volume  1.19288E+05 ppm1      4.423 ppm2      2.706

 ASSI {   68}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      3.934     0.787     0.787 peak    68 weight  1.00000E+00 volume  8.57483E+04 ppm1      4.353 ppm2      3.437

 ASSI {   68}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      3.934     0.787     0.787 peak    68 weight  1.00000E+00 volume  8.57483E+04 ppm1      4.353 ppm2      3.437

 ASSI {   36}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 27   and name  HD1#)
      3.163     0.633     0.633 peak    36 weight  1.00000E+00 volume  3.75499E+05 ppm1      3.992 ppm2      0.790

 ASSI {   36}
   (( segid "   B" and resid 27   and name  HA  ))
   (  segid "   B" and resid 27   and name  HD1#)
      3.163     0.633     0.633 peak    36 weight  1.00000E+00 volume  3.75499E+05 ppm1      3.992 ppm2      0.790
!13HA, HD2#

 ASSI {  344}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HG  ))
      3.538     0.708     0.708 peak   344 weight  1.00000E+00 volume  9.58952E+03 ppm1      1.758 ppm2      1.426

 ASSI {  344}
   (( segid "   B" and resid 6    and name  HB2 ))
   (( segid "   B" and resid 6    and name  HG  ))
      3.538     0.708     0.708 peak   344 weight  1.00000E+00 volume  9.58952E+03 ppm1      1.758 ppm2      1.426

 ASSI {   83}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.909     0.782     0.782 peak    83 weight  1.00000E+00 volume  6.10162E+04 ppm1      1.751 ppm2      4.172

 ASSI {   83}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HA  ))
      3.909     0.782     0.782 peak    83 weight  1.00000E+00 volume  6.10162E+04 ppm1      1.751 ppm2      4.172

 ASSI {  246}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 18   and name  HB2 ))
      3.536     0.707     0.707 peak   246 weight  1.00000E+00 volume  1.63855E+05 ppm1      3.261 ppm2      3.166

 ASSI {  246}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 18   and name  HB2 ))
      3.536     0.707     0.707 peak   246 weight  1.00000E+00 volume  1.63855E+05 ppm1      3.261 ppm2      3.166
!18HB1

 ASSI {   39}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.759     0.752     0.752 peak    39 weight  1.00000E+00 volume  1.17937E+05 ppm1      3.986 ppm2      1.892

 ASSI {   39}
   (( segid "   B" and resid 26   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HA  ))
      3.759     0.752     0.752 peak    39 weight  1.00000E+00 volume  1.17937E+05 ppm1      3.986 ppm2      1.892
!11HA

 ASSI {   25}
   (( segid "   B" and resid 28   and name  HA  ))
   (( segid "   B" and resid 28   and name  HG1 ))
      3.765     0.753     0.753 peak    25 weight  1.00000E+00 volume  1.75834E+05 ppm1      3.802 ppm2      1.700

 ASSI {   25}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 28   and name  HG1 ))
      3.765     0.753     0.753 peak    25 weight  1.00000E+00 volume  1.75834E+05 ppm1      3.802 ppm2      1.700

 ASSI {  211}
   (( segid "   A" and resid 11   and name  HG1 ))
   (( segid "   A" and resid 12   and name  HN  ))
      4.889     0.978     0.978 peak   211 weight  1.00000E+00 volume  2.29213E+04 ppm1      2.104 ppm2      8.263

 ASSI {  211}
   (( segid "   B" and resid 11   and name  HG1 ))
   (( segid "   B" and resid 12   and name  HN  ))
      4.889     0.978     0.978 peak   211 weight  1.00000E+00 volume  2.29213E+04 ppm1      2.104 ppm2      8.263
!11HB2

! ASSI {   32}
!   (( segid "   B" and resid 2    and name  HB1 ))
!   (( segid "   B" and resid 6    and name  HB2 ))
!      4.750     0.950     0.950 peak    32 weight  1.00000E+00 volume  3.13278E+04 ppm1      1.246 ppm2      3.928
!27HB2

 ASSI {   85}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HE1 ))
      4.947     0.989     0.989 peak    85 weight  1.00000E+00 volume  3.30385E+04 ppm1      1.752 ppm2      3.007

 ASSI {   85}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HE1 ))
      4.947     0.989     0.989 peak    85 weight  1.00000E+00 volume  3.30385E+04 ppm1      1.752 ppm2      3.007

 ASSI {   14}
   (( segid "   B" and resid 29   and name  HG1 ))
   (( segid "   B" and resid 29   and name  HA  ))
      4.142     0.828     0.828 peak    14 weight  1.00000E+00 volume  3.82784E+04 ppm1      4.168 ppm2      1.682

 ASSI {   14}
   (( segid "   A" and resid 29   and name  HG1 ))
   (( segid "   A" and resid 29   and name  HA  ))
      4.142     0.828     0.828 peak    14 weight  1.00000E+00 volume  3.82784E+04 ppm1      4.168 ppm2      1.682
!16HB1

 ASSI {  253}
   (( segid "   A" and resid 29   and name  HE1 ))
   (( segid "   A" and resid 29   and name  HD1 ))
      3.944     0.789     0.789 peak   253 weight  1.00000E+00 volume  8.20224E+04 ppm1      2.869 ppm2      0.809

 ASSI {  253}
   (( segid "   B" and resid 29   and name  HE1 ))
   (( segid "   B" and resid 29   and name  HD1 ))
      3.944     0.789     0.789 peak   253 weight  1.00000E+00 volume  8.20224E+04 ppm1      2.869 ppm2      0.809

 ASSI {  150}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 14   and name  HG  ))
      3.889     0.778     0.778 peak   150 weight  1.00000E+00 volume  5.84015E+04 ppm1      3.996 ppm2      1.738

 ASSI {  150}
   (( segid "   B" and resid 15   and name  HA  ))
   (( segid "   B" and resid 14   and name  HG  ))
      3.889     0.778     0.778 peak   150 weight  1.00000E+00 volume  5.84015E+04 ppm1      3.996 ppm2      1.738
!25HA

 ASSI {   97}
   (( segid "   B" and resid 12   and name  HB2 ))
   (( segid "   B" and resid 12   and name  HA  ))
      3.983     0.797     0.797 peak    97 weight  1.00000E+00 volume  6.41621E+04 ppm1      2.165 ppm2      4.094

 ASSI {   97}
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.983     0.797     0.797 peak    97 weight  1.00000E+00 volume  6.41621E+04 ppm1      2.165 ppm2      4.094

 ASSI {    8}
   (( segid "   B" and resid 31   and name  HB  ))
   (  segid "   B" and resid 31   and name  HG2#)
      3.214     0.643     0.643 peak     8 weight  1.00000E+00 volume  2.71855E+05 ppm1      2.269 ppm2      0.877

 ASSI {    8}
   (( segid "   A" and resid 31   and name  HB  ))
   (  segid "   A" and resid 31   and name  HG2#)
      3.214     0.643     0.643 peak     8 weight  1.00000E+00 volume  2.71855E+05 ppm1      2.269 ppm2      0.877

 ASSI {  286}
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 7    and name  HA  ))
      3.483     0.697     0.697 peak   286 weight  1.00000E+00 volume  1.28807E+05 ppm1      3.924 ppm2      2.033

 ASSI {  286}
   (( segid "   B" and resid 7    and name  HG2 ))
   (( segid "   B" and resid 7    and name  HA  ))
      3.483     0.697     0.697 peak   286 weight  1.00000E+00 volume  1.28807E+05 ppm1      3.924 ppm2      2.033
!11HB2

 ASSI {  103}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 11   and name  HA  ))
      3.522     0.704     0.704 peak   103 weight  1.00000E+00 volume  2.73502E+04 ppm1      4.015 ppm2      2.065

 ASSI {  103}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.522     0.704     0.704 peak   103 weight  1.00000E+00 volume  2.73502E+04 ppm1      4.015 ppm2      2.065

 ASSI {  287}
   (( segid "   B" and resid 7    and name  HA  ))
   (( segid "   B" and resid 7    and name  HG1 ))
      3.941     0.788     0.788 peak   287 weight  1.00000E+00 volume  8.61740E+04 ppm1      3.920 ppm2      2.499

 ASSI {  287}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HG1 ))
      3.941     0.788     0.788 peak   287 weight  1.00000E+00 volume  8.61740E+04 ppm1      3.920 ppm2      2.499

 ASSI {  214}
   (  segid "   B" and resid 10   and name  HG2#)
   (( segid "   B" and resid 10   and name  HB  ))
      3.301     0.660     0.660 peak   214 weight  1.00000E+00 volume  1.72092E+05 ppm1      2.269 ppm2      0.880

 ASSI {  214}
   (  segid "   A" and resid 10   and name  HG2#)
   (( segid "   A" and resid 10   and name  HB  ))
      3.301     0.660     0.660 peak   214 weight  1.00000E+00 volume  1.72092E+05 ppm1      2.269 ppm2      0.880

! ASSI {  229}
!   (( segid "   B" and resid 16   and name  HB1 ))
!   (( segid "   A" and resid 30   and name  HB2 ))
!      3.919     0.784     0.784 peak   229 weight  1.00000E+00 volume  7.57129E+04 ppm1      2.013 ppm2      1.699

 ASSI {  320}
   (  segid "   B" and resid 30   and name  HD2#)
   (( segid "   B" and resid 31   and name  HN  ))
      3.711     0.742     0.742 peak   320 weight  1.00000E+00 volume  4.93231E+04 ppm1      0.873 ppm2      7.634

 ASSI {  320}
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 31   and name  HN  ))
      3.711     0.742     0.742 peak   320 weight  1.00000E+00 volume  4.93231E+04 ppm1      0.873 ppm2      7.634

 ASSI {  205}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.165     0.633     0.633 peak   205 weight  1.00000E+00 volume  1.22006E+05 ppm1      2.193 ppm2      2.385

 ASSI {  205}
   (( segid "   B" and resid 12   and name  HB1 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.165     0.633     0.633 peak   205 weight  1.00000E+00 volume  1.22006E+05 ppm1      2.193 ppm2      2.385

 ASSI {   98}
   (( segid "   B" and resid 12   and name  HB2 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.702     0.740     0.740 peak    98 weight  1.00000E+00 volume  5.23730E+04 ppm1      2.552 ppm2      2.153

 ASSI {   98}
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.702     0.740     0.740 peak    98 weight  1.00000E+00 volume  5.23730E+04 ppm1      2.552 ppm2      2.153

 ASSI {   50}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HG2#)
      3.875     0.775     0.775 peak    50 weight  1.00000E+00 volume  -6.05793E+03 ppm1      0.895 ppm2      3.343

 ASSI {   50}
   (( segid "   B" and resid 24   and name  HA  ))
   (  segid "   B" and resid 24   and name  HG2#)
      3.875     0.775     0.775 peak    50 weight  1.00000E+00 volume  -6.05793E+03 ppm1      0.895 ppm2      3.343
!10HG2#

 ASSI {  152}
   (( segid "   A" and resid 27   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HA  ))
      4.607     0.921     0.921 peak   152 weight  1.00000E+00 volume  6.05607E+04 ppm1      3.393 ppm2      1.246

 ASSI {  152}
   (( segid "   B" and resid 27   and name  HB2 ))
   (( segid "   B" and resid 24   and name  HA  ))
      4.607     0.921     0.921 peak   152 weight  1.00000E+00 volume  6.05607E+04 ppm1      3.393 ppm2      1.246
!10HA

 ASSI {  285}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.474     0.695     0.695 peak   285 weight  1.00000E+00 volume  1.65306E+05 ppm1      3.917 ppm2      2.237

 ASSI {  285}
   (( segid "   B" and resid 7    and name  HA  ))
   (( segid "   B" and resid 7    and name  HB2 ))
      3.474     0.695     0.695 peak   285 weight  1.00000E+00 volume  1.65306E+05 ppm1      3.917 ppm2      2.237

 ASSI {  265}
   (( segid "   A" and resid 5    and name  HG1 ))
   (( segid "   A" and resid 5    and name  HB1 ))
      3.222     0.644     0.644 peak   265 weight  1.00000E+00 volume  1.75406E+05 ppm1      1.751 ppm2      2.058

 ASSI {  265}
   (( segid "   B" and resid 5    and name  HG1 ))
   (( segid "   B" and resid 5    and name  HB1 ))
      3.222     0.644     0.644 peak   265 weight  1.00000E+00 volume  1.75406E+05 ppm1      1.751 ppm2      2.058

 ASSI {    3}
   (( segid "   B" and resid 32   and name  HA2 ))
   (( segid "   B" and resid 29   and name  HA ))
      3.193     0.639     0.639 peak     3 weight  1.00000E+00 volume  3.61861E+05 ppm1      3.875 ppm2      4.093

 ASSI {    3}
   (( segid "   A" and resid 32   and name  HA2 ))
   (( segid "   A" and resid 29   and name  HA ))
      3.193     0.639     0.639 peak     3 weight  1.00000E+00 volume  3.61861E+05 ppm1      3.875 ppm2      4.093
!32HA2

 ASSI {   33}
   (( segid "   A" and resid 27   and name  HB2 ))
   (( segid "   B" and resid 27   and name  HA  ))
      5.417     1.083     1.083 peak    33 weight  1.00000E+00 volume  2.36568E+04 ppm1      1.240 ppm2      3.949

 ASSI {   33}
   (( segid "   B" and resid 27   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HA  ))
      5.417     1.083     1.083 peak    33 weight  1.00000E+00 volume  2.36568E+04 ppm1      1.240 ppm2      3.949

 ASSI {   72}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HD1 ))
      5.244     1.049     1.049 peak    72 weight  1.00000E+00 volume  2.97616E+04 ppm1      4.345 ppm2      7.404

 ASSI {   72}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 19   and name  HD1 ))
      5.244     1.049     1.049 peak    72 weight  1.00000E+00 volume  2.97616E+04 ppm1      4.345 ppm2      7.404

 ASSI {   74}
   (( segid "   B" and resid 18   and name  HB2 ))
   (( segid "   B" and resid 19   and name  HA  ))
      4.409     0.882     0.882 peak    74 weight  1.00000E+00 volume  3.44017E+04 ppm1      3.160 ppm2      4.367

 ASSI {   74}
   (( segid "   A" and resid 18   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HA  ))
      4.409     0.882     0.882 peak    74 weight  1.00000E+00 volume  3.44017E+04 ppm1      3.160 ppm2      4.367
!18HA

! ASSI {  293}
!   (( segid "   B" and resid 7    and name  HA  ))
!   (( segid "   B" and resid 3    and name  HB1 ))
!      4.228     0.846     0.846 peak   293 weight  1.00000E+00 volume  5.61046E+04 ppm1      2.557 ppm2      3.932
!7HG1

 ASSI {  288}
   (( segid "   B" and resid 7    and name  HA  ))
   (  segid "   B" and resid 10   and name  HG23)
      3.723     0.745     0.745 peak   288 weight  1.00000E+00 volume  1.39082E+05 ppm1      3.927 ppm2      0.831

 ASSI {  288}
   (( segid "   A" and resid 7    and name  HA  ))
   (  segid "   A" and resid 10   and name  HG23)
      3.723     0.745     0.745 peak   288 weight  1.00000E+00 volume  1.39082E+05 ppm1      3.927 ppm2      0.831

 ASSI {  297}
   (( segid "   A" and resid 16   and name  HG2 ))
   (( segid "   A" and resid 16   and name  HE2 ))
      4.561     0.912     0.912 peak   297 weight  1.00000E+00 volume  3.36392E+04 ppm1      1.415 ppm2      3.344

 ASSI {  297}
   (( segid "   B" and resid 16   and name  HG2 ))
   (( segid "   B" and resid 16   and name  HE2 ))
      4.561     0.912     0.912 peak   297 weight  1.00000E+00 volume  3.36392E+04 ppm1      1.415 ppm2      3.344

 ASSI {  109}
   (( segid "   B" and resid 8    and name  HB1 ))
   (( segid "   B" and resid 8    and name  HA  ))
      4.063     0.813     0.813 peak   109 weight  1.00000E+00 volume  8.56652E+04 ppm1      2.698 ppm2      4.370

 ASSI {  109}
   (( segid "   A" and resid 8    and name  HB1 ))
   (( segid "   A" and resid 8    and name  HA  ))
      4.063     0.813     0.813 peak   109 weight  1.00000E+00 volume  8.56652E+04 ppm1      2.698 ppm2      4.370

 ASSI {  174}
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 18   and name  HA  ))
      4.770     0.954     0.954 peak   174 weight  1.00000E+00 volume  2.48784E+04 ppm1      4.377 ppm2      2.168

 ASSI {  174}
   (( segid "   B" and resid 21   and name  HB1 ))
   (( segid "   B" and resid 18   and name  HA  ))
      4.770     0.954     0.954 peak   174 weight  1.00000E+00 volume  2.48784E+04 ppm1      4.377 ppm2      2.168

 ASSI {  122}
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 3    and name  HA  ))
      3.836     0.767     0.767 peak   122 weight  1.00000E+00 volume  6.69373E+04 ppm1      2.097 ppm2      4.166

 ASSI {  122}
   (( segid "   B" and resid 3    and name  HB2 ))
   (( segid "   B" and resid 3    and name  HA  ))
      3.836     0.767     0.767 peak   122 weight  1.00000E+00 volume  6.69373E+04 ppm1      2.097 ppm2      4.166

! ASSI {   31}
!   (( segid "   B" and resid 27   and name  HB2 ))
!   (( segid "   A" and resid 27   and name  HB1 ))
!      4.068     0.814     0.814 peak    31 weight  1.00000E+00 volume  4.72481E+04 ppm1      1.246 ppm2      1.968

 ASSI {    5}
   (( segid "   A" and resid 31   and name  HB  ))
   (( segid "   A" and resid 32   and name  HA2  ))
      3.908     0.782     0.782 peak     5 weight  1.00000E+00 volume  1.10536E+05 ppm1      4.181 ppm2      2.248

 ASSI {    5}
   (( segid "   B" and resid 31   and name  HB  ))
   (( segid "   B" and resid 32   and name  HA2  ))
      3.908     0.782     0.782 peak     5 weight  1.00000E+00 volume  1.10536E+05 ppm1      4.181 ppm2      2.248
!!31HA

 ASSI {  140}
   (( segid "   B" and resid 28   and name  HA  ))
   (( segid "   B" and resid 31   and name  HB  ))
      5.615     1.123     1.123 peak   140 weight  1.00000E+00 volume  2.57514E+04 ppm1      3.807 ppm2      2.248

 ASSI {  140}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 31   and name  HB  ))
      5.615     1.123     1.123 peak   140 weight  1.00000E+00 volume  2.57514E+04 ppm1      3.807 ppm2      2.248

! ASSI {  120}
!   (( segid "   B" and resid 3    and name  HB2 ))
!   (( segid "   A" and resid 3    and name  HB1 ))
!      4.267     0.853     0.853 peak   120 weight  1.00000E+00 volume  1.38124E+05 ppm1      2.527 ppm2      2.062

 ASSI {   80}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HA  ))
      4.357     0.871     0.871 peak    80 weight  1.00000E+00 volume  4.55803E+04 ppm1      3.262 ppm2      4.363

 ASSI {   80}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 17   and name  HA  ))
      4.357     0.871     0.871 peak    80 weight  1.00000E+00 volume  4.55803E+04 ppm1      3.262 ppm2      4.363

 ASSI {   81}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   B" and resid 17   and name  HA  ))
      3.978     0.796     0.796 peak    81 weight  1.00000E+00 volume  5.91527E+04 ppm1      2.721 ppm2      4.360

 ASSI {   81}
   (( segid "   B" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 17   and name  HA  ))
      3.978     0.796     0.796 peak    81 weight  1.00000E+00 volume  5.91527E+04 ppm1      2.721 ppm2      4.360

 ASSI {  208}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      5.065     1.013     1.013 peak   208 weight  1.00000E+00 volume  5.66977E+04 ppm1      4.002 ppm2      8.254

 ASSI {  208}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 12   and name  HN  ))
      5.065     1.013     1.013 peak   208 weight  1.00000E+00 volume  5.66977E+04 ppm1      4.002 ppm2      8.254

 ASSI {  338}
   (( segid "   A" and resid 28   and name  HG1 ))
   (( segid "   A" and resid 24   and name  HG1# ))
      4.501     0.900     0.900 peak   338 weight  1.00000E+00 volume  3.53294E+04 ppm1      0.876 ppm2      1.713

 ASSI {  338}
   (( segid "   B" and resid 28   and name  HG1 ))
   (( segid "   B" and resid 24   and name  HG1# ))
      4.501     0.900     0.900 peak   338 weight  1.00000E+00 volume  3.53294E+04 ppm1      0.876 ppm2      1.713
!28HD1

 ASSI {  200}
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HB2 ))
      5.070     1.014     1.014 peak   200 weight  1.00000E+00 volume  3.02219E+04 ppm1      1.241 ppm2      3.258

 ASSI {  200}
   (( segid "   B" and resid 13   and name  HB2 ))
   (( segid "   B" and resid 17   and name  HB2 ))
      5.070     1.014     1.014 peak   200 weight  1.00000E+00 volume  3.02219E+04 ppm1      1.241 ppm2      3.258

 ASSI {   88}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.548     0.710     0.710 peak    88 weight  1.00000E+00 volume  8.17458E+04 ppm1      4.034 ppm2      1.882

 ASSI {   88}
   (( segid "   B" and resid 14   and name  HB1 ))
   (( segid "   B" and resid 14   and name  HA  ))
      3.548     0.710     0.710 peak    88 weight  1.00000E+00 volume  8.17458E+04 ppm1      4.034 ppm2      1.882

 ASSI {  143}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HN  ))
      4.912     0.982     0.982 peak   143 weight  1.00000E+00 volume  4.58493E+04 ppm1      1.664 ppm2      7.288

 ASSI {  143}
   (( segid "   B" and resid 28   and name  HB1 ))
   (( segid "   B" and resid 29   and name  HN  ))
      4.912     0.982     0.982 peak   143 weight  1.00000E+00 volume  4.58493E+04 ppm1      1.664 ppm2      7.288

 ASSI {   53}
   (( segid "   A" and resid 23   and name  HG1 ))
   (( segid "   A" and resid 23   and name  HA  ))
      4.110     0.822     0.822 peak    53 weight  1.00000E+00 volume  7.03469E+04 ppm1      4.304 ppm2      2.058

 ASSI {   53}
   (( segid "   B" and resid 23   and name  HG1 ))
   (( segid "   B" and resid 23   and name  HA  ))
      4.110     0.822     0.822 peak    53 weight  1.00000E+00 volume  7.03469E+04 ppm1      4.304 ppm2      2.058

 ASSI {    9}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB1 ))
      3.928     0.786     0.786 peak     9 weight  1.00000E+00 volume  5.22487E+04 ppm1      4.205 ppm2      1.718

 ASSI {    9}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 16   and name  HB1 ))
      3.928     0.786     0.786 peak     9 weight  1.00000E+00 volume  5.22487E+04 ppm1      4.205 ppm2      1.718
!30HA

 ASSI {  224}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 8    and name  HA  ))
      4.669     0.934     0.934 peak   224 weight  1.00000E+00 volume  3.82802E+04 ppm1      4.387 ppm2      2.092

 ASSI {  224}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 8    and name  HA  ))
      4.669     0.934     0.934 peak   224 weight  1.00000E+00 volume  3.82802E+04 ppm1      4.387 ppm2      2.092

 ASSI {  125}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      4.032     0.806     0.806 peak   125 weight  1.00000E+00 volume  6.66500E+04 ppm1      4.202 ppm2      1.632

 ASSI {  125}
   (( segid "   B" and resid 31   and name  HA  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      4.032     0.806     0.806 peak   125 weight  1.00000E+00 volume  6.66500E+04 ppm1      4.202 ppm2      1.632
!30HA

 ASSI {   96}
   (( segid "   B" and resid 12   and name  HB2 ))
   (( segid "   B" and resid 12   and name  HA  ))
      3.514     0.703     0.703 peak    96 weight  1.00000E+00 volume  2.09478E+05 ppm1      4.115 ppm2      2.156

 ASSI {   96}
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.514     0.703     0.703 peak    96 weight  1.00000E+00 volume  2.09478E+05 ppm1      4.115 ppm2      2.156

! ASSI {  180}
!   (( segid "   A" and resid 14   and name  HB2 ))
!   (( segid "   A" and resid 16   and name  HG2 ))
!      4.105     0.821     0.821 peak   180 weight  1.00000E+00 volume  8.38269E+04 ppm1      1.866 ppm2      1.432
!16HB2

 ASSI {  164}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 23   and name  HN  ))
      4.566     0.913     0.913 peak   164 weight  1.00000E+00 volume  3.04252E+04 ppm1      2.822 ppm2      8.035

 ASSI {  164}
   (( segid "   B" and resid 22   and name  HB1 ))
   (( segid "   B" and resid 23   and name  HN  ))
      4.566     0.913     0.913 peak   164 weight  1.00000E+00 volume  3.04252E+04 ppm1      2.822 ppm2      8.035

! ASSI {  106}
!   (( segid "   A" and resid 10   and name  HA  ))
!   (( segid "   A" and resid 7    and name  HB1  ))
!      4.740     0.948     0.948 peak   106 weight  1.00000E+00 volume  1.65667E+04 ppm1      3.391 ppm2      2.202
!10HB

 ASSI {   40}
   (( segid "   B" and resid 21   and name  HB2 ))
   (( segid "   B" and resid 21   and name  HA  ))
      3.667     0.733     0.733 peak    40 weight  1.00000E+00 volume  1.16748E+05 ppm1      3.990 ppm2      2.063

 ASSI {   40}
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.667     0.733     0.733 peak    40 weight  1.00000E+00 volume  1.16748E+05 ppm1      3.990 ppm2      2.063
!11HA

 ASSI {  107}
   (( segid "   B" and resid 10   and name  HA  ))
   (  segid "   B" and resid 10   and name  HG2#)
      3.129     0.626     0.626 peak   107 weight  1.00000E+00 volume  3.23555E+05 ppm1      3.395 ppm2      0.870

 ASSI {  107}
   (( segid "   A" and resid 10   and name  HA  ))
   (  segid "   A" and resid 10   and name  HG2#)
      3.129     0.626     0.626 peak   107 weight  1.00000E+00 volume  3.23555E+05 ppm1      3.395 ppm2      0.870

 ASSI {   60}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.920     0.784     0.784 peak    60 weight  1.00000E+00 volume  7.37213E+04 ppm1      4.421 ppm2      2.763

 ASSI {   60}
   (( segid "   B" and resid 22   and name  HB1 ))
   (( segid "   B" and resid 22   and name  HA  ))
      3.920     0.784     0.784 peak    60 weight  1.00000E+00 volume  7.37213E+04 ppm1      4.421 ppm2      2.763

 ASSI {  226}
   (( segid "   B" and resid 9    and name  HB1 ))
   (( segid "   B" and resid 6    and name  HA  ))
      4.070     0.814     0.814 peak   226 weight  1.00000E+00 volume  7.39696E+04 ppm1      4.143 ppm2      1.699

 ASSI {  226}
   (( segid "   A" and resid 9    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HA  ))
      4.070     0.814     0.814 peak   226 weight  1.00000E+00 volume  7.39696E+04 ppm1      4.143 ppm2      1.699

 ASSI {  113}
   (( segid "   A" and resid 6    and name  HB2 ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.924     0.785     0.785 peak   113 weight  1.00000E+00 volume  9.28713E+04 ppm1      1.452 ppm2      0.850

 ASSI {  113}
   (( segid "   B" and resid 6    and name  HB2 ))
   (  segid "   A" and resid 6    and name  HD1#)
      3.924     0.785     0.785 peak   113 weight  1.00000E+00 volume  9.28713E+04 ppm1      1.452 ppm2      0.850

 ASSI {  247}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 18   and name  HB2 ))
      3.544     0.709     0.709 peak   247 weight  1.00000E+00 volume  1.34432E+05 ppm1      3.164 ppm2      3.235

 ASSI {  247}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 18   and name  HB2 ))
      3.544     0.709     0.709 peak   247 weight  1.00000E+00 volume  1.34432E+05 ppm1      3.164 ppm2      3.235
!18HB1

 ASSI {  259}
   (( segid "   A" and resid 2    and name  HB1 ))
   (( segid "   B" and resid 2    and name  HB2 ))
      4.234     0.847     0.847 peak   259 weight  1.00000E+00 volume  1.50806E+05 ppm1      4.143 ppm2      3.901

 ASSI {  259}
   (( segid "   B" and resid 2    and name  HB1 ))
   (( segid "   A" and resid 2    and name  HB2 ))
      4.234     0.847     0.847 peak   259 weight  1.00000E+00 volume  1.50806E+05 ppm1      4.143 ppm2      3.901

 ASSI {  175}
   (( segid "   B" and resid 17   and name  HA  ))
   (  segid "   B" and resid 20   and name  HD11)
      4.682     0.936     0.936 peak   175 weight  1.00000E+00 volume  5.74853E+04 ppm1      4.375 ppm2      0.857

 ASSI {  175}
   (( segid "   A" and resid 17   and name  HA  ))
   (  segid "   A" and resid 20   and name  HD11)
      4.682     0.936     0.936 peak   175 weight  1.00000E+00 volume  5.74853E+04 ppm1      4.375 ppm2      0.857

 ASSI {  191}
   (  segid "   B" and resid 14   and name  HD12)
   (( segid "   B" and resid 17   and name  HB2 ))
      4.016     0.803     0.803 peak   191 weight  1.00000E+00 volume  7.70093E+04 ppm1      0.865 ppm2      3.252

 ASSI {  191}
   (  segid "   A" and resid 14   and name  HD12)
   (( segid "   A" and resid 17   and name  HB2 ))
      4.016     0.803     0.803 peak   191 weight  1.00000E+00 volume  7.70093E+04 ppm1      0.865 ppm2      3.252
!30HD1#

 ASSI {  225}
   (( segid "   B" and resid 8    and name  HB2 ))
   (( segid "   B" and resid 6    and name  HN  ))
      5.135     1.027     1.027 peak   225 weight  1.00000E+00 volume  3.13193E+04 ppm1      2.857 ppm2      7.897

 ASSI {  225}
   (( segid "   A" and resid 8    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HN  ))
      5.135     1.027     1.027 peak   225 weight  1.00000E+00 volume  3.13193E+04 ppm1      2.857 ppm2      7.897
!9HN

 ASSI {   62}
   (( segid "   B" and resid 21   and name  HB1 ))
   (( segid "   B" and resid 21   and name  HA  ))
      3.802     0.760     0.760 peak    62 weight  1.00000E+00 volume  1.09527E+05 ppm1      2.192 ppm2      3.988

 ASSI {   62}
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.802     0.760     0.760 peak    62 weight  1.00000E+00 volume  1.09527E+05 ppm1      2.192 ppm2      3.988
!11HB1

 ASSI {  342}
   (( segid "   B" and resid 6    and name  HB1 ))
   (( segid "   B" and resid 6    and name  HG  ))
      3.315     0.663     0.663 peak   342 weight  1.00000E+00 volume  1.00530E+05 ppm1      1.772 ppm2      1.975

 ASSI {  342}
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HG  ))
      3.315     0.663     0.663 peak   342 weight  1.00000E+00 volume  1.00530E+05 ppm1      1.772 ppm2      1.975

 ASSI {  196}
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.359     0.672     0.672 peak   196 weight  1.00000E+00 volume  1.93893E+05 ppm1      4.004 ppm2      1.895

 ASSI {  196}
   (( segid "   B" and resid 16   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HA  ))
      3.359     0.672     0.672 peak   196 weight  1.00000E+00 volume  1.93893E+05 ppm1      4.004 ppm2      1.895

 ASSI {  193}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      4.551     0.910     0.910 peak   193 weight  1.00000E+00 volume  4.09124E+04 ppm1      3.983 ppm2      8.984

 ASSI {  193}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 14   and name  HN  ))
      4.551     0.910     0.910 peak   193 weight  1.00000E+00 volume  4.09124E+04 ppm1      3.983 ppm2      8.984

! ASSI {  279}
!   (( segid "   A" and resid 9    and name  HA  ))
!   (( segid "   A" and resid 9    and name  HG1 ))
!      4.348     0.870     0.870 peak   279 weight  1.00000E+00 volume  4.36071E+04 ppm1      1.561 ppm2      4.171
!29HG1

 ASSI {  325}
   (( segid "   A" and resid 32   and name  HA1 ))
   (  segid "   A" and resid 31   and name  HG2#)
      3.828     0.766     0.766 peak   325 weight  1.00000E+00 volume  4.16097E+04 ppm1      0.916 ppm2      4.147

 ASSI {  178}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      4.616     0.923     0.923 peak   178 weight  1.00000E+00 volume  3.04367E+04 ppm1      4.197 ppm2      3.490

 ASSI {  178}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      4.616     0.923     0.923 peak   178 weight  1.00000E+00 volume  3.04367E+04 ppm1      4.197 ppm2      3.490

 ASSI {   20}
   (( segid "   A" and resid 29   and name  HG2 ))
   (( segid "   A" and resid 29   and name  HE1 ))
      4.120     0.824     0.824 peak    20 weight  1.00000E+00 volume  8.32938E+04 ppm1      1.425 ppm2      2.892

 ASSI {   20}
   (( segid "   B" and resid 29   and name  HG2 ))
   (( segid "   B" and resid 29   and name  HE1 ))
      4.120     0.824     0.824 peak    20 weight  1.00000E+00 volume  8.32938E+04 ppm1      1.425 ppm2      2.892

! ASSI {  261}
!   (( segid "   A" and resid 3    and name  HB2 ))
!   (( segid "   A" and resid 4    and name  HE1 ))
!      4.464     0.893     0.893 peak   261 weight  1.00000E+00 volume  3.45786E+04 ppm1      2.086 ppm2      3.326

 ASSI {  332}
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HE2 ))
      4.448     0.890     0.890 peak   332 weight  1.00000E+00 volume  3.10306E+04 ppm1      1.900 ppm2      3.173

 ASSI {  332}
   (( segid "   B" and resid 28   and name  HB2 ))
   (( segid "   B" and resid 28   and name  HE2 ))
      4.448     0.890     0.890 peak   332 weight  1.00000E+00 volume  3.10306E+04 ppm1      1.900 ppm2      3.173

 ASSI {  115}
   (  segid "   A" and resid 6    and name  HD2#)
   (( segid "   A" and resid 6    and name  HA  ))
      3.459     0.692     0.692 peak   115 weight  1.00000E+00 volume  2.05976E+05 ppm1      0.880 ppm2      4.170

 ASSI {  115}
   (  segid "   B" and resid 6    and name  HD2#)
   (( segid "   B" and resid 6    and name  HA  ))
      3.459     0.692     0.692 peak   115 weight  1.00000E+00 volume  2.05976E+05 ppm1      0.880 ppm2      4.170
!15HA

 ASSI {  350}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 8    and name  HE2 ))
      4.782     0.956     0.956 peak   350 weight  1.00000E+00 volume  4.02762E+04 ppm1      2.108 ppm2      3.531

 ASSI {  350}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 8    and name  HE2 ))
      4.782     0.956     0.956 peak   350 weight  1.00000E+00 volume  4.02762E+04 ppm1      2.108 ppm2      3.531
!26HD1

 ASSI {  296}
   (( segid "   A" and resid 16   and name  HG1 ))
   (( segid "   A" and resid 16   and name  HE1 ))
      4.440     0.888     0.888 peak   296 weight  1.00000E+00 volume  2.93652E+04 ppm1      1.616 ppm2      2.978

 ASSI {  296}
   (( segid "   B" and resid 16   and name  HG1 ))
   (( segid "   B" and resid 16   and name  HE1 ))
      4.440     0.888     0.888 peak   296 weight  1.00000E+00 volume  2.93652E+04 ppm1      1.616 ppm2      2.978

 ASSI {  315}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 14   and name  HG  ))
      4.908     0.982     0.982 peak   315 weight  1.00000E+00 volume  3.45379E+04 ppm1      1.775 ppm2      3.992

 ASSI {  315}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 14   and name  HG  ))
      4.908     0.982     0.982 peak   315 weight  1.00000E+00 volume  3.45379E+04 ppm1      1.775 ppm2      3.992
!13HA

 ASSI {  223}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
      4.621     0.924     0.924 peak   223 weight  1.00000E+00 volume  3.58849E+04 ppm1      4.397 ppm2      7.906

 ASSI {  223}
   (( segid "   B" and resid 8    and name  HA  ))
   (( segid "   B" and resid 11   and name  HN  ))
      4.621     0.924     0.924 peak   223 weight  1.00000E+00 volume  3.58849E+04 ppm1      4.397 ppm2      7.906

 ASSI {  202}
   (( segid "   B" and resid 14   and name  HB2 ))
   (  segid "   A" and resid 13   and name  HD22)
      3.141     0.628     0.628 peak   202 weight  1.00000E+00 volume  2.99937E+05 ppm1      0.860 ppm2      1.887

 ASSI {  202}
   (( segid "   A" and resid 14   and name  HB2 ))
   (  segid "   B" and resid 13   and name  HD22)
      3.141     0.628     0.628 peak   202 weight  1.00000E+00 volume  2.99937E+05 ppm1      0.860 ppm2      1.887
!16HB2

 ASSI {  166}
   (( segid "   B" and resid 21   and name  HB2 ))
   (( segid "   B" and resid 21   and name  HA  ))
      3.667     0.733     0.733 peak   166 weight  1.00000E+00 volume  1.16748E+05 ppm1      3.996 ppm2      2.040

 ASSI {  166}
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.667     0.733     0.733 peak   166 weight  1.00000E+00 volume  1.16748E+05 ppm1      3.996 ppm2      2.040
!11HB2

 ASSI {   64}
   (( segid "   A" and resid 21   and name  HG1 ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.667     0.733     0.733 peak    64 weight  1.00000E+00 volume  1.16748E+05 ppm1      3.991 ppm2      2.056

 ASSI {   64}
   (( segid "   B" and resid 21   and name  HG1 ))
   (( segid "   B" and resid 21   and name  HA  ))
      3.667     0.733     0.733 peak    64 weight  1.00000E+00 volume  1.16748E+05 ppm1      3.991 ppm2      2.056

! ASSI {    1}
!   (( segid "   B" and resid 33   and name  HA  ))
!   (( segid "   A" and resid 11   and name  HB2 ))
!      4.153     0.831     0.831 peak     1 weight  1.00000E+00 volume  9.94998E+04 ppm1      4.216 ppm2      2.072

! ASSI {  249}
!   (( segid "   A" and resid 27   and name  HG  ))
!   (  segid "   B" and resid 27   and name  HD13)
!      5.026     1.005     1.005 peak   249 weight  1.00000E+00 volume  3.16953E+04 ppm1      1.631 ppm2      0.758

 ASSI {  217}
   (  segid "   A" and resid 10   and name  HG21)
   (  segid "   B" and resid 10   and name  HG1#)
      4.754     0.951     0.951 peak   217 weight  1.00000E+00 volume  3.86023E+04 ppm1      0.917 ppm2      1.037

 ASSI {  217}
   (  segid "   B" and resid 10   and name  HG21)
   (  segid "   A" and resid 10   and name  HG1#)
      4.754     0.951     0.951 peak   217 weight  1.00000E+00 volume  3.86023E+04 ppm1      0.917 ppm2      1.037

 ASSI {   21}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HG1 ))
      4.197     0.839     0.839 peak    21 weight  1.00000E+00 volume  5.24647E+04 ppm1      1.425 ppm2      4.175

 ASSI {   21}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HG1 ))
      4.197     0.839     0.839 peak    21 weight  1.00000E+00 volume  5.24647E+04 ppm1      1.425 ppm2      4.175

 ASSI {  173}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 19   and name  HN  ))
      4.628     0.926     0.926 peak   173 weight  1.00000E+00 volume  2.68268E+04 ppm1      4.375 ppm2      7.991

 ASSI {  173}
   (( segid "   B" and resid 18   and name  HA  ))
   (( segid "   B" and resid 19   and name  HN  ))
      4.628     0.926     0.926 peak   173 weight  1.00000E+00 volume  2.68268E+04 ppm1      4.375 ppm2      7.991

 ASSI {  184}
   (( segid "   B" and resid 16   and name  HE1 ))
   (  segid "   B" and resid 20   and name  HD1#)
      4.270     0.854     0.854 peak   184 weight  1.00000E+00 volume  6.04230E+04 ppm1      2.978 ppm2      0.829

 ASSI {  184}
   (( segid "   A" and resid 16   and name  HE1 ))
   (  segid "   A" and resid 20   and name  HD1#)
      4.270     0.854     0.854 peak   184 weight  1.00000E+00 volume  6.04230E+04 ppm1      2.978 ppm2      0.829

 ASSI {  172}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.508     0.902     0.902 peak   172 weight  1.00000E+00 volume  2.64365E+04 ppm1      4.354 ppm2      8.845

 ASSI {  172}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 21   and name  HN  ))
      4.508     0.902     0.902 peak   172 weight  1.00000E+00 volume  2.64365E+04 ppm1      4.354 ppm2      8.845

 ASSI {  144}
   (( segid "   B" and resid 30   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HA  ))
      3.816     0.763     0.763 peak   144 weight  1.00000E+00 volume  7.49615E+04 ppm1      3.990 ppm2      1.640

 ASSI {  144}
   (( segid "   A" and resid 30   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.816     0.763     0.763 peak   144 weight  1.00000E+00 volume  7.49615E+04 ppm1      3.990 ppm2      1.640
!13HA

! ASSI {  148}
!   (( segid "   A" and resid 26   and name  HB1 ))
1   (( segid "   A" and resid 27   and name  HN  ))
!      4.944     0.989     0.989 peak   148 weight  1.00000E+00 volume  3.97076E+04 ppm1      1.893 ppm2      8.439

 ASSI {   22}
   (( segid "   A" and resid 29   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HG1 ))
      3.765     0.753     0.753 peak    22 weight  1.00000E+00 volume  1.09796E+05 ppm1      1.756 ppm2      1.424

 ASSI {   22}
   (( segid "   B" and resid 29   and name  HB1 ))
   (( segid "   B" and resid 29   and name  HG1 ))
      3.765     0.753     0.753 peak    22 weight  1.00000E+00 volume  1.09796E+05 ppm1      1.756 ppm2      1.424

 ASSI {  336}
   (( segid "   B" and resid 24   and name  HG1# ))
   (( segid "   B" and resid 28   and name  HE2 ))
      4.676     0.935     0.935 peak   336 weight  1.00000E+00 volume  4.19755E+04 ppm1      0.876 ppm2      3.072

 ASSI {  336}
   (( segid "   A" and resid 24   and name  HG1# ))
   (( segid "   A" and resid 28   and name  HE2 ))
      4.676     0.935     0.935 peak   336 weight  1.00000E+00 volume  4.19755E+04 ppm1      0.876 ppm2      3.072
!28HD1

 ASSI {  324}
   (  segid "   A" and resid 31   and name  HG2#)
   (( segid "   A" and resid 32   and name  HN  ))
      5.080     1.016     1.016 peak   324 weight  1.00000E+00 volume  7.16858E+04 ppm1      0.914 ppm2      7.819

 ASSI {  324}
   (  segid "   B" and resid 31   and name  HG2#)
   (( segid "   B" and resid 32   and name  HN  ))
      5.080     1.016     1.016 peak   324 weight  1.00000E+00 volume  7.16858E+04 ppm1      0.914 ppm2      7.819

 ASSI {   67}
   (( segid "   B" and resid 21   and name  HB1 ))
   (( segid "   B" and resid 21   and name  HG2 ))
      3.124     0.625     0.625 peak    67 weight  1.00000E+00 volume  2.24896E+05 ppm1      2.192 ppm2      2.446

 ASSI {   67}
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 21   and name  HG2 ))
      3.124     0.625     0.625 peak    67 weight  1.00000E+00 volume  2.24896E+05 ppm1      2.192 ppm2      2.446
!11HB!

 ASSI {  131}
   (( segid "   B" and resid 21   and name  HA  ))
   (  segid "   A" and resid 20   and name  HD13)
      3.198     0.640     0.640 peak   131 weight  1.00000E+00 volume  2.47616E+05 ppm1      3.994 ppm2      0.835

 ASSI {  131}
   (( segid "   A" and resid 21   and name  HA  ))
   (  segid "   B" and resid 20   and name  HD13)
      3.198     0.640     0.640 peak   131 weight  1.00000E+00 volume  2.47616E+05 ppm1      3.994 ppm2      0.835
!13HA

 ASSI {  188}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      5.118     1.024     1.024 peak   188 weight  1.00000E+00 volume  3.36379E+04 ppm1      4.006 ppm2      7.807

 ASSI {  188}
   (( segid "   B" and resid 14   and name  HA  ))
   (( segid "   B" and resid 15   and name  HN  ))
      5.118     1.024     1.024 peak   188 weight  1.00000E+00 volume  3.36379E+04 ppm1      4.006 ppm2      7.807

 ASSI {   58}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 23   and name  HA  ))
      4.344     0.869     0.869 peak    58 weight  1.00000E+00 volume  5.67542E+04 ppm1      2.814 ppm2      4.383

 ASSI {   58}
   (( segid "   B" and resid 22   and name  HB1 ))
   (( segid "   B" and resid 23   and name  HA  ))
      4.344     0.869     0.869 peak    58 weight  1.00000E+00 volume  5.67542E+04 ppm1      2.814 ppm2      4.383
!22HA

 ASSI {  116}
   (( segid "   B" and resid 5    and name  HA  ))
   (( segid "   B" and resid 5    and name  HG1 ))
      3.941     0.788     0.788 peak   116 weight  1.00000E+00 volume  1.00637E+05 ppm1      4.115 ppm2      2.425

 ASSI {  116}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HG1 ))
      3.941     0.788     0.788 peak   116 weight  1.00000E+00 volume  1.00637E+05 ppm1      4.115 ppm2      2.425
!4HA

 ASSI {   27}
   (( segid "   B" and resid 28   and name  HA  ))
   (( segid "   B" and resid 28   and name  HG2 ))
      4.274     0.855     0.855 peak    27 weight  1.00000E+00 volume  5.91317E+04 ppm1      3.806 ppm2      1.240

 ASSI {   27}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 28   and name  HG2 ))
      4.274     0.855     0.855 peak    27 weight  1.00000E+00 volume  5.91317E+04 ppm1      3.806 ppm2      1.240

 ASSI {  230}
   (( segid "   B" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HB2 ))
      4.111     0.822     0.822 peak   230 weight  1.00000E+00 volume  7.44499E+04 ppm1      1.250 ppm2      2.064

 ASSI {  230}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   B" and resid 13   and name  HB2 ))
      4.111     0.822     0.822 peak   230 weight  1.00000E+00 volume  7.44499E+04 ppm1      1.250 ppm2      2.064

 ASSI {   63}
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.966     0.793     0.793 peak    63 weight  1.00000E+00 volume  5.58815E+04 ppm1      2.101 ppm2      3.999

 ASSI {   63}
   (( segid "   B" and resid 21   and name  HB2 ))
   (( segid "   B" and resid 21   and name  HA  ))
      3.966     0.793     0.793 peak    63 weight  1.00000E+00 volume  5.58815E+04 ppm1      2.101 ppm2      3.999
!11HB2

 ASSI {   71}
   (( segid "   B" and resid 19   and name  HB2 ))
   (( segid "   B" and resid 19   and name  HE1 ))
      5.007     1.001     1.001 peak    71 weight  1.00000E+00 volume  3.26682E+04 ppm1      3.469 ppm2      8.287

 ASSI {   71}
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HE1 ))
      5.007     1.001     1.001 peak    71 weight  1.00000E+00 volume  3.26682E+04 ppm1      3.469 ppm2      8.287

 ASSI {   89}
   (( segid "   B" and resid 14   and name  HA  ))
   (  segid "   B" and resid 14   and name  HD1#)
      3.372     0.674     0.674 peak    89 weight  1.00000E+00 volume  1.81772E+05 ppm1      4.032 ppm2      0.842

 ASSI {   89}
   (( segid "   A" and resid 14   and name  HA  ))
   (  segid "   A" and resid 14   and name  HD1#)
      3.372     0.674     0.674 peak    89 weight  1.00000E+00 volume  1.81772E+05 ppm1      4.032 ppm2      0.842

 ASSI {   12}
   (( segid "   A" and resid 3    and name  HB1 ))
   (( segid "   A" and resid 4   and name  HA  ))
      4.118     0.824     0.824 peak    12 weight  1.00000E+00 volume  5.40038E+04 ppm1      4.176 ppm2      2.497
!29HA

 ASSI {   12}
   (( segid "   B" and resid 3    and name  HB1 ))
   (( segid "   B" and resid 4   and name  HA  ))
      4.118     0.824     0.824 peak    12 weight  1.00000E+00 volume  5.40038E+04 ppm1      4.176 ppm2      2.497

! ASSI {  121}
!   (( segid "   A" and resid 3    and name  HB1 ))
!   (( segid "   B" and resid 3    and name  HA  ))
!      4.365     0.873     0.873 peak   121 weight  1.00000E+00 volume  4.22356E+04 ppm1      2.542 ppm2      4.166

ASSI {   41}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HA  ))
      5.104     1.021     1.021 peak    41 weight  1.00000E+00 volume  1.55950E+04 ppm1      1.877 ppm2      3.971

 ASSI {   41}
   (( segid "   B" and resid 26   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HA  ))
      5.104     1.021     1.021 peak    41 weight  1.00000E+00 volume  1.55950E+04 ppm1      1.877 ppm2      3.971
!11HA

 ASSI {  192}
   (( segid "   B" and resid 13   and name  HA  ))
   (  segid "   B" and resid 13   and name  HD2#)
      3.163     0.633     0.633 peak   192 weight  1.00000E+00 volume  3.75499E+05 ppm1      3.992 ppm2      0.811

 ASSI {  192}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD2#)
      3.163     0.633     0.633 peak   192 weight  1.00000E+00 volume  3.75499E+05 ppm1      3.992 ppm2      0.811

 ASSI {   79}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 17   and name  HA  ))
      4.935     0.987     0.987 peak    79 weight  1.00000E+00 volume  1.47563E+04 ppm1      4.364 ppm2      3.249

 ASSI {   79}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HA  ))
      4.935     0.987     0.987 peak    79 weight  1.00000E+00 volume  1.47563E+04 ppm1      4.364 ppm2      3.249

 ASSI {  108}
   (( segid "   B" and resid 8    and name  HB1 ))
   (( segid "   B" and resid 8    and name  HA  ))
      3.663     0.733     0.733 peak   108 weight  1.00000E+00 volume  1.06797E+05 ppm1      4.388 ppm2      2.697

 ASSI {  108}
   (( segid "   A" and resid 8    and name  HB1 ))
   (( segid "   A" and resid 8    and name  HA  ))
      3.663     0.733     0.733 peak   108 weight  1.00000E+00 volume  1.06797E+05 ppm1      4.388 ppm2      2.697

 ASSI {  128}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HG2 ))
      3.856     0.771     0.771 peak   128 weight  1.00000E+00 volume  1.26329E+05 ppm1      4.005 ppm2      2.172

 ASSI {  128}
   (( segid "   B" and resid 26   and name  HA  ))
   (( segid "   B" and resid 26   and name  HG2 ))
      3.856     0.771     0.771 peak   128 weight  1.00000E+00 volume  1.26329E+05 ppm1      4.005 ppm2      2.172
!11HA

 ASSI {  147}
   (( segid "   B" and resid 25   and name  HA  ))
   (( segid "   B" and resid 27   and name  HN  ))
      5.138     1.028     1.028 peak   147 weight  1.00000E+00 volume  4.27218E+04 ppm1      3.977 ppm2      8.429

 ASSI {  147}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      5.138     1.028     1.028 peak   147 weight  1.00000E+00 volume  4.27218E+04 ppm1      3.977 ppm2      8.429
!11HA

 ASSI {  294}
   (( segid "   A" and resid 16   and name  HG1 ))
   (( segid "   A" and resid 16   and name  HE1 ))
      3.933     0.787     0.787 peak   294 weight  1.00000E+00 volume  1.76422E+05 ppm1      2.977 ppm2      1.610

 ASSI {  294}
   (( segid "   B" and resid 16   and name  HG1 ))
   (( segid "   B" and resid 16   and name  HE1 ))
      3.933     0.787     0.787 peak   294 weight  1.00000E+00 volume  1.76422E+05 ppm1      2.977 ppm2      1.610

 ASSI {  333}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HB2 ))
      4.657     0.931     0.931 peak   333 weight  1.00000E+00 volume  5.19043E+04 ppm1      1.927 ppm2      1.619

 ASSI {  333}
   (( segid "   B" and resid 28   and name  HB1 ))
   (( segid "   B" and resid 29   and name  HB2 ))
      4.657     0.931     0.931 peak   333 weight  1.00000E+00 volume  5.19043E+04 ppm1      1.927 ppm2      1.619
!28HB2

 ASSI {   51}
   (( segid "   B" and resid 20   and name  HG  ))
   (  segid "   B" and resid 20   and name  HG1#)
      3.203     0.641     0.641 peak    51 weight  1.00000E+00 volume  2.01547E+05 ppm1      0.895 ppm2      1.990

 ASSI {   51}
   (( segid "   A" and resid 20   and name  HG  ))
   (  segid "   A" and resid 20   and name  HG1#)
      3.203     0.641     0.641 peak    51 weight  1.00000E+00 volume  2.01547E+05 ppm1      0.895 ppm2      1.990
!10HG2#

 ASSI {  341}
   (  segid "   A" and resid 6    and name  HD2#)
   (( segid "   A" and resid 6    and name  HG  ))
      3.256     0.651     0.651 peak   341 weight  1.00000E+00 volume  2.27329E+05 ppm1      1.772 ppm2      0.815

 ASSI {  341}
   (  segid "   B" and resid 6    and name  HD2#)
   (( segid "   B" and resid 6    and name  HG  ))
      3.256     0.651     0.651 peak   341 weight  1.00000E+00 volume  2.27329E+05 ppm1      1.772 ppm2      0.815

 ASSI {   17}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.898     0.780     0.780 peak    17 weight  1.00000E+00 volume  5.06404E+04 ppm1      1.757 ppm2      4.180

 ASSI {   17}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HA  ))
      3.898     0.780     0.780 peak    17 weight  1.00000E+00 volume  5.06404E+04 ppm1      1.757 ppm2      4.180
!4HB1

 ASSI {   90}
   (( segid "   B" and resid 14   and name  HB1 ))
   (  segid "   B" and resid 14   and name  HD1#)
      4.075     0.815     0.815 peak    90 weight  1.00000E+00 volume  8.08280E+04 ppm1      1.914 ppm2      0.799

 ASSI {   90}
   (( segid "   A" and resid 14   and name  HB1 ))
   (  segid "   A" and resid 14   and name  HD1#)
      4.075     0.815     0.815 peak    90 weight  1.00000E+00 volume  8.08280E+04 ppm1      1.914 ppm2      0.799

! ASSI {  203}
!   (( segid "   B" and resid 12   and name  HA  ))
!   (( segid "   B" and resid 15   and name  HN  ))
!      4.849     0.970     0.970 peak   203 weight  1.00000E+00 volume  3.10889E+04 ppm1      4.120 ppm2      7.806

! ASSI {  228}
!   (( segid "   A" and resid 30   and name  HB2 ))
!   (( segid "   A" and resid 6    and name  HB2 ))
!      4.152     0.830     0.830 peak   228 weight  1.00000E+00 volume  6.75996E+04 ppm1      1.998 ppm2      1.430

 ASSI {  302}
   (( segid "   B" and resid 26   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HG ))
      3.873     0.775     0.775 peak   302 weight  1.00000E+00 volume  4.51367E+04 ppm1      1.624 ppm2      1.906

 ASSI {  302}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HG ))
      3.873     0.775     0.775 peak   302 weight  1.00000E+00 volume  4.51367E+04 ppm1      1.624 ppm2      1.906
!26HB2

 ASSI {   87}
   (( segid "   A" and resid 16   and name  HG1 ))
   (( segid "   A" and resid 14   and name  HA  ))
      4.321     0.864     0.864 peak    87 weight  1.00000E+00 volume  2.14589E+04 ppm1      1.919 ppm2      4.030

 ASSI {   87}
   (( segid "   B" and resid 16   and name  HG1 ))
   (( segid "   B" and resid 14   and name  HA  ))
      4.321     0.864     0.864 peak    87 weight  1.00000E+00 volume  2.14589E+04 ppm1      1.919 ppm2      4.030
!14HB1

 ASSI {   38}
   (( segid "   A" and resid 27   and name  HB2 ))
   (  segid "   A" and resid 27   and name  HD1#)
      3.969     0.794     0.794 peak    38 weight  1.00000E+00 volume  7.24454E+04 ppm1      1.252 ppm2      0.809

 ASSI {   38}
   (( segid "   B" and resid 27   and name  HB2 ))
   (  segid "   B" and resid 27   and name  HD1#)
      3.969     0.794     0.794 peak    38 weight  1.00000E+00 volume  7.24454E+04 ppm1      1.252 ppm2      0.809

 ASSI {   99}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.091     0.618     0.618 peak    99 weight  1.00000E+00 volume  6.10907E+04 ppm1      2.337 ppm2      2.144

 ASSI {   99}
   (( segid "   B" and resid 12   and name  HB1 ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.091     0.618     0.618 peak    99 weight  1.00000E+00 volume  6.10907E+04 ppm1      2.337 ppm2      2.144

 ASSI {  252}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HD2 ))
      4.065     0.813     0.813 peak   252 weight  1.00000E+00 volume  6.02513E+04 ppm1      4.138 ppm2      0.884

 ASSI {  252}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HD2 ))
      4.065     0.813     0.813 peak   252 weight  1.00000E+00 volume  6.02513E+04 ppm1      4.138 ppm2      0.884

 ASSI {  139}
   (( segid "   B" and resid 28   and name  HA  ))
   (( segid "   B" and resid 29   and name  HA  ))
      4.004     0.801     0.801 peak   139 weight  1.00000E+00 volume  9.85132E+04 ppm1      3.801 ppm2      4.164

 ASSI {  139}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 29   and name  HA  ))
      4.004     0.801     0.801 peak   139 weight  1.00000E+00 volume  9.85132E+04 ppm1      3.801 ppm2      4.164

 ASSI {   34}
   (( segid "   A" and resid 27   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.333     0.667     0.667 peak    34 weight  1.00000E+00 volume  1.92097E+05 ppm1      3.990 ppm2      1.950

 ASSI {   34}
   (( segid "   B" and resid 27   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HA  ))
      3.333     0.667     0.667 peak    34 weight  1.00000E+00 volume  1.92097E+05 ppm1      3.990 ppm2      1.950
!13HA

 ASSI {   29}
   (( segid "   B" and resid 27   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HA  ))
      4.544     0.909     0.909 peak    29 weight  1.00000E+00 volume  3.82130E+04 ppm1      1.973 ppm2      3.979

 ASSI {   29}
   (( segid "   A" and resid 27   and name  HB1 ))
   (( segid "   B" and resid 27   and name  HA  ))
      4.544     0.909     0.909 peak    29 weight  1.00000E+00 volume  3.82130E+04 ppm1      1.973 ppm2      3.979

 ASSI {  310}
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 5    and name  HG1 ))
      3.818     0.764     0.764 peak   310 weight  1.00000E+00 volume  5.71953E+04 ppm1      1.747 ppm2      2.425

 ASSI {  310}
   (( segid "   B" and resid 5    and name  HB1 ))
   (( segid "   B" and resid 5    and name  HG1 ))
      3.818     0.764     0.764 peak   310 weight  1.00000E+00 volume  5.71953E+04 ppm1      1.747 ppm2      2.425

 ASSI {  110}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   B" and resid 6    and name  HB2 ))
      4.447     0.889     0.889 peak   110 weight  1.00000E+00 volume  3.85830E+04 ppm1      1.467 ppm2      4.162

 ASSI {  110}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.447     0.889     0.889 peak   110 weight  1.00000E+00 volume  3.85830E+04 ppm1      1.467 ppm2      4.162

 ASSI {  271}
   (( segid "   A" and resid 16   and name  HG1 ))
   (( segid "   A" and resid 16   and name  HE2 ))
      4.960     0.992     0.992 peak   271 weight  1.00000E+00 volume  4.48400E+04 ppm1      3.359 ppm2      1.612

 ASSI {  271}
   (( segid "   B" and resid 16   and name  HG1 ))
   (( segid "   B" and resid 16   and name  HE2 ))
      4.960     0.992     0.992 peak   271 weight  1.00000E+00 volume  4.48400E+04 ppm1      3.359 ppm2      1.612
!9HE2

! ASSI {  142}
!   (( segid "   A" and resid 28   and name  HG2 ))
!   (( segid "   A" and resid 28   and name  HB1 ))
!      4.702     0.940     0.940 peak   142 weight  1.00000E+00 volume  3.80881E+04 ppm1      1.656 ppm2      1.252

 ASSI {  136}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HG1 ))
      4.646     0.929     0.929 peak   136 weight  1.00000E+00 volume  3.00268E+04 ppm1      4.135 ppm2      1.428

 ASSI {  136}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HG1 ))
      4.646     0.929     0.929 peak   136 weight  1.00000E+00 volume  3.00268E+04 ppm1      4.135 ppm2      1.428

 ASSI {  100}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      3.941     0.788     0.788 peak   100 weight  1.00000E+00 volume  1.00637E+05 ppm1      4.119 ppm2      2.397

 ASSI {  100}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 12   and name  HG1 ))
      3.941     0.788     0.788 peak   100 weight  1.00000E+00 volume  1.00637E+05 ppm1      4.119 ppm2      2.397

 ASSI {   82}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HA  ))
      4.006     0.801     0.801 peak    82 weight  1.00000E+00 volume  6.39961E+04 ppm1      4.187 ppm2      1.737

 ASSI {   82}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HA  ))
      4.006     0.801     0.801 peak    82 weight  1.00000E+00 volume  6.39961E+04 ppm1      4.187 ppm2      1.737

 ASSI {   76}
   (( segid "   B" and resid 18   and name  HA  ))
   (  segid "   B" and resid 18   and name  HD2 )
      4.420     0.884     0.884 peak    76 weight  1.00000E+00 volume  4.83342E+04 ppm1      4.372 ppm2      7.361

 ASSI {   76}
   (( segid "   A" and resid 18   and name  HA  ))
   (  segid "   A" and resid 18   and name  HD2 )
      4.420     0.884     0.884 peak    76 weight  1.00000E+00 volume  4.83342E+04 ppm1      4.372 ppm2      7.361

! ASSI {   35}
!   (( segid "   B" and resid 27   and name  HB2 ))
!   (( segid "   B" and resid 13   and name  HA  ))
!      4.188     0.838     0.838 peak    35 weight  1.00000E+00 volume  6.79692E+04 ppm1      3.988 ppm2      1.232

 ASSI {  112}
   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   B" and resid 6    and name  HD1#)
      3.779     0.756     0.756 peak   112 weight  1.00000E+00 volume  1.09260E+05 ppm1      4.138 ppm2      0.880

 ASSI {  112}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 6    and name  HD2#)
      3.779     0.756     0.756 peak   112 weight  1.00000E+00 volume  1.09260E+05 ppm1      4.138 ppm2      0.880

 ASSI {   69}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      4.098     0.820     0.820 peak    69 weight  1.00000E+00 volume  6.61844E+04 ppm1      3.447 ppm2      4.343

 ASSI {   69}
   (( segid "   B" and resid 19   and name  HA  ))
   (( segid "   B" and resid 19   and name  HB2 ))
      4.098     0.820     0.820 peak    69 weight  1.00000E+00 volume  6.61844E+04 ppm1      3.447 ppm2      4.343

 ASSI {   37}
   (( segid "   A" and resid 27   and name  HB1 ))
   (  segid "   B" and resid 27   and name  HD1#)
      4.246     0.849     0.849 peak    37 weight  1.00000E+00 volume  4.06285E+04 ppm1      1.971 ppm2      0.800

 ASSI {   37}
   (( segid "   B" and resid 27   and name  HB1 ))
   (  segid "   A" and resid 27   and name  HD1#)
      4.246     0.849     0.849 peak    37 weight  1.00000E+00 volume  4.06285E+04 ppm1      1.971 ppm2      0.800

 ASSI {    6}
   (( segid "   B" and resid 31   and name  HA  ))
   (  segid "   B" and resid 31   and name  HG2#)
      3.592     0.718     0.718 peak     6 weight  1.00000E+00 volume  2.07166E+05 ppm1      4.178 ppm2      0.863

 ASSI {    6}
   (( segid "   A" and resid 31   and name  HA  ))
   (  segid "   A" and resid 31   and name  HG2#)
      3.592     0.718     0.718 peak     6 weight  1.00000E+00 volume  2.07166E+05 ppm1      4.178 ppm2      0.863

 ASSI {  314}
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HA  ))
      4.124     0.825     0.825 peak   314 weight  1.00000E+00 volume  4.03085E+04 ppm1      2.079 ppm2      3.994

 ASSI {  314}
   (( segid "   B" and resid 12   and name  HB2 ))
   (( segid "   B" and resid 13   and name  HA  ))
      4.124     0.825     0.825 peak   314 weight  1.00000E+00 volume  4.03085E+04 ppm1      2.079 ppm2      3.994

 ASSI {  123}
   (( segid "   B" and resid 31   and name  HA  ))
   (( segid "   A" and resid 30   and name  HB1 ))
      4.567     0.913     0.913 peak   123 weight  1.00000E+00 volume  4.62012E+04 ppm1      1.630 ppm2      4.171

 ASSI {  123}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   B" and resid 30   and name  HB1 ))
      4.567     0.913     0.913 peak   123 weight  1.00000E+00 volume  4.62012E+04 ppm1      1.630 ppm2      4.171
!30HA

 ASSI {   84}
   (( segid "   B" and resid 13   and name  HG ))
   (( segid "   B" and resid 16   and name  HG2 ))
      3.794     0.759     0.759 peak    84 weight  1.00000E+00 volume  8.81485E+04 ppm1      1.752 ppm2      1.427

 ASSI {   84}
   (( segid "   A" and resid 13   and name  HG ))
   (( segid "   A" and resid 16   and name  HG2 ))
      3.794     0.759     0.759 peak    84 weight  1.00000E+00 volume  8.81485E+04 ppm1      1.752 ppm2      1.427
!16HB1

 ASSI {   77}
   (( segid "   B" and resid 18   and name  HB2 ))
   (  segid "   B" and resid 18   and name  HE# )
      4.771     0.954     0.954 peak    77 weight  1.00000E+00 volume  5.56840E+04 ppm1      3.186 ppm2      7.088

 ASSI {   77}
   (( segid "   A" and resid 18   and name  HB2 ))
   (  segid "   A" and resid 18   and name  HE# )
      4.771     0.954     0.954 peak    77 weight  1.00000E+00 volume  5.56840E+04 ppm1      3.186 ppm2      7.088

 ASSI {   15}
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HA  ))
      3.552     0.710     0.710 peak    15 weight  1.00000E+00 volume  1.44881E+05 ppm1      4.153 ppm2      1.919

 ASSI {   15}
   (( segid "   B" and resid 29   and name  HB2 ))
   (( segid "   B" and resid 29   and name  HA  ))
      3.552     0.710     0.710 peak    15 weight  1.00000E+00 volume  1.44881E+05 ppm1      4.153 ppm2      1.919

 ASSI {   57}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.986     0.797     0.797 peak    57 weight  1.00000E+00 volume  3.55298E+04 ppm1      2.738 ppm2      4.391

 ASSI {   57}
   (( segid "   B" and resid 22   and name  HB1 ))
   (( segid "   B" and resid 22   and name  HA  ))
      3.986     0.797     0.797 peak    57 weight  1.00000E+00 volume  3.55298E+04 ppm1      2.738 ppm2      4.391

 ASSI {  101}
   (( segid "   B" and resid 12   and name  HA  ))
   (( segid "   B" and resid 12   and name  HG1 ))
      4.151     0.830     0.830 peak   101 weight  1.00000E+00 volume  3.48520E+04 ppm1      2.363 ppm2      4.118

 ASSI {  101}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HG1 ))
      4.151     0.830     0.830 peak   101 weight  1.00000E+00 volume  3.48520E+04 ppm1      2.363 ppm2      4.118

 ASSI {   47}
   (  segid "   B" and resid 24   and name  HG2#)
   (( segid "   B" and resid 24   and name  HA  ))
      3.132     0.626     0.626 peak    47 weight  1.00000E+00 volume  3.27519E+05 ppm1      3.387 ppm2      0.867

 ASSI {   47}
   (  segid "   A" and resid 24   and name  HG2#)
   (( segid "   A" and resid 24   and name  HA  ))
      3.132     0.626     0.626 peak    47 weight  1.00000E+00 volume  3.27519E+05 ppm1      3.387 ppm2      0.867
!10HA

 ASSI {  189}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HA  ))
      4.393     0.879     0.879 peak   189 weight  1.00000E+00 volume  5.79288E+04 ppm1      4.043 ppm2      2.705

 ASSI {  189}
   (( segid "   B" and resid 17   and name  HB1 ))
   (( segid "   B" and resid 14   and name  HA  ))
      4.393     0.879     0.879 peak   189 weight  1.00000E+00 volume  5.79288E+04 ppm1      4.043 ppm2      2.705

 ASSI {  104}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 11   and name  HG1 ))
      3.573     0.715     0.715 peak   104 weight  1.00000E+00 volume  7.53937E+04 ppm1      4.017 ppm2      2.158

 ASSI {  104}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HG1 ))
      3.573     0.715     0.715 peak   104 weight  1.00000E+00 volume  7.53937E+04 ppm1      4.017 ppm2      2.158

! ASSI {  159}
!   (( segid "   A" and resid 23   and name  HG1 ))
!   (( segid "   A" and resid 27   and name  HN  ))
!      4.742     0.948     0.948 peak   159 weight  1.00000E+00 volume  3.33110E+04 ppm1      2.056 ppm2      8.448

 ASSI {  244}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HD2 ))
      4.194     0.839     0.839 peak   244 weight  1.00000E+00 volume  3.94142E+04 ppm1      1.761 ppm2      0.861

 ASSI {  244}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HD2 ))
      4.194     0.839     0.839 peak   244 weight  1.00000E+00 volume  3.94142E+04 ppm1      1.761 ppm2      0.861

 ASSI {  331}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HE2 ))
      4.560     0.912     0.912 peak   331 weight  1.00000E+00 volume  4.41941E+04 ppm1      1.639 ppm2      3.158

 ASSI {  331}
   (( segid "   B" and resid 28   and name  HB1 ))
   (( segid "   B" and resid 28   and name  HE2 ))
      4.560     0.912     0.912 peak   331 weight  1.00000E+00 volume  4.41941E+04 ppm1      1.639 ppm2      3.158

 ASSI {   61}
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.856     0.771     0.771 peak    61 weight  1.00000E+00 volume  1.26329E+05 ppm1      4.002 ppm2      2.153

 ASSI {   61}
   (( segid "   B" and resid 21   and name  HB1 ))
   (( segid "   B" and resid 21   and name  HA  ))
      3.856     0.771     0.771 peak    61 weight  1.00000E+00 volume  1.26329E+05 ppm1      4.002 ppm2      2.153

 ASSI {  218}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HA  ))
      4.279     0.856     0.856 peak   218 weight  1.00000E+00 volume  7.83458E+04 ppm1      4.186 ppm2      1.695

 ASSI {  218}
   (( segid "   B" and resid 28   and name  HB1 ))
   (( segid "   B" and resid 29   and name  HA  ))
      4.279     0.856     0.856 peak   218 weight  1.00000E+00 volume  7.83458E+04 ppm1      4.186 ppm2      1.695
!9HB1

 ASSI {  222}
   (( segid "   A" and resid 16   and name  HG1 ))
   (( segid "   A" and resid 16   and name  HE2 ))
      4.567     0.913     0.913 peak   222 weight  1.00000E+00 volume  5.17062E+04 ppm1      3.066 ppm2      1.611

 ASSI {  222}
   (( segid "   B" and resid 16   and name  HG1 ))
   (( segid "   B" and resid 16   and name  HE2 ))
      4.567     0.913     0.913 peak   222 weight  1.00000E+00 volume  5.17062E+04 ppm1      3.066 ppm2      1.611
!9HE1

 ASSI {   55}
   (( segid "   B" and resid 26   and name  HG2 ))
   (( segid "   B" and resid 23   and name  HA  ))
      4.002     0.800     0.800 peak    55 weight  1.00000E+00 volume  5.43516E+04 ppm1      2.077 ppm2      4.339

 ASSI {   55}
   (( segid "   A" and resid 26   and name  HG2 ))
   (( segid "   A" and resid 23   and name  HA  ))
      4.002     0.800     0.800 peak    55 weight  1.00000E+00 volume  5.43516E+04 ppm1      2.077 ppm2      4.339
!23HB2

 ASSI {  114}
   (( segid "   A" and resid 14   and name  HB2 ))
   (  segid "   B" and resid 13   and name  HD1#)
      3.587     0.717     0.717 peak   114 weight  1.00000E+00 volume  1.42101E+05 ppm1      0.884 ppm2      1.432

 ASSI {  114}
   (( segid "   B" and resid 14   and name  HB2 ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.587     0.717     0.717 peak   114 weight  1.00000E+00 volume  1.42101E+05 ppm1      0.884 ppm2      1.432
!6HD!#

 ASSI {  134}
   (( segid "   A" and resid 30   and name  HB1 ))
   (  segid "   B" and resid 31   and name  HG2#)
      4.297     0.859     0.859 peak   134 weight  1.00000E+00 volume  4.90676E+04 ppm1      1.629 ppm2      0.832

 ASSI {  134}
   (( segid "   B" and resid 30   and name  HB1 ))
   (  segid "   A" and resid 31   and name  HG2#)
      4.297     0.859     0.859 peak   134 weight  1.00000E+00 volume  4.90676E+04 ppm1      1.629 ppm2      0.832
!10HG2#

 ASSI {   19}
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HG2 ))
      3.744     0.749     0.749 peak    19 weight  1.00000E+00 volume  1.09759E+05 ppm1      1.435 ppm2      1.965

 ASSI {   19}
   (( segid "   B" and resid 29   and name  HB2 ))
   (( segid "   B" and resid 29   and name  HG2 ))
      3.744     0.749     0.749 peak    19 weight  1.00000E+00 volume  1.09759E+05 ppm1      1.435 ppm2      1.965

!new 

! ASSI {  352}
!   (( segid "   A" and resid 2    and name  HG  ))
!   (( segid "   A" and resid 2    and name  HB2 ))
!      4.698     0.940     0.940 peak   352 weight  1.00000E+00 volume  3.39787E+04 ppm1      4.127 ppm2      2.045

 ASSI {  356}
   (( segid "   B" and resid 4    and name  HB1 ))
   (( segid "   B" and resid 4    and name  HD2 ))
      3.411     0.682     0.682 peak   356 weight  1.00000E+00 volume  9.09808E+04 ppm1      0.916 ppm2      1.728

 ASSI {  356}
   (( segid "   A" and resid 4    and name  HB1 ))
   (( segid "   A" and resid 4    and name  HD2 ))
      3.411     0.682     0.682 peak   356 weight  1.00000E+00 volume  9.09808E+04 ppm1      0.916 ppm2      1.728

 ASSI {  357}
   (( segid "   B" and resid 4    and name  HD2 ))
   (( segid "   B" and resid 4    and name  HE1 ))
      4.028     0.806     0.806 peak   357 weight  1.00000E+00 volume  4.14606E+04 ppm1      0.918 ppm2      3.319

 ASSI {  357}
   (( segid "   A" and resid 4    and name  HD2 ))
   (( segid "   A" and resid 4    and name  HE1 ))
      4.028     0.806     0.806 peak   357 weight  1.00000E+00 volume  4.14606E+04 ppm1      0.918 ppm2      3.319

 ASSI {  359}
   (( segid "   B" and resid 6    and name  HA  ))
   (( segid "   B" and resid 6    and name  HB1 ))
      3.449     0.690     0.690 peak   359 weight  1.00000E+00 volume  1.01697E+05 ppm1      4.136 ppm2      1.984

 ASSI {  359}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB1 ))
      3.449     0.690     0.690 peak   359 weight  1.00000E+00 volume  1.01697E+05 ppm1      4.136 ppm2      1.984

! ASSI {  360}
!   (( segid "   B" and resid 6    and name  HA  ))
!   (( segid "   B" and resid 30   and name  HB2 ))
!      4.440     0.888     0.888 peak   360 weight  1.00000E+00 volume  4.44649E+04 ppm1      1.997 ppm2      4.153

 ASSI {  362}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 6    and name  HD2#)
      3.886     0.777     0.777 peak   362 weight  1.00000E+00 volume  1.18252E+05 ppm1      0.878 ppm2      4.163

 ASSI {  362}
   (( segid "   B" and resid 6    and name  HA  ))
   (  segid "   B" and resid 6    and name  HD2#)
      3.886     0.777     0.777 peak   362 weight  1.00000E+00 volume  1.18252E+05 ppm1      0.878 ppm2      4.163

 ASSI {  364}
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 7    and name  HG2 ))
      3.457     0.691     0.691 peak   364 weight  1.00000E+00 volume  1.15446E+05 ppm1      2.096 ppm2      2.491

 ASSI {  364}
   (( segid "   B" and resid 7    and name  HB2 ))
   (( segid "   B" and resid 7    and name  HG2 ))
      3.457     0.691     0.691 peak   364 weight  1.00000E+00 volume  1.15446E+05 ppm1      2.096 ppm2      2.491

 ASSI {  367}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.963     0.793     0.793 peak   367 weight  1.00000E+00 volume  6.90013E+04 ppm1      3.391 ppm2      4.189

 ASSI {  367}
   (( segid "   B" and resid 9    and name  HA  ))
   (( segid "   B" and resid 10   and name  HA  ))
      3.963     0.793     0.793 peak   367 weight  1.00000E+00 volume  6.90013E+04 ppm1      3.391 ppm2      4.189

 ASSI {  368}
   (( segid "   B" and resid 7    and name  HA  ))
   (( segid "   B" and resid 10   and name  HA  ))
      3.761     0.752     0.752 peak   368 weight  1.00000E+00 volume  1.03198E+05 ppm1      3.388 ppm2      3.911

 ASSI {  368}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.761     0.752     0.752 peak   368 weight  1.00000E+00 volume  1.03198E+05 ppm1      3.388 ppm2      3.911

 ASSI {  372}
   (( segid "   B" and resid 10   and name  HA  ))
   (  segid "   B" and resid 10   and name  HG1#)
      3.756     0.751     0.751 peak   372 weight  1.00000E+00 volume  7.06992E+04 ppm1      1.046 ppm2      3.402

 ASSI {  372}
   (( segid "   A" and resid 10   and name  HA  ))
   (  segid "   A" and resid 10   and name  HG1#)
      3.756     0.751     0.751 peak   372 weight  1.00000E+00 volume  7.06992E+04 ppm1      1.046 ppm2      3.402

 ASSI {  374}
   (  segid "   A" and resid 10   and name  HG1#)
   (( segid "   A" and resid 8    and name  HA  ))
      4.129     0.826     0.826 peak   374 weight  1.00000E+00 volume  7.35579E+04 ppm1      1.044 ppm2      4.343

 ASSI {  374}
   (  segid "   B" and resid 10   and name  HG1#)
   (( segid "   B" and resid 8    and name  HA  ))
      4.129     0.826     0.826 peak   374 weight  1.00000E+00 volume  7.35579E+04 ppm1      1.044 ppm2      4.343

 ASSI {  375}
   (( segid "   B" and resid 11   and name  HA  ))
   (( segid "   B" and resid 11   and name  HG2 ))
      4.614     0.923     0.923 peak   375 weight  1.00000E+00 volume  4.23601E+04 ppm1      4.012 ppm2      2.442

 ASSI {  375}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HG2 ))
      4.614     0.923     0.923 peak   375 weight  1.00000E+00 volume  4.23601E+04 ppm1      4.012 ppm2      2.442

 ASSI {  376}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 11   and name  HG2 ))
      3.066     0.613     0.613 peak   376 weight  1.00000E+00 volume  2.24896E+05 ppm1      2.191 ppm2      2.458

 ASSI {  376}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HG2 ))
      3.066     0.613     0.613 peak   376 weight  1.00000E+00 volume  2.24896E+05 ppm1      2.191 ppm2      2.458

 ASSI {  377}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.731     0.746     0.746 peak   377 weight  1.00000E+00 volume  1.09527E+05 ppm1      2.187 ppm2      4.013

 ASSI {  377}
   (( segid "   B" and resid 11   and name  HB2 ))
   (( segid "   B" and resid 11   and name  HA  ))
      3.731     0.746     0.746 peak   377 weight  1.00000E+00 volume  1.09527E+05 ppm1      2.187 ppm2      4.013

 ASSI {  378}
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 8    and name  HA  ))
      3.902     0.780     0.780 peak   378 weight  1.00000E+00 volume  4.87588E+04 ppm1      2.080 ppm2      4.344

 ASSI {  378}
   (( segid "   B" and resid 12   and name  HB2 ))
   (( segid "   B" and resid 8    and name  HA  ))
      3.902     0.780     0.780 peak   378 weight  1.00000E+00 volume  4.87588E+04 ppm1      2.080 ppm2      4.344

 ASSI {  379}
   (( segid "   B" and resid 12   and name  HB1 ))
   (( segid "   B" and resid 8    and name  HA  ))
      3.810     0.762     0.762 peak   379 weight  1.00000E+00 volume  6.23342E+04 ppm1      2.184 ppm2      4.363

 ASSI {  379}
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 8    and name  HA  ))
      3.810     0.762     0.762 peak   379 weight  1.00000E+00 volume  6.23342E+04 ppm1      2.184 ppm2      4.363

 ASSI {  380}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HG  ))
      3.319     0.664     0.664 peak   380 weight  1.00000E+00 volume  1.83065E+05 ppm1      3.993 ppm2      1.908

 ASSI {  380}
   (( segid "   B" and resid 13   and name  HA  ))
   (( segid "   B" and resid 13   and name  HG  ))
      3.319     0.664     0.664 peak   380 weight  1.00000E+00 volume  1.83065E+05 ppm1      3.993 ppm2      1.908

! ASSI {  383}
!   (( segid "   B" and resid 13   and name  HB2 ))
!   (( segid "   B" and resid 12   and name  HG1 ))
!      4.384     0.877     0.877 peak   383 weight  1.00000E+00 volume  4.12411E+04 ppm1      1.269 ppm2      2.373

 ASSI {  385}
   (( segid "   A" and resid 13   and name  HB2 ))
   (  segid "   A" and resid 10   and name  HG2#)
      3.467     0.693     0.693 peak   385 weight  1.00000E+00 volume  2.01615E+05 ppm1      0.912 ppm2      1.250

 ASSI {  385}
   (( segid "   B" and resid 13   and name  HB2 ))
   (  segid "   B" and resid 10   and name  HG2#)
      3.467     0.693     0.693 peak   385 weight  1.00000E+00 volume  2.01615E+05 ppm1      0.912 ppm2      1.250

 ASSI {  387}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HG  ))
      3.434     0.687     0.687 peak   387 weight  1.00000E+00 volume  1.12331E+05 ppm1      4.041 ppm2      1.764

 ASSI {  387}
   (( segid "   B" and resid 14   and name  HA  ))
   (( segid "   B" and resid 14   and name  HG  ))
      3.434     0.687     0.687 peak   387 weight  1.00000E+00 volume  1.12331E+05 ppm1      4.041 ppm2      1.764

 ASSI {  388}
   (( segid "   B" and resid 14   and name  HB1 ))
   (  segid "   B" and resid 14   and name  HD1#)
      3.413     0.683     0.683 peak   388 weight  1.00000E+00 volume  1.71328E+05 ppm1      0.803 ppm2      1.875

 ASSI {  388}
   (( segid "   A" and resid 14   and name  HB1 ))
   (  segid "   A" and resid 14   and name  HD1#)
      3.413     0.683     0.683 peak   388 weight  1.00000E+00 volume  1.71328E+05 ppm1      0.803 ppm2      1.875

 ASSI {  389}
   (( segid "   B" and resid 14   and name  HA  ))
   (  segid "   B" and resid 14   and name  HD1#)
      3.680     0.736     0.736 peak   389 weight  1.00000E+00 volume  8.68122E+04 ppm1      0.803 ppm2      4.065

 ASSI {  389}
   (( segid "   A" and resid 14   and name  HA  ))
   (  segid "   A" and resid 14   and name  HD1#)
      3.680     0.736     0.736 peak   389 weight  1.00000E+00 volume  8.68122E+04 ppm1      0.803 ppm2      4.065

 ASSI {  390}
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HD2 ))
      4.874     0.975     0.975 peak   390 weight  1.00000E+00 volume  5.51082E+04 ppm1      4.002 ppm2      0.788

 ASSI {  390}
   (( segid "   B" and resid 15   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HD2 ))
      4.874     0.975     0.975 peak   390 weight  1.00000E+00 volume  5.51082E+04 ppm1      4.002 ppm2      0.788

 ASSI {  392}
   (( segid "   B" and resid 20   and name  HG  ))
   (( segid "   B" and resid 16   and name  HA  ))
      4.642     0.928     0.928 peak   392 weight  1.00000E+00 volume  7.84576E+04 ppm1      4.185 ppm2      2.065

 ASSI {  392}
   (( segid "   A" and resid 20   and name  HG  ))
   (( segid "   A" and resid 16   and name  HA  ))
      4.642     0.928     0.928 peak   392 weight  1.00000E+00 volume  7.84576E+04 ppm1      4.185 ppm2      2.065

 ASSI {  395}
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 16   and name  HG1 ))
      3.950     0.790     0.790 peak   395 weight  1.00000E+00 volume  5.43064E+04 ppm1      1.406 ppm2      1.945

 ASSI {  395}
   (( segid "   B" and resid 16   and name  HB2 ))
   (( segid "   B" and resid 16   and name  HG1 ))
      3.950     0.790     0.790 peak   395 weight  1.00000E+00 volume  5.43064E+04 ppm1      1.406 ppm2      1.945

 ASSI {  396}
   (( segid "   A" and resid 16   and name  HG1 ))
   (( segid "   A" and resid 16   and name  HE2 ))
      4.327     0.865     0.865 peak   396 weight  1.00000E+00 volume  5.09254E+04 ppm1      1.642 ppm2      3.339

 ASSI {  396}
   (( segid "   B" and resid 16   and name  HG1 ))
   (( segid "   B" and resid 16   and name  HE2 ))
      4.327     0.865     0.865 peak   396 weight  1.00000E+00 volume  5.09254E+04 ppm1      1.642 ppm2      3.339

 ASSI {  397}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  HG1 ))
      4.334     0.867     0.867 peak   397 weight  1.00000E+00 volume  4.93233E+04 ppm1      1.663 ppm2      4.167

 ASSI {  397}
   (( segid "   B" and resid 16   and name  HA  ))
   (( segid "   B" and resid 16   and name  HG1 ))
      4.334     0.867     0.867 peak   397 weight  1.00000E+00 volume  4.93233E+04 ppm1      1.663 ppm2      4.167

 ASSI {  398}
   (( segid "   B" and resid 16   and name  HB1 ))
   (( segid "   B" and resid 16   and name  HG1 ))
      3.298     0.660     0.660 peak   398 weight  1.00000E+00 volume  2.87267E+04 ppm1      1.646 ppm2      1.716

 ASSI {  398}
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HG1 ))
      3.298     0.660     0.660 peak   398 weight  1.00000E+00 volume  2.87267E+04 ppm1      1.646 ppm2      1.716

 ASSI {  404}
   (( segid "   A" and resid 16   and name  HE1 ))
   (( segid "   A" and resid 17   and name  HD21))
      4.458     0.892     0.892 peak   404 weight  1.00000E+00 volume  6.58721E+04 ppm1      2.984 ppm2      6.522

 ASSI {  404}
   (( segid "   B" and resid 16   and name  HE1 ))
   (( segid "   B" and resid 17   and name  HD21))
      4.458     0.892     0.892 peak   404 weight  1.00000E+00 volume  6.58721E+04 ppm1      2.984 ppm2      6.522

 ASSI {  405}
   (( segid "   B" and resid 17   and name  HA  ))
   (( segid "   B" and resid 21   and name  HN  ))
      4.267     0.853     0.853 peak   405 weight  1.00000E+00 volume  6.86230E+04 ppm1      4.365 ppm2      8.889

 ASSI {  405}
   (( segid "   A" and resid 17   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.267     0.853     0.853 peak   405 weight  1.00000E+00 volume  6.86230E+04 ppm1      4.365 ppm2      8.889

 ASSI {  406}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HB1 ))
      4.574     0.915     0.915 peak   406 weight  1.00000E+00 volume  9.32485E+04 ppm1      3.256 ppm2      2.709

 ASSI {  406}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 17   and name  HB1 ))
      4.574     0.915     0.915 peak   406 weight  1.00000E+00 volume  9.32485E+04 ppm1      3.256 ppm2      2.709

 ASSI {  407}
   (( segid "   B" and resid 18   and name  HA  ))
   (( segid "   B" and resid 18   and name  HB1 ))
      4.267     0.853     0.853 peak   407 weight  1.00000E+00 volume  3.83520E+04 ppm1      3.265 ppm2      4.385

 ASSI {  407}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  HB1 ))
      4.267     0.853     0.853 peak   407 weight  1.00000E+00 volume  3.83520E+04 ppm1      3.265 ppm2      4.385

 ASSI {  408}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 19   and name  HA  ))
      4.495     0.899     0.899 peak   408 weight  1.00000E+00 volume  5.43684E+04 ppm1      4.355 ppm2      2.796

 ASSI {  408}
   (( segid "   B" and resid 22   and name  HB1 ))
   (( segid "   B" and resid 19   and name  HA  ))
      4.495     0.899     0.899 peak   408 weight  1.00000E+00 volume  5.43684E+04 ppm1      4.355 ppm2      2.796

 ASSI {  410}
   (( segid "   A" and resid 20   and name  HB2 ))
   (  segid "   A" and resid 20   and name  HD2#)
      4.026     0.805     0.805 peak   410 weight  1.00000E+00 volume  8.21877E+04 ppm1      1.953 ppm2      0.795

 ASSI {  410}
   (( segid "   B" and resid 20   and name  HB2 ))
   (  segid "   B" and resid 20   and name  HD2#)
      4.026     0.805     0.805 peak   410 weight  1.00000E+00 volume  8.21877E+04 ppm1      1.953 ppm2      0.795

 ASSI {  411}
   (( segid "   B" and resid 20   and name  HA  ))
   (  segid "   B" and resid 20   and name  HD2#)
      3.698     0.740     0.740 peak   411 weight  1.00000E+00 volume  5.55726E+04 ppm1      0.799 ppm2      4.059

 ASSI {  411}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 20   and name  HD2#)
      3.698     0.740     0.740 peak   411 weight  1.00000E+00 volume  5.55726E+04 ppm1      0.799 ppm2      4.059

 ASSI {  413}
   (( segid "   A" and resid 20   and name  HB2 ))
   (  segid "   A" and resid 20   and name  HD2#)
      3.612     0.722     0.722 peak   413 weight  1.00000E+00 volume  4.37347E+04 ppm1      0.801 ppm2      1.985

 ASSI {  413}
   (( segid "   B" and resid 20   and name  HB2 ))
   (  segid "   B" and resid 20   and name  HD2#)
      3.612     0.722     0.722 peak   413 weight  1.00000E+00 volume  4.37347E+04 ppm1      0.801 ppm2      1.985

 ASSI {  414}
   (( segid "   A" and resid 21   and name  HG1 ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.286     0.657     0.657 peak   414 weight  1.00000E+00 volume  1.70737E+05 ppm1      2.095 ppm2      2.456

 ASSI {  414}
   (( segid "   B" and resid 21   and name  HG1 ))
   (( segid "   B" and resid 21   and name  HB1 ))
      3.286     0.657     0.657 peak   414 weight  1.00000E+00 volume  1.70737E+05 ppm1      2.095 ppm2      2.456

! ASSI {  416}
!   (( segid "   A" and resid 22   and name  HA  ))
!   (( segid "   A" and resid 22   and name  HN  ))
!      4.314     0.863     0.863 peak   416 weight  1.00000E+00 volume  3.01535E+04 ppm1      4.431 ppm2      7.769

 ASSI {  419}
   (( segid "   A" and resid 23   and name  HG2 ))
   (( segid "   A" and resid 23   and name  HB1 ))
      3.934     0.787     0.787 peak   419 weight  1.00000E+00 volume  3.55280E+04 ppm1      2.205 ppm2      2.703

 ASSI {  419}
   (( segid "   B" and resid 23   and name  HG2 ))
   (( segid "   B" and resid 23   and name  HB1 ))
      3.934     0.787     0.787 peak   419 weight  1.00000E+00 volume  3.55280E+04 ppm1      2.205 ppm2      2.703

 ASSI {  420}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 24   and name  HG2#)
      3.480     0.696     0.696 peak   420 weight  1.00000E+00 volume  1.64312E+05 ppm1      0.874 ppm2      3.344

 ASSI {  420}
   (( segid "   B" and resid 24   and name  HA  ))
   (  segid "   B" and resid 24   and name  HG2#)
      3.480     0.696     0.696 peak   420 weight  1.00000E+00 volume  1.64312E+05 ppm1      0.874 ppm2      3.344

 ASSI {  421}
   (( segid "   A" and resid 24   and name  HB  ))
   (  segid "   A" and resid 24   and name  HG2#)
      3.167     0.633     0.633 peak   421 weight  1.00000E+00 volume  1.79892E+05 ppm1      0.878 ppm2      2.019

 ASSI {  421}
   (( segid "   B" and resid 24   and name  HB  ))
   (  segid "   B" and resid 24   and name  HG2#)
      3.167     0.633     0.633 peak   421 weight  1.00000E+00 volume  1.79892E+05 ppm1      0.878 ppm2      2.019

 ASSI {  428}
   (( segid "   B" and resid 27   and name  HB2 ))
   (  segid "   B" and resid 27   and name  HD1#)
      3.643     0.729     0.729 peak   428 weight  1.00000E+00 volume  1.04940E+05 ppm1      0.803 ppm2      1.238

 ASSI {  428}
   (( segid "   A" and resid 27   and name  HB2 ))
   (  segid "   A" and resid 27   and name  HD1#)
      3.643     0.729     0.729 peak   428 weight  1.00000E+00 volume  1.04940E+05 ppm1      0.803 ppm2      1.238

 ASSI {  430}
   (( segid "   B" and resid 27   and name  HA  ))
   (  segid "   B" and resid 27   and name  HD1#)
      3.636     0.727     0.727 peak   430 weight  1.00000E+00 volume  1.65656E+05 ppm1      0.805 ppm2      3.983

 ASSI {  430}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 27   and name  HD1#)
      3.636     0.727     0.727 peak   430 weight  1.00000E+00 volume  1.65656E+05 ppm1      0.805 ppm2      3.983

 ASSI {  432}
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HD1 ))
      4.124     0.825     0.825 peak   432 weight  1.00000E+00 volume  3.58245E+04 ppm1      1.898 ppm2      0.802

 ASSI {  433}
   (( segid "   A" and resid 29   and name  HG2 ))
   (( segid "   A" and resid 29   and name  HD2 ))
      3.687     0.737     0.737 peak   433 weight  1.00000E+00 volume  6.87478E+04 ppm1      0.925 ppm2      1.437

 ASSI {  433}
   (( segid "   B" and resid 29   and name  HG2 ))
   (( segid "   B" and resid 29   and name  HD2 ))
      3.687     0.737     0.737 peak   433 weight  1.00000E+00 volume  6.87478E+04 ppm1      0.925 ppm2      1.437

 ASSI {  434}
   (( segid "   B" and resid 29   and name  HB2 ))
   (( segid "   B" and resid 29   and name  HD2 ))
      3.178     0.636     0.636 peak   434 weight  1.00000E+00 volume  1.15135E+05 ppm1      0.921 ppm2      1.703

 ASSI {  434}
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HD2 ))
      3.178     0.636     0.636 peak   434 weight  1.00000E+00 volume  1.15135E+05 ppm1      0.921 ppm2      1.703

 ASSI {  435}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HD2 ))
      3.958     0.792     0.792 peak   435 weight  1.00000E+00 volume  5.88072E+04 ppm1      0.925 ppm2      4.167

 ASSI {  435}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HD2 ))
      3.958     0.792     0.792 peak   435 weight  1.00000E+00 volume  5.88072E+04 ppm1      0.925 ppm2      4.167

 ASSI {  436}
   (( segid "   A" and resid 29   and name  HG1 ))
   (( segid "   A" and resid 29   and name  HE1 ))
      3.990     0.798     0.798 peak   436 weight  1.00000E+00 volume  6.65392E+04 ppm1      2.866 ppm2      1.607

 ASSI {  436}
   (( segid "   B" and resid 29   and name  HG1 ))
   (( segid "   B" and resid 29   and name  HE1 ))
      3.990     0.798     0.798 peak   436 weight  1.00000E+00 volume  6.65392E+04 ppm1      2.866 ppm2      1.607

 ASSI {  437}
   (( segid "   B" and resid 29   and name  HA  ))
   (( segid "   B" and resid 29   and name  HE1 ))
      4.036     0.807     0.807 peak   437 weight  1.00000E+00 volume  6.06631E+04 ppm1      2.847 ppm2      4.166

 ASSI {  437}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HE1 ))
      4.036     0.807     0.807 peak   437 weight  1.00000E+00 volume  6.06631E+04 ppm1      2.847 ppm2      4.166

 ASSI {  439}
   (  segid "   B" and resid 30   and name  HD1#)
   (( segid "   B" and resid 30   and name  HB2 ))
      3.069     0.614     0.614 peak   439 weight  1.00000E+00 volume  2.58592E+05 ppm1      0.896 ppm2      1.619

 ASSI {  439}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 30   and name  HB2 ))
      3.069     0.614     0.614 peak   439 weight  1.00000E+00 volume  2.58592E+05 ppm1      0.896 ppm2      1.619

 ASSI {  440}
   (  segid "   B" and resid 30   and name  HD1#)
   (( segid "   B" and resid 29   and name  HG1 ))
      3.249     0.650     0.650 peak   440 weight  1.00000E+00 volume  1.96698E+05 ppm1      0.898 ppm2      1.427

 ASSI {  440}
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 29   and name  HG1 ))
      3.249     0.650     0.650 peak   440 weight  1.00000E+00 volume  1.96698E+05 ppm1      0.898 ppm2      1.427

 ASSI {  441}
   (( segid "   A" and resid 30   and name  HA  ))
   (  segid "   A" and resid 30   and name  HD1#)
      3.220     0.644     0.644 peak   441 weight  1.00000E+00 volume  2.12958E+05 ppm1      0.890 ppm2      4.166

 ASSI {  441}
   (( segid "   B" and resid 30   and name  HA  ))
   (  segid "   B" and resid 30   and name  HD1#)
      3.220     0.644     0.644 peak   441 weight  1.00000E+00 volume  2.12958E+05 ppm1      0.890 ppm2      4.166

 ASSI {  442}
   (  segid "   A" and resid 31   and name  HG2#)
   (( segid "   A" and resid 30   and name  HB1 ))
      3.659     0.732     0.732 peak   442 weight  1.00000E+00 volume  5.84453E+04 ppm1      0.917 ppm2      1.972

 ASSI {  442}
   (  segid "   B" and resid 31   and name  HG2#)
   (( segid "   B" and resid 30   and name  HB1 ))
      3.659     0.732     0.732 peak   442 weight  1.00000E+00 volume  5.84453E+04 ppm1      0.917 ppm2      1.972

 ASSI {  446}
   (( segid "   B" and resid 33   and name  HA  ))
   (( segid "   B" and resid 33   and name  HB2 ))
      4.149     0.830     0.830 peak   446 weight  1.00000E+00 volume  5.10595E+04 ppm1      4.236 ppm2      2.254

 ASSI {  446}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HB2 ))
      4.149     0.830     0.830 peak   446 weight  1.00000E+00 volume  5.10595E+04 ppm1      4.236 ppm2      2.254

! ASSI {  447}
!   (( segid "   A" and resid 33   and name  HA  ))
!   (( segid "   A" and resid 33   and name  HN  ))
!      4.741     0.948     0.948 peak   447 weight  1.00000E+00 volume  3.74347E+04 ppm1      4.214 ppm2      7.907

 ASSI {  372}
   (  segid "   A" and resid 16   and name  HD1)
   (( segid "   A" and resid 17   and name  HD22))
      2.781     0.556     0.556 peak   372 weight  1.00000E+00 volume  1.10100E+06 ppm1      7.670 ppm2      0.866

 ASSI {  372}
   (  segid "   B" and resid 16   and name  HD1)
   (( segid "   B" and resid 17   and name  HD22))
      2.781     0.556     0.556 peak   372 weight  1.00000E+00 volume  1.10100E+06 ppm1      7.670 ppm2      0.866

 ASSI {  381}
   (( segid "   B" and resid 16   and name  HD2 ))
   (( segid "   B" and resid 17   and name  HD21))
      3.790     0.758     0.758 peak   381 weight  1.00000E+00 volume  4.82474E+04 ppm1      6.512 ppm2      0.853

 ASSI {  381}
   (( segid "   A" and resid 16   and name  HD2 ))
   (( segid "   A" and resid 17   and name  HD21))
      3.790     0.758     0.758 peak   381 weight  1.00000E+00 volume  4.82474E+04 ppm1      6.512 ppm2      0.853

 ASSI {  383}
   (( segid "   B" and resid 17   and name  HB2 ))
   (( segid "   B" and resid 17   and name  HD22))
      3.948     0.790     0.790 peak   383 weight  1.00000E+00 volume  1.75289E+04 ppm1      7.629 ppm2      3.233

 ASSI {  383}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HD22))
      3.948     0.790     0.790 peak   383 weight  1.00000E+00 volume  1.75289E+04 ppm1      7.629 ppm2      3.233

 ASSI {  384}
   (( segid "   A" and resid 16   and name  HD2 ))
   (( segid "   A" and resid 17   and name  HD22))
      3.600     0.720     0.720 peak   384 weight  1.00000E+00 volume  9.09975E+04 ppm1      7.628 ppm2      0.824

 ASSI {  384}
   (( segid "   B" and resid 16   and name  HD2 ))
   (( segid "   B" and resid 17   and name  HD22))
      3.600     0.720     0.720 peak   384 weight  1.00000E+00 volume  9.09975E+04 ppm1      7.628 ppm2      0.824
!end new

set message=off echo=off end
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -23.637  -7.703  -5.827
    2    H2   GLY   1           HT2      GLY   1 -23.075  -7.729  -4.234
    3    H3   GLY   1           HT3      GLY   1 -22.104  -7.086  -5.462
    4    HA2  GLY   1           HA1      GLY   1 -23.677  -5.297  -5.816
    5    HA3  GLY   1           HA2      GLY   1 -24.694  -5.968  -4.549
    6    H    SER   2           HN       SER   2 -22.994  -3.443  -5.028
    7    HA   SER   2           HA       SER   2 -21.673  -2.004  -3.872
    8    HB2  SER   2           HB2      SER   2 -22.627  -1.529  -1.585
    9    HB3  SER   2           HB1      SER   2 -23.777  -1.504  -2.923
   10    HG   SER   2           HG       SER   2 -24.776  -3.176  -2.102
   11    H    MET   3           HN       MET   3 -22.200  -3.957  -1.003
   12    HA   MET   3           HA       MET   3 -19.778  -3.439   0.159
   13    HB2  MET   3           HB2      MET   3 -21.713  -5.696   0.478
   14    HB3  MET   3           HB1      MET   3 -20.188  -5.740   1.345
   15    HG2  MET   3           HG2      MET   3 -21.949  -4.870   2.746
   16    HG3  MET   3           HG1      MET   3 -20.734  -3.635   2.440
   17    HE1  MET   3           HE1      MET   3 -21.133  -1.794   0.364
   18    HE2  MET   3           HE2      MET   3 -21.383  -1.304   2.039
   19    HE3  MET   3           HE3      MET   3 -22.537  -0.820   0.798
   20    H    LYS   4           HN       LYS   4 -20.517  -6.227  -1.938
   21    HA   LYS   4           HA       LYS   4 -17.994  -7.463  -1.395
   22    HB2  LYS   4           HB2      LYS   4 -20.026  -8.033  -3.551
   23    HB3  LYS   4           HB1      LYS   4 -18.633  -9.042  -3.182
   24    HG2  LYS   4           HG2      LYS   4 -19.506  -9.458  -0.950
   25    HG3  LYS   4           HG1      LYS   4 -20.885  -8.411  -1.286
   26    HD2  LYS   4           HD2      LYS   4 -21.569  -9.918  -3.103
   27    HD3  LYS   4           HD1      LYS   4 -20.204 -10.973  -2.727
   28    HE2  LYS   4           HE2      LYS   4 -21.100 -11.368  -0.500
   29    HE3  LYS   4           HE1      LYS   4 -22.438 -10.268  -0.828
   30    HZ1  LYS   4           HZ1      LYS   4 -21.903 -12.799  -2.283
   31    HZ2  LYS   4           HZ2      LYS   4 -23.200 -11.754  -2.559
   32    HZ3  LYS   4           HZ3      LYS   4 -23.083 -12.585  -1.094
   33    H    GLN   5           HN       GLN   5 -18.892  -4.958  -3.466
   34    HA   GLN   5           HA       GLN   5 -16.740  -5.527  -5.372
   35    HB2  GLN   5           HB2      GLN   5 -19.172  -3.770  -5.476
   36    HB3  GLN   5           HB1      GLN   5 -17.798  -3.420  -6.512
   37    HG2  GLN   5           HG2      GLN   5 -19.498  -4.718  -7.667
   38    HG3  GLN   5           HG1      GLN   5 -17.982  -5.602  -7.545
   39   HE21  GLN   5          HE21      GLN   5 -17.901  -7.471  -6.353
   40   HE22  GLN   5          HE22      GLN   5 -19.312  -8.245  -5.719
   41    H    LEU   6           HN       LEU   6 -17.995  -3.141  -3.148
   42    HA   LEU   6           HA       LEU   6 -15.845  -1.310  -3.381
   43    HB2  LEU   6           HB2      LEU   6 -18.004  -1.783  -1.359
   44    HB3  LEU   6           HB1      LEU   6 -16.677  -0.721  -0.958
   45    HG   LEU   6           HG       LEU   6 -18.720   0.467  -1.740
   46   HD11  LEU   6          HD11      LEU   6 -16.394   0.847  -3.622
   47   HD12  LEU   6          HD12      LEU   6 -16.430   1.430  -1.960
   48   HD13  LEU   6          HD13      LEU   6 -17.592   2.043  -3.134
   49   HD21  LEU   6          HD21      LEU   6 -19.272   0.443  -4.124
   50   HD22  LEU   6          HD22      LEU   6 -19.504  -1.141  -3.385
   51   HD23  LEU   6          HD23      LEU   6 -18.086  -0.835  -4.386
   52    H    GLU   7           HN       GLU   7 -16.596  -3.909  -1.063
   53    HA   GLU   7           HA       GLU   7 -14.199  -3.689   0.401
   54    HB2  GLU   7           HB2      GLU   7 -16.435  -5.057   0.829
   55    HB3  GLU   7           HB1      GLU   7 -15.510  -6.352   0.087
   56    HG2  GLU   7           HG2      GLU   7 -14.617  -4.776   2.493
   57    HG3  GLU   7           HG1      GLU   7 -15.432  -6.334   2.561
   58    H    ASP   8           HN       ASP   8 -15.036  -5.533  -2.550
   59    HA   ASP   8           HA       ASP   8 -12.555  -6.911  -2.681
   60    HB2  ASP   8           HB2      ASP   8 -14.786  -6.460  -4.510
   61    HB3  ASP   8           HB1      ASP   8 -13.230  -6.545  -5.330
   62    H    LYS   9           HN       LYS   9 -13.475  -3.672  -3.575
   63    HA   LYS   9           HA       LYS   9 -11.100  -3.056  -5.030
   64    HB2  LYS   9           HB2      LYS   9 -13.242  -1.779  -5.209
   65    HB3  LYS   9           HB1      LYS   9 -12.982  -1.177  -3.580
   66    HG2  LYS   9           HG2      LYS   9 -12.332   0.509  -5.148
   67    HG3  LYS   9           HG1      LYS   9 -10.887  -0.113  -4.349
   68    HD2  LYS   9           HD2      LYS   9 -10.349  -1.466  -6.269
   69    HD3  LYS   9           HD1      LYS   9 -11.863  -1.017  -7.055
   70    HE2  LYS   9           HE2      LYS   9  -9.995   0.244  -7.976
   71    HE3  LYS   9           HE1      LYS   9 -11.129   1.310  -7.153
   72    HZ1  LYS   9           HZ1      LYS   9  -8.601   0.298  -5.973
   73    HZ2  LYS   9           HZ2      LYS   9  -9.658   1.415  -5.271
   74    HZ3  LYS   9           HZ3      LYS   9  -8.797   1.827  -6.663
   75    H    VAL  10           HN       VAL  10 -12.170  -2.598  -1.690
   76    HA   VAL  10           HA       VAL  10  -9.895  -1.271  -0.700
   77    HB   VAL  10           HB       VAL  10 -11.521  -3.221   0.921
   78   HG11  VAL  10          HG11      VAL  10 -11.062  -1.666   2.742
   79   HG12  VAL  10          HG12      VAL  10 -10.155  -0.638   1.630
   80   HG13  VAL  10          HG13      VAL  10  -9.575  -2.264   2.007
   81   HG21  VAL  10          HG21      VAL  10 -12.291  -0.351   0.545
   82   HG22  VAL  10          HG22      VAL  10 -13.205  -1.637   1.330
   83   HG23  VAL  10          HG23      VAL  10 -12.987  -1.650  -0.420
   84    H    GLU  11           HN       GLU  11 -10.757  -4.716  -0.720
   85    HA   GLU  11           HA       GLU  11  -8.458  -5.649   0.626
   86    HB2  GLU  11           HB2      GLU  11 -10.497  -6.963   0.486
   87    HB3  GLU  11           HB1      GLU  11 -10.381  -7.035  -1.264
   88    HG2  GLU  11           HG2      GLU  11  -9.731  -9.141  -0.334
   89    HG3  GLU  11           HG1      GLU  11  -8.319  -8.363  -1.044
   90    H    GLU  12           HN       GLU  12  -9.061  -4.935  -2.755
   91    HA   GLU  12           HA       GLU  12  -6.793  -6.305  -3.777
   92    HB2  GLU  12           HB2      GLU  12  -8.755  -5.600  -5.161
   93    HB3  GLU  12           HB1      GLU  12  -8.220  -3.933  -4.993
   94    HG2  GLU  12           HG2      GLU  12  -6.170  -4.429  -6.161
   95    HG3  GLU  12           HG1      GLU  12  -6.594  -6.138  -6.238
   96    H    LEU  13           HN       LEU  13  -7.406  -2.991  -2.692
   97    HA   LEU  13           HA       LEU  13  -4.761  -2.070  -3.166
   98    HB2  LEU  13           HB2      LEU  13  -6.895  -1.102  -1.275
   99    HB3  LEU  13           HB1      LEU  13  -5.344  -0.309  -1.459
  100    HG   LEU  13           HG       LEU  13  -7.510  -0.574  -3.537
  101   HD11  LEU  13          HD11      LEU  13  -7.831   1.159  -1.845
  102   HD12  LEU  13          HD12      LEU  13  -7.512   1.851  -3.436
  103   HD13  LEU  13          HD13      LEU  13  -6.237   1.815  -2.218
  104   HD21  LEU  13          HD21      LEU  13  -4.725   0.548  -3.821
  105   HD22  LEU  13          HD22      LEU  13  -6.017   0.712  -5.008
  106   HD23  LEU  13          HD23      LEU  13  -5.366  -0.881  -4.631
  107    H    LEU  14           HN       LEU  14  -6.345  -3.772  -0.579
  108    HA   LEU  14           HA       LEU  14  -4.318  -3.621   1.374
  109    HB2  LEU  14           HB2      LEU  14  -6.781  -4.574   1.425
  110    HB3  LEU  14           HB1      LEU  14  -5.983  -6.076   1.015
  111    HG   LEU  14           HG       LEU  14  -4.517  -5.707   3.067
  112   HD11  LEU  14          HD11      LEU  14  -5.422  -4.285   4.807
  113   HD12  LEU  14          HD12      LEU  14  -6.717  -3.761   3.729
  114   HD13  LEU  14          HD13      LEU  14  -5.041  -3.334   3.372
  115   HD21  LEU  14          HD21      LEU  14  -7.472  -6.133   3.468
  116   HD22  LEU  14          HD22      LEU  14  -6.190  -6.636   4.568
  117   HD23  LEU  14          HD23      LEU  14  -6.314  -7.364   2.967
  118    H    SER  15           HN       SER  15  -4.682  -5.450  -1.523
  119    HA   SER  15           HA       SER  15  -2.789  -7.498  -0.885
  120    HB2  SER  15           HB2      SER  15  -3.899  -6.686  -3.583
  121    HB3  SER  15           HB1      SER  15  -3.081  -8.202  -3.202
  122    HG   SER  15           HG       SER  15  -5.472  -7.331  -1.930
  123    H    LYS  16           HN       LYS  16  -2.734  -4.566  -2.922
  124    HA   LYS  16           HA       LYS  16   0.050  -4.879  -3.480
  125    HB2  LYS  16           HB2      LYS  16  -0.003  -2.597  -4.362
  126    HB3  LYS  16           HB1      LYS  16  -1.273  -3.600  -5.048
  127    HG2  LYS  16           HG2      LYS  16  -2.898  -2.546  -3.560
  128    HG3  LYS  16           HG1      LYS  16  -1.619  -1.551  -2.869
  129    HD2  LYS  16           HD2      LYS  16  -2.393  -1.537  -5.785
  130    HD3  LYS  16           HD1      LYS  16  -3.021  -0.405  -4.591
  131    HE2  LYS  16           HE2      LYS  16  -1.292   0.803  -5.513
  132    HE3  LYS  16           HE1      LYS  16  -0.508   0.074  -4.115
  133    HZ1  LYS  16           HZ1      LYS  16  -0.367  -0.979  -6.889
  134    HZ2  LYS  16           HZ2      LYS  16   0.443  -1.605  -5.547
  135    HZ3  LYS  16           HZ3      LYS  16   0.841  -0.073  -6.131
  136    H    ASN  17           HN       ASN  17  -1.820  -3.165  -1.040
  137    HA   ASN  17           HA       ASN  17   0.238  -1.828   0.288
  138    HB2  ASN  17           HB2      ASN  17  -2.396  -2.942   1.044
  139    HB3  ASN  17           HB1      ASN  17  -1.259  -2.747   2.373
  140   HD21  ASN  17          HD21      ASN  17  -3.783  -1.339   1.573
  141   HD22  ASN  17          HD22      ASN  17  -3.361   0.336   1.575
  142    H    TYR  18           HN       TYR  18  -0.776  -5.215   0.408
  143    HA   TYR  18           HA       TYR  18   1.109  -6.069   2.321
  144    HB2  TYR  18           HB2      TYR  18  -0.759  -7.484   1.651
  145    HB3  TYR  18           HB1      TYR  18  -0.129  -7.582   0.011
  146    HD1  TYR  18           HD1      TYR  18   0.767  -8.405   3.533
  147    HD2  TYR  18           HD2      TYR  18   1.263  -9.343  -0.584
  148    HE1  TYR  18           HE1      TYR  18   2.049 -10.409   4.151
  149    HE2  TYR  18           HE2      TYR  18   2.543 -11.348   0.021
  150    HH   TYR  18           HH       TYR  18   2.673 -12.570   3.197
  151    H    HIS  19           HN       HIS  19   1.287  -5.874  -1.217
  152    HA   HIS  19           HA       HIS  19   3.869  -6.996  -1.455
  153    HB2  HIS  19           HB2      HIS  19   2.127  -5.382  -3.267
  154    HB3  HIS  19           HB1      HIS  19   3.809  -5.649  -3.706
  155    HD1  HIS  19           HD1      HIS  19   4.426  -7.903  -4.640
  156    HD2  HIS  19           HD2      HIS  19   0.550  -7.778  -3.143
  157    HE1  HIS  19           HE1      HIS  19   3.349 -10.054  -5.374
  158    HE2  HIS  19           HE2      HIS  19   1.049 -10.014  -4.340
  159    H    LEU  20           HN       LEU  20   2.823  -3.582  -1.476
  160    HA   LEU  20           HA       LEU  20   5.334  -2.408  -1.806
  161    HB2  LEU  20           HB2      LEU  20   3.114  -1.331  -0.076
  162    HB3  LEU  20           HB1      LEU  20   4.388  -0.395  -0.819
  163    HG   LEU  20           HG       LEU  20   2.035  -1.687  -2.088
  164   HD11  LEU  20          HD11      LEU  20   3.052   1.130  -2.058
  165   HD12  LEU  20          HD12      LEU  20   1.650   0.499  -1.194
  166   HD13  LEU  20          HD13      LEU  20   1.642   0.571  -2.955
  167   HD21  LEU  20          HD21      LEU  20   2.927  -1.008  -4.281
  168   HD22  LEU  20          HD22      LEU  20   3.930  -2.234  -3.507
  169   HD23  LEU  20          HD23      LEU  20   4.440  -0.545  -3.500
  170    H    GLU  21           HN       GLU  21   3.554  -3.057   1.171
  171    HA   GLU  21           HA       GLU  21   5.516  -2.142   2.947
  172    HB2  GLU  21           HB2      GLU  21   2.982  -3.089   3.225
  173    HB3  GLU  21           HB1      GLU  21   3.907  -4.426   3.892
  174    HG2  GLU  21           HG2      GLU  21   4.071  -1.555   4.787
  175    HG3  GLU  21           HG1      GLU  21   3.206  -2.845   5.615
  176    H    ASN  22           HN       ASN  22   4.982  -5.397   1.623
  177    HA   ASN  22           HA       ASN  22   7.108  -6.648   2.999
  178    HB2  ASN  22           HB2      ASN  22   5.558  -7.293   0.522
  179    HB3  ASN  22           HB1      ASN  22   7.018  -8.207   0.881
  180   HD21  ASN  22          HD21      ASN  22   5.858 -10.090   1.163
  181   HD22  ASN  22          HD22      ASN  22   4.888 -10.379   2.565
  182    H    GLU  23           HN       GLU  23   6.933  -4.950  -0.093
  183    HA   GLU  23           HA       GLU  23   9.578  -5.505  -0.921
  184    HB2  GLU  23           HB2      GLU  23   7.698  -4.587  -2.346
  185    HB3  GLU  23           HB1      GLU  23   7.983  -3.027  -1.587
  186    HG2  GLU  23           HG2      GLU  23   9.091  -3.060  -3.700
  187    HG3  GLU  23           HG1      GLU  23  10.313  -3.097  -2.429
  188    H    VAL  24           HN       VAL  24   8.154  -2.859   0.950
  189    HA   VAL  24           HA       VAL  24  10.446  -1.295   1.295
  190    HB   VAL  24           HB       VAL  24   8.206  -1.704   3.302
  191   HG11  VAL  24          HG11      VAL  24  10.161   0.572   3.007
  192   HG12  VAL  24          HG12      VAL  24  10.207  -0.663   4.267
  193   HG13  VAL  24          HG13      VAL  24   8.854   0.466   4.189
  194   HG21  VAL  24          HG21      VAL  24   7.357  -0.962   1.138
  195   HG22  VAL  24          HG22      VAL  24   8.498   0.382   1.146
  196   HG23  VAL  24          HG23      VAL  24   7.214   0.309   2.352
  197    H    ALA  25           HN       ALA  25   9.183  -3.997   3.224
  198    HA   ALA  25           HA       ALA  25  11.063  -3.932   5.293
  199    HB1  ALA  25           HB1      ALA  25   9.607  -6.327   4.164
  200    HB2  ALA  25           HB2      ALA  25   8.989  -5.230   5.400
  201    HB3  ALA  25           HB3      ALA  25  10.392  -6.245   5.742
  202    H    ARG  26           HN       ARG  26  11.123  -5.661   2.203
  203    HA   ARG  26           HA       ARG  26  13.559  -7.024   2.636
  204    HB2  ARG  26           HB2      ARG  26  12.257  -6.172   0.044
  205    HB3  ARG  26           HB1      ARG  26  13.582  -7.319   0.178
  206    HG2  ARG  26           HG2      ARG  26  12.163  -8.830   1.456
  207    HG3  ARG  26           HG1      ARG  26  10.834  -7.673   1.359
  208    HD2  ARG  26           HD2      ARG  26  10.866  -7.866  -1.089
  209    HD3  ARG  26           HD1      ARG  26  12.168  -9.048  -0.969
  210    HE   ARG  26           HE       ARG  26   9.873  -9.803   0.556
  211   HH11  ARG  26          HH11      ARG  26  11.236  -9.771  -2.662
  212   HH12  ARG  26          HH12      ARG  26  10.293 -11.116  -3.215
  213   HH21  ARG  26          HH21      ARG  26   8.630 -11.581  -0.165
  214   HH22  ARG  26          HH22      ARG  26   8.813 -12.146  -1.795
  215    H    LEU  27           HN       LEU  27  12.821  -4.000   0.927
  216    HA   LEU  27           HA       LEU  27  15.457  -3.374   0.187
  217    HB2  LEU  27           HB2      LEU  27  12.932  -1.834   0.498
  218    HB3  LEU  27           HB1      LEU  27  14.427  -0.946   0.395
  219    HG   LEU  27           HG       LEU  27  14.842  -1.638  -1.820
  220   HD11  LEU  27          HD11      LEU  27  12.609  -3.643  -1.528
  221   HD12  LEU  27          HD12      LEU  27  14.333  -4.016  -1.561
  222   HD13  LEU  27          HD13      LEU  27  13.553  -3.333  -2.986
  223   HD21  LEU  27          HD21      LEU  27  12.757  -1.051  -2.996
  224   HD22  LEU  27          HD22      LEU  27  13.141   0.052  -1.676
  225   HD23  LEU  27          HD23      LEU  27  11.891  -1.174  -1.466
  226    H    LYS  28           HN       LYS  28  13.585  -2.566   3.089
  227    HA   LYS  28           HA       LYS  28  15.582  -0.814   4.118
  228    HB2  LYS  28           HB2      LYS  28  13.044  -0.903   4.669
  229    HB3  LYS  28           HB1      LYS  28  13.510  -2.124   5.847
  230    HG2  LYS  28           HG2      LYS  28  13.364   0.080   6.868
  231    HG3  LYS  28           HG1      LYS  28  15.019  -0.534   6.915
  232    HD2  LYS  28           HD2      LYS  28  15.562   0.818   4.940
  233    HD3  LYS  28           HD1      LYS  28  13.914   1.437   4.916
  234    HE2  LYS  28           HE2      LYS  28  15.407   3.038   5.923
  235    HE3  LYS  28           HE1      LYS  28  14.271   2.426   7.125
  236    HZ1  LYS  28           HZ1      LYS  28  16.559   2.581   7.961
  237    HZ2  LYS  28           HZ2      LYS  28  17.066   1.467   6.794
  238    HZ3  LYS  28           HZ3      LYS  28  15.978   0.994   8.000
  239    H    LYS  29           HN       LYS  29  15.359  -4.173   3.972
  240    HA   LYS  29           HA       LYS  29  16.984  -4.744   6.270
  241    HB2  LYS  29           HB2      LYS  29  15.547  -6.474   5.340
  242    HB3  LYS  29           HB1      LYS  29  16.357  -6.356   3.786
  243    HG2  LYS  29           HG2      LYS  29  18.396  -7.238   4.738
  244    HG3  LYS  29           HG1      LYS  29  17.658  -7.268   6.346
  245    HD2  LYS  29           HD2      LYS  29  16.046  -8.909   5.630
  246    HD3  LYS  29           HD1      LYS  29  16.629  -8.805   3.961
  247    HE2  LYS  29           HE2      LYS  29  18.284  -9.716   6.310
  248    HE3  LYS  29           HE1      LYS  29  17.457 -10.797   5.192
  249    HZ1  LYS  29           HZ1      LYS  29  18.782  -9.854   3.388
  250    HZ2  LYS  29           HZ2      LYS  29  19.761 -10.544   4.579
  251    HZ3  LYS  29           HZ3      LYS  29  19.601  -8.865   4.489
  252    H    LEU  30           HN       LEU  30  17.475  -4.151   2.846
  253    HA   LEU  30           HA       LEU  30  20.334  -4.463   2.978
  254    HB2  LEU  30           HB2      LEU  30  18.451  -3.469   0.857
  255    HB3  LEU  30           HB1      LEU  30  20.186  -3.302   0.677
  256    HG   LEU  30           HG       LEU  30  20.379  -5.791   0.921
  257   HD11  LEU  30          HD11      LEU  30  18.383  -7.148   0.562
  258   HD12  LEU  30          HD12      LEU  30  17.381  -5.699   0.644
  259   HD13  LEU  30          HD13      LEU  30  18.280  -6.231   2.065
  260   HD21  LEU  30          HD21      LEU  30  19.617  -6.268  -1.354
  261   HD22  LEU  30          HD22      LEU  30  20.459  -4.722  -1.254
  262   HD23  LEU  30          HD23      LEU  30  18.698  -4.763  -1.358
  263    H    VAL  31           HN       VAL  31  18.024  -1.820   3.071
  264    HA   VAL  31           HA       VAL  31  20.155   0.113   3.578
  265    HB   VAL  31           HB       VAL  31  17.172   0.619   3.704
  266   HG11  VAL  31          HG11      VAL  31  19.498   2.485   3.253
  267   HG12  VAL  31          HG12      VAL  31  18.566   2.333   4.742
  268   HG13  VAL  31          HG13      VAL  31  17.794   2.941   3.277
  269   HG21  VAL  31          HG21      VAL  31  19.003   0.884   1.324
  270   HG22  VAL  31          HG22      VAL  31  17.334   1.450   1.403
  271   HG23  VAL  31          HG23      VAL  31  17.685  -0.275   1.508
  272    H    GLY  32           HN       GLY  32  19.791  -2.127   5.284
  273    HA2  GLY  32           HA2      GLY  32  19.185  -0.763   7.819
  274    HA3  GLY  32           HA1      GLY  32  18.524  -2.360   7.484
  275    H    GLU  33           HN       GLU  33  20.444  -3.826   6.506
  276    HA   GLU  33           HA       GLU  33  22.530  -3.754   8.570
  277    HB2  GLU  33           HB2      GLU  33  21.623  -6.035   6.803
  278    HB3  GLU  33           HB1      GLU  33  22.860  -6.139   8.049
  279    HG2  GLU  33           HG2      GLU  33  21.196  -5.596   9.751
  280    HG3  GLU  33           HG1      GLU  33  19.957  -5.488   8.502
  281    H1   GLY   1           HT1      GLY   1 -23.800   7.814   4.860
  282    H2   GLY   1           HT2      GLY   1 -23.168   7.858   3.293
  283    H3   GLY   1           HT3      GLY   1 -22.258   7.188   4.554
  284    HA2  GLY   1           HA1      GLY   1 -23.856   5.411   4.812
  285    HA3  GLY   1           HA2      GLY   1 -24.813   6.107   3.512
  286    H    SER   2           HN       SER   2 -23.151   3.572   4.038
  287    HA   SER   2           HA       SER   2 -21.803   2.124   2.926
  288    HB2  SER   2           HB2      SER   2 -22.669   1.688   0.591
  289    HB3  SER   2           HB1      SER   2 -23.872   1.658   1.884
  290    HG   SER   2           HG       SER   2 -24.826   3.341   1.034
  291    H    MET   3           HN       MET   3 -22.192   4.109   0.058
  292    HA   MET   3           HA       MET   3 -19.731   3.577  -1.011
  293    HB2  MET   3           HB2      MET   3 -21.627   5.858  -1.391
  294    HB3  MET   3           HB1      MET   3 -20.065   5.893  -2.192
  295    HG2  MET   3           HG2      MET   3 -21.772   5.050  -3.675
  296    HG3  MET   3           HG1      MET   3 -20.586   3.800  -3.322
  297    HE1  MET   3           HE1      MET   3 -21.095   1.945  -1.283
  298    HE2  MET   3           HE2      MET   3 -21.280   1.472  -2.971
  299    HE3  MET   3           HE3      MET   3 -22.493   0.993  -1.784
  300    H    LYS   4           HN       LYS   4 -20.525   6.353   1.079
  301    HA   LYS   4           HA       LYS   4 -17.972   7.571   0.657
  302    HB2  LYS   4           HB2      LYS   4 -20.084   8.137   2.735
  303    HB3  LYS   4           HB1      LYS   4 -18.671   9.138   2.429
  304    HG2  LYS   4           HG2      LYS   4 -19.453   9.582   0.169
  305    HG3  LYS   4           HG1      LYS   4 -20.852   8.542   0.442
  306    HD2  LYS   4           HD2      LYS   4 -21.593  10.036   2.245
  307    HD3  LYS   4           HD1      LYS   4 -20.208  11.084   1.933
  308    HE2  LYS   4           HE2      LYS   4 -21.014  11.502  -0.325
  309    HE3  LYS   4           HE1      LYS   4 -22.378  10.419  -0.053
  310    HZ1  LYS   4           HZ1      LYS   4 -21.857  12.937   1.429
  311    HZ2  LYS   4           HZ2      LYS   4 -23.176  11.904   1.670
  312    HZ3  LYS   4           HZ3      LYS   4 -23.008  12.735   0.207
  313    H    GLN   5           HN       GLN   5 -18.977   5.053   2.661
  314    HA   GLN   5           HA       GLN   5 -16.902   5.585   4.661
  315    HB2  GLN   5           HB2      GLN   5 -19.350   3.848   4.646
  316    HB3  GLN   5           HB1      GLN   5 -18.025   3.479   5.737
  317    HG2  GLN   5           HG2      GLN   5 -19.768   4.781   6.827
  318    HG3  GLN   5           HG1      GLN   5 -18.237   5.648   6.784
  319   HE21  GLN   5          HE21      GLN   5 -18.077   7.527   5.617
  320   HE22  GLN   5          HE22      GLN   5 -19.446   8.327   4.929
  321    H    LEU   6           HN       LEU   6 -18.085   3.227   2.364
  322    HA   LEU   6           HA       LEU   6 -15.963   1.378   2.668
  323    HB2  LEU   6           HB2      LEU   6 -18.033   1.891   0.563
  324    HB3  LEU   6           HB1      LEU   6 -16.700   0.818   0.206
  325    HG   LEU   6           HG       LEU   6 -18.782  -0.355   0.895
  326   HD11  LEU   6          HD11      LEU   6 -16.539  -0.777   2.864
  327   HD12  LEU   6          HD12      LEU   6 -16.515  -1.343   1.197
  328   HD13  LEU   6          HD13      LEU   6 -17.729  -1.955   2.318
  329   HD21  LEU   6          HD21      LEU   6 -19.433  -0.349   3.251
  330   HD22  LEU   6          HD22      LEU   6 -19.618   1.245   2.521
  331   HD23  LEU   6          HD23      LEU   6 -18.246   0.915   3.577
  332    H    GLU   7           HN       GLU   7 -16.594   4.003   0.348
  333    HA   GLU   7           HA       GLU   7 -14.140   3.774  -1.021
  334    HB2  GLU   7           HB2      GLU   7 -16.347   5.160  -1.534
  335    HB3  GLU   7           HB1      GLU   7 -15.452   6.441  -0.740
  336    HG2  GLU   7           HG2      GLU   7 -14.461   4.890  -3.120
  337    HG3  GLU   7           HG1      GLU   7 -15.266   6.451  -3.209
  338    H    ASP   8           HN       ASP   8 -15.083   5.601   1.911
  339    HA   ASP   8           HA       ASP   8 -12.598   6.957   2.152
  340    HB2  ASP   8           HB2      ASP   8 -14.906   6.506   3.881
  341    HB3  ASP   8           HB1      ASP   8 -13.386   6.577   4.768
  342    H    LYS   9           HN       LYS   9 -13.581   3.718   2.972
  343    HA   LYS   9           HA       LYS   9 -11.274   3.070   4.520
  344    HB2  LYS   9           HB2      LYS   9 -13.431   1.810   4.603
  345    HB3  LYS   9           HB1      LYS   9 -13.110   1.217   2.981
  346    HG2  LYS   9           HG2      LYS   9 -12.541  -0.484   4.564
  347    HG3  LYS   9           HG1      LYS   9 -11.059   0.127   3.827
  348    HD2  LYS   9           HD2      LYS   9 -10.587   1.464   5.778
  349    HD3  LYS   9           HD1      LYS   9 -12.135   1.021   6.499
  350    HE2  LYS   9           HE2      LYS   9 -10.314  -0.265   7.482
  351    HE3  LYS   9           HE1      LYS   9 -11.424  -1.314   6.603
  352    HZ1  LYS   9           HZ1      LYS   9  -8.842  -0.306   5.538
  353    HZ2  LYS   9           HZ2      LYS   9  -9.888  -1.396   4.774
  354    HZ3  LYS   9           HZ3      LYS   9  -9.088  -1.845   6.189
  355    H    VAL  10           HN       VAL  10 -12.212   2.648   1.138
  356    HA   VAL  10           HA       VAL  10  -9.910   1.311   0.229
  357    HB   VAL  10           HB       VAL  10 -11.451   3.287  -1.442
  358   HG11  VAL  10          HG11      VAL  10 -10.932   1.742  -3.256
  359   HG12  VAL  10          HG12      VAL  10 -10.082   0.696  -2.115
  360   HG13  VAL  10          HG13      VAL  10  -9.469   2.319  -2.453
  361   HG21  VAL  10          HG21      VAL  10 -12.262   0.422  -1.119
  362   HG22  VAL  10          HG22      VAL  10 -13.133   1.723  -1.928
  363   HG23  VAL  10          HG23      VAL  10 -12.982   1.720  -0.171
  364    H    GLU  11           HN       GLU  11 -10.743   4.760   0.252
  365    HA   GLU  11           HA       GLU  11  -8.384   5.684  -0.995
  366    HB2  GLU  11           HB2      GLU  11 -10.413   7.017  -0.927
  367    HB3  GLU  11           HB1      GLU  11 -10.369   7.074   0.826
  368    HG2  GLU  11           HG2      GLU  11  -9.662   9.181  -0.057
  369    HG3  GLU  11           HG1      GLU  11  -8.288   8.384   0.704
  370    H    GLU  12           HN       GLU  12  -9.125   4.945   2.352
  371    HA   GLU  12           HA       GLU  12  -6.892   6.288   3.481
  372    HB2  GLU  12           HB2      GLU  12  -8.916   5.584   4.772
  373    HB3  GLU  12           HB1      GLU  12  -8.388   3.915   4.613
  374    HG2  GLU  12           HG2      GLU  12  -6.384   4.387   5.866
  375    HG3  GLU  12           HG1      GLU  12  -6.801   6.095   5.944
  376    H    LEU  13           HN       LEU  13  -7.489   2.986   2.348
  377    HA   LEU  13           HA       LEU  13  -4.871   2.040   2.909
  378    HB2  LEU  13           HB2      LEU  13  -6.937   1.110   0.924
  379    HB3  LEU  13           HB1      LEU  13  -5.402   0.300   1.165
  380    HG   LEU  13           HG       LEU  13  -7.653   0.569   3.153
  381   HD11  LEU  13          HD11      LEU  13  -7.914  -1.147   1.435
  382   HD12  LEU  13          HD12      LEU  13  -7.669  -1.857   3.030
  383   HD13  LEU  13          HD13      LEU  13  -6.343  -1.820   1.868
  384   HD21  LEU  13          HD21      LEU  13  -4.889  -0.576   3.548
  385   HD22  LEU  13          HD22      LEU  13  -6.232  -0.742   4.677
  386   HD23  LEU  13          HD23      LEU  13  -5.555   0.850   4.343
  387    H    LEU  14           HN       LEU  14  -6.337   3.779   0.279
  388    HA   LEU  14           HA       LEU  14  -4.236   3.625  -1.593
  389    HB2  LEU  14           HB2      LEU  14  -6.686   4.600  -1.733
  390    HB3  LEU  14           HB1      LEU  14  -5.893   6.092  -1.279
  391    HG   LEU  14           HG       LEU  14  -4.350   5.729  -3.273
  392   HD11  LEU  14          HD11      LEU  14  -5.191   4.327  -5.061
  393   HD12  LEU  14          HD12      LEU  14  -6.533   3.802  -4.042
  394   HD13  LEU  14          HD13      LEU  14  -4.876   3.361  -3.620
  395   HD21  LEU  14          HD21      LEU  14  -7.284   6.181  -3.791
  396   HD22  LEU  14          HD22      LEU  14  -5.951   6.688  -4.827
  397   HD23  LEU  14          HD23      LEU  14  -6.137   7.394  -3.224
  398    H    SER  15           HN       SER  15  -4.697   5.429   1.306
  399    HA   SER  15           HA       SER  15  -2.764   7.470   0.762
  400    HB2  SER  15           HB2      SER  15  -4.002   6.641   3.398
  401    HB3  SER  15           HB1      SER  15  -3.142   8.147   3.077
  402    HG   SER  15           HG       SER  15  -5.499   7.335   1.705
  403    H    LYS  16           HN       LYS  16  -2.815   4.522   2.778
  404    HA   LYS  16           HA       LYS  16  -0.054   4.801   3.447
  405    HB2  LYS  16           HB2      LYS  16  -0.166   2.515   4.308
  406    HB3  LYS  16           HB1      LYS  16  -1.457   3.521   4.945
  407    HG2  LYS  16           HG2      LYS  16  -3.024   2.492   3.381
  408    HG3  LYS  16           HG1      LYS  16  -1.726   1.494   2.734
  409    HD2  LYS  16           HD2      LYS  16  -2.623   1.458   5.613
  410    HD3  LYS  16           HD1      LYS  16  -3.208   0.342   4.384
  411    HE2  LYS  16           HE2      LYS  16  -1.529  -0.888   5.370
  412    HE3  LYS  16           HE1      LYS  16  -0.679  -0.154   4.014
  413    HZ1  LYS  16           HZ1      LYS  16  -0.656   0.880   6.800
  414    HZ2  LYS  16           HZ2      LYS  16   0.224   1.501   5.501
  415    HZ3  LYS  16           HZ3      LYS  16   0.577  -0.037   6.097
  416    H    ASN  17           HN       ASN  17  -1.838   3.121   0.917
  417    HA   ASN  17           HA       ASN  17   0.261   1.779  -0.341
  418    HB2  ASN  17           HB2      ASN  17  -2.329   2.929  -1.192
  419    HB3  ASN  17           HB1      ASN  17  -1.140   2.738  -2.475
  420   HD21  ASN  17          HD21      ASN  17  -3.712   1.341  -1.786
  421   HD22  ASN  17          HD22      ASN  17  -3.299  -0.337  -1.791
  422    H    TYR  18           HN       TYR  18  -0.718   5.177  -0.463
  423    HA   TYR  18           HA       TYR  18   1.245   6.034  -2.294
  424    HB2  TYR  18           HB2      TYR  18  -0.635   7.461  -1.686
  425    HB3  TYR  18           HB1      TYR  18  -0.071   7.539  -0.020
  426    HD1  TYR  18           HD1      TYR  18   0.974   8.384  -3.497
  427    HD2  TYR  18           HD2      TYR  18   1.316   9.286   0.646
  428    HE1  TYR  18           HE1      TYR  18   2.303  10.379  -4.046
  429    HE2  TYR  18           HE2      TYR  18   2.646  11.282   0.108
  430    HH   TYR  18           HH       TYR  18   2.897  12.534  -3.043
  431    H    HIS  19           HN       HIS  19   1.280   5.801   1.244
  432    HA   HIS  19           HA       HIS  19   3.858   6.903   1.599
  433    HB2  HIS  19           HB2      HIS  19   2.031   5.288   3.324
  434    HB3  HIS  19           HB1      HIS  19   3.698   5.535   3.832
  435    HD1  HIS  19           HD1      HIS  19   4.296   7.783   4.816
  436    HD2  HIS  19           HD2      HIS  19   0.481   7.697   3.164
  437    HE1  HIS  19           HE1      HIS  19   3.210   9.935   5.516
  438    HE2  HIS  19           HE2      HIS  19   0.959   9.925   4.386
  439    H    LEU  20           HN       LEU  20   2.784   3.499   1.544
  440    HA   LEU  20           HA       LEU  20   5.270   2.300   1.963
  441    HB2  LEU  20           HB2      LEU  20   3.117   1.257   0.133
  442    HB3  LEU  20           HB1      LEU  20   4.351   0.305   0.922
  443    HG   LEU  20           HG       LEU  20   1.958   1.611   2.100
  444   HD11  LEU  20          HD11      LEU  20   2.947  -1.217   2.091
  445   HD12  LEU  20          HD12      LEU  20   1.587  -0.566   1.176
  446   HD13  LEU  20          HD13      LEU  20   1.506  -0.650   2.935
  447   HD21  LEU  20          HD21      LEU  20   2.750   0.898   4.321
  448   HD22  LEU  20          HD22      LEU  20   3.794   2.124   3.604
  449   HD23  LEU  20          HD23      LEU  20   4.290   0.431   3.599
  450    H    GLU  21           HN       GLU  21   3.616   2.980  -1.082
  451    HA   GLU  21           HA       GLU  21   5.646   2.072  -2.780
  452    HB2  GLU  21           HB2      GLU  21   3.133   3.046  -3.149
  453    HB3  GLU  21           HB1      GLU  21   4.100   4.376  -3.765
  454    HG2  GLU  21           HG2      GLU  21   4.262   1.514  -4.682
  455    HG3  GLU  21           HG1      GLU  21   3.452   2.830  -5.531
  456    H    ASN  22           HN       ASN  22   5.084   5.318  -1.443
  457    HA   ASN  22           HA       ASN  22   7.273   6.564  -2.724
  458    HB2  ASN  22           HB2      ASN  22   5.628   7.205  -0.306
  459    HB3  ASN  22           HB1      ASN  22   7.113   8.104  -0.592
  460   HD21  ASN  22          HD21      ASN  22   5.972  10.012  -0.898
  461   HD22  ASN  22          HD22      ASN  22   5.071  10.317  -2.344
  462    H    GLU  23           HN       GLU  23   6.960   4.822   0.329
  463    HA   GLU  23           HA       GLU  23   9.573   5.365   1.278
  464    HB2  GLU  23           HB2      GLU  23   7.630   4.449   2.619
  465    HB3  GLU  23           HB1      GLU  23   7.934   2.894   1.859
  466    HG2  GLU  23           HG2      GLU  23   8.949   2.901   4.016
  467    HG3  GLU  23           HG1      GLU  23  10.223   2.936   2.799
  468    H    VAL  24           HN       VAL  24   8.205   2.747  -0.670
  469    HA   VAL  24           HA       VAL  24  10.494   1.164  -0.935
  470    HB   VAL  24           HB       VAL  24   8.341   1.610  -3.030
  471   HG11  VAL  24          HG11      VAL  24  10.266  -0.684  -2.671
  472   HG12  VAL  24          HG12      VAL  24  10.372   0.560  -3.918
  473   HG13  VAL  24          HG13      VAL  24   9.009  -0.559  -3.905
  474   HG21  VAL  24          HG21      VAL  24   7.401   0.861  -0.904
  475   HG22  VAL  24          HG22      VAL  24   8.531  -0.493  -0.879
  476   HG23  VAL  24          HG23      VAL  24   7.295  -0.398  -2.133
  477    H    ALA  25           HN       ALA  25   9.339   3.893  -2.886
  478    HA   ALA  25           HA       ALA  25  11.293   3.829  -4.882
  479    HB1  ALA  25           HB1      ALA  25   9.821   6.229  -3.785
  480    HB2  ALA  25           HB2      ALA  25   9.240   5.154  -5.057
  481    HB3  ALA  25           HB3      ALA  25  10.666   6.156  -5.331
  482    H    ARG  26           HN       ARG  26  11.246   5.529  -1.776
  483    HA   ARG  26           HA       ARG  26  13.709   6.875  -2.099
  484    HB2  ARG  26           HB2      ARG  26  12.295   6.015   0.431
  485    HB3  ARG  26           HB1      ARG  26  13.637   7.148   0.360
  486    HG2  ARG  26           HG2      ARG  26  12.287   8.685  -0.958
  487    HG3  ARG  26           HG1      ARG  26  10.943   7.541  -0.926
  488    HD2  ARG  26           HD2      ARG  26  10.882   7.710   1.523
  489    HD3  ARG  26           HD1      ARG  26  12.199   8.880   1.466
  490    HE   ARG  26           HE       ARG  26   9.976   9.674  -0.144
  491   HH11  ARG  26          HH11      ARG  26  11.211   9.600   3.129
  492   HH12  ARG  26          HH12      ARG  26  10.249  10.942   3.656
  493   HH21  ARG  26          HH21      ARG  26   8.713  11.448   0.544
  494   HH22  ARG  26          HH22      ARG  26   8.828  11.994   2.187
  495    H    LEU  27           HN       LEU  27  12.877   3.843  -0.449
  496    HA   LEU  27           HA       LEU  27  15.477   3.190   0.393
  497    HB2  LEU  27           HB2      LEU  27  12.956   1.670  -0.036
  498    HB3  LEU  27           HB1      LEU  27  14.439   0.773   0.127
  499    HG   LEU  27           HG       LEU  27  14.762   1.448   2.359
  500   HD11  LEU  27          HD11      LEU  27  12.560   3.472   1.989
  501   HD12  LEU  27          HD12      LEU  27  14.283   3.830   2.094
  502   HD13  LEU  27          HD13      LEU  27  13.439   3.146   3.482
  503   HD21  LEU  27          HD21      LEU  27  12.628   0.865   3.445
  504   HD22  LEU  27          HD22      LEU  27  13.057  -0.229   2.131
  505   HD23  LEU  27          HD23      LEU  27  11.825   1.007   1.881
  506    H    LYS  28           HN       LYS  28  13.715   2.420  -2.586
  507    HA   LYS  28           HA       LYS  28  15.736   0.661  -3.552
  508    HB2  LYS  28           HB2      LYS  28  13.223   0.779  -4.205
  509    HB3  LYS  28           HB1      LYS  28  13.746   2.008  -5.350
  510    HG2  LYS  28           HG2      LYS  28  13.625  -0.185  -6.403
  511    HG3  LYS  28           HG1      LYS  28  15.286   0.416  -6.374
  512    HD2  LYS  28           HD2      LYS  28  15.735  -0.958  -4.388
  513    HD3  LYS  28           HD1      LYS  28  14.083  -1.565  -4.439
  514    HE2  LYS  28           HE2      LYS  28  15.610  -3.168  -5.391
  515    HE3  LYS  28           HE1      LYS  28  14.525  -2.547  -6.633
  516    HZ1  LYS  28           HZ1      LYS  28  16.838  -2.709  -7.386
  517    HZ2  LYS  28           HZ2      LYS  28  17.312  -1.608  -6.193
  518    HZ3  LYS  28           HZ3      LYS  28  16.272  -1.116  -7.434
  519    H    LYS  29           HN       LYS  29  15.535   4.023  -3.381
  520    HA   LYS  29           HA       LYS  29  17.256   4.601  -5.605
  521    HB2  LYS  29           HB2      LYS  29  15.800   6.335  -4.716
  522    HB3  LYS  29           HB1      LYS  29  16.549   6.196  -3.132
  523    HG2  LYS  29           HG2      LYS  29  18.631   7.068  -3.999
  524    HG3  LYS  29           HG1      LYS  29  17.957   7.113  -5.633
  525    HD2  LYS  29           HD2      LYS  29  16.332   8.765  -4.969
  526    HD3  LYS  29           HD1      LYS  29  16.851   8.647  -3.282
  527    HE2  LYS  29           HE2      LYS  29  18.600   9.560  -5.563
  528    HE3  LYS  29           HE1      LYS  29  17.744  10.638  -4.462
  529    HZ1  LYS  29           HZ1      LYS  29  18.995   9.659  -2.625
  530    HZ2  LYS  29           HZ2      LYS  29  20.021  10.358  -3.769
  531    HZ3  LYS  29           HZ3      LYS  29  19.845   8.678  -3.709
  532    H    LEU  30           HN       LEU  30  17.606   3.976  -2.173
  533    HA   LEU  30           HA       LEU  30  20.471   4.260  -2.191
  534    HB2  LEU  30           HB2      LEU  30  18.495   3.264  -0.157
  535    HB3  LEU  30           HB1      LEU  30  20.219   3.079   0.093
  536    HG   LEU  30           HG       LEU  30  20.445   5.570  -0.117
  537   HD11  LEU  30          HD11      LEU  30  18.444   6.936   0.177
  538   HD12  LEU  30          HD12      LEU  30  17.437   5.496   0.032
  539   HD13  LEU  30          HD13      LEU  30  18.400   6.040  -1.341
  540   HD21  LEU  30          HD21      LEU  30  19.592   6.031   2.129
  541   HD22  LEU  30          HD22      LEU  30  20.422   4.477   2.048
  542   HD23  LEU  30          HD23      LEU  30  18.660   4.535   2.077
  543    H    VAL  31           HN       VAL  31  18.146   1.635  -2.393
  544    HA   VAL  31           HA       VAL  31  20.277  -0.313  -2.836
  545    HB   VAL  31           HB       VAL  31  17.298  -0.791  -3.087
  546   HG11  VAL  31          HG11      VAL  31  19.587  -2.683  -2.553
  547   HG12  VAL  31          HG12      VAL  31  18.720  -2.513  -4.079
  548   HG13  VAL  31          HG13      VAL  31  17.882  -3.124  -2.652
  549   HG21  VAL  31          HG21      VAL  31  19.025  -1.089  -0.635
  550   HG22  VAL  31          HG22      VAL  31  17.357  -1.642  -0.788
  551   HG23  VAL  31          HG23      VAL  31  17.726   0.081  -0.867
  552    H    GLY  32           HN       GLY  32  20.001   1.947  -4.535
  553    HA2  GLY  32           HA2      GLY  32  19.488   0.610  -7.104
  554    HA3  GLY  32           HA1      GLY  32  18.825   2.208  -6.781
  555    H    GLU  33           HN       GLU  33  20.723   3.643  -5.705
  556    HA   GLU  33           HA       GLU  33  22.891   3.577  -7.686
  557    HB2  GLU  33           HB2      GLU  33  21.926   5.852  -5.938
  558    HB3  GLU  33           HB1      GLU  33  23.213   5.955  -7.131
  559    HG2  GLU  33           HG2      GLU  33  21.615   5.448  -8.904
  560    HG3  GLU  33           HG1      GLU  33  20.324   5.339  -7.710
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -22.869  -3.101  -7.887
    2    H2   GLY   1           HT2      GLY   1 -24.042  -1.899  -7.699
    3    H3   GLY   1           HT3      GLY   1 -24.513  -3.510  -7.883
    4    HA2  GLY   1           HA1      GLY   1 -24.719  -2.839  -5.581
    5    HA3  GLY   1           HA2      GLY   1 -23.500  -4.090  -5.776
    6    H    SER   2           HN       SER   2 -23.358  -2.652  -3.531
    7    HA   SER   2           HA       SER   2 -21.274  -0.642  -4.028
    8    HB2  SER   2           HB2      SER   2 -21.832   0.051  -1.628
    9    HB3  SER   2           HB1      SER   2 -23.069   0.370  -2.845
   10    HG   SER   2           HG       SER   2 -24.345  -0.793  -1.656
   11    H    MET   3           HN       MET   3 -22.176  -2.942  -1.486
   12    HA   MET   3           HA       MET   3 -19.845  -2.935  -0.064
   13    HB2  MET   3           HB2      MET   3 -21.699  -5.283  -0.478
   14    HB3  MET   3           HB1      MET   3 -20.521  -5.136   0.817
   15    HG2  MET   3           HG2      MET   3 -22.875  -3.317   0.374
   16    HG3  MET   3           HG1      MET   3 -22.784  -4.612   1.563
   17    HE1  MET   3           HE1      MET   3 -20.059  -3.301   4.031
   18    HE2  MET   3           HE2      MET   3 -19.767  -4.330   2.629
   19    HE3  MET   3           HE3      MET   3 -21.184  -4.603   3.644
   20    H    LYS   4           HN       LYS   4 -20.658  -5.397  -2.532
   21    HA   LYS   4           HA       LYS   4 -18.198  -6.764  -2.164
   22    HB2  LYS   4           HB2      LYS   4 -20.265  -6.951  -4.346
   23    HB3  LYS   4           HB1      LYS   4 -18.868  -8.009  -4.221
   24    HG2  LYS   4           HG2      LYS   4 -19.648  -8.817  -2.065
   25    HG3  LYS   4           HG1      LYS   4 -21.031  -7.724  -2.147
   26    HD2  LYS   4           HD2      LYS   4 -21.620 -10.023  -2.792
   27    HD3  LYS   4           HD1      LYS   4 -21.863  -8.878  -4.111
   28    HE2  LYS   4           HE2      LYS   4 -19.758  -9.565  -5.118
   29    HE3  LYS   4           HE1      LYS   4 -19.456 -10.665  -3.775
   30    HZ1  LYS   4           HZ1      LYS   4 -21.412 -11.920  -4.409
   31    HZ2  LYS   4           HZ2      LYS   4 -20.331 -11.823  -5.704
   32    HZ3  LYS   4           HZ3      LYS   4 -21.717 -10.858  -5.688
   33    H    GLN   5           HN       GLN   5 -18.942  -4.000  -3.980
   34    HA   GLN   5           HA       GLN   5 -16.862  -4.517  -5.965
   35    HB2  GLN   5           HB2      GLN   5 -18.888  -2.276  -5.793
   36    HB3  GLN   5           HB1      GLN   5 -17.709  -2.477  -7.082
   37    HG2  GLN   5           HG2      GLN   5 -18.748  -4.631  -7.658
   38    HG3  GLN   5           HG1      GLN   5 -19.960  -4.355  -6.408
   39   HE21  GLN   5          HE21      GLN   5 -18.666  -1.805  -8.413
   40   HE22  GLN   5          HE22      GLN   5 -20.110  -1.518  -9.315
   41    H    LEU   6           HN       LEU   6 -17.886  -2.195  -3.537
   42    HA   LEU   6           HA       LEU   6 -15.550  -0.595  -3.649
   43    HB2  LEU   6           HB2      LEU   6 -17.797  -0.935  -1.707
   44    HB3  LEU   6           HB1      LEU   6 -16.366  -0.066  -1.214
   45    HG   LEU   6           HG       LEU   6 -18.291   1.347  -2.008
   46   HD11  LEU   6          HD11      LEU   6 -15.977   2.162  -1.854
   47   HD12  LEU   6          HD12      LEU   6 -16.879   2.922  -3.165
   48   HD13  LEU   6          HD13      LEU   6 -15.704   1.659  -3.523
   49   HD21  LEU   6          HD21      LEU   6 -19.004  -0.019  -3.891
   50   HD22  LEU   6          HD22      LEU   6 -17.464   0.268  -4.701
   51   HD23  LEU   6          HD23      LEU   6 -18.578   1.606  -4.423
   52    H    GLU   7           HN       GLU   7 -16.607  -3.255  -1.537
   53    HA   GLU   7           HA       GLU   7 -14.262  -3.365   0.012
   54    HB2  GLU   7           HB2      GLU   7 -16.373  -4.515   0.614
   55    HB3  GLU   7           HB1      GLU   7 -16.105  -5.654  -0.698
   56    HG2  GLU   7           HG2      GLU   7 -14.082  -6.450   0.376
   57    HG3  GLU   7           HG1      GLU   7 -14.288  -5.271   1.671
   58    H    ASP   8           HN       ASP   8 -15.091  -4.806  -3.133
   59    HA   ASP   8           HA       ASP   8 -12.755  -6.399  -3.332
   60    HB2  ASP   8           HB2      ASP   8 -14.781  -5.418  -5.224
   61    HB3  ASP   8           HB1      ASP   8 -13.196  -5.718  -5.932
   62    H    LYS   9           HN       LYS   9 -13.310  -2.990  -3.898
   63    HA   LYS   9           HA       LYS   9 -10.769  -2.486  -5.098
   64    HB2  LYS   9           HB2      LYS   9 -12.640  -0.591  -3.664
   65    HB3  LYS   9           HB1      LYS   9 -11.255  -0.109  -4.628
   66    HG2  LYS   9           HG2      LYS   9 -12.296  -1.017  -6.622
   67    HG3  LYS   9           HG1      LYS   9 -13.668  -1.580  -5.666
   68    HD2  LYS   9           HD2      LYS   9 -14.165   0.746  -5.049
   69    HD3  LYS   9           HD1      LYS   9 -12.813   1.288  -6.046
   70    HE2  LYS   9           HE2      LYS   9 -13.895   0.302  -8.017
   71    HE3  LYS   9           HE1      LYS   9 -15.253  -0.196  -7.010
   72    HZ1  LYS   9           HZ1      LYS   9 -15.610   2.171  -6.484
   73    HZ2  LYS   9           HZ2      LYS   9 -15.805   1.825  -8.124
   74    HZ3  LYS   9           HZ3      LYS   9 -14.395   2.583  -7.584
   75    H    VAL  10           HN       VAL  10 -12.069  -2.182  -1.818
   76    HA   VAL  10           HA       VAL  10  -9.864  -1.077  -0.533
   77    HB   VAL  10           HB       VAL  10 -11.523  -3.232   0.757
   78   HG11  VAL  10          HG11      VAL  10 -11.198  -1.875   2.767
   79   HG12  VAL  10          HG12      VAL  10 -10.261  -0.716   1.820
   80   HG13  VAL  10          HG13      VAL  10  -9.663  -2.363   2.048
   81   HG21  VAL  10          HG21      VAL  10 -12.351  -0.351   0.597
   82   HG22  VAL  10          HG22      VAL  10 -13.246  -1.694   1.305
   83   HG23  VAL  10          HG23      VAL  10 -13.010  -1.613  -0.441
   84    H    GLU  11           HN       GLU  11 -10.701  -4.512  -0.906
   85    HA   GLU  11           HA       GLU  11  -8.345  -5.450   0.380
   86    HB2  GLU  11           HB2      GLU  11 -10.256  -6.899  -1.469
   87    HB3  GLU  11           HB1      GLU  11  -9.051  -7.667  -0.443
   88    HG2  GLU  11           HG2      GLU  11 -11.375  -6.017   0.529
   89    HG3  GLU  11           HG1      GLU  11 -11.305  -7.777   0.508
   90    H    GLU  12           HN       GLU  12  -9.053  -4.532  -2.901
   91    HA   GLU  12           HA       GLU  12  -6.881  -5.924  -4.115
   92    HB2  GLU  12           HB2      GLU  12  -8.832  -5.087  -5.407
   93    HB3  GLU  12           HB1      GLU  12  -8.311  -3.439  -5.085
   94    HG2  GLU  12           HG2      GLU  12  -6.238  -3.850  -6.303
   95    HG3  GLU  12           HG1      GLU  12  -6.748  -5.505  -6.620
   96    H    LEU  13           HN       LEU  13  -7.370  -2.619  -2.930
   97    HA   LEU  13           HA       LEU  13  -4.707  -1.761  -3.376
   98    HB2  LEU  13           HB2      LEU  13  -6.747  -0.836  -1.353
   99    HB3  LEU  13           HB1      LEU  13  -5.222  -0.029  -1.659
  100    HG   LEU  13           HG       LEU  13  -7.545  -0.304  -3.561
  101   HD11  LEU  13          HD11      LEU  13  -7.781   1.406  -1.841
  102   HD12  LEU  13          HD12      LEU  13  -7.578   2.123  -3.438
  103   HD13  LEU  13          HD13      LEU  13  -6.227   2.095  -2.306
  104   HD21  LEU  13          HD21      LEU  13  -5.502  -0.559  -4.829
  105   HD22  LEU  13          HD22      LEU  13  -4.802   0.853  -4.036
  106   HD23  LEU  13          HD23      LEU  13  -6.183   1.042  -5.117
  107    H    LEU  14           HN       LEU  14  -6.333  -3.451  -0.804
  108    HA   LEU  14           HA       LEU  14  -4.328  -3.497   1.148
  109    HB2  LEU  14           HB2      LEU  14  -6.744  -4.315   1.274
  110    HB3  LEU  14           HB1      LEU  14  -6.182  -5.774   0.490
  111    HG   LEU  14           HG       LEU  14  -4.518  -5.980   2.433
  112   HD11  LEU  14          HD11      LEU  14  -4.838  -3.696   3.290
  113   HD12  LEU  14          HD12      LEU  14  -5.169  -4.928   4.506
  114   HD13  LEU  14          HD13      LEU  14  -6.506  -4.106   3.702
  115   HD21  LEU  14          HD21      LEU  14  -6.414  -7.465   2.113
  116   HD22  LEU  14          HD22      LEU  14  -7.475  -6.305   2.914
  117   HD23  LEU  14          HD23      LEU  14  -6.189  -7.100   3.823
  118    H    SER  15           HN       SER  15  -4.697  -5.215  -1.826
  119    HA   SER  15           HA       SER  15  -3.011  -7.413  -1.243
  120    HB2  SER  15           HB2      SER  15  -3.867  -6.308  -3.927
  121    HB3  SER  15           HB1      SER  15  -3.157  -7.896  -3.643
  122    HG   SER  15           HG       SER  15  -5.495  -7.121  -2.267
  123    H    LYS  16           HN       LYS  16  -2.497  -4.405  -3.144
  124    HA   LYS  16           HA       LYS  16   0.293  -5.056  -3.337
  125    HB2  LYS  16           HB2      LYS  16   0.673  -2.941  -4.400
  126    HB3  LYS  16           HB1      LYS  16  -0.718  -3.726  -5.125
  127    HG2  LYS  16           HG2      LYS  16  -2.210  -2.182  -4.189
  128    HG3  LYS  16           HG1      LYS  16  -1.015  -1.612  -3.019
  129    HD2  LYS  16           HD2      LYS  16   0.278  -0.565  -4.733
  130    HD3  LYS  16           HD1      LYS  16  -0.692  -1.310  -6.001
  131    HE2  LYS  16           HE2      LYS  16  -1.927   0.527  -3.984
  132    HE3  LYS  16           HE1      LYS  16  -1.102   1.164  -5.407
  133    HZ1  LYS  16           HZ1      LYS  16  -3.370  -0.757  -5.465
  134    HZ2  LYS  16           HZ2      LYS  16  -2.609  -0.075  -6.809
  135    HZ3  LYS  16           HZ3      LYS  16  -3.491   0.905  -5.755
  136    H    ASN  17           HN       ASN  17  -1.678  -3.019  -1.231
  137    HA   ASN  17           HA       ASN  17   0.259  -1.767   0.303
  138    HB2  ASN  17           HB2      ASN  17  -2.457  -2.774   0.771
  139    HB3  ASN  17           HB1      ASN  17  -1.463  -2.781   2.223
  140   HD21  ASN  17          HD21      ASN  17  -3.787  -1.163   1.425
  141   HD22  ASN  17          HD22      ASN  17  -3.275   0.481   1.572
  142    H    TYR  18           HN       TYR  18  -0.951  -5.094   0.541
  143    HA   TYR  18           HA       TYR  18   0.692  -5.977   2.634
  144    HB2  TYR  18           HB2      TYR  18  -1.205  -7.269   1.835
  145    HB3  TYR  18           HB1      TYR  18  -0.439  -7.486   0.268
  146    HD1  TYR  18           HD1      TYR  18   0.733  -9.433  -0.144
  147    HD2  TYR  18           HD2      TYR  18   0.138  -8.209   3.885
  148    HE1  TYR  18           HE1      TYR  18   1.733 -11.539   0.635
  149    HE2  TYR  18           HE2      TYR  18   1.141 -10.310   4.676
  150    HH   TYR  18           HH       TYR  18   1.472 -12.621   3.824
  151    H    HIS  19           HN       HIS  19   1.279  -5.825  -0.839
  152    HA   HIS  19           HA       HIS  19   3.774  -7.220  -0.680
  153    HB2  HIS  19           HB2      HIS  19   2.311  -5.801  -2.877
  154    HB3  HIS  19           HB1      HIS  19   3.981  -6.309  -3.104
  155    HD1  HIS  19           HD1      HIS  19   0.503  -7.660  -2.737
  156    HD2  HIS  19           HD2      HIS  19   4.373  -9.069  -3.332
  157    HE1  HIS  19           HE1      HIS  19   0.255 -10.082  -3.362
  158    HE2  HIS  19           HE2      HIS  19   2.614 -10.949  -3.567
  159    H    LEU  20           HN       LEU  20   2.840  -3.808  -0.987
  160    HA   LEU  20           HA       LEU  20   5.448  -2.763  -1.243
  161    HB2  LEU  20           HB2      LEU  20   3.210  -1.392   0.227
  162    HB3  LEU  20           HB1      LEU  20   4.535  -0.636  -0.623
  163    HG   LEU  20           HG       LEU  20   2.098  -1.937  -1.724
  164   HD11  LEU  20          HD11      LEU  20   1.871   0.182  -2.927
  165   HD12  LEU  20          HD12      LEU  20   3.311   0.775  -2.099
  166   HD13  LEU  20          HD13      LEU  20   1.862   0.374  -1.175
  167   HD21  LEU  20          HD21      LEU  20   3.947  -2.820  -3.036
  168   HD22  LEU  20          HD22      LEU  20   4.571  -1.186  -3.276
  169   HD23  LEU  20          HD23      LEU  20   3.025  -1.654  -3.986
  170    H    GLU  21           HN       GLU  21   3.388  -3.331   1.569
  171    HA   GLU  21           HA       GLU  21   5.053  -2.482   3.607
  172    HB2  GLU  21           HB2      GLU  21   2.967  -4.596   3.413
  173    HB3  GLU  21           HB1      GLU  21   3.988  -4.579   4.843
  174    HG2  GLU  21           HG2      GLU  21   2.337  -2.266   3.858
  175    HG3  GLU  21           HG1      GLU  21   1.891  -3.362   5.163
  176    H    ASN  22           HN       ASN  22   5.030  -5.667   2.047
  177    HA   ASN  22           HA       ASN  22   7.209  -6.671   3.587
  178    HB2  ASN  22           HB2      ASN  22   6.011  -7.618   0.980
  179    HB3  ASN  22           HB1      ASN  22   7.255  -8.492   1.867
  180   HD21  ASN  22          HD21      ASN  22   6.139  -7.782   4.470
  181   HD22  ASN  22          HD22      ASN  22   4.725  -8.759   4.663
  182    H    GLU  23           HN       GLU  23   6.900  -5.062   0.485
  183    HA   GLU  23           HA       GLU  23   9.527  -5.524  -0.433
  184    HB2  GLU  23           HB2      GLU  23   7.540  -4.725  -1.787
  185    HB3  GLU  23           HB1      GLU  23   7.807  -3.133  -1.091
  186    HG2  GLU  23           HG2      GLU  23   8.798  -3.232  -3.269
  187    HG3  GLU  23           HG1      GLU  23  10.070  -3.119  -2.053
  188    H    VAL  24           HN       VAL  24   8.080  -2.760   1.284
  189    HA   VAL  24           HA       VAL  24  10.383  -1.171   1.436
  190    HB   VAL  24           HB       VAL  24   8.145  -1.338   3.477
  191   HG11  VAL  24          HG11      VAL  24   8.820   0.921   4.108
  192   HG12  VAL  24          HG12      VAL  24  10.139   0.859   2.937
  193   HG13  VAL  24          HG13      VAL  24  10.146  -0.220   4.334
  194   HG21  VAL  24          HG21      VAL  24   7.300  -0.827   1.242
  195   HG22  VAL  24          HG22      VAL  24   8.458   0.496   1.104
  196   HG23  VAL  24          HG23      VAL  24   7.173   0.571   2.308
  197    H    ALA  25           HN       ALA  25   9.095  -3.604   3.666
  198    HA   ALA  25           HA       ALA  25  10.921  -3.250   5.748
  199    HB1  ALA  25           HB1      ALA  25   9.479  -5.778   4.945
  200    HB2  ALA  25           HB2      ALA  25   8.831  -4.506   5.982
  201    HB3  ALA  25           HB3      ALA  25  10.215  -5.462   6.516
  202    H    ARG  26           HN       ARG  26  11.099  -5.298   2.870
  203    HA   ARG  26           HA       ARG  26  13.501  -6.614   3.640
  204    HB2  ARG  26           HB2      ARG  26  11.829  -7.399   1.891
  205    HB3  ARG  26           HB1      ARG  26  12.538  -6.207   0.809
  206    HG2  ARG  26           HG2      ARG  26  14.656  -7.303   0.874
  207    HG3  ARG  26           HG1      ARG  26  14.111  -8.389   2.152
  208    HD2  ARG  26           HD2      ARG  26  14.033  -9.637   0.150
  209    HD3  ARG  26           HD1      ARG  26  12.367  -9.222   0.538
  210    HE   ARG  26           HE       ARG  26  13.807  -7.504  -1.338
  211   HH11  ARG  26          HH11      ARG  26  11.367  -9.948  -0.776
  212   HH12  ARG  26          HH12      ARG  26  10.672  -9.801  -2.354
  213   HH21  ARG  26          HH21      ARG  26  12.906  -7.322  -3.430
  214   HH22  ARG  26          HH22      ARG  26  11.548  -8.309  -3.870
  215    H    LEU  27           HN       LEU  27  12.816  -3.886   1.481
  216    HA   LEU  27           HA       LEU  27  15.463  -3.320   0.745
  217    HB2  LEU  27           HB2      LEU  27  12.915  -1.788   0.796
  218    HB3  LEU  27           HB1      LEU  27  14.400  -0.894   0.619
  219    HG   LEU  27           HG       LEU  27  14.894  -1.869  -1.465
  220   HD11  LEU  27          HD11      LEU  27  12.664  -3.841  -0.969
  221   HD12  LEU  27          HD12      LEU  27  14.390  -4.198  -0.929
  222   HD13  LEU  27          HD13      LEU  27  13.626  -3.714  -2.443
  223   HD21  LEU  27          HD21      LEU  27  13.186  -0.189  -1.619
  224   HD22  LEU  27          HD22      LEU  27  11.931  -1.380  -1.277
  225   HD23  LEU  27          HD23      LEU  27  12.843  -1.469  -2.783
  226    H    LYS  28           HN       LYS  28  13.537  -2.309   3.496
  227    HA   LYS  28           HA       LYS  28  15.116  -0.275   4.529
  228    HB2  LYS  28           HB2      LYS  28  12.805  -1.295   5.266
  229    HB3  LYS  28           HB1      LYS  28  13.798  -2.255   6.350
  230    HG2  LYS  28           HG2      LYS  28  13.072  -0.406   7.599
  231    HG3  LYS  28           HG1      LYS  28  14.758  -0.076   7.193
  232    HD2  LYS  28           HD2      LYS  28  12.873   0.918   5.201
  233    HD3  LYS  28           HD1      LYS  28  12.642   1.634   6.794
  234    HE2  LYS  28           HE2      LYS  28  15.278   1.511   5.338
  235    HE3  LYS  28           HE1      LYS  28  14.198   2.903   5.329
  236    HZ1  LYS  28           HZ1      LYS  28  15.895   3.210   6.967
  237    HZ2  LYS  28           HZ2      LYS  28  15.544   1.723   7.703
  238    HZ3  LYS  28           HZ3      LYS  28  14.418   2.990   7.759
  239    H    LYS  29           HN       LYS  29  15.307  -3.773   5.056
  240    HA   LYS  29           HA       LYS  29  17.558  -3.545   6.844
  241    HB2  LYS  29           HB2      LYS  29  16.414  -6.013   5.525
  242    HB3  LYS  29           HB1      LYS  29  17.510  -5.977   6.899
  243    HG2  LYS  29           HG2      LYS  29  14.701  -4.889   6.876
  244    HG3  LYS  29           HG1      LYS  29  15.199  -6.439   7.559
  245    HD2  LYS  29           HD2      LYS  29  16.220  -3.744   8.465
  246    HD3  LYS  29           HD1      LYS  29  14.930  -4.657   9.260
  247    HE2  LYS  29           HE2      LYS  29  16.524  -6.515   9.618
  248    HE3  LYS  29           HE1      LYS  29  17.800  -5.524   8.913
  249    HZ1  LYS  29           HZ1      LYS  29  17.402  -3.890  10.682
  250    HZ2  LYS  29           HZ2      LYS  29  17.892  -5.386  11.290
  251    HZ3  LYS  29           HZ3      LYS  29  16.268  -4.928  11.383
  252    H    LEU  30           HN       LEU  30  17.096  -3.733   3.478
  253    HA   LEU  30           HA       LEU  30  19.671  -4.884   2.882
  254    HB2  LEU  30           HB2      LEU  30  17.530  -3.681   1.156
  255    HB3  LEU  30           HB1      LEU  30  19.063  -4.243   0.516
  256    HG   LEU  30           HG       LEU  30  17.199  -6.033   2.068
  257   HD11  LEU  30          HD11      LEU  30  17.355  -5.534  -0.888
  258   HD12  LEU  30          HD12      LEU  30  15.970  -5.279   0.174
  259   HD13  LEU  30          HD13      LEU  30  16.541  -6.914  -0.154
  260   HD21  LEU  30          HD21      LEU  30  19.419  -6.913   1.984
  261   HD22  LEU  30          HD22      LEU  30  19.568  -6.527   0.271
  262   HD23  LEU  30          HD23      LEU  30  18.459  -7.792   0.797
  263    H    VAL  31           HN       VAL  31  18.209  -1.690   3.003
  264    HA   VAL  31           HA       VAL  31  20.577  -0.299   2.194
  265    HB   VAL  31           HB       VAL  31  18.284   0.677   3.927
  266   HG11  VAL  31          HG11      VAL  31  20.403   2.228   2.442
  267   HG12  VAL  31          HG12      VAL  31  20.256   2.071   4.193
  268   HG13  VAL  31          HG13      VAL  31  19.017   2.928   3.277
  269   HG21  VAL  31          HG21      VAL  31  17.432   1.716   1.878
  270   HG22  VAL  31          HG22      VAL  31  17.504  -0.040   1.741
  271   HG23  VAL  31          HG23      VAL  31  18.732   0.956   0.958
  272    H    GLY  32           HN       GLY  32  19.320  -1.669   5.112
  273    HA2  GLY  32           HA2      GLY  32  20.704  -2.525   6.808
  274    HA3  GLY  32           HA1      GLY  32  21.959  -1.393   6.330
  275    H    GLU  33           HN       GLU  33  18.629  -0.453   6.844
  276    HA   GLU  33           HA       GLU  33  19.439   0.836   9.358
  277    HB2  GLU  33           HB2      GLU  33  19.473   2.449   7.432
  278    HB3  GLU  33           HB1      GLU  33  17.752   2.161   7.228
  279    HG2  GLU  33           HG2      GLU  33  18.123   4.207   8.449
  280    HG3  GLU  33           HG1      GLU  33  17.346   3.012   9.485
  281    H1   GLY   1           HT1      GLY   1 -23.137   3.214   6.921
  282    H2   GLY   1           HT2      GLY   1 -24.320   2.030   6.676
  283    H3   GLY   1           HT3      GLY   1 -24.773   3.648   6.851
  284    HA2  GLY   1           HA1      GLY   1 -24.886   2.981   4.537
  285    HA3  GLY   1           HA2      GLY   1 -23.666   4.222   4.792
  286    H    SER   2           HN       SER   2 -23.442   2.780   2.550
  287    HA   SER   2           HA       SER   2 -21.397   0.750   3.135
  288    HB2  SER   2           HB2      SER   2 -21.868   0.051   0.719
  289    HB3  SER   2           HB1      SER   2 -23.155  -0.252   1.890
  290    HG   SER   2           HG       SER   2 -24.357   0.891   0.613
  291    H    MET   3           HN       MET   3 -22.183   3.054   0.555
  292    HA   MET   3           HA       MET   3 -19.795   3.024  -0.776
  293    HB2  MET   3           HB2      MET   3 -21.646   5.385  -0.439
  294    HB3  MET   3           HB1      MET   3 -20.418   5.226  -1.687
  295    HG2  MET   3           HG2      MET   3 -22.803   3.423  -1.334
  296    HG3  MET   3           HG1      MET   3 -22.656   4.717  -2.520
  297    HE1  MET   3           HE1      MET   3 -19.844   3.382  -4.876
  298    HE2  MET   3           HE2      MET   3 -19.606   4.411  -3.464
  299    HE3  MET   3           HE3      MET   3 -20.976   4.692  -4.538
  300    H    LYS   4           HN       LYS   4 -20.688   5.493   1.655
  301    HA   LYS   4           HA       LYS   4 -18.205   6.847   1.384
  302    HB2  LYS   4           HB2      LYS   4 -20.361   7.052   3.478
  303    HB3  LYS   4           HB1      LYS   4 -18.954   8.103   3.407
  304    HG2  LYS   4           HG2      LYS   4 -19.644   8.910   1.221
  305    HG3  LYS   4           HG1      LYS   4 -21.034   7.824   1.249
  306    HD2  LYS   4           HD2      LYS   4 -21.641  10.128   1.866
  307    HD3  LYS   4           HD1      LYS   4 -21.936   8.989   3.181
  308    HE2  LYS   4           HE2      LYS   4 -19.875   9.674   4.267
  309    HE3  LYS   4           HE1      LYS   4 -19.506  10.757   2.927
  310    HZ1  LYS   4           HZ1      LYS   4 -21.465  12.047   3.471
  311    HZ2  LYS   4           HZ2      LYS   4 -20.443  11.941   4.810
  312    HZ3  LYS   4           HZ3      LYS   4 -21.842  10.999   4.741
  313    H    GLN   5           HN       GLN   5 -19.045   4.088   3.167
  314    HA   GLN   5           HA       GLN   5 -17.045   4.600   5.237
  315    HB2  GLN   5           HB2      GLN   5 -19.080   2.373   4.993
  316    HB3  GLN   5           HB1      GLN   5 -17.948   2.567   6.325
  317    HG2  GLN   5           HG2      GLN   5 -18.988   4.733   6.857
  318    HG3  GLN   5           HG1      GLN   5 -20.156   4.465   5.564
  319   HE21  GLN   5          HE21      GLN   5 -18.956   1.919   7.631
  320   HE22  GLN   5          HE22      GLN   5 -20.440   1.639   8.468
  321    H    LEU   6           HN       LEU   6 -17.981   2.279   2.775
  322    HA   LEU   6           HA       LEU   6 -15.665   0.664   2.985
  323    HB2  LEU   6           HB2      LEU   6 -17.826   1.019   0.950
  324    HB3  LEU   6           HB1      LEU   6 -16.383   0.137   0.519
  325    HG   LEU   6           HG       LEU   6 -18.352  -1.261   1.235
  326   HD11  LEU   6          HD11      LEU   6 -16.039  -2.093   1.178
  327   HD12  LEU   6          HD12      LEU   6 -16.999  -2.845   2.451
  328   HD13  LEU   6          HD13      LEU   6 -15.831  -1.591   2.857
  329   HD21  LEU   6          HD21      LEU   6 -19.129   0.115   3.089
  330   HD22  LEU   6          HD22      LEU   6 -17.625  -0.187   3.960
  331   HD23  LEU   6          HD23      LEU   6 -18.739  -1.516   3.635
  332    H    GLU   7           HN       GLU   7 -16.615   3.324   0.823
  333    HA   GLU   7           HA       GLU   7 -14.208   3.421  -0.626
  334    HB2  GLU   7           HB2      GLU   7 -16.285   4.585  -1.314
  335    HB3  GLU   7           HB1      GLU   7 -16.064   5.721   0.009
  336    HG2  GLU   7           HG2      GLU   7 -13.991   6.503  -0.981
  337    HG3  GLU   7           HG1      GLU   7 -14.157   5.330  -2.285
  338    H    ASP   8           HN       ASP   8 -15.156   4.878   2.475
  339    HA   ASP   8           HA       ASP   8 -12.818   6.449   2.768
  340    HB2  ASP   8           HB2      ASP   8 -14.929   5.491   4.577
  341    HB3  ASP   8           HB1      ASP   8 -13.373   5.781   5.350
  342    H    LYS   9           HN       LYS   9 -13.415   3.043   3.309
  343    HA   LYS   9           HA       LYS   9 -10.928   2.527   4.624
  344    HB2  LYS   9           HB2      LYS   9 -12.760   0.642   3.120
  345    HB3  LYS   9           HB1      LYS   9 -11.416   0.150   4.139
  346    HG2  LYS   9           HG2      LYS   9 -12.527   1.072   6.090
  347    HG3  LYS   9           HG1      LYS   9 -13.856   1.642   5.078
  348    HD2  LYS   9           HD2      LYS   9 -14.342  -0.681   4.438
  349    HD3  LYS   9           HD1      LYS   9 -13.034  -1.232   5.488
  350    HE2  LYS   9           HE2      LYS   9 -14.190  -0.243   7.415
  351    HE3  LYS   9           HE1      LYS   9 -15.507   0.260   6.357
  352    HZ1  LYS   9           HZ1      LYS   9 -15.850  -2.110   5.817
  353    HZ2  LYS   9           HZ2      LYS   9 -16.105  -1.760   7.449
  354    HZ3  LYS   9           HZ3      LYS   9 -14.677  -2.524   6.962
  355    H    VAL  10           HN       VAL  10 -12.101   2.218   1.293
  356    HA   VAL  10           HA       VAL  10  -9.853   1.098   0.100
  357    HB   VAL  10           HB       VAL  10 -11.444   3.264  -1.256
  358   HG11  VAL  10          HG11      VAL  10 -11.052   1.903  -3.251
  359   HG12  VAL  10          HG12      VAL  10 -10.160   0.739  -2.267
  360   HG13  VAL  10          HG13      VAL  10  -9.545   2.382  -2.471
  361   HG21  VAL  10          HG21      VAL  10 -12.303   0.390  -1.127
  362   HG22  VAL  10          HG22      VAL  10 -13.157   1.740  -1.870
  363   HG23  VAL  10          HG23      VAL  10 -12.993   1.659  -0.117
  364    H    GLU  11           HN       GLU  11 -10.685   4.543   0.426
  365    HA   GLU  11           HA       GLU  11  -8.269   5.462  -0.757
  366    HB2  GLU  11           HB2      GLU  11 -10.242   6.933   1.009
  367    HB3  GLU  11           HB1      GLU  11  -8.993   7.685   0.026
  368    HG2  GLU  11           HG2      GLU  11 -11.281   6.039  -1.031
  369    HG3  GLU  11           HG1      GLU  11 -11.212   7.799  -1.008
  370    H    GLU  12           HN       GLU  12  -9.117   4.556   2.494
  371    HA   GLU  12           HA       GLU  12  -6.989   5.938   3.795
  372    HB2  GLU  12           HB2      GLU  12  -8.989   5.106   5.005
  373    HB3  GLU  12           HB1      GLU  12  -8.467   3.456   4.698
  374    HG2  GLU  12           HG2      GLU  12  -6.444   3.844   6.001
  375    HG3  GLU  12           HG1      GLU  12  -6.950   5.505   6.298
  376    H    LEU  13           HN       LEU  13  -7.448   2.629   2.606
  377    HA   LEU  13           HA       LEU  13  -4.810   1.756   3.145
  378    HB2  LEU  13           HB2      LEU  13  -6.776   0.841   1.043
  379    HB3  LEU  13           HB1      LEU  13  -5.272   0.023   1.415
  380    HG   LEU  13           HG       LEU  13  -7.670   0.322   3.219
  381   HD11  LEU  13          HD11      LEU  13  -7.848  -1.393   1.494
  382   HD12  LEU  13          HD12      LEU  13  -7.712  -2.108   3.100
  383   HD13  LEU  13          HD13      LEU  13  -6.316  -2.088   2.023
  384   HD21  LEU  13          HD21      LEU  13  -5.680   0.562   4.570
  385   HD22  LEU  13          HD22      LEU  13  -4.959  -0.856   3.811
  386   HD23  LEU  13          HD23      LEU  13  -6.387  -1.032   4.831
  387    H    LEU  14           HN       LEU  14  -6.321   3.448   0.503
  388    HA   LEU  14           HA       LEU  14  -4.237   3.483  -1.363
  389    HB2  LEU  14           HB2      LEU  14  -6.642   4.317  -1.584
  390    HB3  LEU  14           HB1      LEU  14  -6.101   5.773  -0.780
  391    HG   LEU  14           HG       LEU  14  -4.360   5.962  -2.656
  392   HD11  LEU  14          HD11      LEU  14  -4.665   3.679  -3.519
  393   HD12  LEU  14          HD12      LEU  14  -4.933   4.914  -4.749
  394   HD13  LEU  14          HD13      LEU  14  -6.310   4.105  -4.001
  395   HD21  LEU  14          HD21      LEU  14  -6.258   7.459  -2.410
  396   HD22  LEU  14          HD22      LEU  14  -7.292   6.308  -3.258
  397   HD23  LEU  14          HD23      LEU  14  -5.962   7.094  -4.109
  398    H    SER  15           HN       SER  15  -4.710   5.195   1.601
  399    HA   SER  15           HA       SER  15  -2.992   7.387   1.073
  400    HB2  SER  15           HB2      SER  15  -3.966   6.308   3.726
  401    HB3  SER  15           HB1      SER  15  -3.237   7.891   3.460
  402    HG   SER  15           HG       SER  15  -5.520   7.093   1.999
  403    H    LYS  16           HN       LYS  16  -2.576   4.376   2.991
  404    HA   LYS  16           HA       LYS  16   0.210   5.014   3.302
  405    HB2  LYS  16           HB2      LYS  16   0.530   2.898   4.386
  406    HB3  LYS  16           HB1      LYS  16  -0.884   3.695   5.052
  407    HG2  LYS  16           HG2      LYS  16  -2.348   2.163   4.059
  408    HG3  LYS  16           HG1      LYS  16  -1.112   1.578   2.939
  409    HD2  LYS  16           HD2      LYS  16   0.100   0.522   4.706
  410    HD3  LYS  16           HD1      LYS  16  -0.911   1.279   5.933
  411    HE2  LYS  16           HE2      LYS  16  -2.084  -0.551   3.873
  412    HE3  LYS  16           HE1      LYS  16  -1.327  -1.193   5.330
  413    HZ1  LYS  16           HZ1      LYS  16  -3.577   0.749   5.281
  414    HZ2  LYS  16           HZ2      LYS  16  -2.874   0.079   6.664
  415    HZ3  LYS  16           HZ3      LYS  16  -3.723  -0.906   5.589
  416    H    ASN  17           HN       ASN  17  -1.690   2.986   1.125
  417    HA   ASN  17           HA       ASN  17   0.298   1.719  -0.328
  418    HB2  ASN  17           HB2      ASN  17  -2.389   2.745  -0.905
  419    HB3  ASN  17           HB1      ASN  17  -1.338   2.738  -2.316
  420   HD21  ASN  17          HD21      ASN  17  -3.705   1.142  -1.605
  421   HD22  ASN  17          HD22      ASN  17  -3.202  -0.507  -1.730
  422    H    TYR  18           HN       TYR  18  -0.883   5.050  -0.629
  423    HA   TYR  18           HA       TYR  18   0.851   5.916  -2.651
  424    HB2  TYR  18           HB2      TYR  18  -1.065   7.223  -1.937
  425    HB3  TYR  18           HB1      TYR  18  -0.367   7.437  -0.338
  426    HD1  TYR  18           HD1      TYR  18   0.799   9.377   0.122
  427    HD2  TYR  18           HD2      TYR  18   0.375   8.151  -3.930
  428    HE1  TYR  18           HE1      TYR  18   1.842  11.471  -0.616
  429    HE2  TYR  18           HE2      TYR  18   1.422  10.247  -4.679
  430    HH   TYR  18           HH       TYR  18   1.730  12.553  -3.808
  431    H    HIS  19           HN       HIS  19   1.296   5.777   0.844
  432    HA   HIS  19           HA       HIS  19   3.808   7.153   0.784
  433    HB2  HIS  19           HB2      HIS  19   2.242   5.753   2.923
  434    HB3  HIS  19           HB1      HIS  19   3.905   6.246   3.216
  435    HD1  HIS  19           HD1      HIS  19   0.458   7.626   2.715
  436    HD2  HIS  19           HD2      HIS  19   4.314   9.002   3.450
  437    HE1  HIS  19           HE1      HIS  19   0.209  10.052   3.322
  438    HE2  HIS  19           HE2      HIS  19   2.565  10.898   3.615
  439    H    LEU  20           HN       LEU  20   2.836   3.746   1.054
  440    HA   LEU  20           HA       LEU  20   5.424   2.682   1.423
  441    HB2  LEU  20           HB2      LEU  20   3.236   1.321  -0.132
  442    HB3  LEU  20           HB1      LEU  20   4.520   0.559   0.771
  443    HG   LEU  20           HG       LEU  20   2.052   1.879   1.772
  444   HD11  LEU  20          HD11      LEU  20   1.764  -0.238   2.967
  445   HD12  LEU  20          HD12      LEU  20   3.231  -0.841   2.194
  446   HD13  LEU  20          HD13      LEU  20   1.822  -0.429   1.216
  447   HD21  LEU  20          HD21      LEU  20   3.856   2.753   3.154
  448   HD22  LEU  20          HD22      LEU  20   4.458   1.118   3.421
  449   HD23  LEU  20          HD23      LEU  20   2.889   1.597   4.071
  450    H    GLU  21           HN       GLU  21   3.483   3.256  -1.470
  451    HA   GLU  21           HA       GLU  21   5.225   2.393  -3.437
  452    HB2  GLU  21           HB2      GLU  21   3.147   4.525  -3.334
  453    HB3  GLU  21           HB1      GLU  21   4.227   4.498  -4.722
  454    HG2  GLU  21           HG2      GLU  21   2.522   2.197  -3.801
  455    HG3  GLU  21           HG1      GLU  21   2.132   3.293  -5.124
  456    H    ASN  22           HN       ASN  22   5.157   5.591  -1.898
  457    HA   ASN  22           HA       ASN  22   7.410   6.571  -3.341
  458    HB2  ASN  22           HB2      ASN  22   6.115   7.532  -0.782
  459    HB3  ASN  22           HB1      ASN  22   7.398   8.393  -1.620
  460   HD21  ASN  22          HD21      ASN  22   6.390   7.696  -4.264
  461   HD22  ASN  22          HD22      ASN  22   4.991   8.674  -4.517
  462    H    GLU  23           HN       GLU  23   6.962   4.961  -0.256
  463    HA   GLU  23           HA       GLU  23   9.554   5.409   0.772
  464    HB2  GLU  23           HB2      GLU  23   7.508   4.626   2.046
  465    HB3  GLU  23           HB1      GLU  23   7.795   3.030   1.367
  466    HG2  GLU  23           HG2      GLU  23   8.700   3.133   3.585
  467    HG3  GLU  23           HG1      GLU  23  10.016   3.008   2.420
  468    H    VAL  24           HN       VAL  24   8.157   2.655  -0.999
  469    HA   VAL  24           HA       VAL  24  10.454   1.050  -1.053
  470    HB   VAL  24           HB       VAL  24   8.299   1.227  -3.181
  471   HG11  VAL  24          HG11      VAL  24   8.985  -1.037  -3.780
  472   HG12  VAL  24          HG12      VAL  24  10.256  -0.981  -2.558
  473   HG13  VAL  24          HG13      VAL  24  10.328   0.094  -3.955
  474   HG21  VAL  24          HG21      VAL  24   7.363   0.726  -0.982
  475   HG22  VAL  24          HG22      VAL  24   8.507  -0.602  -0.794
  476   HG23  VAL  24          HG23      VAL  24   7.272  -0.674  -2.050
  477    H    ALA  25           HN       ALA  25   9.269   3.482  -3.345
  478    HA   ALA  25           HA       ALA  25  11.183   3.114  -5.341
  479    HB1  ALA  25           HB1      ALA  25   9.727   5.652  -4.601
  480    HB2  ALA  25           HB2      ALA  25   9.113   4.383  -5.661
  481    HB3  ALA  25           HB3      ALA  25  10.525   5.328  -6.139
  482    H    ARG  26           HN       ARG  26  11.253   5.165  -2.457
  483    HA   ARG  26           HA       ARG  26  13.690   6.469  -3.136
  484    HB2  ARG  26           HB2      ARG  26  11.962   7.271  -1.458
  485    HB3  ARG  26           HB1      ARG  26  12.617   6.078  -0.344
  486    HG2  ARG  26           HG2      ARG  26  14.748   7.156  -0.332
  487    HG3  ARG  26           HG1      ARG  26  14.262   8.245  -1.632
  488    HD2  ARG  26           HD2      ARG  26  14.122   9.497   0.365
  489    HD3  ARG  26           HD1      ARG  26  12.466   9.096  -0.084
  490    HE   ARG  26           HE       ARG  26  13.824   7.375   1.854
  491   HH11  ARG  26          HH11      ARG  26  11.414   9.826   1.184
  492   HH12  ARG  26          HH12      ARG  26  10.657   9.685   2.738
  493   HH21  ARG  26          HH21      ARG  26  12.837   7.200   3.906
  494   HH22  ARG  26          HH22      ARG  26  11.470   8.201   4.291
  495    H    LEU  27           HN       LEU  27  12.904   3.746  -1.005
  496    HA   LEU  27           HA       LEU  27  15.518   3.168  -0.159
  497    HB2  LEU  27           HB2      LEU  27  12.962   1.656  -0.310
  498    HB3  LEU  27           HB1      LEU  27  14.432   0.749  -0.074
  499    HG   LEU  27           HG       LEU  27  14.847   1.724   2.030
  500   HD11  LEU  27          HD11      LEU  27  12.657   3.713   1.441
  501   HD12  LEU  27          HD12      LEU  27  14.387   4.055   1.470
  502   HD13  LEU  27          HD13      LEU  27  13.557   3.582   2.952
  503   HD21  LEU  27          HD21      LEU  27  13.122   0.058   2.115
  504   HD22  LEU  27          HD22      LEU  27  11.891   1.258   1.723
  505   HD23  LEU  27          HD23      LEU  27  12.743   1.342   3.263
  506    H    LYS  28           HN       LYS  28  13.699   2.164  -2.985
  507    HA   LYS  28           HA       LYS  28  15.306   0.120  -3.950
  508    HB2  LYS  28           HB2      LYS  28  13.030   1.150  -4.782
  509    HB3  LYS  28           HB1      LYS  28  14.072   2.102  -5.826
  510    HG2  LYS  28           HG2      LYS  28  13.385   0.255  -7.101
  511    HG3  LYS  28           HG1      LYS  28  15.051  -0.084  -6.630
  512    HD2  LYS  28           HD2      LYS  28  13.081  -1.063  -4.712
  513    HD3  LYS  28           HD1      LYS  28  12.908  -1.779  -6.314
  514    HE2  LYS  28           HE2      LYS  28  15.487  -1.676  -4.755
  515    HE3  LYS  28           HE1      LYS  28  14.397  -3.060  -4.793
  516    HZ1  LYS  28           HZ1      LYS  28  16.159  -3.370  -6.367
  517    HZ2  LYS  28           HZ2      LYS  28  15.843  -1.879  -7.108
  518    HZ3  LYS  28           HZ3      LYS  28  14.715  -3.141  -7.216
  519    H    LYS  29           HN       LYS  29  15.540   3.612  -4.482
  520    HA   LYS  29           HA       LYS  29  17.863   3.366  -6.173
  521    HB2  LYS  29           HB2      LYS  29  16.676   5.841  -4.905
  522    HB3  LYS  29           HB1      LYS  29  17.825   5.798  -6.233
  523    HG2  LYS  29           HG2      LYS  29  15.012   4.722  -6.320
  524    HG3  LYS  29           HG1      LYS  29  15.544   6.271  -6.985
  525    HD2  LYS  29           HD2      LYS  29  16.583   3.568  -7.847
  526    HD3  LYS  29           HD1      LYS  29  15.336   4.493  -8.696
  527    HE2  LYS  29           HE2      LYS  29  16.960   6.336  -8.978
  528    HE3  LYS  29           HE1      LYS  29  18.197   5.332  -8.225
  529    HZ1  LYS  29           HZ1      LYS  29  17.863   3.710 -10.013
  530    HZ2  LYS  29           HZ2      LYS  29  18.380   5.207 -10.599
  531    HZ3  LYS  29           HZ3      LYS  29  16.759   4.755 -10.754
  532    H    LEU  30           HN       LEU  30  17.268   3.552  -2.827
  533    HA   LEU  30           HA       LEU  30  19.825   4.694  -2.126
  534    HB2  LEU  30           HB2      LEU  30  17.605   3.510  -0.489
  535    HB3  LEU  30           HB1      LEU  30  19.111   4.064   0.214
  536    HG   LEU  30           HG       LEU  30  17.326   5.860  -1.419
  537   HD11  LEU  30          HD11      LEU  30  17.351   5.368   1.542
  538   HD12  LEU  30          HD12      LEU  30  16.010   5.125   0.423
  539   HD13  LEU  30          HD13      LEU  30  16.582   6.754   0.773
  540   HD21  LEU  30          HD21      LEU  30  19.544   6.728  -1.243
  541   HD22  LEU  30          HD22      LEU  30  19.618   6.348   0.476
  542   HD23  LEU  30          HD23      LEU  30  18.538   7.616  -0.101
  543    H    VAL  31           HN       VAL  31  18.345   1.514  -2.310
  544    HA   VAL  31           HA       VAL  31  20.662   0.106  -1.396
  545    HB   VAL  31           HB       VAL  31  18.435  -0.856  -3.219
  546   HG11  VAL  31          HG11      VAL  31  20.480  -2.420  -1.647
  547   HG12  VAL  31          HG12      VAL  31  20.410  -2.263  -3.402
  548   HG13  VAL  31          HG13      VAL  31  19.126  -3.111  -2.540
  549   HG21  VAL  31          HG21      VAL  31  17.494  -1.885  -1.204
  550   HG22  VAL  31          HG22      VAL  31  17.574  -0.129  -1.066
  551   HG23  VAL  31          HG23      VAL  31  18.761  -1.133  -0.234
  552    H    GLY  32           HN       GLY  32  19.541   1.482  -4.366
  553    HA2  GLY  32           HA2      GLY  32  20.994   2.322  -6.010
  554    HA3  GLY  32           HA1      GLY  32  22.226   1.184  -5.478
  555    H    GLU  33           HN       GLU  33  18.911   0.267  -6.124
  556    HA   GLU  33           HA       GLU  33  19.808  -1.041  -8.596
  557    HB2  GLU  33           HB2      GLU  33  19.754  -2.647  -6.666
  558    HB3  GLU  33           HB1      GLU  33  18.028  -2.345  -6.530
  559    HG2  GLU  33           HG2      GLU  33  18.437  -4.401  -7.733
  560    HG3  GLU  33           HG1      GLU  33  17.701  -3.203  -8.797
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -26.838  -6.376  -2.009
    2    H2   GLY   1           HT2      GLY   1 -25.254  -6.915  -2.245
    3    H3   GLY   1           HT3      GLY   1 -26.023  -6.003  -3.441
    4    HA2  GLY   1           HA1      GLY   1 -26.089  -4.081  -2.002
    5    HA3  GLY   1           HA2      GLY   1 -25.322  -5.024  -0.732
    6    H    SER   2           HN       SER   2 -23.808  -3.119  -0.932
    7    HA   SER   2           HA       SER   2 -21.832  -3.621  -3.057
    8    HB2  SER   2           HB2      SER   2 -21.077  -1.249  -2.473
    9    HB3  SER   2           HB1      SER   2 -22.640  -1.402  -3.280
   10    HG   SER   2           HG       SER   2 -22.807  -0.013  -1.501
   11    H    MET   3           HN       MET   3 -22.292  -4.668  -0.143
   12    HA   MET   3           HA       MET   3 -20.045  -3.829   1.360
   13    HB2  MET   3           HB2      MET   3 -21.887  -6.192   1.519
   14    HB3  MET   3           HB1      MET   3 -20.473  -6.094   2.554
   15    HG2  MET   3           HG2      MET   3 -22.479  -5.322   3.693
   16    HG3  MET   3           HG1      MET   3 -21.290  -4.035   3.531
   17    HE1  MET   3           HE1      MET   3 -21.494  -2.266   1.311
   18    HE2  MET   3           HE2      MET   3 -21.938  -1.741   2.934
   19    HE3  MET   3           HE3      MET   3 -22.971  -1.335   1.564
   20    H    LYS   4           HN       LYS   4 -20.600  -6.472  -0.888
   21    HA   LYS   4           HA       LYS   4 -17.998  -7.621  -0.577
   22    HB2  LYS   4           HB2      LYS   4 -20.083  -7.954  -2.738
   23    HB3  LYS   4           HB1      LYS   4 -18.597  -8.887  -2.647
   24    HG2  LYS   4           HG2      LYS   4 -19.288  -9.848  -0.539
   25    HG3  LYS   4           HG1      LYS   4 -20.745  -8.852  -0.539
   26    HD2  LYS   4           HD2      LYS   4 -21.502  -9.950  -2.586
   27    HD3  LYS   4           HD1      LYS   4 -20.039 -10.935  -2.604
   28    HE2  LYS   4           HE2      LYS   4 -22.080 -10.938  -0.388
   29    HE3  LYS   4           HE1      LYS   4 -22.032 -12.110  -1.702
   30    HZ1  LYS   4           HZ1      LYS   4 -20.955 -12.950   0.288
   31    HZ2  LYS   4           HZ2      LYS   4 -19.866 -11.660   0.277
   32    HZ3  LYS   4           HZ3      LYS   4 -19.841 -12.796  -0.973
   33    H    GLN   5           HN       GLN   5 -18.977  -4.784  -1.889
   34    HA   GLN   5           HA       GLN   5 -17.021  -4.763  -4.062
   35    HB2  GLN   5           HB2      GLN   5 -19.097  -2.689  -3.308
   36    HB3  GLN   5           HB1      GLN   5 -18.047  -2.629  -4.717
   37    HG2  GLN   5           HG2      GLN   5 -20.149  -4.719  -4.191
   38    HG3  GLN   5           HG1      GLN   5 -20.320  -3.342  -5.275
   39   HE21  GLN   5          HE21      GLN   5 -18.871  -6.450  -4.802
   40   HE22  GLN   5          HE22      GLN   5 -18.313  -6.663  -6.420
   41    H    LEU   6           HN       LEU   6 -17.998  -3.037  -1.130
   42    HA   LEU   6           HA       LEU   6 -15.721  -1.454  -0.768
   43    HB2  LEU   6           HB2      LEU   6 -17.842  -2.557   0.949
   44    HB3  LEU   6           HB1      LEU   6 -16.334  -2.382   1.797
   45    HG   LEU   6           HG       LEU   6 -16.770   0.081   0.514
   46   HD11  LEU   6          HD11      LEU   6 -19.257  -0.806   1.942
   47   HD12  LEU   6          HD12      LEU   6 -19.106  -0.697   0.187
   48   HD13  LEU   6          HD13      LEU   6 -18.945   0.754   1.176
   49   HD21  LEU   6          HD21      LEU   6 -16.995   0.897   2.795
   50   HD22  LEU   6          HD22      LEU   6 -15.684  -0.275   2.665
   51   HD23  LEU   6          HD23      LEU   6 -17.229  -0.755   3.367
   52    H    GLU   7           HN       GLU   7 -16.445  -4.722   0.482
   53    HA   GLU   7           HA       GLU   7 -13.935  -5.236   1.581
   54    HB2  GLU   7           HB2      GLU   7 -15.985  -7.146   0.465
   55    HB3  GLU   7           HB1      GLU   7 -14.560  -7.658   1.357
   56    HG2  GLU   7           HG2      GLU   7 -15.331  -6.405   3.307
   57    HG3  GLU   7           HG1      GLU   7 -16.763  -5.897   2.409
   58    H    ASP   8           HN       ASP   8 -15.070  -5.575  -1.749
   59    HA   ASP   8           HA       ASP   8 -12.758  -7.143  -2.501
   60    HB2  ASP   8           HB2      ASP   8 -15.172  -6.209  -3.847
   61    HB3  ASP   8           HB1      ASP   8 -13.742  -6.170  -4.874
   62    H    LYS   9           HN       LYS   9 -13.729  -3.757  -3.009
   63    HA   LYS   9           HA       LYS   9 -11.432  -3.228  -4.622
   64    HB2  LYS   9           HB2      LYS   9 -13.612  -2.027  -4.853
   65    HB3  LYS   9           HB1      LYS   9 -13.297  -1.238  -3.315
   66    HG2  LYS   9           HG2      LYS   9 -11.298  -0.192  -4.266
   67    HG3  LYS   9           HG1      LYS   9 -11.627  -0.971  -5.811
   68    HD2  LYS   9           HD2      LYS   9 -13.754   0.217  -5.967
   69    HD3  LYS   9           HD1      LYS   9 -13.437   0.996  -4.416
   70    HE2  LYS   9           HE2      LYS   9 -11.460   2.070  -5.345
   71    HE3  LYS   9           HE1      LYS   9 -11.731   1.263  -6.887
   72    HZ1  LYS   9           HZ1      LYS   9 -13.569   3.218  -5.619
   73    HZ2  LYS   9           HZ2      LYS   9 -13.814   2.457  -7.106
   74    HZ3  LYS   9           HZ3      LYS   9 -12.531   3.541  -6.914
   75    H    VAL  10           HN       VAL  10 -12.270  -2.649  -1.232
   76    HA   VAL  10           HA       VAL  10 -10.013  -1.052  -0.621
   77    HB   VAL  10           HB       VAL  10 -11.491  -2.882   1.276
   78   HG11  VAL  10          HG11      VAL  10  -9.868  -0.404   1.804
   79   HG12  VAL  10          HG12      VAL  10  -9.338  -2.063   2.101
   80   HG13  VAL  10          HG13      VAL  10 -10.688  -1.396   3.013
   81   HG21  VAL  10          HG21      VAL  10 -12.869  -0.997   1.883
   82   HG22  VAL  10          HG22      VAL  10 -13.028  -1.317   0.156
   83   HG23  VAL  10          HG23      VAL  10 -12.030   0.025   0.719
   84    H    GLU  11           HN       GLU  11 -10.632  -4.540  -0.219
   85    HA   GLU  11           HA       GLU  11  -8.067  -5.113   0.862
   86    HB2  GLU  11           HB2      GLU  11 -10.104  -6.530   1.157
   87    HB3  GLU  11           HB1      GLU  11  -9.984  -7.003  -0.530
   88    HG2  GLU  11           HG2      GLU  11  -7.802  -8.013  -0.089
   89    HG3  GLU  11           HG1      GLU  11  -7.936  -7.547   1.606
   90    H    GLU  12           HN       GLU  12  -9.163  -4.549  -2.334
   91    HA   GLU  12           HA       GLU  12  -7.192  -5.972  -3.782
   92    HB2  GLU  12           HB2      GLU  12  -9.233  -5.003  -4.822
   93    HB3  GLU  12           HB1      GLU  12  -8.597  -3.393  -4.525
   94    HG2  GLU  12           HG2      GLU  12  -8.258  -4.036  -6.827
   95    HG3  GLU  12           HG1      GLU  12  -6.711  -3.858  -6.001
   96    H    LEU  13           HN       LEU  13  -7.395  -2.664  -2.526
   97    HA   LEU  13           HA       LEU  13  -4.708  -2.014  -3.222
   98    HB2  LEU  13           HB2      LEU  13  -6.614  -0.772  -1.249
   99    HB3  LEU  13           HB1      LEU  13  -5.019  -0.129  -1.595
  100    HG   LEU  13           HG       LEU  13  -7.335  -0.343  -3.517
  101   HD11  LEU  13          HD11      LEU  13  -7.446   1.476  -1.871
  102   HD12  LEU  13          HD12      LEU  13  -7.235   2.071  -3.518
  103   HD13  LEU  13          HD13      LEU  13  -5.864   2.038  -2.409
  104   HD21  LEU  13          HD21      LEU  13  -5.259  -0.818  -4.696
  105   HD22  LEU  13          HD22      LEU  13  -4.518   0.623  -3.997
  106   HD23  LEU  13          HD23      LEU  13  -5.861   0.782  -5.128
  107    H    LEU  14           HN       LEU  14  -6.259  -3.537  -0.511
  108    HA   LEU  14           HA       LEU  14  -4.136  -3.444   1.332
  109    HB2  LEU  14           HB2      LEU  14  -6.569  -4.204   1.674
  110    HB3  LEU  14           HB1      LEU  14  -6.038  -5.754   1.057
  111    HG   LEU  14           HG       LEU  14  -4.342  -5.838   2.900
  112   HD11  LEU  14          HD11      LEU  14  -4.248  -3.424   3.337
  113   HD12  LEU  14          HD12      LEU  14  -4.622  -4.347   4.794
  114   HD13  LEU  14          HD13      LEU  14  -5.905  -3.485   3.944
  115   HD21  LEU  14          HD21      LEU  14  -5.973  -6.418   4.639
  116   HD22  LEU  14          HD22      LEU  14  -6.436  -7.058   3.062
  117   HD23  LEU  14          HD23      LEU  14  -7.241  -5.626   3.705
  118    H    SER  15           HN       SER  15  -4.772  -5.397  -1.436
  119    HA   SER  15           HA       SER  15  -2.898  -7.455  -0.977
  120    HB2  SER  15           HB2      SER  15  -4.711  -7.689  -2.621
  121    HB3  SER  15           HB1      SER  15  -4.017  -6.389  -3.586
  122    HG   SER  15           HG       SER  15  -3.123  -9.019  -3.217
  123    H    LYS  16           HN       LYS  16  -2.745  -4.420  -2.863
  124    HA   LYS  16           HA       LYS  16   0.051  -4.790  -3.335
  125    HB2  LYS  16           HB2      LYS  16   0.081  -2.539  -4.260
  126    HB3  LYS  16           HB1      LYS  16  -1.226  -3.494  -4.940
  127    HG2  LYS  16           HG2      LYS  16  -2.814  -2.347  -3.485
  128    HG3  LYS  16           HG1      LYS  16  -1.497  -1.388  -2.810
  129    HD2  LYS  16           HD2      LYS  16  -2.277  -1.433  -5.723
  130    HD3  LYS  16           HD1      LYS  16  -2.780  -0.199  -4.570
  131    HE2  LYS  16           HE2      LYS  16  -0.490   0.477  -4.221
  132    HE3  LYS  16           HE1      LYS  16   0.088  -0.848  -5.231
  133    HZ1  LYS  16           HZ1      LYS  16  -1.583   1.419  -6.162
  134    HZ2  LYS  16           HZ2      LYS  16  -1.001   0.158  -7.126
  135    HZ3  LYS  16           HZ3      LYS  16   0.079   1.253  -6.421
  136    H    ASN  17           HN       ASN  17  -1.856  -3.223  -0.837
  137    HA   ASN  17           HA       ASN  17   0.157  -1.911   0.588
  138    HB2  ASN  17           HB2      ASN  17  -2.174  -3.577   1.563
  139    HB3  ASN  17           HB1      ASN  17  -1.064  -2.796   2.675
  140   HD21  ASN  17          HD21      ASN  17  -0.703  -0.419   1.115
  141   HD22  ASN  17          HD22      ASN  17  -2.187   0.460   1.203
  142    H    TYR  18           HN       TYR  18  -0.789  -5.330   0.553
  143    HA   TYR  18           HA       TYR  18   1.211  -6.230   2.333
  144    HB2  TYR  18           HB2      TYR  18  -0.798  -7.544   1.636
  145    HB3  TYR  18           HB1      TYR  18  -0.045  -7.789   0.065
  146    HD1  TYR  18           HD1      TYR  18   1.120  -9.764  -0.267
  147    HD2  TYR  18           HD2      TYR  18   0.752  -8.231   3.683
  148    HE1  TYR  18           HE1      TYR  18   2.288 -11.745   0.609
  149    HE2  TYR  18           HE2      TYR  18   1.914 -10.203   4.566
  150    HH   TYR  18           HH       TYR  18   2.425 -12.464   3.977
  151    H    HIS  19           HN       HIS  19   1.172  -5.942  -1.199
  152    HA   HIS  19           HA       HIS  19   3.693  -7.089  -1.679
  153    HB2  HIS  19           HB2      HIS  19   1.966  -5.196  -3.233
  154    HB3  HIS  19           HB1      HIS  19   3.585  -5.580  -3.798
  155    HD1  HIS  19           HD1      HIS  19   3.454  -7.276  -5.570
  156    HD2  HIS  19           HD2      HIS  19   0.634  -7.957  -2.597
  157    HE1  HIS  19           HE1      HIS  19   2.239  -9.366  -6.259
  158    HE2  HIS  19           HE2      HIS  19   0.641  -9.838  -4.371
  159    H    LEU  20           HN       LEU  20   2.796  -3.650  -1.391
  160    HA   LEU  20           HA       LEU  20   5.375  -2.587  -1.708
  161    HB2  LEU  20           HB2      LEU  20   3.212  -1.418   0.032
  162    HB3  LEU  20           HB1      LEU  20   4.515  -0.543  -0.731
  163    HG   LEU  20           HG       LEU  20   2.094  -1.743  -1.976
  164   HD11  LEU  20          HD11      LEU  20   3.171   1.051  -1.939
  165   HD12  LEU  20          HD12      LEU  20   1.774   0.443  -1.051
  166   HD13  LEU  20          HD13      LEU  20   1.731   0.526  -2.811
  167   HD21  LEU  20          HD21      LEU  20   3.938  -2.322  -3.435
  168   HD22  LEU  20          HD22      LEU  20   4.523  -0.657  -3.392
  169   HD23  LEU  20          HD23      LEU  20   2.984  -1.033  -4.170
  170    H    GLU  21           HN       GLU  21   3.547  -3.462   1.171
  171    HA   GLU  21           HA       GLU  21   5.427  -2.795   3.116
  172    HB2  GLU  21           HB2      GLU  21   3.180  -4.719   2.976
  173    HB3  GLU  21           HB1      GLU  21   4.357  -4.980   4.254
  174    HG2  GLU  21           HG2      GLU  21   2.832  -2.432   3.773
  175    HG3  GLU  21           HG1      GLU  21   2.457  -3.638   4.998
  176    H    ASN  22           HN       ASN  22   5.144  -5.819   1.269
  177    HA   ASN  22           HA       ASN  22   7.368  -7.101   2.456
  178    HB2  ASN  22           HB2      ASN  22   6.152  -7.453  -0.293
  179    HB3  ASN  22           HB1      ASN  22   7.405  -8.494   0.369
  180   HD21  ASN  22          HD21      ASN  22   4.769  -9.203  -0.501
  181   HD22  ASN  22          HD22      ASN  22   3.964  -9.893   0.863
  182    H    GLU  23           HN       GLU  23   7.027  -4.962  -0.333
  183    HA   GLU  23           HA       GLU  23   9.679  -5.205  -1.277
  184    HB2  GLU  23           HB2      GLU  23   7.763  -2.881  -1.536
  185    HB3  GLU  23           HB1      GLU  23   9.246  -3.075  -2.460
  186    HG2  GLU  23           HG2      GLU  23   6.833  -4.871  -2.547
  187    HG3  GLU  23           HG1      GLU  23   7.338  -3.721  -3.785
  188    H    VAL  24           HN       VAL  24   8.172  -2.840   0.907
  189    HA   VAL  24           HA       VAL  24  10.471  -1.279   1.323
  190    HB   VAL  24           HB       VAL  24   8.234  -1.719   3.324
  191   HG11  VAL  24          HG11      VAL  24  10.217  -0.624   4.250
  192   HG12  VAL  24          HG12      VAL  24   8.852   0.490   4.154
  193   HG13  VAL  24          HG13      VAL  24  10.150   0.582   2.961
  194   HG21  VAL  24          HG21      VAL  24   7.182   0.260   2.361
  195   HG22  VAL  24          HG22      VAL  24   7.328  -1.027   1.164
  196   HG23  VAL  24          HG23      VAL  24   8.442   0.340   1.131
  197    H    ALA  25           HN       ALA  25   9.184  -4.085   3.077
  198    HA   ALA  25           HA       ALA  25  11.011  -4.096   5.204
  199    HB1  ALA  25           HB1      ALA  25  10.356  -6.431   5.533
  200    HB2  ALA  25           HB2      ALA  25   9.610  -6.451   3.934
  201    HB3  ALA  25           HB3      ALA  25   8.948  -5.420   5.203
  202    H    ARG  26           HN       ARG  26  11.115  -5.809   2.094
  203    HA   ARG  26           HA       ARG  26  13.574  -7.108   2.450
  204    HB2  ARG  26           HB2      ARG  26  12.058  -7.682   0.633
  205    HB3  ARG  26           HB1      ARG  26  12.271  -6.091  -0.081
  206    HG2  ARG  26           HG2      ARG  26  13.552  -7.749  -1.288
  207    HG3  ARG  26           HG1      ARG  26  14.628  -6.596  -0.497
  208    HD2  ARG  26           HD2      ARG  26  14.916  -8.227   1.356
  209    HD3  ARG  26           HD1      ARG  26  13.955  -9.384   0.436
  210    HE   ARG  26           HE       ARG  26  15.890  -8.737  -1.311
  211   HH11  ARG  26          HH11      ARG  26  15.961  -9.766   2.033
  212   HH12  ARG  26          HH12      ARG  26  17.539 -10.476   1.914
  213   HH21  ARG  26          HH21      ARG  26  17.976  -9.685  -1.475
  214   HH22  ARG  26          HH22      ARG  26  18.681 -10.437  -0.080
  215    H    LEU  27           HN       LEU  27  12.831  -3.992   0.949
  216    HA   LEU  27           HA       LEU  27  15.479  -3.308   0.306
  217    HB2  LEU  27           HB2      LEU  27  12.893  -1.885   0.515
  218    HB3  LEU  27           HB1      LEU  27  14.342  -0.912   0.552
  219    HG   LEU  27           HG       LEU  27  14.965  -1.549  -1.642
  220   HD11  LEU  27          HD11      LEU  27  12.757  -3.599  -1.571
  221   HD12  LEU  27          HD12      LEU  27  14.486  -3.941  -1.491
  222   HD13  LEU  27          HD13      LEU  27  13.794  -3.233  -2.951
  223   HD21  LEU  27          HD21      LEU  27  12.996  -0.946  -2.967
  224   HD22  LEU  27          HD22      LEU  27  13.210   0.104  -1.569
  225   HD23  LEU  27          HD23      LEU  27  11.985  -1.163  -1.540
  226    H    LYS  28           HN       LYS  28  13.573  -2.800   3.232
  227    HA   LYS  28           HA       LYS  28  15.248  -0.970   4.518
  228    HB2  LYS  28           HB2      LYS  28  13.291  -3.014   5.485
  229    HB3  LYS  28           HB1      LYS  28  14.313  -2.186   6.650
  230    HG2  LYS  28           HG2      LYS  28  12.527  -0.787   4.674
  231    HG3  LYS  28           HG1      LYS  28  12.076  -1.157   6.338
  232    HD2  LYS  28           HD2      LYS  28  13.935   0.192   7.157
  233    HD3  LYS  28           HD1      LYS  28  14.430   0.537   5.501
  234    HE2  LYS  28           HE2      LYS  28  12.380   1.731   5.088
  235    HE3  LYS  28           HE1      LYS  28  11.758   1.284   6.675
  236    HZ1  LYS  28           HZ1      LYS  28  12.615   3.544   6.649
  237    HZ2  LYS  28           HZ2      LYS  28  14.139   2.987   6.175
  238    HZ3  LYS  28           HZ3      LYS  28  13.522   2.572   7.693
  239    H    LYS  29           HN       LYS  29  15.430  -4.490   4.344
  240    HA   LYS  29           HA       LYS  29  17.605  -4.714   6.187
  241    HB2  LYS  29           HB2      LYS  29  16.709  -6.639   4.034
  242    HB3  LYS  29           HB1      LYS  29  17.794  -7.013   5.363
  243    HG2  LYS  29           HG2      LYS  29  15.978  -6.569   6.953
  244    HG3  LYS  29           HG1      LYS  29  14.890  -6.253   5.594
  245    HD2  LYS  29           HD2      LYS  29  15.310  -8.540   4.768
  246    HD3  LYS  29           HD1      LYS  29  16.324  -8.843   6.188
  247    HE2  LYS  29           HE2      LYS  29  13.385  -8.154   6.212
  248    HE3  LYS  29           HE1      LYS  29  14.075  -9.751   6.486
  249    HZ1  LYS  29           HZ1      LYS  29  15.230  -8.836   8.436
  250    HZ2  LYS  29           HZ2      LYS  29  13.552  -8.725   8.574
  251    HZ3  LYS  29           HZ3      LYS  29  14.455  -7.352   8.193
  252    H    LEU  30           HN       LEU  30  17.279  -3.992   2.855
  253    HA   LEU  30           HA       LEU  30  19.986  -4.720   2.159
  254    HB2  LEU  30           HB2      LEU  30  17.789  -3.432   0.560
  255    HB3  LEU  30           HB1      LEU  30  19.347  -3.916  -0.087
  256    HG   LEU  30           HG       LEU  30  17.483  -5.877   1.235
  257   HD11  LEU  30          HD11      LEU  30  17.652  -5.115  -1.666
  258   HD12  LEU  30          HD12      LEU  30  16.267  -4.914  -0.590
  259   HD13  LEU  30          HD13      LEU  30  16.808  -6.530  -1.036
  260   HD21  LEU  30          HD21      LEU  30  19.854  -6.150  -0.603
  261   HD22  LEU  30          HD22      LEU  30  18.773  -7.477  -0.186
  262   HD23  LEU  30          HD23      LEU  30  19.724  -6.689   1.072
  263    H    VAL  31           HN       VAL  31  18.103  -1.800   2.736
  264    HA   VAL  31           HA       VAL  31  20.331  -0.033   2.267
  265    HB   VAL  31           HB       VAL  31  17.787   0.486   3.835
  266   HG11  VAL  31          HG11      VAL  31  18.273   2.857   3.418
  267   HG12  VAL  31          HG12      VAL  31  19.797   2.401   2.658
  268   HG13  VAL  31          HG13      VAL  31  19.536   2.081   4.372
  269   HG21  VAL  31          HG21      VAL  31  18.428   1.044   0.944
  270   HG22  VAL  31          HG22      VAL  31  16.988   1.602   1.793
  271   HG23  VAL  31          HG23      VAL  31  17.254  -0.124   1.553
  272    H    GLY  32           HN       GLY  32  19.020  -1.890   4.861
  273    HA2  GLY  32           HA2      GLY  32  20.275  -0.627   7.047
  274    HA3  GLY  32           HA1      GLY  32  19.665  -2.277   7.007
  275    H    GLU  33           HN       GLU  33  21.137  -3.741   5.522
  276    HA   GLU  33           HA       GLU  33  23.937  -3.156   6.179
  277    HB2  GLU  33           HB2      GLU  33  24.158  -5.636   6.740
  278    HB3  GLU  33           HB1      GLU  33  23.339  -4.623   7.918
  279    HG2  GLU  33           HG2      GLU  33  21.177  -5.403   7.088
  280    HG3  GLU  33           HG1      GLU  33  22.000  -6.420   5.907
  281    H1   GLY   1           HT1      GLY   1 -26.860   6.563   0.905
  282    H2   GLY   1           HT2      GLY   1 -25.283   7.084   1.200
  283    H3   GLY   1           HT3      GLY   1 -26.099   6.171   2.365
  284    HA2  GLY   1           HA1      GLY   1 -26.135   4.262   0.894
  285    HA3  GLY   1           HA2      GLY   1 -25.302   5.214  -0.328
  286    H    SER   2           HN       SER   2 -23.812   3.298  -0.098
  287    HA   SER   2           HA       SER   2 -21.926   3.751   2.117
  288    HB2  SER   2           HB2      SER   2 -21.167   1.376   1.522
  289    HB3  SER   2           HB1      SER   2 -22.752   1.539   2.287
  290    HG   SER   2           HG       SER   2 -22.854   0.167   0.470
  291    H    MET   3           HN       MET   3 -22.251   4.844  -0.799
  292    HA   MET   3           HA       MET   3 -19.952   3.994  -2.220
  293    HB2  MET   3           HB2      MET   3 -21.765   6.378  -2.431
  294    HB3  MET   3           HB1      MET   3 -20.311   6.275  -3.409
  295    HG2  MET   3           HG2      MET   3 -22.278   5.534  -4.630
  296    HG3  MET   3           HG1      MET   3 -21.108   4.235  -4.437
  297    HE1  MET   3           HE1      MET   3 -21.413   2.440  -2.249
  298    HE2  MET   3           HE2      MET   3 -21.799   1.941  -3.896
  299    HE3  MET   3           HE3      MET   3 -22.886   1.527  -2.571
  300    H    LYS   4           HN       LYS   4 -20.575   6.613   0.039
  301    HA   LYS   4           HA       LYS   4 -17.951   7.742  -0.157
  302    HB2  LYS   4           HB2      LYS   4 -20.119   8.072   1.920
  303    HB3  LYS   4           HB1      LYS   4 -18.623   8.990   1.903
  304    HG2  LYS   4           HG2      LYS   4 -19.222   9.985  -0.220
  305    HG3  LYS   4           HG1      LYS   4 -20.687   9.002  -0.290
  306    HD2  LYS   4           HD2      LYS   4 -21.516  10.085   1.737
  307    HD3  LYS   4           HD1      LYS   4 -20.045  11.053   1.829
  308    HE2  LYS   4           HE2      LYS   4 -21.987  11.104  -0.474
  309    HE3  LYS   4           HE1      LYS   4 -21.989  12.257   0.857
  310    HZ1  LYS   4           HZ1      LYS   4 -20.825  13.124  -1.068
  311    HZ2  LYS   4           HZ2      LYS   4 -19.747  11.823  -1.043
  312    HZ3  LYS   4           HZ3      LYS   4 -19.760  12.934   0.232
  313    H    GLN   5           HN       GLN   5 -19.011   4.901   1.078
  314    HA   GLN   5           HA       GLN   5 -17.143   4.835   3.328
  315    HB2  GLN   5           HB2      GLN   5 -19.206   2.788   2.468
  316    HB3  GLN   5           HB1      GLN   5 -18.211   2.700   3.916
  317    HG2  GLN   5           HG2      GLN   5 -20.273   4.814   3.337
  318    HG3  GLN   5           HG1      GLN   5 -20.496   3.427   4.398
  319   HE21  GLN   5          HE21      GLN   5 -19.016   6.532   4.012
  320   HE22  GLN   5          HE22      GLN   5 -18.512   6.725   5.654
  321    H    LEU   6           HN       LEU   6 -18.016   3.153   0.333
  322    HA   LEU   6           HA       LEU   6 -15.739   1.556   0.049
  323    HB2  LEU   6           HB2      LEU   6 -17.779   2.692  -1.737
  324    HB3  LEU   6           HB1      LEU   6 -16.239   2.517  -2.529
  325    HG   LEU   6           HG       LEU   6 -16.743   0.042  -1.292
  326   HD11  LEU   6          HD11      LEU   6 -19.168   0.969  -2.802
  327   HD12  LEU   6          HD12      LEU   6 -19.086   0.835  -1.045
  328   HD13  LEU   6          HD13      LEU   6 -18.901  -0.605  -2.046
  329   HD21  LEU   6          HD21      LEU   6 -16.891  -0.745  -3.590
  330   HD22  LEU   6          HD22      LEU   6 -15.575   0.415  -3.395
  331   HD23  LEU   6          HD23      LEU   6 -17.089   0.917  -4.150
  332    H    GLU   7           HN       GLU   7 -16.384   4.842  -1.185
  333    HA   GLU   7           HA       GLU   7 -13.833   5.349  -2.177
  334    HB2  GLU   7           HB2      GLU   7 -15.905   7.265  -1.111
  335    HB3  GLU   7           HB1      GLU   7 -14.442   7.772  -1.942
  336    HG2  GLU   7           HG2      GLU   7 -15.150   6.558  -3.934
  337    HG3  GLU   7           HG1      GLU   7 -16.617   6.048  -3.099
  338    H    ASP   8           HN       ASP   8 -15.091   5.658   1.109
  339    HA   ASP   8           HA       ASP   8 -12.796   7.189   1.972
  340    HB2  ASP   8           HB2      ASP   8 -15.272   6.270   3.206
  341    HB3  ASP   8           HB1      ASP   8 -13.887   6.199   4.293
  342    H    LYS   9           HN       LYS   9 -13.820   3.809   2.400
  343    HA   LYS   9           HA       LYS   9 -11.595   3.239   4.101
  344    HB2  LYS   9           HB2      LYS   9 -13.796   2.063   4.230
  345    HB3  LYS   9           HB1      LYS   9 -13.427   1.285   2.698
  346    HG2  LYS   9           HG2      LYS   9 -11.477   0.212   3.719
  347    HG3  LYS   9           HG1      LYS   9 -11.865   0.976   5.260
  348    HD2  LYS   9           HD2      LYS   9 -14.006  -0.199   5.313
  349    HD3  LYS   9           HD1      LYS   9 -13.634  -0.956   3.763
  350    HE2  LYS   9           HE2      LYS   9 -11.709  -2.070   4.749
  351    HE3  LYS   9           HE1      LYS   9 -12.024  -1.278   6.293
  352    HZ1  LYS   9           HZ1      LYS   9 -13.842  -3.192   4.934
  353    HZ2  LYS   9           HZ2      LYS   9 -14.129  -2.449   6.425
  354    HZ3  LYS   9           HZ3      LYS   9 -12.853  -3.544   6.258
  355    H    VAL  10           HN       VAL  10 -12.303   2.709   0.672
  356    HA   VAL  10           HA       VAL  10 -10.039   1.097   0.129
  357    HB   VAL  10           HB       VAL  10 -11.419   2.964  -1.803
  358   HG11  VAL  10          HG11      VAL  10  -9.797   0.476  -2.290
  359   HG12  VAL  10          HG12      VAL  10  -9.239   2.132  -2.547
  360   HG13  VAL  10          HG13      VAL  10 -10.557   1.487  -3.523
  361   HG21  VAL  10          HG21      VAL  10 -12.789   1.098  -2.486
  362   HG22  VAL  10          HG22      VAL  10 -13.013   1.400  -0.763
  363   HG23  VAL  10          HG23      VAL  10 -12.006   0.056  -1.302
  364    H    GLU  11           HN       GLU  11 -10.605   4.594  -0.239
  365    HA   GLU  11           HA       GLU  11  -7.992   5.153  -1.215
  366    HB2  GLU  11           HB2      GLU  11  -9.999   6.594  -1.574
  367    HB3  GLU  11           HB1      GLU  11  -9.945   7.045   0.122
  368    HG2  GLU  11           HG2      GLU  11  -7.740   8.039  -0.216
  369    HG3  GLU  11           HG1      GLU  11  -7.803   7.593  -1.920
  370    H    GLU  12           HN       GLU  12  -9.228   4.570   1.927
  371    HA   GLU  12           HA       GLU  12  -7.304   5.949   3.471
  372    HB2  GLU  12           HB2      GLU  12  -9.393   4.986   4.412
  373    HB3  GLU  12           HB1      GLU  12  -8.760   3.374   4.119
  374    HG2  GLU  12           HG2      GLU  12  -8.511   3.988   6.446
  375    HG3  GLU  12           HG1      GLU  12  -6.936   3.799   5.678
  376    H    LEU  13           HN       LEU  13  -7.483   2.659   2.164
  377    HA   LEU  13           HA       LEU  13  -4.833   1.976   2.961
  378    HB2  LEU  13           HB2      LEU  13  -6.667   0.777   0.896
  379    HB3  LEU  13           HB1      LEU  13  -5.095   0.114   1.301
  380    HG   LEU  13           HG       LEU  13  -7.488   0.326   3.124
  381   HD11  LEU  13          HD11      LEU  13  -7.543  -1.473   1.457
  382   HD12  LEU  13          HD12      LEU  13  -7.402  -2.088   3.102
  383   HD13  LEU  13          HD13      LEU  13  -5.987  -2.051   2.050
  384   HD21  LEU  13          HD21      LEU  13  -5.463   0.770   4.396
  385   HD22  LEU  13          HD22      LEU  13  -4.703  -0.669   3.714
  386   HD23  LEU  13          HD23      LEU  13  -6.097  -0.830   4.782
  387    H    LEU  14           HN       LEU  14  -6.257   3.547   0.207
  388    HA   LEU  14           HA       LEU  14  -4.061   3.456  -1.551
  389    HB2  LEU  14           HB2      LEU  14  -6.473   4.242  -1.980
  390    HB3  LEU  14           HB1      LEU  14  -5.952   5.779  -1.323
  391    HG   LEU  14           HG       LEU  14  -4.184   5.868  -3.094
  392   HD11  LEU  14          HD11      LEU  14  -4.094   3.458  -3.555
  393   HD12  LEU  14          HD12      LEU  14  -4.399   4.402  -5.015
  394   HD13  LEU  14          HD13      LEU  14  -5.723   3.541  -4.228
  395   HD21  LEU  14          HD21      LEU  14  -5.736   6.485  -4.891
  396   HD22  LEU  14          HD22      LEU  14  -6.256   7.112  -3.328
  397   HD23  LEU  14          HD23      LEU  14  -7.049   5.696  -4.018
  398    H    SER  15           HN       SER  15  -4.793   5.378   1.215
  399    HA   SER  15           HA       SER  15  -2.882   7.423   0.853
  400    HB2  SER  15           HB2      SER  15  -4.759   7.661   2.424
  401    HB3  SER  15           HB1      SER  15  -4.118   6.343   3.403
  402    HG   SER  15           HG       SER  15  -3.205   8.973   3.117
  403    H    LYS  16           HN       LYS  16  -2.836   4.366   2.712
  404    HA   LYS  16           HA       LYS  16  -0.058   4.704   3.299
  405    HB2  LYS  16           HB2      LYS  16  -0.085   2.441   4.196
  406    HB3  LYS  16           HB1      LYS  16  -1.405   3.402   4.837
  407    HG2  LYS  16           HG2      LYS  16  -2.950   2.289   3.307
  408    HG3  LYS  16           HG1      LYS  16  -1.617   1.323   2.675
  409    HD2  LYS  16           HD2      LYS  16  -2.515   1.345   5.557
  410    HD3  LYS  16           HD1      LYS  16  -2.979   0.127   4.369
  411    HE2  LYS  16           HE2      LYS  16  -0.676  -0.552   4.103
  412    HE3  LYS  16           HE1      LYS  16  -0.138   0.745   5.169
  413    HZ1  LYS  16           HZ1      LYS  16  -1.866  -1.531   5.969
  414    HZ2  LYS  16           HZ2      LYS  16  -1.322  -0.300   6.989
  415    HZ3  LYS  16           HZ3      LYS  16  -0.216  -1.383   6.308
  416    H    ASN  17           HN       ASN  17  -1.877   3.189   0.704
  417    HA   ASN  17           HA       ASN  17   0.183   1.868  -0.650
  418    HB2  ASN  17           HB2      ASN  17  -2.094   3.566  -1.699
  419    HB3  ASN  17           HB1      ASN  17  -0.944   2.793  -2.775
  420   HD21  ASN  17          HD21      ASN  17  -0.666   0.391  -1.233
  421   HD22  ASN  17          HD22      ASN  17  -2.152  -0.474  -1.394
  422    H    TYR  18           HN       TYR  18  -0.731   5.297  -0.610
  423    HA   TYR  18           HA       TYR  18   1.346   6.198  -2.298
  424    HB2  TYR  18           HB2      TYR  18  -0.678   7.526  -1.668
  425    HB3  TYR  18           HB1      TYR  18   0.012   7.744  -0.063
  426    HD1  TYR  18           HD1      TYR  18   1.184   9.703   0.339
  427    HD2  TYR  18           HD2      TYR  18   0.958   8.227  -3.639
  428    HE1  TYR  18           HE1      TYR  18   2.405  11.684  -0.463
  429    HE2  TYR  18           HE2      TYR  18   2.175  10.197  -4.453
  430    HH   TYR  18           HH       TYR  18   2.660  12.465  -3.793
  431    H    HIS  19           HN       HIS  19   1.161   5.878   1.224
  432    HA   HIS  19           HA       HIS  19   3.670   6.991   1.821
  433    HB2  HIS  19           HB2      HIS  19   1.864   5.095   3.281
  434    HB3  HIS  19           HB1      HIS  19   3.462   5.456   3.916
  435    HD1  HIS  19           HD1      HIS  19   3.267   7.127   5.708
  436    HD2  HIS  19           HD2      HIS  19   0.579   7.874   2.628
  437    HE1  HIS  19           HE1      HIS  19   2.050   9.224   6.368
  438    HE2  HIS  19           HE2      HIS  19   0.531   9.734   4.425
  439    H    LEU  20           HN       LEU  20   2.754   3.562   1.459
  440    HA   LEU  20           HA       LEU  20   5.308   2.472   1.866
  441    HB2  LEU  20           HB2      LEU  20   3.211   1.341   0.025
  442    HB3  LEU  20           HB1      LEU  20   4.474   0.448   0.836
  443    HG   LEU  20           HG       LEU  20   2.014   1.658   1.988
  444   HD11  LEU  20          HD11      LEU  20   3.061  -1.148   1.961
  445   HD12  LEU  20          HD12      LEU  20   1.710  -0.511   1.021
  446   HD13  LEU  20          HD13      LEU  20   1.592  -0.615   2.777
  447   HD21  LEU  20          HD21      LEU  20   3.799   2.200   3.532
  448   HD22  LEU  20          HD22      LEU  20   4.367   0.529   3.495
  449   HD23  LEU  20          HD23      LEU  20   2.800   0.915   4.211
  450    H    GLU  21           HN       GLU  21   3.606   3.397  -1.077
  451    HA   GLU  21           HA       GLU  21   5.557   2.737  -2.949
  452    HB2  GLU  21           HB2      GLU  21   3.320   4.678  -2.876
  453    HB3  GLU  21           HB1      GLU  21   4.549   4.946  -4.102
  454    HG2  GLU  21           HG2      GLU  21   2.988   2.404  -3.714
  455    HG3  GLU  21           HG1      GLU  21   2.667   3.629  -4.937
  456    H    ASN  22           HN       ASN  22   5.230   5.745  -1.077
  457    HA   ASN  22           HA       ASN  22   7.514   7.018  -2.155
  458    HB2  ASN  22           HB2      ASN  22   6.187   7.346   0.542
  459    HB3  ASN  22           HB1      ASN  22   7.481   8.382  -0.049
  460   HD21  ASN  22          HD21      ASN  22   4.823   9.106   0.713
  461   HD22  ASN  22          HD22      ASN  22   4.086   9.827  -0.675
  462    H    GLU  23           HN       GLU  23   7.038   4.848   0.588
  463    HA   GLU  23           HA       GLU  23   9.651   5.050   1.643
  464    HB2  GLU  23           HB2      GLU  23   7.704   2.742   1.795
  465    HB3  GLU  23           HB1      GLU  23   9.149   2.911   2.781
  466    HG2  GLU  23           HG2      GLU  23   6.750   4.726   2.791
  467    HG3  GLU  23           HG1      GLU  23   7.191   3.556   4.033
  468    H    VAL  24           HN       VAL  24   8.211   2.735  -0.638
  469    HA   VAL  24           HA       VAL  24  10.511   1.149  -0.971
  470    HB   VAL  24           HB       VAL  24   8.361   1.630  -3.057
  471   HG11  VAL  24          HG11      VAL  24  10.372   0.525  -3.910
  472   HG12  VAL  24          HG12      VAL  24   8.994  -0.577  -3.883
  473   HG13  VAL  24          HG13      VAL  24  10.240  -0.692  -2.637
  474   HG21  VAL  24          HG21      VAL  24   7.252  -0.349  -2.160
  475   HG22  VAL  24          HG22      VAL  24   7.360   0.924  -0.944
  476   HG23  VAL  24          HG23      VAL  24   8.460  -0.454  -0.880
  477    H    ALA  25           HN       ALA  25   9.320   3.985  -2.746
  478    HA   ALA  25           HA       ALA  25  11.236   4.002  -4.790
  479    HB1  ALA  25           HB1      ALA  25  10.615   6.346  -5.119
  480    HB2  ALA  25           HB2      ALA  25   9.802   6.354  -3.554
  481    HB3  ALA  25           HB3      ALA  25   9.187   5.343  -4.862
  482    H    ARG  26           HN       ARG  26  11.224   5.689  -1.661
  483    HA   ARG  26           HA       ARG  26  13.709   6.962  -1.895
  484    HB2  ARG  26           HB2      ARG  26  12.122   7.525  -0.131
  485    HB3  ARG  26           HB1      ARG  26  12.295   5.922   0.569
  486    HG2  ARG  26           HG2      ARG  26  13.541   7.553   1.847
  487    HG3  ARG  26           HG1      ARG  26  14.635   6.400   1.085
  488    HD2  ARG  26           HD2      ARG  26  15.012   8.048  -0.736
  489    HD3  ARG  26           HD1      ARG  26  14.030   9.204   0.163
  490    HE   ARG  26           HE       ARG  26  15.893   8.502   1.972
  491   HH11  ARG  26          HH11      ARG  26  16.106   9.581  -1.350
  492   HH12  ARG  26          HH12      ARG  26  17.678  10.288  -1.156
  493   HH21  ARG  26          HH21      ARG  26  17.975   9.430   2.230
  494   HH22  ARG  26          HH22      ARG  26  18.743  10.202   0.879
  495    H    LEU  27           HN       LEU  27  12.879   3.832  -0.471
  496    HA   LEU  27           HA       LEU  27  15.492   3.118   0.269
  497    HB2  LEU  27           HB2      LEU  27  12.909   1.713  -0.064
  498    HB3  LEU  27           HB1      LEU  27  14.353   0.734  -0.047
  499    HG   LEU  27           HG       LEU  27  14.887   1.347   2.175
  500   HD11  LEU  27          HD11      LEU  27  12.696   3.414   2.032
  501   HD12  LEU  27          HD12      LEU  27  14.428   3.744   2.032
  502   HD13  LEU  27          HD13      LEU  27  13.667   3.027   3.452
  503   HD21  LEU  27          HD21      LEU  27  12.859   0.746   3.413
  504   HD22  LEU  27          HD22      LEU  27  13.123  -0.294   2.016
  505   HD23  LEU  27          HD23      LEU  27  11.909   0.982   1.948
  506    H    LYS  28           HN       LYS  28  13.703   2.661  -2.734
  507    HA   LYS  28           HA       LYS  28  15.408   0.826  -3.973
  508    HB2  LYS  28           HB2      LYS  28  13.509   2.903  -4.988
  509    HB3  LYS  28           HB1      LYS  28  14.568   2.081  -6.123
  510    HG2  LYS  28           HG2      LYS  28  12.693   0.673  -4.241
  511    HG3  LYS  28           HG1      LYS  28  12.315   1.070  -5.919
  512    HD2  LYS  28           HD2      LYS  28  14.192  -0.287  -6.676
  513    HD3  LYS  28           HD1      LYS  28  14.619  -0.655  -5.006
  514    HE2  LYS  28           HE2      LYS  28  12.545  -1.837  -4.688
  515    HE3  LYS  28           HE1      LYS  28  11.990  -1.366  -6.292
  516    HZ1  LYS  28           HZ1      LYS  28  12.829  -3.635  -6.257
  517    HZ2  LYS  28           HZ2      LYS  28  14.337  -3.093  -5.726
  518    HZ3  LYS  28           HZ3      LYS  28  13.777  -2.661  -7.260
  519    H    LYS  29           HN       LYS  29  15.616   4.341  -3.747
  520    HA   LYS  29           HA       LYS  29  17.868   4.569  -5.500
  521    HB2  LYS  29           HB2      LYS  29  16.905   6.480  -3.363
  522    HB3  LYS  29           HB1      LYS  29  18.047   6.857  -4.645
  523    HG2  LYS  29           HG2      LYS  29  16.291   6.451  -6.311
  524    HG3  LYS  29           HG1      LYS  29  15.146   6.128  -5.001
  525    HD2  LYS  29           HD2      LYS  29  15.555   8.401  -4.129
  526    HD3  LYS  29           HD1      LYS  29  16.626   8.712  -5.503
  527    HE2  LYS  29           HE2      LYS  29  13.684   8.054  -5.651
  528    HE3  LYS  29           HE1      LYS  29  14.401   9.648  -5.878
  529    HZ1  LYS  29           HZ1      LYS  29  15.616   8.751  -7.796
  530    HZ2  LYS  29           HZ2      LYS  29  13.941   8.648  -7.995
  531    HZ3  LYS  29           HZ3      LYS  29  14.828   7.267  -7.599
  532    H    LEU  30           HN       LEU  30  17.400   3.813  -2.191
  533    HA   LEU  30           HA       LEU  30  20.086   4.503  -1.373
  534    HB2  LEU  30           HB2      LEU  30  17.811   3.220   0.115
  535    HB3  LEU  30           HB1      LEU  30  19.344   3.680   0.834
  536    HG   LEU  30           HG       LEU  30  17.556   5.674  -0.542
  537   HD11  LEU  30          HD11      LEU  30  17.593   4.877   2.353
  538   HD12  LEU  30          HD12      LEU  30  16.255   4.703   1.216
  539   HD13  LEU  30          HD13      LEU  30  16.791   6.307   1.705
  540   HD21  LEU  30          HD21      LEU  30  19.853   5.903   1.396
  541   HD22  LEU  30          HD22      LEU  30  18.799   7.245   0.949
  542   HD23  LEU  30          HD23      LEU  30  19.794   6.464  -0.277
  543    H    VAL  31           HN       VAL  31  18.198   1.614  -2.068
  544    HA   VAL  31           HA       VAL  31  20.389  -0.183  -1.530
  545    HB   VAL  31           HB       VAL  31  17.908  -0.658  -3.205
  546   HG11  VAL  31          HG11      VAL  31  18.355  -3.039  -2.799
  547   HG12  VAL  31          HG12      VAL  31  19.853  -2.606  -1.975
  548   HG13  VAL  31          HG13      VAL  31  19.663  -2.264  -3.694
  549   HG21  VAL  31          HG21      VAL  31  18.424  -1.257  -0.296
  550   HG22  VAL  31          HG22      VAL  31  17.017  -1.795  -1.214
  551   HG23  VAL  31          HG23      VAL  31  17.286  -0.073  -0.943
  552    H    GLY  32           HN       GLY  32  19.200   1.721  -4.151
  553    HA2  GLY  32           HA2      GLY  32  20.538   0.475  -6.298
  554    HA3  GLY  32           HA1      GLY  32  19.935   2.127  -6.265
  555    H    GLU  33           HN       GLU  33  21.355   3.564  -4.702
  556    HA   GLU  33           HA       GLU  33  24.171   2.956  -5.248
  557    HB2  GLU  33           HB2      GLU  33  24.449   5.435  -5.770
  558    HB3  GLU  33           HB1      GLU  33  23.667   4.447  -6.993
  559    HG2  GLU  33           HG2      GLU  33  21.484   5.252  -6.252
  560    HG3  GLU  33           HG1      GLU  33  22.269   6.241  -5.021
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -23.999  -5.983  -5.821
    2    H2   GLY   1           HT2      GLY   1 -22.653  -6.262  -4.840
    3    H3   GLY   1           HT3      GLY   1 -22.515  -5.262  -6.198
    4    HA2  GLY   1           HA1      GLY   1 -24.031  -3.666  -5.205
    5    HA3  GLY   1           HA2      GLY   1 -24.149  -4.700  -3.788
    6    H    SER   2           HN       SER   2 -23.318  -2.049  -3.649
    7    HA   SER   2           HA       SER   2 -20.621  -1.510  -3.889
    8    HB2  SER   2           HB2      SER   2 -21.107   0.157  -1.967
    9    HB3  SER   2           HB1      SER   2 -22.027   0.321  -3.469
   10    HG   SER   2           HG       SER   2 -23.624   0.296  -2.049
   11    H    MET   3           HN       MET   3 -22.318  -3.078  -1.214
   12    HA   MET   3           HA       MET   3 -20.383  -2.753   0.742
   13    HB2  MET   3           HB2      MET   3 -22.351  -5.011   0.409
   14    HB3  MET   3           HB1      MET   3 -21.409  -4.717   1.864
   15    HG2  MET   3           HG2      MET   3 -22.452  -2.458   1.996
   16    HG3  MET   3           HG1      MET   3 -23.499  -2.923   0.660
   17    HE1  MET   3           HE1      MET   3 -23.542  -4.753   4.879
   18    HE2  MET   3           HE2      MET   3 -22.507  -3.431   4.341
   19    HE3  MET   3           HE3      MET   3 -22.221  -5.069   3.756
   20    H    LYS   4           HN       LYS   4 -20.711  -5.460  -1.551
   21    HA   LYS   4           HA       LYS   4 -18.324  -6.692  -0.433
   22    HB2  LYS   4           HB2      LYS   4 -20.107  -7.576  -2.704
   23    HB3  LYS   4           HB1      LYS   4 -18.797  -8.520  -2.014
   24    HG2  LYS   4           HG2      LYS   4 -21.255  -7.616  -0.525
   25    HG3  LYS   4           HG1      LYS   4 -21.007  -9.224  -1.206
   26    HD2  LYS   4           HD2      LYS   4 -19.267  -7.945   0.904
   27    HD3  LYS   4           HD1      LYS   4 -20.542  -9.123   1.219
   28    HE2  LYS   4           HE2      LYS   4 -19.351 -10.757  -0.183
   29    HE3  LYS   4           HE1      LYS   4 -18.066  -9.579  -0.445
   30    HZ1  LYS   4           HZ1      LYS   4 -17.642  -9.576   1.939
   31    HZ2  LYS   4           HZ2      LYS   4 -17.477 -11.129   1.294
   32    HZ3  LYS   4           HZ3      LYS   4 -18.860 -10.723   2.175
   33    H    GLN   5           HN       GLN   5 -19.118  -4.616  -3.024
   34    HA   GLN   5           HA       GLN   5 -16.927  -5.501  -4.706
   35    HB2  GLN   5           HB2      GLN   5 -19.061  -3.407  -5.126
   36    HB3  GLN   5           HB1      GLN   5 -17.779  -3.739  -6.281
   37    HG2  GLN   5           HG2      GLN   5 -18.587  -6.047  -6.491
   38    HG3  GLN   5           HG1      GLN   5 -19.891  -5.679  -5.364
   39   HE21  GLN   5          HE21      GLN   5 -18.638  -5.184  -8.560
   40   HE22  GLN   5          HE22      GLN   5 -20.074  -4.507  -9.241
   41    H    LEU   6           HN       LEU   6 -17.935  -2.664  -2.851
   42    HA   LEU   6           HA       LEU   6 -15.547  -1.199  -3.432
   43    HB2  LEU   6           HB2      LEU   6 -17.446  -0.834  -1.115
   44    HB3  LEU   6           HB1      LEU   6 -16.262   0.328  -1.682
   45    HG   LEU   6           HG       LEU   6 -18.802  -0.536  -3.050
   46   HD11  LEU   6          HD11      LEU   6 -19.105   1.136  -1.359
   47   HD12  LEU   6          HD12      LEU   6 -19.295   1.866  -2.954
   48   HD13  LEU   6          HD13      LEU   6 -17.806   2.114  -2.042
   49   HD21  LEU   6          HD21      LEU   6 -18.169   0.958  -4.892
   50   HD22  LEU   6          HD22      LEU   6 -17.050  -0.396  -4.737
   51   HD23  LEU   6          HD23      LEU   6 -16.588   1.200  -4.148
   52    H    GLU   7           HN       GLU   7 -16.680  -3.286  -0.805
   53    HA   GLU   7           HA       GLU   7 -14.360  -3.176   0.765
   54    HB2  GLU   7           HB2      GLU   7 -16.511  -4.265   1.431
   55    HB3  GLU   7           HB1      GLU   7 -16.126  -5.591   0.343
   56    HG2  GLU   7           HG2      GLU   7 -15.586  -6.157   2.638
   57    HG3  GLU   7           HG1      GLU   7 -14.132  -6.097   1.642
   58    H    ASP   8           HN       ASP   8 -15.195  -5.159  -2.078
   59    HA   ASP   8           HA       ASP   8 -12.803  -6.660  -2.109
   60    HB2  ASP   8           HB2      ASP   8 -14.944  -6.103  -4.019
   61    HB3  ASP   8           HB1      ASP   8 -13.376  -6.344  -4.783
   62    H    LYS   9           HN       LYS   9 -13.486  -3.405  -3.225
   63    HA   LYS   9           HA       LYS   9 -11.074  -3.041  -4.668
   64    HB2  LYS   9           HB2      LYS   9 -12.826  -0.982  -3.314
   65    HB3  LYS   9           HB1      LYS   9 -11.539  -0.621  -4.455
   66    HG2  LYS   9           HG2      LYS   9 -14.048  -2.177  -5.041
   67    HG3  LYS   9           HG1      LYS   9 -13.703  -0.518  -5.533
   68    HD2  LYS   9           HD2      LYS   9 -11.856  -1.280  -6.911
   69    HD3  LYS   9           HD1      LYS   9 -12.102  -2.938  -6.360
   70    HE2  LYS   9           HE2      LYS   9 -14.078  -1.287  -7.927
   71    HE3  LYS   9           HE1      LYS   9 -13.064  -2.573  -8.578
   72    HZ1  LYS   9           HZ1      LYS   9 -15.321  -3.319  -8.099
   73    HZ2  LYS   9           HZ2      LYS   9 -15.122  -2.930  -6.468
   74    HZ3  LYS   9           HZ3      LYS   9 -14.187  -4.156  -7.166
   75    H    VAL  10           HN       VAL  10 -12.010  -2.332  -1.325
   76    HA   VAL  10           HA       VAL  10  -9.599  -1.196  -0.449
   77    HB   VAL  10           HB       VAL  10 -11.183  -3.037   1.313
   78   HG11  VAL  10          HG11      VAL  10  -9.820  -0.404   1.801
   79   HG12  VAL  10          HG12      VAL  10  -9.168  -1.996   2.202
   80   HG13  VAL  10          HG13      VAL  10 -10.614  -1.403   3.021
   81   HG21  VAL  10          HG21      VAL  10 -12.811  -1.656   0.057
   82   HG22  VAL  10          HG22      VAL  10 -11.999  -0.214   0.668
   83   HG23  VAL  10          HG23      VAL  10 -12.793  -1.319   1.787
   84    H    GLU  11           HN       GLU  11 -10.695  -4.567  -0.494
   85    HA   GLU  11           HA       GLU  11  -8.350  -5.723   0.572
   86    HB2  GLU  11           HB2      GLU  11 -10.457  -6.926   0.538
   87    HB3  GLU  11           HB1      GLU  11 -10.523  -6.856  -1.214
   88    HG2  GLU  11           HG2      GLU  11  -9.906  -9.066  -0.508
   89    HG3  GLU  11           HG1      GLU  11  -8.545  -8.309  -1.331
   90    H    GLU  12           HN       GLU  12  -9.185  -4.661  -2.645
   91    HA   GLU  12           HA       GLU  12  -7.174  -6.111  -4.039
   92    HB2  GLU  12           HB2      GLU  12  -9.319  -4.688  -4.844
   93    HB3  GLU  12           HB1      GLU  12  -8.067  -3.482  -5.095
   94    HG2  GLU  12           HG2      GLU  12  -8.053  -6.254  -6.269
   95    HG3  GLU  12           HG1      GLU  12  -8.572  -4.798  -7.111
   96    H    LEU  13           HN       LEU  13  -7.385  -2.830  -2.694
   97    HA   LEU  13           HA       LEU  13  -4.685  -2.150  -3.267
   98    HB2  LEU  13           HB2      LEU  13  -6.747  -1.067  -1.387
   99    HB3  LEU  13           HB1      LEU  13  -5.082  -0.546  -1.240
  100    HG   LEU  13           HG       LEU  13  -5.198   0.160  -3.663
  101   HD11  LEU  13          HD11      LEU  13  -8.151  -0.223  -3.214
  102   HD12  LEU  13          HD12      LEU  13  -7.141  -1.180  -4.301
  103   HD13  LEU  13          HD13      LEU  13  -7.399   0.535  -4.619
  104   HD21  LEU  13          HD21      LEU  13  -6.400   2.231  -3.146
  105   HD22  LEU  13          HD22      LEU  13  -5.302   1.757  -1.850
  106   HD23  LEU  13          HD23      LEU  13  -7.036   1.484  -1.682
  107    H    LEU  14           HN       LEU  14  -6.304  -3.797  -0.664
  108    HA   LEU  14           HA       LEU  14  -4.195  -3.949   1.189
  109    HB2  LEU  14           HB2      LEU  14  -6.717  -4.642   1.348
  110    HB3  LEU  14           HB1      LEU  14  -6.144  -6.186   0.757
  111    HG   LEU  14           HG       LEU  14  -4.528  -6.198   2.724
  112   HD11  LEU  14          HD11      LEU  14  -6.402  -4.069   3.730
  113   HD12  LEU  14          HD12      LEU  14  -4.727  -3.795   3.240
  114   HD13  LEU  14          HD13      LEU  14  -5.086  -4.826   4.626
  115   HD21  LEU  14          HD21      LEU  14  -6.227  -7.025   4.263
  116   HD22  LEU  14          HD22      LEU  14  -6.530  -7.594   2.622
  117   HD23  LEU  14          HD23      LEU  14  -7.487  -6.271   3.288
  118    H    SER  15           HN       SER  15  -4.818  -5.578  -1.780
  119    HA   SER  15           HA       SER  15  -3.159  -7.842  -1.319
  120    HB2  SER  15           HB2      SER  15  -5.036  -7.833  -2.956
  121    HB3  SER  15           HB1      SER  15  -4.114  -6.717  -3.961
  122    HG   SER  15           HG       SER  15  -2.943  -9.142  -3.150
  123    H    LYS  16           HN       LYS  16  -2.716  -4.819  -3.222
  124    HA   LYS  16           HA       LYS  16   0.024  -5.505  -3.688
  125    HB2  LYS  16           HB2      LYS  16   0.356  -3.370  -4.679
  126    HB3  LYS  16           HB1      LYS  16  -1.179  -4.001  -5.253
  127    HG2  LYS  16           HG2      LYS  16  -2.406  -2.418  -4.091
  128    HG3  LYS  16           HG1      LYS  16  -1.097  -2.097  -2.947
  129    HD2  LYS  16           HD2      LYS  16   0.210  -1.042  -4.719
  130    HD3  LYS  16           HD1      LYS  16  -1.065  -1.393  -5.885
  131    HE2  LYS  16           HE2      LYS  16  -1.597   0.235  -3.426
  132    HE3  LYS  16           HE1      LYS  16  -0.938   0.975  -4.884
  133    HZ1  LYS  16           HZ1      LYS  16  -3.505  -0.508  -4.684
  134    HZ2  LYS  16           HZ2      LYS  16  -2.869   0.149  -6.101
  135    HZ3  LYS  16           HZ3      LYS  16  -3.329   1.168  -4.836
  136    H    ASN  17           HN       ASN  17  -1.689  -3.473  -1.361
  137    HA   ASN  17           HA       ASN  17   0.448  -2.360   0.041
  138    HB2  ASN  17           HB2      ASN  17  -2.326  -3.148   0.657
  139    HB3  ASN  17           HB1      ASN  17  -1.260  -3.192   2.054
  140   HD21  ASN  17          HD21      ASN  17  -3.512  -1.420   1.205
  141   HD22  ASN  17          HD22      ASN  17  -2.878   0.182   1.331
  142    H    TYR  18           HN       TYR  18  -0.923  -5.635   0.190
  143    HA   TYR  18           HA       TYR  18   0.628  -6.616   2.305
  144    HB2  TYR  18           HB2      TYR  18  -1.287  -7.827   1.354
  145    HB3  TYR  18           HB1      TYR  18  -0.381  -8.103  -0.129
  146    HD1  TYR  18           HD1      TYR  18  -0.642  -8.988   3.437
  147    HD2  TYR  18           HD2      TYR  18   1.267  -9.830  -0.266
  148    HE1  TYR  18           HE1      TYR  18   0.251 -11.078   4.378
  149    HE2  TYR  18           HE2      TYR  18   2.163 -11.916   0.660
  150    HH   TYR  18           HH       TYR  18   1.070 -13.242   3.595
  151    H    HIS  19           HN       HIS  19   1.264  -6.753  -1.191
  152    HA   HIS  19           HA       HIS  19   3.820  -7.981  -0.901
  153    HB2  HIS  19           HB2      HIS  19   2.387  -8.139  -2.947
  154    HB3  HIS  19           HB1      HIS  19   2.735  -6.445  -3.273
  155    HD1  HIS  19           HD1      HIS  19   4.113  -9.848  -3.628
  156    HD2  HIS  19           HD2      HIS  19   5.447  -5.937  -4.066
  157    HE1  HIS  19           HE1      HIS  19   6.266 -10.009  -4.915
  158    HE2  HIS  19           HE2      HIS  19   6.995  -7.623  -5.268
  159    H    LEU  20           HN       LEU  20   2.718  -4.673  -1.474
  160    HA   LEU  20           HA       LEU  20   5.235  -3.517  -1.830
  161    HB2  LEU  20           HB2      LEU  20   3.365  -2.436  -2.718
  162    HB3  LEU  20           HB1      LEU  20   2.465  -2.553  -1.227
  163    HG   LEU  20           HG       LEU  20   3.640  -0.790  -0.262
  164   HD11  LEU  20          HD11      LEU  20   5.878  -1.348  -1.089
  165   HD12  LEU  20          HD12      LEU  20   5.493   0.358  -1.334
  166   HD13  LEU  20          HD13      LEU  20   5.416  -0.771  -2.690
  167   HD21  LEU  20          HD21      LEU  20   3.356   1.038  -1.953
  168   HD22  LEU  20          HD22      LEU  20   1.937   0.020  -1.671
  169   HD23  LEU  20          HD23      LEU  20   2.929  -0.221  -3.111
  170    H    GLU  21           HN       GLU  21   3.304  -4.077   1.116
  171    HA   GLU  21           HA       GLU  21   5.010  -2.614   2.849
  172    HB2  GLU  21           HB2      GLU  21   3.013  -4.813   3.279
  173    HB3  GLU  21           HB1      GLU  21   4.060  -4.309   4.597
  174    HG2  GLU  21           HG2      GLU  21   3.205  -2.047   4.434
  175    HG3  GLU  21           HG1      GLU  21   2.203  -2.510   3.061
  176    H    ASN  22           HN       ASN  22   5.052  -5.895   1.614
  177    HA   ASN  22           HA       ASN  22   7.276  -6.740   3.212
  178    HB2  ASN  22           HB2      ASN  22   5.930  -7.884   0.767
  179    HB3  ASN  22           HB1      ASN  22   7.381  -8.608   1.445
  180   HD21  ASN  22          HD21      ASN  22   4.944  -7.109   3.440
  181   HD22  ASN  22          HD22      ASN  22   4.353  -8.568   4.151
  182    H    GLU  23           HN       GLU  23   6.826  -5.206   0.125
  183    HA   GLU  23           HA       GLU  23   9.380  -5.577  -0.967
  184    HB2  GLU  23           HB2      GLU  23   7.371  -4.732  -2.195
  185    HB3  GLU  23           HB1      GLU  23   7.553  -3.199  -1.354
  186    HG2  GLU  23           HG2      GLU  23   8.475  -3.035  -3.568
  187    HG3  GLU  23           HG1      GLU  23   9.770  -2.921  -2.376
  188    H    VAL  24           HN       VAL  24   8.065  -2.921   1.013
  189    HA   VAL  24           HA       VAL  24  10.438  -1.432   1.171
  190    HB   VAL  24           HB       VAL  24   8.074  -1.606   3.082
  191   HG11  VAL  24          HG11      VAL  24  10.153  -1.034   4.341
  192   HG12  VAL  24          HG12      VAL  24   8.996   0.296   4.276
  193   HG13  VAL  24          HG13      VAL  24  10.413   0.309   3.223
  194   HG21  VAL  24          HG21      VAL  24   7.648  -0.529   0.979
  195   HG22  VAL  24          HG22      VAL  24   9.070   0.496   1.178
  196   HG23  VAL  24          HG23      VAL  24   7.695   0.673   2.269
  197    H    ALA  25           HN       ALA  25   9.174  -4.066   3.164
  198    HA   ALA  25           HA       ALA  25  11.044  -4.041   5.224
  199    HB1  ALA  25           HB1      ALA  25  10.389  -6.352   5.638
  200    HB2  ALA  25           HB2      ALA  25   9.657  -6.445   4.036
  201    HB3  ALA  25           HB3      ALA  25   8.974  -5.369   5.255
  202    H    ARG  26           HN       ARG  26  11.146  -5.776   2.120
  203    HA   ARG  26           HA       ARG  26  13.588  -7.102   2.543
  204    HB2  ARG  26           HB2      ARG  26  12.392  -6.128  -0.060
  205    HB3  ARG  26           HB1      ARG  26  13.715  -7.277   0.078
  206    HG2  ARG  26           HG2      ARG  26  12.169  -8.782   1.336
  207    HG3  ARG  26           HG1      ARG  26  10.861  -7.662   0.947
  208    HD2  ARG  26           HD2      ARG  26  10.853  -9.453  -0.659
  209    HD3  ARG  26           HD1      ARG  26  11.376  -7.972  -1.459
  210    HE   ARG  26           HE       ARG  26  13.648  -9.342  -0.562
  211   HH11  ARG  26          HH11      ARG  26  11.113  -9.674  -2.945
  212   HH12  ARG  26          HH12      ARG  26  12.070 -10.647  -4.015
  213   HH21  ARG  26          HH21      ARG  26  14.915 -10.616  -1.970
  214   HH22  ARG  26          HH22      ARG  26  14.232 -11.180  -3.463
  215    H    LEU  27           HN       LEU  27  12.890  -4.042   0.890
  216    HA   LEU  27           HA       LEU  27  15.511  -3.332   0.247
  217    HB2  LEU  27           HB2      LEU  27  12.932  -1.917   0.553
  218    HB3  LEU  27           HB1      LEU  27  14.374  -0.930   0.590
  219    HG   LEU  27           HG       LEU  27  14.944  -1.473  -1.636
  220   HD11  LEU  27          HD11      LEU  27  13.792  -3.142  -2.970
  221   HD12  LEU  27          HD12      LEU  27  12.798  -3.587  -1.582
  222   HD13  LEU  27          HD13      LEU  27  14.537  -3.882  -1.553
  223   HD21  LEU  27          HD21      LEU  27  13.141   0.122  -1.463
  224   HD22  LEU  27          HD22      LEU  27  11.956  -1.184  -1.438
  225   HD23  LEU  27          HD23      LEU  27  12.916  -0.892  -2.886
  226    H    LYS  28           HN       LYS  28  13.646  -2.772   3.197
  227    HA   LYS  28           HA       LYS  28  15.450  -1.055   4.485
  228    HB2  LYS  28           HB2      LYS  28  13.353  -2.952   5.495
  229    HB3  LYS  28           HB1      LYS  28  14.402  -2.104   6.621
  230    HG2  LYS  28           HG2      LYS  28  12.571  -0.826   4.602
  231    HG3  LYS  28           HG1      LYS  28  12.291  -0.944   6.339
  232    HD2  LYS  28           HD2      LYS  28  14.392   0.356   6.694
  233    HD3  LYS  28           HD1      LYS  28  14.486   0.588   4.948
  234    HE2  LYS  28           HE2      LYS  28  13.488   2.537   5.889
  235    HE3  LYS  28           HE1      LYS  28  12.229   1.645   5.041
  236    HZ1  LYS  28           HZ1      LYS  28  11.510   0.740   7.175
  237    HZ2  LYS  28           HZ2      LYS  28  11.444   2.428   7.169
  238    HZ3  LYS  28           HZ3      LYS  28  12.702   1.638   7.971
  239    H    LYS  29           HN       LYS  29  15.523  -4.510   4.012
  240    HA   LYS  29           HA       LYS  29  17.511  -4.993   6.036
  241    HB2  LYS  29           HB2      LYS  29  15.950  -6.762   5.313
  242    HB3  LYS  29           HB1      LYS  29  16.668  -6.729   3.708
  243    HG2  LYS  29           HG2      LYS  29  18.803  -7.448   4.629
  244    HG3  LYS  29           HG1      LYS  29  18.104  -7.453   6.253
  245    HD2  LYS  29           HD2      LYS  29  16.500  -9.172   5.540
  246    HD3  LYS  29           HD1      LYS  29  17.242  -9.182   3.931
  247    HE2  LYS  29           HE2      LYS  29  18.079 -11.029   5.289
  248    HE3  LYS  29           HE1      LYS  29  19.367  -9.885   4.918
  249    HZ1  LYS  29           HZ1      LYS  29  19.101  -8.931   7.124
  250    HZ2  LYS  29           HZ2      LYS  29  19.446 -10.580   7.225
  251    HZ3  LYS  29           HZ3      LYS  29  17.867 -10.031   7.478
  252    H    LEU  30           HN       LEU  30  17.482  -4.343   2.603
  253    HA   LEU  30           HA       LEU  30  20.234  -4.943   2.159
  254    HB2  LEU  30           HB2      LEU  30  18.122  -3.519   0.580
  255    HB3  LEU  30           HB1      LEU  30  19.797  -3.441   0.071
  256    HG   LEU  30           HG       LEU  30  19.829  -5.928  -0.058
  257   HD11  LEU  30          HD11      LEU  30  17.723  -7.148  -0.065
  258   HD12  LEU  30          HD12      LEU  30  16.866  -5.682   0.411
  259   HD13  LEU  30          HD13      LEU  30  18.034  -6.418   1.508
  260   HD21  LEU  30          HD21      LEU  30  17.736  -4.531  -1.716
  261   HD22  LEU  30          HD22      LEU  30  18.497  -6.071  -2.113
  262   HD23  LEU  30          HD23      LEU  30  19.465  -4.601  -2.051
  263    H    VAL  31           HN       VAL  31  18.407  -1.948   2.684
  264    HA   VAL  31           HA       VAL  31  20.742  -0.286   2.781
  265    HB   VAL  31           HB       VAL  31  18.001   0.232   3.964
  266   HG11  VAL  31          HG11      VAL  31  20.222   2.138   3.232
  267   HG12  VAL  31          HG12      VAL  31  19.715   1.708   4.866
  268   HG13  VAL  31          HG13      VAL  31  18.620   2.597   3.808
  269   HG21  VAL  31          HG21      VAL  31  17.550   1.492   1.905
  270   HG22  VAL  31          HG22      VAL  31  17.825  -0.221   1.587
  271   HG23  VAL  31          HG23      VAL  31  19.096   0.955   1.250
  272    H    GLY  32           HN       GLY  32  19.032  -2.325   4.948
  273    HA2  GLY  32           HA2      GLY  32  19.859  -1.197   7.411
  274    HA3  GLY  32           HA1      GLY  32  19.193  -2.806   7.161
  275    H    GLU  33           HN       GLU  33  21.297  -3.509   5.242
  276    HA   GLU  33           HA       GLU  33  23.310  -4.538   5.180
  277    HB2  GLU  33           HB2      GLU  33  24.159  -2.248   5.714
  278    HB3  GLU  33           HB1      GLU  33  24.114  -2.670   7.419
  279    HG2  GLU  33           HG2      GLU  33  25.709  -4.506   6.956
  280    HG3  GLU  33           HG1      GLU  33  25.814  -3.945   5.290
  281    H1   GLY   1           HT1      GLY   1 -24.160   6.121   4.804
  282    H2   GLY   1           HT2      GLY   1 -22.771   6.380   3.877
  283    H3   GLY   1           HT3      GLY   1 -22.699   5.391   5.247
  284    HA2  GLY   1           HA1      GLY   1 -24.182   3.798   4.203
  285    HA3  GLY   1           HA2      GLY   1 -24.233   4.822   2.777
  286    H    SER   2           HN       SER   2 -23.426   2.179   2.642
  287    HA   SER   2           HA       SER   2 -20.738   1.619   3.011
  288    HB2  SER   2           HB2      SER   2 -21.139  -0.054   1.087
  289    HB3  SER   2           HB1      SER   2 -22.150  -0.202   2.533
  290    HG   SER   2           HG       SER   2 -23.682  -0.136   1.064
  291    H    MET   3           HN       MET   3 -22.314   3.189   0.267
  292    HA   MET   3           HA       MET   3 -20.305   2.857  -1.609
  293    HB2  MET   3           HB2      MET   3 -22.267   5.128  -1.347
  294    HB3  MET   3           HB1      MET   3 -21.272   4.829  -2.765
  295    HG2  MET   3           HG2      MET   3 -22.326   2.577  -2.937
  296    HG3  MET   3           HG1      MET   3 -23.422   3.052  -1.643
  297    HE1  MET   3           HE1      MET   3 -23.284   4.877  -5.866
  298    HE2  MET   3           HE2      MET   3 -22.283   3.544  -5.285
  299    HE3  MET   3           HE3      MET   3 -22.007   5.179  -4.687
  300    H    LYS   4           HN       LYS   4 -20.708   5.568   0.667
  301    HA   LYS   4           HA       LYS   4 -18.265   6.781  -0.343
  302    HB2  LYS   4           HB2      LYS   4 -20.138   7.675   1.853
  303    HB3  LYS   4           HB1      LYS   4 -18.793   8.612   1.222
  304    HG2  LYS   4           HG2      LYS   4 -21.193   7.729  -0.371
  305    HG3  LYS   4           HG1      LYS   4 -20.960   9.334   0.322
  306    HD2  LYS   4           HD2      LYS   4 -19.146   8.043  -1.719
  307    HD3  LYS   4           HD1      LYS   4 -20.397   9.231  -2.082
  308    HE2  LYS   4           HE2      LYS   4 -19.254  10.853  -0.628
  309    HE3  LYS   4           HE1      LYS   4 -17.989   9.665  -0.319
  310    HZ1  LYS   4           HZ1      LYS   4 -17.470   9.667  -2.684
  311    HZ2  LYS   4           HZ2      LYS   4 -17.317  11.216  -2.026
  312    HZ3  LYS   4           HZ3      LYS   4 -18.667  10.829  -2.964
  313    H    GLN   5           HN       GLN   5 -19.180   4.709   2.211
  314    HA   GLN   5           HA       GLN   5 -17.054   5.578   3.983
  315    HB2  GLN   5           HB2      GLN   5 -19.216   3.495   4.314
  316    HB3  GLN   5           HB1      GLN   5 -17.978   3.820   5.520
  317    HG2  GLN   5           HG2      GLN   5 -18.776   6.130   5.700
  318    HG3  GLN   5           HG1      GLN   5 -20.038   5.773   4.520
  319   HE21  GLN   5          HE21      GLN   5 -18.913   5.258   7.756
  320   HE22  GLN   5          HE22      GLN   5 -20.386   4.604   8.384
  321    H    LEU   6           HN       LEU   6 -18.004   2.755   2.079
  322    HA   LEU   6           HA       LEU   6 -15.657   1.267   2.764
  323    HB2  LEU   6           HB2      LEU   6 -17.460   0.915   0.372
  324    HB3  LEU   6           HB1      LEU   6 -16.309  -0.255   0.985
  325    HG   LEU   6           HG       LEU   6 -18.897   0.625   2.249
  326   HD11  LEU   6          HD11      LEU   6 -19.142  -1.049   0.550
  327   HD12  LEU   6          HD12      LEU   6 -19.400  -1.774   2.137
  328   HD13  LEU   6          HD13      LEU   6 -17.877  -2.033   1.286
  329   HD21  LEU   6          HD21      LEU   6 -18.348  -0.872   4.115
  330   HD22  LEU   6          HD22      LEU   6 -17.218   0.476   4.008
  331   HD23  LEU   6          HD23      LEU   6 -16.740  -1.122   3.436
  332    H    GLU   7           HN       GLU   7 -16.664   3.363   0.096
  333    HA   GLU   7           HA       GLU   7 -14.285   3.231  -1.385
  334    HB2  GLU   7           HB2      GLU   7 -16.398   4.339  -2.133
  335    HB3  GLU   7           HB1      GLU   7 -16.047   5.661  -1.030
  336    HG2  GLU   7           HG2      GLU   7 -15.412   6.216  -3.304
  337    HG3  GLU   7           HG1      GLU   7 -14.000   6.154  -2.250
  338    H    ASP   8           HN       ASP   8 -15.216   5.220   1.423
  339    HA   ASP   8           HA       ASP   8 -12.818   6.706   1.548
  340    HB2  ASP   8           HB2      ASP   8 -15.040   6.165   3.367
  341    HB3  ASP   8           HB1      ASP   8 -13.503   6.407   4.193
  342    H    LYS   9           HN       LYS   9 -13.571   3.457   2.635
  343    HA   LYS   9           HA       LYS   9 -11.221   3.076   4.175
  344    HB2  LYS   9           HB2      LYS   9 -12.932   1.028   2.751
  345    HB3  LYS   9           HB1      LYS   9 -11.694   0.659   3.943
  346    HG2  LYS   9           HG2      LYS   9 -14.214   2.232   4.429
  347    HG3  LYS   9           HG1      LYS   9 -13.902   0.571   4.934
  348    HD2  LYS   9           HD2      LYS   9 -12.109   1.318   6.385
  349    HD3  LYS   9           HD1      LYS   9 -12.317   2.978   5.826
  350    HE2  LYS   9           HE2      LYS   9 -14.372   1.345   7.305
  351    HE3  LYS   9           HE1      LYS   9 -13.373   2.615   8.004
  352    HZ1  LYS   9           HZ1      LYS   9 -15.606   3.386   7.433
  353    HZ2  LYS   9           HZ2      LYS   9 -15.332   3.009   5.809
  354    HZ3  LYS   9           HZ3      LYS   9 -14.420   4.216   6.560
  355    H    VAL  10           HN       VAL  10 -12.027   2.374   0.798
  356    HA   VAL  10           HA       VAL  10  -9.591   1.222   0.021
  357    HB   VAL  10           HB       VAL  10 -11.088   3.076  -1.799
  358   HG11  VAL  10          HG11      VAL  10  -9.729   0.432  -2.237
  359   HG12  VAL  10          HG12      VAL  10  -9.048   2.019  -2.609
  360   HG13  VAL  10          HG13      VAL  10 -10.465   1.438  -3.487
  361   HG21  VAL  10          HG21      VAL  10 -12.777   1.709  -0.612
  362   HG22  VAL  10          HG22      VAL  10 -11.952   0.259  -1.189
  363   HG23  VAL  10          HG23      VAL  10 -12.691   1.370  -2.339
  364    H    GLU  11           HN       GLU  11 -10.663   4.601   0.026
  365    HA   GLU  11           HA       GLU  11  -8.270   5.741  -0.949
  366    HB2  GLU  11           HB2      GLU  11 -10.368   6.955  -0.991
  367    HB3  GLU  11           HB1      GLU  11 -10.500   6.883   0.757
  368    HG2  GLU  11           HG2      GLU  11  -9.841   9.090   0.068
  369    HG3  GLU  11           HG1      GLU  11  -8.525   8.324   0.954
  370    H    GLU  12           HN       GLU  12  -9.242   4.695   2.236
  371    HA   GLU  12           HA       GLU  12  -7.276   6.118   3.709
  372    HB2  GLU  12           HB2      GLU  12  -9.465   4.713   4.423
  373    HB3  GLU  12           HB1      GLU  12  -8.236   3.495   4.723
  374    HG2  GLU  12           HG2      GLU  12  -8.249   6.265   5.902
  375    HG3  GLU  12           HG1      GLU  12  -8.809   4.810   6.720
  376    H    LEU  13           HN       LEU  13  -7.458   2.836   2.354
  377    HA   LEU  13           HA       LEU  13  -4.787   2.138   3.035
  378    HB2  LEU  13           HB2      LEU  13  -6.777   1.074   1.069
  379    HB3  LEU  13           HB1      LEU  13  -5.111   0.538   0.991
  380    HG   LEU  13           HG       LEU  13  -5.337  -0.166   3.407
  381   HD11  LEU  13          HD11      LEU  13  -8.265   0.238   2.836
  382   HD12  LEU  13          HD12      LEU  13  -7.293   1.186   3.965
  383   HD13  LEU  13          HD13      LEU  13  -7.576  -0.529   4.268
  384   HD21  LEU  13          HD21      LEU  13  -6.527  -2.228   2.839
  385   HD22  LEU  13          HD22      LEU  13  -5.375  -1.761   1.590
  386   HD23  LEU  13          HD23      LEU  13  -7.099  -1.478   1.350
  387    H    LEU  14           HN       LEU  14  -6.288   3.800   0.374
  388    HA   LEU  14           HA       LEU  14  -4.109   3.933  -1.399
  389    HB2  LEU  14           HB2      LEU  14  -6.615   4.646  -1.656
  390    HB3  LEU  14           HB1      LEU  14  -6.055   6.186  -1.042
  391    HG   LEU  14           HG       LEU  14  -4.364   6.187  -2.944
  392   HD11  LEU  14          HD11      LEU  14  -6.214   4.075  -4.023
  393   HD12  LEU  14          HD12      LEU  14  -4.564   3.784  -3.465
  394   HD13  LEU  14          HD13      LEU  14  -4.853   4.818  -4.864
  395   HD21  LEU  14          HD21      LEU  14  -5.991   7.029  -4.548
  396   HD22  LEU  14          HD22      LEU  14  -6.357   7.596  -2.919
  397   HD23  LEU  14          HD23      LEU  14  -7.298   6.283  -3.627
  398    H    SER  15           HN       SER  15  -4.836   5.573   1.539
  399    HA   SER  15           HA       SER  15  -3.143   7.821   1.150
  400    HB2  SER  15           HB2      SER  15  -5.096   7.803   2.708
  401    HB3  SER  15           HB1      SER  15  -4.201   6.706   3.757
  402    HG   SER  15           HG       SER  15  -2.945   9.077   2.986
  403    H    LYS  16           HN       LYS  16  -2.799   4.799   3.076
  404    HA   LYS  16           HA       LYS  16  -0.074   5.459   3.646
  405    HB2  LYS  16           HB2      LYS  16   0.200   3.323   4.651
  406    HB3  LYS  16           HB1      LYS  16  -1.353   3.966   5.162
  407    HG2  LYS  16           HG2      LYS  16  -2.542   2.389   3.950
  408    HG3  LYS  16           HG1      LYS  16  -1.190   2.061   2.859
  409    HD2  LYS  16           HD2      LYS  16   0.037   0.993   4.676
  410    HD3  LYS  16           HD1      LYS  16  -1.276   1.355   5.795
  411    HE2  LYS  16           HE2      LYS  16  -1.734  -0.267   3.315
  412    HE3  LYS  16           HE1      LYS  16  -1.134  -1.014   4.795
  413    HZ1  LYS  16           HZ1      LYS  16  -3.677   0.494   4.511
  414    HZ2  LYS  16           HZ2      LYS  16  -3.098  -0.178   5.944
  415    HZ3  LYS  16           HZ3      LYS  16  -3.523  -1.185   4.659
  416    H    ASN  17           HN       ASN  17  -1.706   3.434   1.256
  417    HA   ASN  17           HA       ASN  17   0.476   2.312  -0.064
  418    HB2  ASN  17           HB2      ASN  17  -2.265   3.122  -0.793
  419    HB3  ASN  17           HB1      ASN  17  -1.140   3.153  -2.145
  420   HD21  ASN  17          HD21      ASN  17  -3.441   1.403  -1.395
  421   HD22  ASN  17          HD22      ASN  17  -2.815  -0.205  -1.490
  422    H    TYR  18           HN       TYR  18  -0.856   5.599  -0.251
  423    HA   TYR  18           HA       TYR  18   0.779   6.568  -2.315
  424    HB2  TYR  18           HB2      TYR  18  -1.166   7.793  -1.436
  425    HB3  TYR  18           HB1      TYR  18  -0.316   8.061   0.080
  426    HD1  TYR  18           HD1      TYR  18  -0.427   8.946  -3.495
  427    HD2  TYR  18           HD2      TYR  18   1.329   9.786   0.288
  428    HE1  TYR  18           HE1      TYR  18   0.520  11.027  -4.401
  429    HE2  TYR  18           HE2      TYR  18   2.278  11.866  -0.610
  430    HH   TYR  18           HH       TYR  18   1.320  13.201  -3.569
  431    H    HIS  19           HN       HIS  19   1.271   6.716   1.203
  432    HA   HIS  19           HA       HIS  19   3.851   7.911   1.017
  433    HB2  HIS  19           HB2      HIS  19   2.333   8.073   3.006
  434    HB3  HIS  19           HB1      HIS  19   2.660   6.378   3.342
  435    HD1  HIS  19           HD1      HIS  19   4.052   9.777   3.744
  436    HD2  HIS  19           HD2      HIS  19   5.326   5.852   4.254
  437    HE1  HIS  19           HE1      HIS  19   6.148   9.920   5.127
  438    HE2  HIS  19           HE2      HIS  19   6.853   7.529   5.498
  439    H    LEU  20           HN       LEU  20   2.697   4.608   1.539
  440    HA   LEU  20           HA       LEU  20   5.190   3.433   1.999
  441    HB2  LEU  20           HB2      LEU  20   3.276   2.367   2.811
  442    HB3  LEU  20           HB1      LEU  20   2.440   2.490   1.284
  443    HG   LEU  20           HG       LEU  20   3.638   0.718   0.368
  444   HD11  LEU  20          HD11      LEU  20   5.846   1.259   1.282
  445   HD12  LEU  20          HD12      LEU  20   5.437  -0.444   1.510
  446   HD13  LEU  20          HD13      LEU  20   5.315   0.684   2.863
  447   HD21  LEU  20          HD21      LEU  20   3.273  -1.108   2.042
  448   HD22  LEU  20          HD22      LEU  20   1.874  -0.078   1.707
  449   HD23  LEU  20          HD23      LEU  20   2.811   0.152   3.185
  450    H    GLU  21           HN       GLU  21   3.380   4.005  -1.024
  451    HA   GLU  21           HA       GLU  21   5.146   2.532  -2.682
  452    HB2  GLU  21           HB2      GLU  21   3.188   4.746  -3.200
  453    HB3  GLU  21           HB1      GLU  21   4.286   4.229  -4.472
  454    HG2  GLU  21           HG2      GLU  21   3.405   1.974  -4.338
  455    HG3  GLU  21           HG1      GLU  21   2.349   2.451  -3.011
  456    H    ASN  22           HN       ASN  22   5.165   5.817  -1.448
  457    HA   ASN  22           HA       ASN  22   7.460   6.639  -2.956
  458    HB2  ASN  22           HB2      ASN  22   6.030   7.798  -0.565
  459    HB3  ASN  22           HB1      ASN  22   7.511   8.510  -1.191
  460   HD21  ASN  22          HD21      ASN  22   5.136   7.024  -3.274
  461   HD22  ASN  22          HD22      ASN  22   4.573   8.487  -3.999
  462    H    GLU  23           HN       GLU  23   6.875   5.115   0.112
  463    HA   GLU  23           HA       GLU  23   9.388   5.461   1.304
  464    HB2  GLU  23           HB2      GLU  23   7.323   4.636   2.446
  465    HB3  GLU  23           HB1      GLU  23   7.526   3.100   1.616
  466    HG2  GLU  23           HG2      GLU  23   8.358   2.934   3.864
  467    HG3  GLU  23           HG1      GLU  23   9.698   2.809   2.726
  468    H    VAL  24           HN       VAL  24   8.130   2.816  -0.729
  469    HA   VAL  24           HA       VAL  24  10.497   1.312  -0.797
  470    HB   VAL  24           HB       VAL  24   8.212   1.504  -2.796
  471   HG11  VAL  24          HG11      VAL  24  10.335   0.918  -3.973
  472   HG12  VAL  24          HG12      VAL  24   9.166  -0.404  -3.956
  473   HG13  VAL  24          HG13      VAL  24  10.540  -0.429  -2.847
  474   HG21  VAL  24          HG21      VAL  24   7.690   0.428  -0.715
  475   HG22  VAL  24          HG22      VAL  24   9.111  -0.609  -0.854
  476   HG23  VAL  24          HG23      VAL  24   7.781  -0.774  -2.001
  477    H    ALA  25           HN       ALA  25   9.335   3.964  -2.826
  478    HA   ALA  25           HA       ALA  25  11.281   3.921  -4.816
  479    HB1  ALA  25           HB1      ALA  25  10.662   6.236  -5.254
  480    HB2  ALA  25           HB2      ALA  25   9.873   6.337  -3.680
  481    HB3  ALA  25           HB3      ALA  25   9.225   5.267  -4.922
  482    H    ARG  26           HN       ARG  26  11.272   5.665  -1.714
  483    HA   ARG  26           HA       ARG  26  13.745   6.959  -2.030
  484    HB2  ARG  26           HB2      ARG  26  12.437   5.992   0.521
  485    HB3  ARG  26           HB1      ARG  26  13.773   7.132   0.436
  486    HG2  ARG  26           HG2      ARG  26  12.288   8.649  -0.880
  487    HG3  ARG  26           HG1      ARG  26  10.959   7.537  -0.544
  488    HD2  ARG  26           HD2      ARG  26  10.902   9.326   1.063
  489    HD3  ARG  26           HD1      ARG  26  11.385   7.841   1.879
  490    HE   ARG  26           HE       ARG  26  13.699   9.197   1.070
  491   HH11  ARG  26          HH11      ARG  26  11.071   9.546   3.355
  492   HH12  ARG  26          HH12      ARG  26  11.994  10.505   4.465
  493   HH21  ARG  26          HH21      ARG  26  14.920  10.457   2.528
  494   HH22  ARG  26          HH22      ARG  26  14.184  11.024   3.994
  495    H    LEU  27           HN       LEU  27  12.954   3.906  -0.406
  496    HA   LEU  27           HA       LEU  27  15.541   3.174   0.338
  497    HB2  LEU  27           HB2      LEU  27  12.967   1.777  -0.075
  498    HB3  LEU  27           HB1      LEU  27  14.403   0.780  -0.053
  499    HG   LEU  27           HG       LEU  27  14.885   1.320   2.195
  500   HD11  LEU  27          HD11      LEU  27  13.696   2.997   3.483
  501   HD12  LEU  27          HD12      LEU  27  12.756   3.448   2.059
  502   HD13  LEU  27          HD13      LEU  27  14.496   3.731   2.095
  503   HD21  LEU  27          HD21      LEU  27  13.081  -0.264   1.949
  504   HD22  LEU  27          HD22      LEU  27  11.907   1.048   1.877
  505   HD23  LEU  27          HD23      LEU  27  12.806   0.750   3.362
  506    H    LYS  28           HN       LYS  28  13.792   2.626  -2.684
  507    HA   LYS  28           HA       LYS  28  15.635   0.897  -3.900
  508    HB2  LYS  28           HB2      LYS  28  13.592   2.809  -4.990
  509    HB3  LYS  28           HB1      LYS  28  14.677   1.954  -6.075
  510    HG2  LYS  28           HG2      LYS  28  12.762   0.686  -4.129
  511    HG3  LYS  28           HG1      LYS  28  12.550   0.805  -5.875
  512    HD2  LYS  28           HD2      LYS  28  14.660  -0.504  -6.146
  513    HD3  LYS  28           HD1      LYS  28  14.676  -0.742  -4.399
  514    HE2  LYS  28           HE2      LYS  28  13.709  -2.683  -5.394
  515    HE3  LYS  28           HE1      LYS  28  12.421  -1.788  -4.592
  516    HZ1  LYS  28           HZ1      LYS  28  11.802  -0.860  -6.753
  517    HZ2  LYS  28           HZ2      LYS  28  11.716  -2.549  -6.758
  518    HZ3  LYS  28           HZ3      LYS  28  13.016  -1.769  -7.502
  519    H    LYS  29           HN       LYS  29  15.719   4.351  -3.421
  520    HA   LYS  29           HA       LYS  29  17.784   4.817  -5.370
  521    HB2  LYS  29           HB2      LYS  29  16.214   6.600  -4.708
  522    HB3  LYS  29           HB1      LYS  29  16.866   6.560  -3.075
  523    HG2  LYS  29           HG2      LYS  29  19.043   7.264  -3.908
  524    HG3  LYS  29           HG1      LYS  29  18.412   7.274  -5.558
  525    HD2  LYS  29           HD2      LYS  29  16.796   9.007  -4.917
  526    HD3  LYS  29           HD1      LYS  29  17.463   9.009  -3.276
  527    HE2  LYS  29           HE2      LYS  29  18.376  10.849  -4.590
  528    HE3  LYS  29           HE1      LYS  29  19.636   9.692  -4.165
  529    HZ1  LYS  29           HZ1      LYS  29  19.456   8.744  -6.386
  530    HZ2  LYS  29           HZ2      LYS  29  19.826  10.391  -6.466
  531    HZ3  LYS  29           HZ3      LYS  29  18.254   9.862  -6.788
  532    H    LEU  30           HN       LEU  30  17.617   4.176  -1.938
  533    HA   LEU  30           HA       LEU  30  20.351   4.750  -1.384
  534    HB2  LEU  30           HB2      LEU  30  18.166   3.340   0.109
  535    HB3  LEU  30           HB1      LEU  30  19.818   3.253   0.686
  536    HG   LEU  30           HG       LEU  30  19.859   5.738   0.816
  537   HD11  LEU  30          HD11      LEU  30  17.764   6.972   0.738
  538   HD12  LEU  30          HD12      LEU  30  16.916   5.513   0.227
  539   HD13  LEU  30          HD13      LEU  30  18.132   6.239  -0.822
  540   HD21  LEU  30          HD21      LEU  30  17.690   4.359   2.387
  541   HD22  LEU  30          HD22      LEU  30  18.449   5.892   2.817
  542   HD23  LEU  30          HD23      LEU  30  19.406   4.412   2.790
  543    H    VAL  31           HN       VAL  31  18.531   1.769  -1.983
  544    HA   VAL  31           HA       VAL  31  20.853   0.089  -1.990
  545    HB   VAL  31           HB       VAL  31  18.155  -0.411  -3.276
  546   HG11  VAL  31          HG11      VAL  31  20.330  -2.332  -2.458
  547   HG12  VAL  31          HG12      VAL  31  19.891  -1.898  -4.109
  548   HG13  VAL  31          HG13      VAL  31  18.749  -2.780  -3.096
  549   HG21  VAL  31          HG21      VAL  31  17.612  -1.662  -1.235
  550   HG22  VAL  31          HG22      VAL  31  17.886   0.049  -0.909
  551   HG23  VAL  31          HG23      VAL  31  19.134  -1.134  -0.518
  552    H    GLY  32           HN       GLY  32  19.258   2.155  -4.214
  553    HA2  GLY  32           HA2      GLY  32  20.169   1.011  -6.646
  554    HA3  GLY  32           HA1      GLY  32  19.501   2.623  -6.427
  555    H    GLU  33           HN       GLU  33  21.521   3.320  -4.416
  556    HA   GLU  33           HA       GLU  33  23.539   4.333  -4.270
  557    HB2  GLU  33           HB2      GLU  33  24.393   2.037  -4.775
  558    HB3  GLU  33           HB1      GLU  33  24.412   2.459  -6.481
  559    HG2  GLU  33           HG2      GLU  33  26.011   4.276  -5.967
  560    HG3  GLU  33           HG1      GLU  33  26.046   3.724  -4.294
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -26.670  -6.057  -4.826
    2    H2   GLY   1           HT2      GLY   1 -25.605  -5.414  -5.965
    3    H3   GLY   1           HT3      GLY   1 -26.196  -4.440  -4.717
    4    HA2  GLY   1           HA1      GLY   1 -25.038  -5.773  -3.082
    5    HA3  GLY   1           HA2      GLY   1 -24.431  -6.795  -4.375
    6    H    SER   2           HN       SER   2 -23.804  -4.125  -2.456
    7    HA   SER   2           HA       SER   2 -21.741  -3.167  -4.324
    8    HB2  SER   2           HB2      SER   2 -21.819  -1.100  -2.744
    9    HB3  SER   2           HB1      SER   2 -23.120  -1.319  -3.921
   10    HG   SER   2           HG       SER   2 -23.838  -0.830  -1.753
   11    H    MET   3           HN       MET   3 -22.392  -4.357  -1.112
   12    HA   MET   3           HA       MET   3 -20.158  -3.459   0.250
   13    HB2  MET   3           HB2      MET   3 -21.709  -6.020   0.597
   14    HB3  MET   3           HB1      MET   3 -20.484  -5.460   1.725
   15    HG2  MET   3           HG2      MET   3 -23.038  -4.039   1.017
   16    HG3  MET   3           HG1      MET   3 -22.695  -4.900   2.515
   17    HE1  MET   3           HE1      MET   3 -19.910  -2.652   4.118
   18    HE2  MET   3           HE2      MET   3 -19.652  -4.039   3.062
   19    HE3  MET   3           HE3      MET   3 -20.902  -4.097   4.305
   20    H    LYS   4           HN       LYS   4 -20.503  -6.583  -1.442
   21    HA   LYS   4           HA       LYS   4 -17.827  -7.369  -0.843
   22    HB2  LYS   4           HB2      LYS   4 -19.977  -8.481  -2.612
   23    HB3  LYS   4           HB1      LYS   4 -18.345  -9.120  -2.697
   24    HG2  LYS   4           HG2      LYS   4 -19.588 -10.523  -1.249
   25    HG3  LYS   4           HG1      LYS   4 -18.482  -9.587  -0.249
   26    HD2  LYS   4           HD2      LYS   4 -20.294  -8.074   0.359
   27    HD3  LYS   4           HD1      LYS   4 -21.404  -8.970  -0.680
   28    HE2  LYS   4           HE2      LYS   4 -21.710  -9.633   1.628
   29    HE3  LYS   4           HE1      LYS   4 -21.049 -10.974   0.698
   30    HZ1  LYS   4           HZ1      LYS   4 -18.847 -10.400   1.564
   31    HZ2  LYS   4           HZ2      LYS   4 -19.928 -10.792   2.802
   32    HZ3  LYS   4           HZ3      LYS   4 -19.533  -9.178   2.507
   33    H    GLN   5           HN       GLN   5 -19.019  -5.187  -3.042
   34    HA   GLN   5           HA       GLN   5 -17.017  -5.737  -5.101
   35    HB2  GLN   5           HB2      GLN   5 -19.279  -3.728  -5.095
   36    HB3  GLN   5           HB1      GLN   5 -18.217  -4.079  -6.449
   37    HG2  GLN   5           HG2      GLN   5 -20.099  -6.058  -5.187
   38    HG3  GLN   5           HG1      GLN   5 -20.444  -5.117  -6.633
   39   HE21  GLN   5          HE21      GLN   5 -20.686  -6.900  -7.926
   40   HE22  GLN   5          HE22      GLN   5 -19.364  -7.903  -8.405
   41    H    LEU   6           HN       LEU   6 -18.156  -3.250  -2.886
   42    HA   LEU   6           HA       LEU   6 -16.008  -1.451  -3.349
   43    HB2  LEU   6           HB2      LEU   6 -18.042  -1.813  -1.181
   44    HB3  LEU   6           HB1      LEU   6 -16.674  -0.765  -0.892
   45    HG   LEU   6           HG       LEU   6 -18.730   0.439  -1.590
   46   HD11  LEU   6          HD11      LEU   6 -16.446   1.348  -1.986
   47   HD12  LEU   6          HD12      LEU   6 -17.669   1.941  -3.107
   48   HD13  LEU   6          HD13      LEU   6 -16.525   0.709  -3.628
   49   HD21  LEU   6          HD21      LEU   6 -19.643  -1.211  -3.126
   50   HD22  LEU   6          HD22      LEU   6 -18.290  -0.954  -4.227
   51   HD23  LEU   6          HD23      LEU   6 -19.441   0.348  -3.924
   52    H    GLU   7           HN       GLU   7 -16.628  -3.998  -0.949
   53    HA   GLU   7           HA       GLU   7 -14.176  -3.806   0.405
   54    HB2  GLU   7           HB2      GLU   7 -16.049  -6.133  -0.008
   55    HB3  GLU   7           HB1      GLU   7 -14.608  -6.241   0.993
   56    HG2  GLU   7           HG2      GLU   7 -16.798  -4.228   1.436
   57    HG3  GLU   7           HG1      GLU   7 -16.739  -5.803   2.222
   58    H    ASP   8           HN       ASP   8 -15.050  -5.443  -2.609
   59    HA   ASP   8           HA       ASP   8 -12.676  -6.926  -2.921
   60    HB2  ASP   8           HB2      ASP   8 -14.757  -5.912  -4.766
   61    HB3  ASP   8           HB1      ASP   8 -13.195  -6.280  -5.491
   62    H    LYS   9           HN       LYS   9 -13.413  -3.563  -3.647
   63    HA   LYS   9           HA       LYS   9 -10.927  -3.028  -4.943
   64    HB2  LYS   9           HB2      LYS   9 -12.974  -1.154  -3.740
   65    HB3  LYS   9           HB1      LYS   9 -11.616  -0.651  -4.738
   66    HG2  LYS   9           HG2      LYS   9 -12.502  -1.831  -6.635
   67    HG3  LYS   9           HG1      LYS   9 -13.791  -2.523  -5.649
   68    HD2  LYS   9           HD2      LYS   9 -14.729  -0.314  -5.284
   69    HD3  LYS   9           HD1      LYS   9 -13.403   0.419  -6.193
   70    HE2  LYS   9           HE2      LYS   9 -15.408   0.227  -7.570
   71    HE3  LYS   9           HE1      LYS   9 -14.106  -0.781  -8.199
   72    HZ1  LYS   9           HZ1      LYS   9 -16.158  -1.991  -8.248
   73    HZ2  LYS   9           HZ2      LYS   9 -16.435  -1.701  -6.608
   74    HZ3  LYS   9           HZ3      LYS   9 -15.151  -2.690  -7.084
   75    H    VAL  10           HN       VAL  10 -12.156  -2.607  -1.655
   76    HA   VAL  10           HA       VAL  10  -9.958  -1.194  -0.616
   77    HB   VAL  10           HB       VAL  10 -11.513  -3.215   0.986
   78   HG11  VAL  10          HG11      VAL  10  -9.640  -2.192   2.117
   79   HG12  VAL  10          HG12      VAL  10 -11.153  -1.601   2.803
   80   HG13  VAL  10          HG13      VAL  10 -10.234  -0.585   1.691
   81   HG21  VAL  10          HG21      VAL  10 -12.402  -0.382   0.558
   82   HG22  VAL  10          HG22      VAL  10 -13.262  -1.681   1.382
   83   HG23  VAL  10          HG23      VAL  10 -13.046  -1.737  -0.367
   84    H    GLU  11           HN       GLU  11 -10.655  -4.686  -0.682
   85    HA   GLU  11           HA       GLU  11  -8.199  -5.461   0.535
   86    HB2  GLU  11           HB2      GLU  11 -10.129  -7.042  -1.179
   87    HB3  GLU  11           HB1      GLU  11  -8.797  -7.739  -0.268
   88    HG2  GLU  11           HG2      GLU  11  -9.803  -7.004   1.810
   89    HG3  GLU  11           HG1      GLU  11 -11.118  -6.237   0.918
   90    H    GLU  12           HN       GLU  12  -9.070  -4.598  -2.676
   91    HA   GLU  12           HA       GLU  12  -6.984  -5.905  -4.079
   92    HB2  GLU  12           HB2      GLU  12  -8.950  -5.010  -5.229
   93    HB3  GLU  12           HB1      GLU  12  -8.522  -3.381  -4.731
   94    HG2  GLU  12           HG2      GLU  12  -6.508  -3.479  -6.086
   95    HG3  GLU  12           HG1      GLU  12  -6.902  -5.130  -6.567
   96    H    LEU  13           HN       LEU  13  -7.367  -2.614  -2.804
   97    HA   LEU  13           HA       LEU  13  -4.674  -1.861  -3.290
   98    HB2  LEU  13           HB2      LEU  13  -6.703  -0.759  -1.348
   99    HB3  LEU  13           HB1      LEU  13  -5.155  -0.014  -1.695
  100    HG   LEU  13           HG       LEU  13  -7.460  -0.364  -3.609
  101   HD11  LEU  13          HD11      LEU  13  -6.142   2.094  -2.472
  102   HD12  LEU  13          HD12      LEU  13  -7.704   1.441  -1.980
  103   HD13  LEU  13          HD13      LEU  13  -7.486   2.064  -3.616
  104   HD21  LEU  13          HD21      LEU  13  -4.705   0.757  -4.102
  105   HD22  LEU  13          HD22      LEU  13  -6.063   0.862  -5.221
  106   HD23  LEU  13          HD23      LEU  13  -5.380  -0.711  -4.808
  107    H    LEU  14           HN       LEU  14  -6.334  -3.511  -0.728
  108    HA   LEU  14           HA       LEU  14  -4.370  -3.455   1.277
  109    HB2  LEU  14           HB2      LEU  14  -6.757  -4.297   1.427
  110    HB3  LEU  14           HB1      LEU  14  -6.206  -5.754   0.629
  111    HG   LEU  14           HG       LEU  14  -4.570  -6.046   2.547
  112   HD11  LEU  14          HD11      LEU  14  -4.693  -3.746   3.396
  113   HD12  LEU  14          HD12      LEU  14  -5.097  -4.938   4.633
  114   HD13  LEU  14          HD13      LEU  14  -6.379  -4.019   3.845
  115   HD21  LEU  14          HD21      LEU  14  -6.282  -7.029   3.999
  116   HD22  LEU  14          HD22      LEU  14  -6.572  -7.400   2.300
  117   HD23  LEU  14          HD23      LEU  14  -7.528  -6.159   3.107
  118    H    SER  15           HN       SER  15  -4.702  -5.334  -1.626
  119    HA   SER  15           HA       SER  15  -2.822  -7.360  -0.975
  120    HB2  SER  15           HB2      SER  15  -4.600  -7.697  -2.652
  121    HB3  SER  15           HB1      SER  15  -3.855  -6.478  -3.682
  122    HG   SER  15           HG       SER  15  -2.925  -8.215  -4.467
  123    H    LYS  16           HN       LYS  16  -2.662  -4.497  -3.112
  124    HA   LYS  16           HA       LYS  16   0.124  -4.791  -3.540
  125    HB2  LYS  16           HB2      LYS  16   0.098  -2.490  -4.398
  126    HB3  LYS  16           HB1      LYS  16  -1.142  -3.497  -5.130
  127    HG2  LYS  16           HG2      LYS  16  -2.813  -2.466  -3.646
  128    HG3  LYS  16           HG1      LYS  16  -1.553  -1.435  -2.975
  129    HD2  LYS  16           HD2      LYS  16  -2.097  -1.495  -5.923
  130    HD3  LYS  16           HD1      LYS  16  -3.072  -0.501  -4.845
  131    HE2  LYS  16           HE2      LYS  16  -1.352   0.883  -5.724
  132    HE3  LYS  16           HE1      LYS  16  -0.952   0.558  -4.042
  133    HZ1  LYS  16           HZ1      LYS  16   0.936   0.412  -5.635
  134    HZ2  LYS  16           HZ2      LYS  16   0.210  -0.958  -6.310
  135    HZ3  LYS  16           HZ3      LYS  16   0.708  -0.974  -4.697
  136    H    ASN  17           HN       ASN  17  -1.777  -3.105  -1.107
  137    HA   ASN  17           HA       ASN  17   0.266  -1.777   0.258
  138    HB2  ASN  17           HB2      ASN  17  -2.396  -2.831   0.932
  139    HB3  ASN  17           HB1      ASN  17  -1.287  -2.776   2.298
  140   HD21  ASN  17          HD21      ASN  17  -3.714  -1.206   1.544
  141   HD22  ASN  17          HD22      ASN  17  -3.216   0.446   1.650
  142    H    TYR  18           HN       TYR  18  -0.782  -5.165   0.397
  143    HA   TYR  18           HA       TYR  18   1.090  -5.994   2.349
  144    HB2  TYR  18           HB2      TYR  18  -0.831  -7.375   1.669
  145    HB3  TYR  18           HB1      TYR  18  -0.113  -7.593   0.078
  146    HD1  TYR  18           HD1      TYR  18   1.444  -9.318  -0.312
  147    HD2  TYR  18           HD2      TYR  18   0.398  -8.297   3.682
  148    HE1  TYR  18           HE1      TYR  18   2.656 -11.294   0.504
  149    HE2  TYR  18           HE2      TYR  18   1.604 -10.271   4.509
  150    HH   TYR  18           HH       TYR  18   2.348 -12.445   3.695
  151    H    HIS  19           HN       HIS  19   1.251  -5.838  -1.171
  152    HA   HIS  19           HA       HIS  19   3.792  -7.026  -1.448
  153    HB2  HIS  19           HB2      HIS  19   2.129  -5.269  -3.220
  154    HB3  HIS  19           HB1      HIS  19   3.772  -5.697  -3.680
  155    HD1  HIS  19           HD1      HIS  19   3.845  -7.655  -5.174
  156    HD2  HIS  19           HD2      HIS  19   0.629  -7.851  -2.546
  157    HE1  HIS  19           HE1      HIS  19   2.613  -9.764  -5.766
  158    HE2  HIS  19           HE2      HIS  19   0.615  -9.810  -4.232
  159    H    LEU  20           HN       LEU  20   2.852  -3.580  -1.465
  160    HA   LEU  20           HA       LEU  20   5.410  -2.480  -1.687
  161    HB2  LEU  20           HB2      LEU  20   3.167  -1.335  -0.031
  162    HB3  LEU  20           HB1      LEU  20   4.486  -0.443  -0.748
  163    HG   LEU  20           HG       LEU  20   2.119  -1.661  -2.060
  164   HD11  LEU  20          HD11      LEU  20   1.796   0.545  -1.195
  165   HD12  LEU  20          HD12      LEU  20   1.823   0.599  -2.958
  166   HD13  LEU  20          HD13      LEU  20   3.235   1.117  -2.039
  167   HD21  LEU  20          HD21      LEU  20   4.590  -0.629  -3.436
  168   HD22  LEU  20          HD22      LEU  20   3.074  -1.030  -4.243
  169   HD23  LEU  20          HD23      LEU  20   4.008  -2.294  -3.443
  170    H    GLU  21           HN       GLU  21   3.487  -3.109   1.208
  171    HA   GLU  21           HA       GLU  21   5.311  -2.243   3.118
  172    HB2  GLU  21           HB2      GLU  21   2.814  -3.319   3.198
  173    HB3  GLU  21           HB1      GLU  21   3.762  -4.634   3.879
  174    HG2  GLU  21           HG2      GLU  21   3.739  -1.792   4.879
  175    HG3  GLU  21           HG1      GLU  21   2.857  -3.142   5.595
  176    H    ASN  22           HN       ASN  22   4.975  -5.496   1.716
  177    HA   ASN  22           HA       ASN  22   7.122  -6.611   3.217
  178    HB2  ASN  22           HB2      ASN  22   5.607  -7.486   0.776
  179    HB3  ASN  22           HB1      ASN  22   7.034  -8.371   1.306
  180   HD21  ASN  22          HD21      ASN  22   5.792 -10.199   1.731
  181   HD22  ASN  22          HD22      ASN  22   4.761 -10.305   3.115
  182    H    GLU  23           HN       GLU  23   6.877  -5.013   0.100
  183    HA   GLU  23           HA       GLU  23   9.506  -5.648  -0.782
  184    HB2  GLU  23           HB2      GLU  23   7.617  -4.896  -2.245
  185    HB3  GLU  23           HB1      GLU  23   7.794  -3.284  -1.571
  186    HG2  GLU  23           HG2      GLU  23   9.957  -3.037  -2.532
  187    HG3  GLU  23           HG1      GLU  23   9.995  -4.733  -3.017
  188    H    VAL  24           HN       VAL  24   8.110  -2.968   1.035
  189    HA   VAL  24           HA       VAL  24  10.358  -1.316   1.225
  190    HB   VAL  24           HB       VAL  24   8.187  -1.786   3.291
  191   HG11  VAL  24          HG11      VAL  24  10.177  -0.804   4.305
  192   HG12  VAL  24          HG12      VAL  24   8.855   0.362   4.239
  193   HG13  VAL  24          HG13      VAL  24  10.180   0.465   3.079
  194   HG21  VAL  24          HG21      VAL  24   8.488   0.363   1.198
  195   HG22  VAL  24          HG22      VAL  24   7.222   0.289   2.424
  196   HG23  VAL  24          HG23      VAL  24   7.316  -0.954   1.176
  197    H    ALA  25           HN       ALA  25   9.267  -3.953   3.340
  198    HA   ALA  25           HA       ALA  25  11.278  -3.779   5.266
  199    HB1  ALA  25           HB1      ALA  25   9.824  -6.265   4.359
  200    HB2  ALA  25           HB2      ALA  25   9.206  -5.093   5.522
  201    HB3  ALA  25           HB3      ALA  25  10.647  -6.038   5.903
  202    H    ARG  26           HN       ARG  26  11.192  -5.499   2.198
  203    HA   ARG  26           HA       ARG  26  13.610  -6.925   2.511
  204    HB2  ARG  26           HB2      ARG  26  12.181  -6.000   0.014
  205    HB3  ARG  26           HB1      ARG  26  13.533  -7.127   0.027
  206    HG2  ARG  26           HG2      ARG  26  12.252  -8.739   1.255
  207    HG3  ARG  26           HG1      ARG  26  10.923  -7.594   1.448
  208    HD2  ARG  26           HD2      ARG  26  10.436  -9.197  -0.315
  209    HD3  ARG  26           HD1      ARG  26  10.590  -7.570  -0.971
  210    HE   ARG  26           HE       ARG  26  13.080  -8.854  -1.140
  211   HH11  ARG  26          HH11      ARG  26   9.879  -9.027  -2.540
  212   HH12  ARG  26          HH12      ARG  26  10.434  -9.679  -4.048
  213   HH21  ARG  26          HH21      ARG  26  13.818  -9.704  -3.126
  214   HH22  ARG  26          HH22      ARG  26  12.677 -10.069  -4.379
  215    H    LEU  27           HN       LEU  27  12.898  -3.899   0.771
  216    HA   LEU  27           HA       LEU  27  15.553  -3.324   0.051
  217    HB2  LEU  27           HB2      LEU  27  13.094  -1.638   0.396
  218    HB3  LEU  27           HB1      LEU  27  14.638  -0.894   0.085
  219    HG   LEU  27           HG       LEU  27  14.751  -1.650  -2.095
  220   HD11  LEU  27          HD11      LEU  27  14.379  -4.026  -1.665
  221   HD12  LEU  27          HD12      LEU  27  13.427  -3.456  -3.035
  222   HD13  LEU  27          HD13      LEU  27  12.651  -3.723  -1.474
  223   HD21  LEU  27          HD21      LEU  27  12.558  -1.200  -3.093
  224   HD22  LEU  27          HD22      LEU  27  12.991  -0.025  -1.852
  225   HD23  LEU  27          HD23      LEU  27  11.826  -1.301  -1.492
  226    H    LYS  28           HN       LYS  28  13.636  -2.443   2.887
  227    HA   LYS  28           HA       LYS  28  15.596  -0.721   4.010
  228    HB2  LYS  28           HB2      LYS  28  13.082  -0.805   4.522
  229    HB3  LYS  28           HB1      LYS  28  13.464  -2.151   5.584
  230    HG2  LYS  28           HG2      LYS  28  13.346  -0.131   6.877
  231    HG3  LYS  28           HG1      LYS  28  15.022  -0.684   6.826
  232    HD2  LYS  28           HD2      LYS  28  15.454   0.918   4.989
  233    HD3  LYS  28           HD1      LYS  28  13.801   1.507   5.148
  234    HE2  LYS  28           HE2      LYS  28  15.957   1.620   7.251
  235    HE3  LYS  28           HE1      LYS  28  15.350   2.970   6.292
  236    HZ1  LYS  28           HZ1      LYS  28  13.800   1.391   8.274
  237    HZ2  LYS  28           HZ2      LYS  28  13.166   2.633   7.316
  238    HZ3  LYS  28           HZ3      LYS  28  14.353   2.977   8.469
  239    H    LYS  29           HN       LYS  29  15.385  -4.096   3.783
  240    HA   LYS  29           HA       LYS  29  16.931  -4.709   6.130
  241    HB2  LYS  29           HB2      LYS  29  15.378  -6.324   4.975
  242    HB3  LYS  29           HB1      LYS  29  16.525  -6.391   3.647
  243    HG2  LYS  29           HG2      LYS  29  16.847  -8.306   5.032
  244    HG3  LYS  29           HG1      LYS  29  18.237  -7.233   5.232
  245    HD2  LYS  29           HD2      LYS  29  17.550  -8.099   7.388
  246    HD3  LYS  29           HD1      LYS  29  17.232  -6.361   7.311
  247    HE2  LYS  29           HE2      LYS  29  15.370  -7.521   8.354
  248    HE3  LYS  29           HE1      LYS  29  14.874  -6.827   6.814
  249    HZ1  LYS  29           HZ1      LYS  29  15.588  -9.672   7.286
  250    HZ2  LYS  29           HZ2      LYS  29  15.124  -9.014   5.799
  251    HZ3  LYS  29           HZ3      LYS  29  14.023  -9.064   7.078
  252    H    LEU  30           HN       LEU  30  17.499  -4.035   2.756
  253    HA   LEU  30           HA       LEU  30  20.326  -4.582   2.879
  254    HB2  LEU  30           HB2      LEU  30  18.502  -3.465   0.774
  255    HB3  LEU  30           HB1      LEU  30  20.240  -3.377   0.585
  256    HG   LEU  30           HG       LEU  30  20.313  -5.874   0.814
  257   HD11  LEU  30          HD11      LEU  30  18.195  -6.219   1.951
  258   HD12  LEU  30          HD12      LEU  30  18.261  -7.132   0.446
  259   HD13  LEU  30          HD13      LEU  30  17.327  -5.639   0.530
  260   HD21  LEU  30          HD21      LEU  30  20.438  -4.774  -1.354
  261   HD22  LEU  30          HD22      LEU  30  18.677  -4.768  -1.459
  262   HD23  LEU  30          HD23      LEU  30  19.556  -6.296  -1.464
  263    H    VAL  31           HN       VAL  31  18.226  -1.754   2.925
  264    HA   VAL  31           HA       VAL  31  20.398   0.113   3.204
  265    HB   VAL  31           HB       VAL  31  17.474   0.495   3.905
  266   HG11  VAL  31          HG11      VAL  31  17.923   2.878   3.630
  267   HG12  VAL  31          HG12      VAL  31  19.622   2.527   3.312
  268   HG13  VAL  31          HG13      VAL  31  18.931   2.181   4.897
  269   HG21  VAL  31          HG21      VAL  31  17.721  -0.177   1.578
  270   HG22  VAL  31          HG22      VAL  31  18.908   1.101   1.324
  271   HG23  VAL  31          HG23      VAL  31  17.236   1.513   1.697
  272    H    GLY  32           HN       GLY  32  18.852  -2.110   5.190
  273    HA2  GLY  32           HA2      GLY  32  19.128  -0.664   7.678
  274    HA3  GLY  32           HA1      GLY  32  18.513  -2.297   7.463
  275    H    GLU  33           HN       GLU  33  20.200  -3.918   6.776
  276    HA   GLU  33           HA       GLU  33  22.032  -5.139   7.286
  277    HB2  GLU  33           HB2      GLU  33  23.147  -3.294   6.015
  278    HB3  GLU  33           HB1      GLU  33  23.454  -2.487   7.546
  279    HG2  GLU  33           HG2      GLU  33  25.427  -3.653   6.812
  280    HG3  GLU  33           HG1      GLU  33  24.794  -4.407   8.274
  281    H1   GLY   1           HT1      GLY   1 -26.791   6.252   3.669
  282    H2   GLY   1           HT2      GLY   1 -25.777   5.595   4.848
  283    H3   GLY   1           HT3      GLY   1 -26.333   4.628   3.578
  284    HA2  GLY   1           HA1      GLY   1 -25.097   5.941   1.987
  285    HA3  GLY   1           HA2      GLY   1 -24.534   6.965   3.301
  286    H    SER   2           HN       SER   2 -23.855   4.273   1.424
  287    HA   SER   2           HA       SER   2 -21.876   3.319   3.380
  288    HB2  SER   2           HB2      SER   2 -21.892   1.238   1.829
  289    HB3  SER   2           HB1      SER   2 -23.257   1.479   2.927
  290    HG   SER   2           HG       SER   2 -23.882   0.964   0.758
  291    H    MET   3           HN       MET   3 -22.379   4.495   0.137
  292    HA   MET   3           HA       MET   3 -20.097   3.571  -1.125
  293    HB2  MET   3           HB2      MET   3 -21.615   6.140  -1.555
  294    HB3  MET   3           HB1      MET   3 -20.347   5.565  -2.627
  295    HG2  MET   3           HG2      MET   3 -22.939   4.166  -2.019
  296    HG3  MET   3           HG1      MET   3 -22.531   5.016  -3.506
  297    HE1  MET   3           HE1      MET   3 -19.698   2.736  -4.981
  298    HE2  MET   3           HE2      MET   3 -19.474   4.127  -3.921
  299    HE3  MET   3           HE3      MET   3 -20.670   4.190  -5.216
  300    H    LYS   4           HN       LYS   4 -20.489   6.709   0.534
  301    HA   LYS   4           HA       LYS   4 -17.783   7.469   0.040
  302    HB2  LYS   4           HB2      LYS   4 -19.993   8.612   1.715
  303    HB3  LYS   4           HB1      LYS   4 -18.360   9.238   1.857
  304    HG2  LYS   4           HG2      LYS   4 -19.540  10.641   0.354
  305    HG3  LYS   4           HG1      LYS   4 -18.399   9.692  -0.597
  306    HD2  LYS   4           HD2      LYS   4 -20.197   8.186  -1.268
  307    HD3  LYS   4           HD1      LYS   4 -21.342   9.098  -0.284
  308    HE2  LYS   4           HE2      LYS   4 -21.543   9.748  -2.610
  309    HE3  LYS   4           HE1      LYS   4 -20.914  11.091  -1.658
  310    HZ1  LYS   4           HZ1      LYS   4 -18.680  10.507  -2.429
  311    HZ2  LYS   4           HZ2      LYS   4 -19.707  10.882  -3.716
  312    HZ3  LYS   4           HZ3      LYS   4 -19.326   9.271  -3.384
  313    H    GLN   5           HN       GLN   5 -19.090   5.314   2.206
  314    HA   GLN   5           HA       GLN   5 -17.170   5.859   4.342
  315    HB2  GLN   5           HB2      GLN   5 -19.447   3.867   4.251
  316    HB3  GLN   5           HB1      GLN   5 -18.440   4.214   5.648
  317    HG2  GLN   5           HG2      GLN   5 -20.250   6.203   4.296
  318    HG3  GLN   5           HG1      GLN   5 -20.665   5.278   5.736
  319   HE21  GLN   5          HE21      GLN   5 -20.939   7.078   7.002
  320   HE22  GLN   5          HE22      GLN   5 -19.619   8.066   7.526
  321    H    LEU   6           HN       LEU   6 -18.230   3.367   2.094
  322    HA   LEU   6           HA       LEU   6 -16.116   1.557   2.654
  323    HB2  LEU   6           HB2      LEU   6 -18.054   1.918   0.400
  324    HB3  LEU   6           HB1      LEU   6 -16.684   0.858   0.178
  325    HG   LEU   6           HG       LEU   6 -18.778  -0.325   0.797
  326   HD11  LEU   6          HD11      LEU   6 -16.516  -1.248   1.292
  327   HD12  LEU   6          HD12      LEU   6 -17.788  -1.828   2.364
  328   HD13  LEU   6          HD13      LEU   6 -16.660  -0.600   2.926
  329   HD21  LEU   6          HD21      LEU   6 -19.741   1.338   2.291
  330   HD22  LEU   6          HD22      LEU   6 -18.436   1.077   3.447
  331   HD23  LEU   6          HD23      LEU   6 -19.581  -0.219   3.102
  332    H    GLU   7           HN       GLU   7 -16.619   4.093   0.216
  333    HA   GLU   7           HA       GLU   7 -14.114   3.874  -1.036
  334    HB2  GLU   7           HB2      GLU   7 -15.982   6.218  -0.717
  335    HB3  GLU   7           HB1      GLU   7 -14.500   6.306  -1.661
  336    HG2  GLU   7           HG2      GLU   7 -16.688   4.309  -2.177
  337    HG3  GLU   7           HG1      GLU   7 -16.586   5.879  -2.969
  338    H    ASP   8           HN       ASP   8 -15.099   5.534   1.932
  339    HA   ASP   8           HA       ASP   8 -12.729   7.005   2.331
  340    HB2  ASP   8           HB2      ASP   8 -14.889   6.015   4.095
  341    HB3  ASP   8           HB1      ASP   8 -13.356   6.379   4.881
  342    H    LYS   9           HN       LYS   9 -13.521   3.653   3.051
  343    HA   LYS   9           HA       LYS   9 -11.095   3.108   4.451
  344    HB2  LYS   9           HB2      LYS   9 -13.103   1.240   3.173
  345    HB3  LYS   9           HB1      LYS   9 -11.792   0.733   4.232
  346    HG2  LYS   9           HG2      LYS   9 -12.749   1.930   6.082
  347    HG3  LYS   9           HG1      LYS   9 -13.987   2.629   5.039
  348    HD2  LYS   9           HD2      LYS   9 -14.932   0.426   4.651
  349    HD3  LYS   9           HD1      LYS   9 -13.653  -0.313   5.619
  350    HE2  LYS   9           HE2      LYS   9 -15.718  -0.092   6.901
  351    HE3  LYS   9           HE1      LYS   9 -14.429   0.894   7.586
  352    HZ1  LYS   9           HZ1      LYS   9 -16.456   2.144   7.554
  353    HZ2  LYS   9           HZ2      LYS   9 -16.682   1.848   5.907
  354    HZ3  LYS   9           HZ3      LYS   9 -15.399   2.822   6.421
  355    H    VAL  10           HN       VAL  10 -12.188   2.677   1.117
  356    HA   VAL  10           HA       VAL  10  -9.960   1.241   0.176
  357    HB   VAL  10           HB       VAL  10 -11.433   3.262  -1.501
  358   HG11  VAL  10          HG11      VAL  10  -9.521   2.220  -2.543
  359   HG12  VAL  10          HG12      VAL  10 -11.005   1.630  -3.289
  360   HG13  VAL  10          HG13      VAL  10 -10.139   0.619  -2.130
  361   HG21  VAL  10          HG21      VAL  10 -12.359   0.438  -1.094
  362   HG22  VAL  10          HG22      VAL  10 -13.176   1.738  -1.960
  363   HG23  VAL  10          HG23      VAL  10 -13.030   1.802  -0.203
  364    H    GLU  11           HN       GLU  11 -10.635   4.738   0.190
  365    HA   GLU  11           HA       GLU  11  -8.124   5.486  -0.923
  366    HB2  GLU  11           HB2      GLU  11 -10.112   7.093   0.697
  367    HB3  GLU  11           HB1      GLU  11  -8.739   7.775  -0.161
  368    HG2  GLU  11           HG2      GLU  11  -9.660   7.029  -2.274
  369    HG3  GLU  11           HG1      GLU  11 -11.014   6.274  -1.432
  370    H    GLU  12           HN       GLU  12  -9.133   4.652   2.256
  371    HA   GLU  12           HA       GLU  12  -7.101   5.956   3.738
  372    HB2  GLU  12           HB2      GLU  12  -9.120   5.076   4.805
  373    HB3  GLU  12           HB1      GLU  12  -8.678   3.443   4.337
  374    HG2  GLU  12           HG2      GLU  12  -6.728   3.538   5.779
  375    HG3  GLU  12           HG1      GLU  12  -7.129   5.195   6.228
  376    H    LEU  13           HN       LEU  13  -7.450   2.663   2.464
  377    HA   LEU  13           HA       LEU  13  -4.787   1.891   3.065
  378    HB2  LEU  13           HB2      LEU  13  -6.743   0.791   1.048
  379    HB3  LEU  13           HB1      LEU  13  -5.215   0.038   1.461
  380    HG   LEU  13           HG       LEU  13  -7.593   0.413   3.279
  381   HD11  LEU  13          HD11      LEU  13  -6.250  -2.062   2.213
  382   HD12  LEU  13          HD12      LEU  13  -7.785  -1.400   1.652
  383   HD13  LEU  13          HD13      LEU  13  -7.637  -2.013   3.300
  384   HD21  LEU  13          HD21      LEU  13  -4.869  -0.730   3.892
  385   HD22  LEU  13          HD22      LEU  13  -6.276  -0.815   4.953
  386   HD23  LEU  13          HD23      LEU  13  -5.561   0.748   4.562
  387    H    LEU  14           HN       LEU  14  -6.326   3.534   0.425
  388    HA   LEU  14           HA       LEU  14  -4.284   3.449  -1.496
  389    HB2  LEU  14           HB2      LEU  14  -6.654   4.311  -1.746
  390    HB3  LEU  14           HB1      LEU  14  -6.125   5.766  -0.933
  391    HG   LEU  14           HG       LEU  14  -4.412   6.043  -2.786
  392   HD11  LEU  14          HD11      LEU  14  -4.515   3.736  -3.626
  393   HD12  LEU  14          HD12      LEU  14  -4.856   4.923  -4.885
  394   HD13  LEU  14          HD13      LEU  14  -6.177   4.017  -4.146
  395   HD21  LEU  14          HD21      LEU  14  -6.054   7.020  -4.319
  396   HD22  LEU  14          HD22      LEU  14  -6.420   7.405  -2.638
  397   HD23  LEU  14          HD23      LEU  14  -7.345   6.162  -3.479
  398    H    SER  15           HN       SER  15  -4.724   5.355   1.376
  399    HA   SER  15           HA       SER  15  -2.800   7.354   0.786
  400    HB2  SER  15           HB2      SER  15  -4.653   7.714   2.384
  401    HB3  SER  15           HB1      SER  15  -3.936   6.523   3.469
  402    HG   SER  15           HG       SER  15  -2.999   8.260   4.241
  403    H    LYS  16           HN       LYS  16  -2.752   4.508   2.951
  404    HA   LYS  16           HA       LYS  16   0.016   4.787   3.497
  405    HB2  LYS  16           HB2      LYS  16  -0.060   2.493   4.365
  406    HB3  LYS  16           HB1      LYS  16  -1.323   3.511   5.038
  407    HG2  LYS  16           HG2      LYS  16  -2.937   2.480   3.492
  408    HG3  LYS  16           HG1      LYS  16  -1.657   1.438   2.880
  409    HD2  LYS  16           HD2      LYS  16  -2.324   1.521   5.803
  410    HD3  LYS  16           HD1      LYS  16  -3.260   0.527   4.691
  411    HE2  LYS  16           HE2      LYS  16  -1.593  -0.867   5.648
  412    HE3  LYS  16           HE1      LYS  16  -1.111  -0.550   3.985
  413    HZ1  LYS  16           HZ1      LYS  16   0.705  -0.410   5.663
  414    HZ2  LYS  16           HZ2      LYS  16  -0.046   0.962   6.304
  415    HZ3  LYS  16           HZ3      LYS  16   0.526   0.976   4.716
  416    H    ASN  17           HN       ASN  17  -1.790   3.098   0.995
  417    HA   ASN  17           HA       ASN  17   0.295   1.745  -0.273
  418    HB2  ASN  17           HB2      ASN  17  -2.324   2.821  -1.063
  419    HB3  ASN  17           HB1      ASN  17  -1.160   2.746  -2.382
  420   HD21  ASN  17          HD21      ASN  17  -3.632   1.201  -1.720
  421   HD22  ASN  17          HD22      ASN  17  -3.145  -0.454  -1.795
  422    H    TYR  18           HN       TYR  18  -0.724   5.138  -0.482
  423    HA   TYR  18           HA       TYR  18   1.234   5.943  -2.358
  424    HB2  TYR  18           HB2      TYR  18  -0.703   7.344  -1.765
  425    HB3  TYR  18           HB1      TYR  18  -0.052   7.561  -0.145
  426    HD1  TYR  18           HD1      TYR  18   1.494   9.288   0.306
  427    HD2  TYR  18           HD2      TYR  18   0.625   8.239  -3.724
  428    HE1  TYR  18           HE1      TYR  18   2.751  11.255  -0.473
  429    HE2  TYR  18           HE2      TYR  18   1.873  10.203  -4.508
  430    HH   TYR  18           HH       TYR  18   2.610  12.359  -3.708
  431    H    HIS  19           HN       HIS  19   1.251   5.807   1.170
  432    HA   HIS  19           HA       HIS  19   3.790   6.980   1.541
  433    HB2  HIS  19           HB2      HIS  19   2.047   5.246   3.258
  434    HB3  HIS  19           HB1      HIS  19   3.672   5.671   3.781
  435    HD1  HIS  19           HD1      HIS  19   3.699   7.633   5.257
  436    HD2  HIS  19           HD2      HIS  19   0.582   7.828   2.517
  437    HE1  HIS  19           HE1      HIS  19   2.460   9.753   5.791
  438    HE2  HIS  19           HE2      HIS  19   0.531   9.812   4.177
  439    H    LEU  20           HN       LEU  20   2.823   3.544   1.542
  440    HA   LEU  20           HA       LEU  20   5.359   2.425   1.879
  441    HB2  LEU  20           HB2      LEU  20   3.178   1.288   0.137
  442    HB3  LEU  20           HB1      LEU  20   4.460   0.389   0.911
  443    HG   LEU  20           HG       LEU  20   2.046   1.629   2.116
  444   HD11  LEU  20          HD11      LEU  20   1.747  -0.582   1.255
  445   HD12  LEU  20          HD12      LEU  20   1.700  -0.620   3.018
  446   HD13  LEU  20          HD13      LEU  20   3.147  -1.154   2.161
  447   HD21  LEU  20          HD21      LEU  20   4.450   0.592   3.603
  448   HD22  LEU  20          HD22      LEU  20   2.903   1.016   4.336
  449   HD23  LEU  20          HD23      LEU  20   3.884   2.263   3.567
  450    H    GLU  21           HN       GLU  21   3.562   3.048  -1.099
  451    HA   GLU  21           HA       GLU  21   5.459   2.157  -2.923
  452    HB2  GLU  21           HB2      GLU  21   2.975   3.252  -3.119
  453    HB3  GLU  21           HB1      GLU  21   3.962   4.556  -3.760
  454    HG2  GLU  21           HG2      GLU  21   3.962   1.712  -4.753
  455    HG3  GLU  21           HG1      GLU  21   3.123   3.067  -5.510
  456    H    ASN  22           HN       ASN  22   5.087   5.416  -1.552
  457    HA   ASN  22           HA       ASN  22   7.296   6.511  -2.972
  458    HB2  ASN  22           HB2      ASN  22   5.691   7.413  -0.598
  459    HB3  ASN  22           HB1      ASN  22   7.143   8.286  -1.076
  460   HD21  ASN  22          HD21      ASN  22   5.950  10.121  -1.572
  461   HD22  ASN  22          HD22      ASN  22   4.975  10.227  -2.997
  462    H    GLU  23           HN       GLU  23   6.919   4.936   0.139
  463    HA   GLU  23           HA       GLU  23   9.512   5.560   1.126
  464    HB2  GLU  23           HB2      GLU  23   7.561   4.833   2.513
  465    HB3  GLU  23           HB1      GLU  23   7.751   3.216   1.858
  466    HG2  GLU  23           HG2      GLU  23   9.869   2.953   2.910
  467    HG3  GLU  23           HG1      GLU  23   9.906   4.653   3.382
  468    H    VAL  24           HN       VAL  24   8.174   2.881  -0.733
  469    HA   VAL  24           HA       VAL  24  10.416   1.210  -0.817
  470    HB   VAL  24           HB       VAL  24   8.337   1.685  -2.973
  471   HG11  VAL  24          HG11      VAL  24  10.358   0.684  -3.903
  472   HG12  VAL  24          HG12      VAL  24   9.026  -0.474  -3.884
  473   HG13  VAL  24          HG13      VAL  24  10.304  -0.578  -2.672
  474   HG21  VAL  24          HG21      VAL  24   8.533  -0.458  -0.860
  475   HG22  VAL  24          HG22      VAL  24   7.321  -0.380  -2.139
  476   HG23  VAL  24          HG23      VAL  24   7.371   0.868  -0.893
  477    H    ALA  25           HN       ALA  25   9.434   3.840  -2.993
  478    HA   ALA  25           HA       ALA  25  11.521   3.640  -4.830
  479    HB1  ALA  25           HB1      ALA  25  10.052   6.141  -4.002
  480    HB2  ALA  25           HB2      ALA  25   9.473   4.966  -5.181
  481    HB3  ALA  25           HB3      ALA  25  10.935   5.896  -5.510
  482    H    ARG  26           HN       ARG  26  11.320   5.377  -1.779
  483    HA   ARG  26           HA       ARG  26  13.758   6.787  -2.002
  484    HB2  ARG  26           HB2      ARG  26  12.222   5.891   0.441
  485    HB3  ARG  26           HB1      ARG  26  13.578   7.009   0.474
  486    HG2  ARG  26           HG2      ARG  26  12.356   8.620  -0.817
  487    HG3  ARG  26           HG1      ARG  26  11.031   7.481  -1.055
  488    HD2  ARG  26           HD2      ARG  26  10.483   9.104   0.674
  489    HD3  ARG  26           HD1      ARG  26  10.598   7.479   1.347
  490    HE   ARG  26           HE       ARG  26  13.088   8.746   1.610
  491   HH11  ARG  26          HH11      ARG  26   9.833   8.940   2.878
  492   HH12  ARG  26          HH12      ARG  26  10.330   9.595   4.406
  493   HH21  ARG  26          HH21      ARG  26  13.746   9.614   3.619
  494   HH22  ARG  26          HH22      ARG  26  12.555   9.986   4.821
  495    H    LEU  27           HN       LEU  27  12.953   3.778  -0.273
  496    HA   LEU  27           HA       LEU  27  15.571   3.189   0.562
  497    HB2  LEU  27           HB2      LEU  27  13.115   1.523   0.123
  498    HB3  LEU  27           HB1      LEU  27  14.639   0.766   0.499
  499    HG   LEU  27           HG       LEU  27  14.669   1.531   2.679
  500   HD11  LEU  27          HD11      LEU  27  14.336   3.909   2.220
  501   HD12  LEU  27          HD12      LEU  27  13.326   3.356   3.555
  502   HD13  LEU  27          HD13      LEU  27  12.616   3.619   1.962
  503   HD21  LEU  27          HD21      LEU  27  12.433   1.105   3.590
  504   HD22  LEU  27          HD22      LEU  27  12.907  -0.079   2.372
  505   HD23  LEU  27          HD23      LEU  27  11.768   1.204   1.959
  506    H    LYS  28           HN       LYS  28  13.769   2.308  -2.349
  507    HA   LYS  28           HA       LYS  28  15.762   0.562  -3.376
  508    HB2  LYS  28           HB2      LYS  28  13.272   0.657  -3.995
  509    HB3  LYS  28           HB1      LYS  28  13.706   1.996  -5.051
  510    HG2  LYS  28           HG2      LYS  28  13.629  -0.035  -6.333
  511    HG3  LYS  28           HG1      LYS  28  15.303   0.512  -6.215
  512    HD2  LYS  28           HD2      LYS  28  15.651  -1.080  -4.354
  513    HD3  LYS  28           HD1      LYS  28  14.002  -1.662  -4.576
  514    HE2  LYS  28           HE2      LYS  28  16.241  -1.800  -6.588
  515    HE3  LYS  28           HE1      LYS  28  15.590  -3.141  -5.649
  516    HZ1  LYS  28           HZ1      LYS  28  14.136  -1.569  -7.704
  517    HZ2  LYS  28           HZ2      LYS  28  13.451  -2.789  -6.759
  518    HZ3  LYS  28           HZ3      LYS  28  14.676  -3.163  -7.858
  519    H    LYS  29           HN       LYS  29  15.565   3.940  -3.181
  520    HA   LYS  29           HA       LYS  29  17.213   4.526  -5.464
  521    HB2  LYS  29           HB2      LYS  29  15.624   6.161  -4.380
  522    HB3  LYS  29           HB1      LYS  29  16.721   6.229  -3.012
  523    HG2  LYS  29           HG2      LYS  29  17.109   8.133  -4.399
  524    HG3  LYS  29           HG1      LYS  29  18.499   7.048  -4.531
  525    HD2  LYS  29           HD2      LYS  29  17.907   7.905  -6.722
  526    HD3  LYS  29           HD1      LYS  29  17.578   6.168  -6.645
  527    HE2  LYS  29           HE2      LYS  29  15.767   7.333  -7.773
  528    HE3  LYS  29           HE1      LYS  29  15.202   6.647  -6.253
  529    HZ1  LYS  29           HZ1      LYS  29  15.938   9.487  -6.709
  530    HZ2  LYS  29           HZ2      LYS  29  15.416   8.841  -5.239
  531    HZ3  LYS  29           HZ3      LYS  29  14.367   8.882  -6.564
  532    H    LEU  30           HN       LEU  30  17.633   3.876  -2.062
  533    HA   LEU  30           HA       LEU  30  20.467   4.396  -2.071
  534    HB2  LEU  30           HB2      LEU  30  18.550   3.307  -0.037
  535    HB3  LEU  30           HB1      LEU  30  20.280   3.206   0.222
  536    HG   LEU  30           HG       LEU  30  20.385   5.702  -0.018
  537   HD11  LEU  30          HD11      LEU  30  18.316   6.055  -1.246
  538   HD12  LEU  30          HD12      LEU  30  18.329   6.979   0.258
  539   HD13  LEU  30          HD13      LEU  30  17.387   5.492   0.145
  540   HD21  LEU  30          HD21      LEU  30  20.409   4.614   2.158
  541   HD22  LEU  30          HD22      LEU  30  18.645   4.621   2.190
  542   HD23  LEU  30          HD23      LEU  30  19.534   6.144   2.225
  543    H    VAL  31           HN       VAL  31  18.351   1.586  -2.192
  544    HA   VAL  31           HA       VAL  31  20.519  -0.301  -2.372
  545    HB   VAL  31           HB       VAL  31  17.622  -0.664  -3.189
  546   HG11  VAL  31          HG11      VAL  31  18.044  -3.047  -2.883
  547   HG12  VAL  31          HG12      VAL  31  19.730  -2.705  -2.497
  548   HG13  VAL  31          HG13      VAL  31  19.110  -2.365  -4.111
  549   HG21  VAL  31          HG21      VAL  31  17.779   0.019  -0.858
  550   HG22  VAL  31          HG22      VAL  31  18.946  -1.268  -0.549
  551   HG23  VAL  31          HG23      VAL  31  17.287  -1.670  -0.989
  552    H    GLY  32           HN       GLY  32  19.078   1.929  -4.427
  553    HA2  GLY  32           HA2      GLY  32  19.443   0.459  -6.893
  554    HA3  GLY  32           HA1      GLY  32  18.825   2.096  -6.716
  555    H    GLU  33           HN       GLU  33  20.496   3.718  -5.973
  556    HA   GLU  33           HA       GLU  33  22.357   4.919  -6.418
  557    HB2  GLU  33           HB2      GLU  33  23.396   3.067  -5.088
  558    HB3  GLU  33           HB1      GLU  33  23.765   2.251  -6.599
  559    HG2  GLU  33           HG2      GLU  33  25.712   3.400  -5.788
  560    HG3  GLU  33           HG1      GLU  33  25.150   4.159  -7.275
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -25.414  -4.913  -7.321
    2    H2   GLY   1           HT2      GLY   1 -23.857  -4.387  -7.714
    3    H3   GLY   1           HT3      GLY   1 -25.059  -3.261  -7.345
    4    HA2  GLY   1           HA1      GLY   1 -25.171  -4.045  -5.081
    5    HA3  GLY   1           HA2      GLY   1 -23.949  -5.254  -5.456
    6    H    SER   2           HN       SER   2 -23.453  -3.574  -3.398
    7    HA   SER   2           HA       SER   2 -21.422  -1.772  -4.529
    8    HB2  SER   2           HB2      SER   2 -21.820  -0.383  -2.409
    9    HB3  SER   2           HB1      SER   2 -23.061  -0.307  -3.663
   10    HG   SER   2           HG       SER   2 -23.971  -0.615  -1.590
   11    H    MET   3           HN       MET   3 -22.374  -3.443  -1.546
   12    HA   MET   3           HA       MET   3 -20.134  -3.042  -0.047
   13    HB2  MET   3           HB2      MET   3 -21.876  -5.501  -0.101
   14    HB3  MET   3           HB1      MET   3 -20.728  -5.120   1.174
   15    HG2  MET   3           HG2      MET   3 -23.129  -3.478   0.408
   16    HG3  MET   3           HG1      MET   3 -22.993  -4.530   1.814
   17    HE1  MET   3           HE1      MET   3 -21.305  -4.108   3.803
   18    HE2  MET   3           HE2      MET   3 -20.272  -2.686   3.946
   19    HE3  MET   3           HE3      MET   3 -19.932  -3.901   2.715
   20    H    LYS   4           HN       LYS   4 -20.634  -5.957  -2.081
   21    HA   LYS   4           HA       LYS   4 -18.124  -7.058  -1.355
   22    HB2  LYS   4           HB2      LYS   4 -20.043  -7.716  -3.581
   23    HB3  LYS   4           HB1      LYS   4 -18.567  -8.626  -3.293
   24    HG2  LYS   4           HG2      LYS   4 -20.758  -8.256  -1.262
   25    HG3  LYS   4           HG1      LYS   4 -20.587  -9.665  -2.313
   26    HD2  LYS   4           HD2      LYS   4 -18.393 -10.127  -1.347
   27    HD3  LYS   4           HD1      LYS   4 -18.539  -8.705  -0.313
   28    HE2  LYS   4           HE2      LYS   4 -20.406 -11.072  -0.265
   29    HE3  LYS   4           HE1      LYS   4 -19.062 -10.829   0.848
   30    HZ1  LYS   4           HZ1      LYS   4 -20.114  -8.782   1.601
   31    HZ2  LYS   4           HZ2      LYS   4 -21.137 -10.106   1.824
   32    HZ3  LYS   4           HZ3      LYS   4 -21.411  -9.038   0.545
   33    H    GLN   5           HN       GLN   5 -18.991  -4.767  -3.750
   34    HA   GLN   5           HA       GLN   5 -16.692  -5.324  -5.431
   35    HB2  GLN   5           HB2      GLN   5 -18.977  -3.366  -5.675
   36    HB3  GLN   5           HB1      GLN   5 -17.589  -3.327  -6.751
   37    HG2  GLN   5           HG2      GLN   5 -19.303  -4.509  -7.866
   38    HG3  GLN   5           HG1      GLN   5 -18.102  -5.695  -7.365
   39   HE21  GLN   5          HE21      GLN   5 -20.473  -4.218  -5.248
   40   HE22  GLN   5          HE22      GLN   5 -21.371  -5.664  -4.945
   41    H    LEU   6           HN       LEU   6 -17.997  -2.773  -3.384
   42    HA   LEU   6           HA       LEU   6 -15.772  -1.058  -3.469
   43    HB2  LEU   6           HB2      LEU   6 -18.038  -1.510  -1.575
   44    HB3  LEU   6           HB1      LEU   6 -16.675  -0.572  -1.018
   45    HG   LEU   6           HG       LEU   6 -18.597   0.784  -1.854
   46   HD11  LEU   6          HD11      LEU   6 -16.071   1.164  -3.459
   47   HD12  LEU   6          HD12      LEU   6 -16.278   1.653  -1.778
   48   HD13  LEU   6          HD13      LEU   6 -17.266   2.389  -3.040
   49   HD21  LEU   6          HD21      LEU   6 -19.303  -0.645  -3.689
   50   HD22  LEU   6          HD22      LEU   6 -17.785  -0.340  -4.532
   51   HD23  LEU   6          HD23      LEU   6 -18.928   0.977  -4.272
   52    H    GLU   7           HN       GLU   7 -16.693  -3.655  -1.230
   53    HA   GLU   7           HA       GLU   7 -14.380  -3.665   0.337
   54    HB2  GLU   7           HB2      GLU   7 -16.455  -4.921   0.867
   55    HB3  GLU   7           HB1      GLU   7 -16.085  -6.043  -0.434
   56    HG2  GLU   7           HG2      GLU   7 -15.471  -7.011   1.674
   57    HG3  GLU   7           HG1      GLU   7 -14.019  -6.681   0.732
   58    H    ASP   8           HN       ASP   8 -15.084  -5.203  -2.788
   59    HA   ASP   8           HA       ASP   8 -12.700  -6.690  -2.997
   60    HB2  ASP   8           HB2      ASP   8 -14.608  -5.562  -4.985
   61    HB3  ASP   8           HB1      ASP   8 -13.027  -6.064  -5.570
   62    H    LYS   9           HN       LYS   9 -13.384  -3.333  -3.911
   63    HA   LYS   9           HA       LYS   9 -10.860  -2.750  -5.000
   64    HB2  LYS   9           HB2      LYS   9 -12.813  -0.893  -3.630
   65    HB3  LYS   9           HB1      LYS   9 -11.453  -0.379  -4.616
   66    HG2  LYS   9           HG2      LYS   9 -13.835  -1.963  -5.555
   67    HG3  LYS   9           HG1      LYS   9 -13.515  -0.258  -5.875
   68    HD2  LYS   9           HD2      LYS   9 -11.472  -0.885  -7.088
   69    HD3  LYS   9           HD1      LYS   9 -11.824  -2.586  -6.785
   70    HE2  LYS   9           HE2      LYS   9 -12.528  -2.003  -9.015
   71    HE3  LYS   9           HE1      LYS   9 -13.941  -2.338  -8.018
   72    HZ1  LYS   9           HZ1      LYS   9 -14.211  -0.365  -9.418
   73    HZ2  LYS   9           HZ2      LYS   9 -12.910   0.374  -8.634
   74    HZ3  LYS   9           HZ3      LYS   9 -14.318   0.009  -7.773
   75    H    VAL  10           HN       VAL  10 -12.104  -2.394  -1.704
   76    HA   VAL  10           HA       VAL  10  -9.883  -1.150  -0.546
   77    HB   VAL  10           HB       VAL  10 -11.517  -3.215   0.914
   78   HG11  VAL  10          HG11      VAL  10  -9.642  -2.238   2.113
   79   HG12  VAL  10          HG12      VAL  10 -11.177  -1.733   2.821
   80   HG13  VAL  10          HG13      VAL  10 -10.273  -0.620   1.790
   81   HG21  VAL  10          HG21      VAL  10 -13.012  -1.675  -0.392
   82   HG22  VAL  10          HG22      VAL  10 -12.362  -0.356   0.586
   83   HG23  VAL  10          HG23      VAL  10 -13.248  -1.669   1.355
   84    H    GLU  11           HN       GLU  11 -10.676  -4.592  -0.867
   85    HA   GLU  11           HA       GLU  11  -8.366  -5.513   0.527
   86    HB2  GLU  11           HB2      GLU  11 -10.397  -6.843   0.410
   87    HB3  GLU  11           HB1      GLU  11 -10.303  -6.918  -1.339
   88    HG2  GLU  11           HG2      GLU  11  -9.610  -9.016  -0.440
   89    HG3  GLU  11           HG1      GLU  11  -8.204  -8.207  -1.128
   90    H    GLU  12           HN       GLU  12  -9.026  -4.830  -2.871
   91    HA   GLU  12           HA       GLU  12  -6.797  -6.177  -3.962
   92    HB2  GLU  12           HB2      GLU  12  -8.352  -3.780  -4.929
   93    HB3  GLU  12           HB1      GLU  12  -7.036  -4.495  -5.850
   94    HG2  GLU  12           HG2      GLU  12  -8.240  -6.604  -5.960
   95    HG3  GLU  12           HG1      GLU  12  -9.550  -5.914  -5.003
   96    H    LEU  13           HN       LEU  13  -7.252  -2.833  -2.879
   97    HA   LEU  13           HA       LEU  13  -4.565  -2.037  -3.265
   98    HB2  LEU  13           HB2      LEU  13  -6.600  -1.017  -1.282
   99    HB3  LEU  13           HB1      LEU  13  -5.097  -0.214  -1.696
  100    HG   LEU  13           HG       LEU  13  -7.404  -0.702  -3.577
  101   HD11  LEU  13          HD11      LEU  13  -6.384   1.820  -2.290
  102   HD12  LEU  13          HD12      LEU  13  -7.879   0.979  -1.884
  103   HD13  LEU  13          HD13      LEU  13  -7.685   1.714  -3.475
  104   HD21  LEU  13          HD21      LEU  13  -4.819   0.796  -3.994
  105   HD22  LEU  13          HD22      LEU  13  -6.161   0.708  -5.136
  106   HD23  LEU  13          HD23      LEU  13  -5.250  -0.747  -4.733
  107    H    LEU  14           HN       LEU  14  -6.309  -3.559  -0.649
  108    HA   LEU  14           HA       LEU  14  -4.345  -3.483   1.345
  109    HB2  LEU  14           HB2      LEU  14  -6.845  -4.256   1.376
  110    HB3  LEU  14           HB1      LEU  14  -6.172  -5.826   0.987
  111    HG   LEU  14           HG       LEU  14  -4.750  -5.663   3.038
  112   HD11  LEU  14          HD11      LEU  14  -5.336  -4.014   4.714
  113   HD12  LEU  14          HD12      LEU  14  -6.528  -3.312   3.621
  114   HD13  LEU  14          HD13      LEU  14  -4.807  -3.214   3.230
  115   HD21  LEU  14          HD21      LEU  14  -6.833  -6.944   3.014
  116   HD22  LEU  14          HD22      LEU  14  -7.730  -5.493   3.462
  117   HD23  LEU  14          HD23      LEU  14  -6.561  -6.187   4.583
  118    H    SER  15           HN       SER  15  -4.785  -5.539  -1.408
  119    HA   SER  15           HA       SER  15  -3.030  -7.614  -0.566
  120    HB2  SER  15           HB2      SER  15  -4.928  -7.806  -2.271
  121    HB3  SER  15           HB1      SER  15  -3.842  -7.018  -3.415
  122    HG   SER  15           HG       SER  15  -3.119  -9.350  -1.972
  123    H    LYS  16           HN       LYS  16  -2.725  -4.711  -2.588
  124    HA   LYS  16           HA       LYS  16   0.056  -5.313  -3.037
  125    HB2  LYS  16           HB2      LYS  16   0.236  -3.336  -4.308
  126    HB3  LYS  16           HB1      LYS  16  -1.305  -4.058  -4.727
  127    HG2  LYS  16           HG2      LYS  16  -2.420  -2.425  -3.232
  128    HG3  LYS  16           HG1      LYS  16  -0.848  -1.663  -2.962
  129    HD2  LYS  16           HD2      LYS  16  -0.672  -1.433  -5.475
  130    HD3  LYS  16           HD1      LYS  16  -2.362  -1.917  -5.554
  131    HE2  LYS  16           HE2      LYS  16  -2.908   0.004  -4.061
  132    HE3  LYS  16           HE1      LYS  16  -1.222   0.520  -4.187
  133    HZ1  LYS  16           HZ1      LYS  16  -2.664   1.683  -5.762
  134    HZ2  LYS  16           HZ2      LYS  16  -3.091   0.212  -6.480
  135    HZ3  LYS  16           HZ3      LYS  16  -1.495   0.760  -6.561
  136    H    ASN  17           HN       ASN  17  -1.851  -3.331  -0.819
  137    HA   ASN  17           HA       ASN  17   0.150  -2.035   0.626
  138    HB2  ASN  17           HB2      ASN  17  -2.300  -3.561   1.583
  139    HB3  ASN  17           HB1      ASN  17  -1.211  -2.778   2.711
  140   HD21  ASN  17          HD21      ASN  17  -0.696  -0.430   1.256
  141   HD22  ASN  17          HD22      ASN  17  -2.168   0.472   1.191
  142    H    TYR  18           HN       TYR  18  -0.927  -5.413   0.760
  143    HA   TYR  18           HA       TYR  18   0.801  -6.279   2.795
  144    HB2  TYR  18           HB2      TYR  18  -1.132  -7.579   1.990
  145    HB3  TYR  18           HB1      TYR  18  -0.302  -7.868   0.466
  146    HD1  TYR  18           HD1      TYR  18   1.275  -9.627   0.251
  147    HD2  TYR  18           HD2      TYR  18  -0.207  -8.576   4.097
  148    HE1  TYR  18           HE1      TYR  18   2.290 -11.659   1.191
  149    HE2  TYR  18           HE2      TYR  18   0.805 -10.605   5.047
  150    HH   TYR  18           HH       TYR  18   1.521 -12.829   4.274
  151    H    HIS  19           HN       HIS  19   1.191  -6.780  -0.721
  152    HA   HIS  19           HA       HIS  19   3.775  -7.894  -0.447
  153    HB2  HIS  19           HB2      HIS  19   2.265  -6.826  -2.820
  154    HB3  HIS  19           HB1      HIS  19   3.904  -7.450  -2.965
  155    HD1  HIS  19           HD1      HIS  19   4.228  -9.978  -2.842
  156    HD2  HIS  19           HD2      HIS  19   0.295  -8.778  -2.230
  157    HE1  HIS  19           HE1      HIS  19   2.854 -12.081  -2.937
  158    HE2  HIS  19           HE2      HIS  19   0.517 -11.351  -2.353
  159    H    LEU  20           HN       LEU  20   2.699  -4.624  -1.264
  160    HA   LEU  20           HA       LEU  20   5.261  -3.594  -1.806
  161    HB2  LEU  20           HB2      LEU  20   3.505  -2.426  -2.751
  162    HB3  LEU  20           HB1      LEU  20   2.521  -2.535  -1.313
  163    HG   LEU  20           HG       LEU  20   3.667  -0.768  -0.288
  164   HD11  LEU  20          HD11      LEU  20   5.927  -1.319  -1.091
  165   HD12  LEU  20          HD12      LEU  20   5.533   0.392  -1.284
  166   HD13  LEU  20          HD13      LEU  20   5.484  -0.690  -2.678
  167   HD21  LEU  20          HD21      LEU  20   3.106  -0.131  -3.159
  168   HD22  LEU  20          HD22      LEU  20   3.322   1.068  -1.885
  169   HD23  LEU  20          HD23      LEU  20   1.963  -0.062  -1.815
  170    H    GLU  21           HN       GLU  21   3.376  -3.941   1.177
  171    HA   GLU  21           HA       GLU  21   5.117  -2.485   2.857
  172    HB2  GLU  21           HB2      GLU  21   2.954  -4.425   3.219
  173    HB3  GLU  21           HB1      GLU  21   4.207  -4.553   4.449
  174    HG2  GLU  21           HG2      GLU  21   3.917  -2.209   5.002
  175    HG3  GLU  21           HG1      GLU  21   2.716  -2.044   3.723
  176    H    ASN  22           HN       ASN  22   5.112  -5.867   1.800
  177    HA   ASN  22           HA       ASN  22   7.426  -6.633   3.246
  178    HB2  ASN  22           HB2      ASN  22   6.127  -7.784   0.776
  179    HB3  ASN  22           HB1      ASN  22   7.569  -8.485   1.499
  180   HD21  ASN  22          HD21      ASN  22   7.414  -9.404   3.581
  181   HD22  ASN  22          HD22      ASN  22   5.894  -9.922   4.216
  182    H    GLU  23           HN       GLU  23   6.927  -5.092   0.139
  183    HA   GLU  23           HA       GLU  23   9.509  -5.411  -0.919
  184    HB2  GLU  23           HB2      GLU  23   7.578  -3.115  -1.302
  185    HB3  GLU  23           HB1      GLU  23   9.007  -3.403  -2.284
  186    HG2  GLU  23           HG2      GLU  23   6.634  -5.236  -2.044
  187    HG3  GLU  23           HG1      GLU  23   6.984  -4.160  -3.395
  188    H    VAL  24           HN       VAL  24   8.144  -2.761   1.047
  189    HA   VAL  24           HA       VAL  24  10.526  -1.288   1.250
  190    HB   VAL  24           HB       VAL  24   8.121  -1.418   3.114
  191   HG11  VAL  24          HG11      VAL  24   9.035   0.490   4.298
  192   HG12  VAL  24          HG12      VAL  24  10.459   0.497   3.254
  193   HG13  VAL  24          HG13      VAL  24  10.197  -0.837   4.383
  194   HG21  VAL  24          HG21      VAL  24   7.812   0.881   2.260
  195   HG22  VAL  24          HG22      VAL  24   7.689  -0.367   1.023
  196   HG23  VAL  24          HG23      VAL  24   9.154   0.611   1.147
  197    H    ALA  25           HN       ALA  25   9.181  -3.879   3.255
  198    HA   ALA  25           HA       ALA  25  11.013  -3.859   5.345
  199    HB1  ALA  25           HB1      ALA  25   9.625  -6.257   4.143
  200    HB2  ALA  25           HB2      ALA  25   8.945  -5.177   5.360
  201    HB3  ALA  25           HB3      ALA  25  10.347  -6.174   5.751
  202    H    ARG  26           HN       ARG  26  11.157  -5.646   2.268
  203    HA   ARG  26           HA       ARG  26  13.599  -6.945   2.718
  204    HB2  ARG  26           HB2      ARG  26  12.335  -6.002   0.140
  205    HB3  ARG  26           HB1      ARG  26  13.776  -7.006   0.208
  206    HG2  ARG  26           HG2      ARG  26  12.471  -8.732   1.397
  207    HG3  ARG  26           HG1      ARG  26  11.029  -7.731   1.202
  208    HD2  ARG  26           HD2      ARG  26  11.226  -7.857  -1.204
  209    HD3  ARG  26           HD1      ARG  26  12.736  -8.751  -1.062
  210    HE   ARG  26           HE       ARG  26  10.222  -9.859  -0.001
  211   HH11  ARG  26          HH11      ARG  26  13.011 -10.090  -2.111
  212   HH12  ARG  26          HH12      ARG  26  12.688 -11.731  -2.568
  213   HH21  ARG  26          HH21      ARG  26   9.790 -12.021  -0.623
  214   HH22  ARG  26          HH22      ARG  26  10.867 -12.828  -1.721
  215    H    LEU  27           HN       LEU  27  12.986  -3.986   0.846
  216    HA   LEU  27           HA       LEU  27  15.612  -3.353   0.225
  217    HB2  LEU  27           HB2      LEU  27  13.138  -1.701   0.564
  218    HB3  LEU  27           HB1      LEU  27  14.671  -0.933   0.260
  219    HG   LEU  27           HG       LEU  27  14.824  -1.784  -1.920
  220   HD11  LEU  27          HD11      LEU  27  12.560  -3.671  -1.287
  221   HD12  LEU  27          HD12      LEU  27  14.258  -4.118  -1.452
  222   HD13  LEU  27          HD13      LEU  27  13.373  -3.497  -2.843
  223   HD21  LEU  27          HD21      LEU  27  12.613  -1.232  -2.910
  224   HD22  LEU  27          HD22      LEU  27  13.236  -0.023  -1.791
  225   HD23  LEU  27          HD23      LEU  27  11.965  -1.132  -1.275
  226    H    LYS  28           HN       LYS  28  13.734  -2.526   3.088
  227    HA   LYS  28           HA       LYS  28  15.411  -0.602   4.206
  228    HB2  LYS  28           HB2      LYS  28  13.033  -1.572   4.895
  229    HB3  LYS  28           HB1      LYS  28  14.007  -2.541   5.992
  230    HG2  LYS  28           HG2      LYS  28  13.253  -0.594   7.149
  231    HG3  LYS  28           HG1      LYS  28  14.993  -0.444   6.883
  232    HD2  LYS  28           HD2      LYS  28  14.581   1.002   4.962
  233    HD3  LYS  28           HD1      LYS  28  12.843   0.821   5.192
  234    HE2  LYS  28           HE2      LYS  28  13.651   2.936   6.071
  235    HE3  LYS  28           HE1      LYS  28  12.996   1.913   7.351
  236    HZ1  LYS  28           HZ1      LYS  28  15.020   2.913   8.092
  237    HZ2  LYS  28           HZ2      LYS  28  15.858   2.371   6.730
  238    HZ3  LYS  28           HZ3      LYS  28  15.305   1.255   7.879
  239    H    LYS  29           HN       LYS  29  15.467  -4.122   4.447
  240    HA   LYS  29           HA       LYS  29  17.616  -4.194   6.341
  241    HB2  LYS  29           HB2      LYS  29  15.936  -5.987   6.196
  242    HB3  LYS  29           HB1      LYS  29  16.467  -6.364   4.567
  243    HG2  LYS  29           HG2      LYS  29  18.496  -6.480   6.730
  244    HG3  LYS  29           HG1      LYS  29  17.262  -7.742   6.688
  245    HD2  LYS  29           HD2      LYS  29  18.977  -6.986   4.321
  246    HD3  LYS  29           HD1      LYS  29  19.379  -8.284   5.454
  247    HE2  LYS  29           HE2      LYS  29  16.883  -8.124   3.761
  248    HE3  LYS  29           HE1      LYS  29  18.282  -9.142   3.436
  249    HZ1  LYS  29           HZ1      LYS  29  16.522  -9.326   5.818
  250    HZ2  LYS  29           HZ2      LYS  29  17.875 -10.295   5.524
  251    HZ3  LYS  29           HZ3      LYS  29  16.528 -10.394   4.508
  252    H    LEU  30           HN       LEU  30  17.338  -4.098   2.897
  253    HA   LEU  30           HA       LEU  30  19.998  -4.969   2.316
  254    HB2  LEU  30           HB2      LEU  30  17.745  -3.819   0.748
  255    HB3  LEU  30           HB1      LEU  30  19.358  -3.697   0.073
  256    HG   LEU  30           HG       LEU  30  19.563  -6.176   0.309
  257   HD11  LEU  30          HD11      LEU  30  16.620  -6.037   0.893
  258   HD12  LEU  30          HD12      LEU  30  17.882  -6.550   2.013
  259   HD13  LEU  30          HD13      LEU  30  17.545  -7.503   0.567
  260   HD21  LEU  30          HD21      LEU  30  17.312  -5.172  -1.416
  261   HD22  LEU  30          HD22      LEU  30  18.203  -6.675  -1.652
  262   HD23  LEU  30          HD23      LEU  30  19.027  -5.124  -1.819
  263    H    VAL  31           HN       VAL  31  18.396  -1.864   2.774
  264    HA   VAL  31           HA       VAL  31  20.763  -0.314   2.327
  265    HB   VAL  31           HB       VAL  31  18.332   0.414   3.990
  266   HG11  VAL  31          HG11      VAL  31  19.018   2.733   3.556
  267   HG12  VAL  31          HG12      VAL  31  20.463   2.144   2.735
  268   HG13  VAL  31          HG13      VAL  31  20.242   1.841   4.458
  269   HG21  VAL  31          HG21      VAL  31  17.684  -0.149   1.710
  270   HG22  VAL  31          HG22      VAL  31  18.897   0.964   1.078
  271   HG23  VAL  31          HG23      VAL  31  17.525   1.583   1.998
  272    H    GLY  32           HN       GLY  32  19.410  -2.155   4.883
  273    HA2  GLY  32           HA2      GLY  32  20.583  -3.088   6.653
  274    HA3  GLY  32           HA1      GLY  32  21.893  -1.948   6.366
  275    H    GLU  33           HN       GLU  33  18.528  -1.037   6.710
  276    HA   GLU  33           HA       GLU  33  19.197   0.164   9.323
  277    HB2  GLU  33           HB2      GLU  33  17.660   1.417   7.045
  278    HB3  GLU  33           HB1      GLU  33  17.683   2.069   8.676
  279    HG2  GLU  33           HG2      GLU  33  20.130   1.668   6.972
  280    HG3  GLU  33           HG1      GLU  33  19.246   3.187   7.113
  281    H1   GLY   1           HT1      GLY   1 -25.640   5.070   6.262
  282    H2   GLY   1           HT2      GLY   1 -24.106   4.520   6.713
  283    H3   GLY   1           HT3      GLY   1 -25.312   3.411   6.299
  284    HA2  GLY   1           HA1      GLY   1 -25.325   4.193   4.031
  285    HA3  GLY   1           HA2      GLY   1 -24.110   5.391   4.451
  286    H    SER   2           HN       SER   2 -23.542   3.708   2.414
  287    HA   SER   2           HA       SER   2 -21.569   1.892   3.627
  288    HB2  SER   2           HB2      SER   2 -21.899   0.507   1.486
  289    HB3  SER   2           HB1      SER   2 -23.174   0.433   2.705
  290    HG   SER   2           HG       SER   2 -23.982   0.753   0.565
  291    H    MET   3           HN       MET   3 -22.388   3.560   0.601
  292    HA   MET   3           HA       MET   3 -20.095   3.143  -0.806
  293    HB2  MET   3           HB2      MET   3 -21.822   5.614  -0.823
  294    HB3  MET   3           HB1      MET   3 -20.624   5.227  -2.051
  295    HG2  MET   3           HG2      MET   3 -23.065   3.601  -1.382
  296    HG3  MET   3           HG1      MET   3 -22.861   4.644  -2.787
  297    HE1  MET   3           HE1      MET   3 -21.105   4.202  -4.697
  298    HE2  MET   3           HE2      MET   3 -20.077   2.773  -4.797
  299    HE3  MET   3           HE3      MET   3 -19.775   3.991  -3.560
  300    H    LYS   4           HN       LYS   4 -20.651   6.066   1.201
  301    HA   LYS   4           HA       LYS   4 -18.107   7.148   0.576
  302    HB2  LYS   4           HB2      LYS   4 -20.114   7.821   2.720
  303    HB3  LYS   4           HB1      LYS   4 -18.621   8.721   2.495
  304    HG2  LYS   4           HG2      LYS   4 -20.728   8.363   0.375
  305    HG3  LYS   4           HG1      LYS   4 -20.592   9.772   1.430
  306    HD2  LYS   4           HD2      LYS   4 -18.357  10.223   0.548
  307    HD3  LYS   4           HD1      LYS   4 -18.468   8.798  -0.484
  308    HE2  LYS   4           HE2      LYS   4 -20.320  11.172  -0.616
  309    HE3  LYS   4           HE1      LYS   4 -18.940  10.911  -1.681
  310    HZ1  LYS   4           HZ1      LYS   4 -19.978   8.862  -2.449
  311    HZ2  LYS   4           HZ2      LYS   4 -20.986  10.191  -2.719
  312    HZ3  LYS   4           HZ3      LYS   4 -21.309   9.136  -1.441
  313    H    GLN   5           HN       GLN   5 -19.089   4.870   2.934
  314    HA   GLN   5           HA       GLN   5 -16.857   5.413   4.708
  315    HB2  GLN   5           HB2      GLN   5 -19.167   3.473   4.864
  316    HB3  GLN   5           HB1      GLN   5 -17.826   3.431   5.997
  317    HG2  GLN   5           HG2      GLN   5 -19.578   4.628   7.033
  318    HG3  GLN   5           HG1      GLN   5 -18.348   5.802   6.582
  319   HE21  GLN   5          HE21      GLN   5 -20.643   4.341   4.370
  320   HE22  GLN   5          HE22      GLN   5 -21.515   5.794   4.021
  321    H    LEU   6           HN       LEU   6 -18.099   2.865   2.618
  322    HA   LEU   6           HA       LEU   6 -15.889   1.136   2.796
  323    HB2  LEU   6           HB2      LEU   6 -18.072   1.597   0.813
  324    HB3  LEU   6           HB1      LEU   6 -16.694   0.648   0.313
  325    HG   LEU   6           HG       LEU   6 -18.660  -0.689   1.073
  326   HD11  LEU   6          HD11      LEU   6 -16.205  -1.084   2.778
  327   HD12  LEU   6          HD12      LEU   6 -16.349  -1.578   1.093
  328   HD13  LEU   6          HD13      LEU   6 -17.392  -2.303   2.317
  329   HD21  LEU   6          HD21      LEU   6 -19.430   0.747   2.875
  330   HD22  LEU   6          HD22      LEU   6 -17.949   0.433   3.779
  331   HD23  LEU   6          HD23      LEU   6 -19.090  -0.877   3.474
  332    H    GLU   7           HN       GLU   7 -16.700   3.732   0.517
  333    HA   GLU   7           HA       GLU   7 -14.327   3.721  -0.958
  334    HB2  GLU   7           HB2      GLU   7 -16.372   4.989  -1.572
  335    HB3  GLU   7           HB1      GLU   7 -16.044   6.111  -0.261
  336    HG2  GLU   7           HG2      GLU   7 -15.338   7.071  -2.345
  337    HG3  GLU   7           HG1      GLU   7 -13.927   6.730  -1.347
  338    H    ASP   8           HN       ASP   8 -15.142   5.270   2.137
  339    HA   ASP   8           HA       ASP   8 -12.758   6.743   2.431
  340    HB2  ASP   8           HB2      ASP   8 -14.751   5.637   4.346
  341    HB3  ASP   8           HB1      ASP   8 -13.190   6.134   4.991
  342    H    LYS   9           HN       LYS   9 -13.504   3.397   3.334
  343    HA   LYS   9           HA       LYS   9 -11.032   2.798   4.521
  344    HB2  LYS   9           HB2      LYS   9 -12.942   0.952   3.077
  345    HB3  LYS   9           HB1      LYS   9 -11.624   0.431   4.117
  346    HG2  LYS   9           HG2      LYS   9 -14.033   2.033   4.959
  347    HG3  LYS   9           HG1      LYS   9 -13.737   0.326   5.296
  348    HD2  LYS   9           HD2      LYS   9 -11.741   0.942   6.590
  349    HD3  LYS   9           HD1      LYS   9 -12.065   2.645   6.266
  350    HE2  LYS   9           HE2      LYS   9 -12.864   2.078   8.467
  351    HE3  LYS   9           HE1      LYS   9 -14.234   2.420   7.413
  352    HZ1  LYS   9           HZ1      LYS   9 -14.576   0.455   8.810
  353    HZ2  LYS   9           HZ2      LYS   9 -13.250  -0.300   8.084
  354    HZ3  LYS   9           HZ3      LYS   9 -14.621   0.074   7.164
  355    H    VAL  10           HN       VAL  10 -12.144   2.438   1.180
  356    HA   VAL  10           HA       VAL  10  -9.885   1.177   0.114
  357    HB   VAL  10           HB       VAL  10 -11.446   3.247  -1.414
  358   HG11  VAL  10          HG11      VAL  10  -9.532   2.255  -2.535
  359   HG12  VAL  10          HG12      VAL  10 -11.042   1.761  -3.302
  360   HG13  VAL  10          HG13      VAL  10 -10.188   0.642  -2.235
  361   HG21  VAL  10          HG21      VAL  10 -13.006   1.725  -0.169
  362   HG22  VAL  10          HG22      VAL  10 -12.329   0.397  -1.114
  363   HG23  VAL  10          HG23      VAL  10 -13.170   1.715  -1.924
  364    H    GLU  11           HN       GLU  11 -10.666   4.624   0.401
  365    HA   GLU  11           HA       GLU  11  -8.299   5.522  -0.908
  366    HB2  GLU  11           HB2      GLU  11 -10.321   6.872  -0.876
  367    HB3  GLU  11           HB1      GLU  11 -10.298   6.947   0.877
  368    HG2  GLU  11           HG2      GLU  11  -9.549   9.035   0.010
  369    HG3  GLU  11           HG1      GLU  11  -8.176   8.216   0.748
  370    H    GLU  12           HN       GLU  12  -9.099   4.857   2.463
  371    HA   GLU  12           HA       GLU  12  -6.909   6.193   3.640
  372    HB2  GLU  12           HB2      GLU  12  -8.517   3.808   4.552
  373    HB3  GLU  12           HB1      GLU  12  -7.234   4.518   5.523
  374    HG2  GLU  12           HG2      GLU  12  -8.428   6.635   5.573
  375    HG3  GLU  12           HG1      GLU  12  -9.704   5.949   4.570
  376    H    LEU  13           HN       LEU  13  -7.341   2.847   2.554
  377    HA   LEU  13           HA       LEU  13  -4.678   2.034   3.044
  378    HB2  LEU  13           HB2      LEU  13  -6.641   1.023   0.986
  379    HB3  LEU  13           HB1      LEU  13  -5.161   0.211   1.461
  380    HG   LEU  13           HG       LEU  13  -7.538   0.722   3.250
  381   HD11  LEU  13          HD11      LEU  13  -6.483  -1.810   2.008
  382   HD12  LEU  13          HD12      LEU  13  -7.954  -0.960   1.538
  383   HD13  LEU  13          HD13      LEU  13  -7.831  -1.692   3.137
  384   HD21  LEU  13          HD21      LEU  13  -4.980  -0.793   3.768
  385   HD22  LEU  13          HD22      LEU  13  -6.364  -0.694   4.857
  386   HD23  LEU  13          HD23      LEU  13  -5.430   0.754   4.487
  387    H    LEU  14           HN       LEU  14  -6.302   3.566   0.361
  388    HA   LEU  14           HA       LEU  14  -4.262   3.466  -1.553
  389    HB2  LEU  14           HB2      LEU  14  -6.752   4.254  -1.692
  390    HB3  LEU  14           HB1      LEU  14  -6.089   5.822  -1.280
  391    HG   LEU  14           HG       LEU  14  -4.582   5.642  -3.273
  392   HD11  LEU  14          HD11      LEU  14  -5.114   3.995  -4.969
  393   HD12  LEU  14          HD12      LEU  14  -6.354   3.303  -3.923
  394   HD13  LEU  14          HD13      LEU  14  -4.651   3.192  -3.462
  395   HD21  LEU  14          HD21      LEU  14  -6.654   6.941  -3.337
  396   HD22  LEU  14          HD22      LEU  14  -7.544   5.498  -3.820
  397   HD23  LEU  14          HD23      LEU  14  -6.322   6.180  -4.892
  398    H    SER  15           HN       SER  15  -4.792   5.528   1.173
  399    HA   SER  15           HA       SER  15  -2.997   7.591   0.398
  400    HB2  SER  15           HB2      SER  15  -4.958   7.800   2.022
  401    HB3  SER  15           HB1      SER  15  -3.931   6.997   3.209
  402    HG   SER  15           HG       SER  15  -3.149   9.336   1.811
  403    H    LYS  16           HN       LYS  16  -2.791   4.699   2.444
  404    HA   LYS  16           HA       LYS  16  -0.025   5.276   2.993
  405    HB2  LYS  16           HB2      LYS  16   0.086   3.303   4.275
  406    HB3  LYS  16           HB1      LYS  16  -1.468   4.037   4.628
  407    HG2  LYS  16           HG2      LYS  16  -2.532   2.406   3.098
  408    HG3  LYS  16           HG1      LYS  16  -0.955   1.634   2.890
  409    HD2  LYS  16           HD2      LYS  16  -0.874   1.408   5.408
  410    HD3  LYS  16           HD1      LYS  16  -2.565   1.904   5.423
  411    HE2  LYS  16           HE2      LYS  16  -3.065  -0.017   3.914
  412    HE3  LYS  16           HE1      LYS  16  -1.388  -0.545   4.106
  413    HZ1  LYS  16           HZ1      LYS  16  -2.898  -1.695   5.622
  414    HZ2  LYS  16           HZ2      LYS  16  -3.343  -0.224   6.323
  415    HZ3  LYS  16           HZ3      LYS  16  -1.753  -0.781   6.467
  416    H    ASN  17           HN       ASN  17  -1.859   3.304   0.707
  417    HA   ASN  17           HA       ASN  17   0.191   1.990  -0.652
  418    HB2  ASN  17           HB2      ASN  17  -2.206   3.530  -1.711
  419    HB3  ASN  17           HB1      ASN  17  -1.077   2.735  -2.792
  420   HD21  ASN  17          HD21      ASN  17  -0.639   0.387  -1.314
  421   HD22  ASN  17          HD22      ASN  17  -2.121  -0.504  -1.305
  422    H    TYR  18           HN       TYR  18  -0.856   5.376  -0.831
  423    HA   TYR  18           HA       TYR  18   0.958   6.221  -2.802
  424    HB2  TYR  18           HB2      TYR  18  -0.996   7.536  -2.088
  425    HB3  TYR  18           HB1      TYR  18  -0.234   7.825  -0.530
  426    HD1  TYR  18           HD1      TYR  18   1.350   9.571  -0.250
  427    HD2  TYR  18           HD2      TYR  18   0.017   8.521  -4.152
  428    HE1  TYR  18           HE1      TYR  18   2.419  11.591  -1.154
  429    HE2  TYR  18           HE2      TYR  18   1.085  10.536  -5.064
  430    HH   TYR  18           HH       TYR  18   1.804  12.751  -4.284
  431    H    HIS  19           HN       HIS  19   1.210   6.727   0.727
  432    HA   HIS  19           HA       HIS  19   3.810   7.825   0.551
  433    HB2  HIS  19           HB2      HIS  19   2.202   6.776   2.867
  434    HB3  HIS  19           HB1      HIS  19   3.840   7.391   3.075
  435    HD1  HIS  19           HD1      HIS  19   4.177   9.919   2.972
  436    HD2  HIS  19           HD2      HIS  19   0.269   8.737   2.183
  437    HE1  HIS  19           HE1      HIS  19   2.813  12.028   3.001
  438    HE2  HIS  19           HE2      HIS  19   0.497  11.310   2.324
  439    H    LEU  20           HN       LEU  20   2.679   4.566   1.329
  440    HA   LEU  20           HA       LEU  20   5.209   3.518   1.978
  441    HB2  LEU  20           HB2      LEU  20   3.409   2.365   2.855
  442    HB3  LEU  20           HB1      LEU  20   2.487   2.476   1.380
  443    HG   LEU  20           HG       LEU  20   3.658   0.698   0.406
  444   HD11  LEU  20          HD11      LEU  20   5.887   1.234   1.298
  445   HD12  LEU  20          HD12      LEU  20   5.473  -0.474   1.477
  446   HD13  LEU  20          HD13      LEU  20   5.378   0.613   2.867
  447   HD21  LEU  20          HD21      LEU  20   2.977   0.072   3.256
  448   HD22  LEU  20          HD22      LEU  20   3.237  -1.131   1.994
  449   HD23  LEU  20          HD23      LEU  20   1.891   0.007   1.865
  450    H    GLU  21           HN       GLU  21   3.449   3.865  -1.081
  451    HA   GLU  21           HA       GLU  21   5.249   2.396  -2.681
  452    HB2  GLU  21           HB2      GLU  21   3.118   4.350  -3.136
  453    HB3  GLU  21           HB1      GLU  21   4.419   4.465  -4.316
  454    HG2  GLU  21           HG2      GLU  21   4.137   2.120  -4.869
  455    HG3  GLU  21           HG1      GLU  21   2.886   1.968  -3.638
  456    H    ASN  22           HN       ASN  22   5.227   5.778  -1.635
  457    HA   ASN  22           HA       ASN  22   7.602   6.521  -2.989
  458    HB2  ASN  22           HB2      ASN  22   6.199   7.694  -0.588
  459    HB3  ASN  22           HB1      ASN  22   7.677   8.384  -1.249
  460   HD21  ASN  22          HD21      ASN  22   7.630   9.303  -3.329
  461   HD22  ASN  22          HD22      ASN  22   6.144   9.833  -4.034
  462    H    GLU  23           HN       GLU  23   6.968   4.996   0.100
  463    HA   GLU  23           HA       GLU  23   9.507   5.304   1.259
  464    HB2  GLU  23           HB2      GLU  23   7.545   3.024   1.571
  465    HB3  GLU  23           HB1      GLU  23   8.933   3.305   2.611
  466    HG2  GLU  23           HG2      GLU  23   6.576   5.145   2.270
  467    HG3  GLU  23           HG1      GLU  23   6.873   4.078   3.640
  468    H    VAL  24           HN       VAL  24   8.200   2.655  -0.751
  469    HA   VAL  24           HA       VAL  24  10.578   1.166  -0.853
  470    HB   VAL  24           HB       VAL  24   8.253   1.307  -2.813
  471   HG11  VAL  24          HG11      VAL  24   9.195  -0.611  -3.957
  472   HG12  VAL  24          HG12      VAL  24  10.577  -0.627  -2.858
  473   HG13  VAL  24          HG13      VAL  24  10.372   0.706  -4.000
  474   HG21  VAL  24          HG21      VAL  24   7.892  -0.986  -1.969
  475   HG22  VAL  24          HG22      VAL  24   7.727   0.267  -0.740
  476   HG23  VAL  24          HG23      VAL  24   9.188  -0.723  -0.800
  477    H    ALA  25           HN       ALA  25   9.336   3.762  -2.913
  478    HA   ALA  25           HA       ALA  25  11.248   3.719  -4.933
  479    HB1  ALA  25           HB1      ALA  25   9.830   6.132  -3.798
  480    HB2  ALA  25           HB2      ALA  25   9.192   5.053  -5.038
  481    HB3  ALA  25           HB3      ALA  25  10.617   6.039  -5.373
  482    H    ARG  26           HN       ARG  26  11.281   5.510  -1.857
  483    HA   ARG  26           HA       ARG  26  13.748   6.795  -2.216
  484    HB2  ARG  26           HB2      ARG  26  12.376   5.873   0.312
  485    HB3  ARG  26           HB1      ARG  26  13.825   6.867   0.298
  486    HG2  ARG  26           HG2      ARG  26  12.583   8.598  -0.947
  487    HG3  ARG  26           HG1      ARG  26  11.127   7.608  -0.810
  488    HD2  ARG  26           HD2      ARG  26  11.222   7.739   1.602
  489    HD3  ARG  26           HD1      ARG  26  12.744   8.618   1.522
  490    HE   ARG  26           HE       ARG  26  10.289   9.749   0.360
  491   HH11  ARG  26          HH11      ARG  26  13.008   9.965   2.560
  492   HH12  ARG  26          HH12      ARG  26  12.667  11.600   3.021
  493   HH21  ARG  26          HH21      ARG  26   9.839  11.904   0.964
  494   HH22  ARG  26          HH22      ARG  26  10.872  12.708   2.106
  495    H    LEU  27           HN       LEU  27  13.039   3.849  -0.360
  496    HA   LEU  27           HA       LEU  27  15.633   3.199   0.371
  497    HB2  LEU  27           HB2      LEU  27  13.161   1.565  -0.064
  498    HB3  LEU  27           HB1      LEU  27  14.674   0.784   0.303
  499    HG   LEU  27           HG       LEU  27  14.750   1.641   2.485
  500   HD11  LEU  27          HD11      LEU  27  12.523   3.537   1.756
  501   HD12  LEU  27          HD12      LEU  27  14.215   3.977   1.987
  502   HD13  LEU  27          HD13      LEU  27  13.271   3.364   3.343
  503   HD21  LEU  27          HD21      LEU  27  12.496   1.103   3.387
  504   HD22  LEU  27          HD22      LEU  27  13.159  -0.112   2.298
  505   HD23  LEU  27          HD23      LEU  27  11.915   1.000   1.728
  506    H    LYS  28           HN       LYS  28  13.868   2.386  -2.567
  507    HA   LYS  28           HA       LYS  28  15.573   0.440  -3.605
  508    HB2  LYS  28           HB2      LYS  28  13.232   1.418  -4.395
  509    HB3  LYS  28           HB1      LYS  28  14.253   2.379  -5.452
  510    HG2  LYS  28           HG2      LYS  28  13.540   0.433  -6.637
  511    HG3  LYS  28           HG1      LYS  28  15.265   0.274  -6.296
  512    HD2  LYS  28           HD2      LYS  28  14.764  -1.166  -4.393
  513    HD3  LYS  28           HD1      LYS  28  13.040  -0.975  -4.695
  514    HE2  LYS  28           HE2      LYS  28  13.873  -3.099  -5.534
  515    HE3  LYS  28           HE1      LYS  28  13.270  -2.079  -6.841
  516    HZ1  LYS  28           HZ1      LYS  28  15.314  -3.085  -7.504
  517    HZ2  LYS  28           HZ2      LYS  28  16.105  -2.548  -6.112
  518    HZ3  LYS  28           HZ3      LYS  28  15.601  -1.430  -7.281
  519    H    LYS  29           HN       LYS  29  15.666   3.956  -3.863
  520    HA   LYS  29           HA       LYS  29  17.895   4.005  -5.660
  521    HB2  LYS  29           HB2      LYS  29  16.221   5.809  -5.594
  522    HB3  LYS  29           HB1      LYS  29  16.685   6.188  -3.946
  523    HG2  LYS  29           HG2      LYS  29  18.804   6.288  -6.023
  524    HG3  LYS  29           HG1      LYS  29  17.577   7.556  -6.033
  525    HD2  LYS  29           HD2      LYS  29  19.191   6.799  -3.598
  526    HD3  LYS  29           HD1      LYS  29  19.647   8.092  -4.718
  527    HE2  LYS  29           HE2      LYS  29  17.085   7.947  -3.122
  528    HE3  LYS  29           HE1      LYS  29  18.473   8.966  -2.754
  529    HZ1  LYS  29           HZ1      LYS  29  16.789   9.138  -5.192
  530    HZ2  LYS  29           HZ2      LYS  29  18.142  10.098  -4.872
  531    HZ3  LYS  29           HZ3      LYS  29  16.770  10.218  -3.895
  532    H    LEU  30           HN       LEU  30  17.472   3.930  -2.229
  533    HA   LEU  30           HA       LEU  30  20.112   4.776  -1.545
  534    HB2  LEU  30           HB2      LEU  30  17.791   3.648  -0.067
  535    HB3  LEU  30           HB1      LEU  30  19.375   3.516   0.673
  536    HG   LEU  30           HG       LEU  30  19.607   5.993   0.440
  537   HD11  LEU  30          HD11      LEU  30  16.689   5.869  -0.261
  538   HD12  LEU  30          HD12      LEU  30  17.996   6.371  -1.332
  539   HD13  LEU  30          HD13      LEU  30  17.608   7.332   0.094
  540   HD21  LEU  30          HD21      LEU  30  17.281   5.008   2.078
  541   HD22  LEU  30          HD22      LEU  30  18.171   6.507   2.344
  542   HD23  LEU  30          HD23      LEU  30  18.980   4.953   2.550
  543    H    VAL  31           HN       VAL  31  18.506   1.682  -2.058
  544    HA   VAL  31           HA       VAL  31  20.841   0.116  -1.512
  545    HB   VAL  31           HB       VAL  31  18.475  -0.598  -3.272
  546   HG11  VAL  31          HG11      VAL  31  19.125  -2.923  -2.805
  547   HG12  VAL  31          HG12      VAL  31  20.540  -2.340  -1.932
  548   HG13  VAL  31          HG13      VAL  31  20.390  -2.042  -3.662
  549   HG21  VAL  31          HG21      VAL  31  17.739  -0.025  -1.023
  550   HG22  VAL  31          HG22      VAL  31  18.918  -1.144  -0.340
  551   HG23  VAL  31          HG23      VAL  31  17.580  -1.757  -1.310
  552    H    GLY  32           HN       GLY  32  19.605   1.956  -4.131
  553    HA2  GLY  32           HA2      GLY  32  20.863   2.878  -5.847
  554    HA3  GLY  32           HA1      GLY  32  22.145   1.722  -5.511
  555    H    GLU  33           HN       GLU  33  18.787   0.844  -5.985
  556    HA   GLU  33           HA       GLU  33  19.547  -0.360  -8.570
  557    HB2  GLU  33           HB2      GLU  33  17.915  -1.610  -6.355
  558    HB3  GLU  33           HB1      GLU  33  18.008  -2.264  -7.984
  559    HG2  GLU  33           HG2      GLU  33  20.376  -1.870  -6.168
  560    HG3  GLU  33           HG1      GLU  33  19.496  -3.386  -6.352
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -23.699  -5.890  -6.012
    2    H2   GLY   1           HT2      GLY   1 -24.224  -4.608  -6.981
    3    H3   GLY   1           HT3      GLY   1 -25.352  -5.611  -6.226
    4    HA2  GLY   1           HA1      GLY   1 -25.185  -3.506  -5.069
    5    HA3  GLY   1           HA2      GLY   1 -24.657  -4.845  -4.062
    6    H    SER   2           HN       SER   2 -23.788  -2.543  -3.187
    7    HA   SER   2           HA       SER   2 -21.242  -1.877  -4.431
    8    HB2  SER   2           HB2      SER   2 -21.237  -0.113  -2.566
    9    HB3  SER   2           HB1      SER   2 -22.481   0.034  -3.808
   10    HG   SER   2           HG       SER   2 -23.557   0.240  -1.919
   11    H    MET   3           HN       MET   3 -22.448  -3.749  -1.831
   12    HA   MET   3           HA       MET   3 -20.540  -3.438   0.142
   13    HB2  MET   3           HB2      MET   3 -22.661  -4.685   0.397
   14    HB3  MET   3           HB1      MET   3 -21.993  -5.986  -0.571
   15    HG2  MET   3           HG2      MET   3 -21.579  -6.836   1.478
   16    HG3  MET   3           HG1      MET   3 -20.103  -5.897   1.280
   17    HE1  MET   3           HE1      MET   3 -20.717  -2.794   3.546
   18    HE2  MET   3           HE2      MET   3 -21.175  -2.826   1.847
   19    HE3  MET   3           HE3      MET   3 -19.667  -3.579   2.366
   20    H    LYS   4           HN       LYS   4 -20.545  -5.991  -2.373
   21    HA   LYS   4           HA       LYS   4 -17.953  -6.872  -1.431
   22    HB2  LYS   4           HB2      LYS   4 -18.196  -8.745  -2.887
   23    HB3  LYS   4           HB1      LYS   4 -19.751  -8.473  -2.117
   24    HG2  LYS   4           HG2      LYS   4 -20.561  -7.370  -4.145
   25    HG3  LYS   4           HG1      LYS   4 -18.999  -7.653  -4.915
   26    HD2  LYS   4           HD2      LYS   4 -19.333 -10.089  -4.579
   27    HD3  LYS   4           HD1      LYS   4 -20.942  -9.745  -3.944
   28    HE2  LYS   4           HE2      LYS   4 -21.151 -10.377  -6.242
   29    HE3  LYS   4           HE1      LYS   4 -21.498  -8.655  -6.105
   30    HZ1  LYS   4           HZ1      LYS   4 -19.259  -8.178  -6.884
   31    HZ2  LYS   4           HZ2      LYS   4 -20.087  -9.134  -8.008
   32    HZ3  LYS   4           HZ3      LYS   4 -18.923  -9.832  -7.001
   33    H    GLN   5           HN       GLN   5 -19.041  -4.644  -3.682
   34    HA   GLN   5           HA       GLN   5 -16.925  -5.081  -5.618
   35    HB2  GLN   5           HB2      GLN   5 -19.145  -3.030  -5.510
   36    HB3  GLN   5           HB1      GLN   5 -17.963  -3.146  -6.806
   37    HG2  GLN   5           HG2      GLN   5 -19.978  -5.246  -6.037
   38    HG3  GLN   5           HG1      GLN   5 -20.053  -4.186  -7.444
   39   HE21  GLN   5          HE21      GLN   5 -18.641  -4.542  -9.166
   40   HE22  GLN   5          HE22      GLN   5 -17.800  -6.041  -9.367
   41    H    LEU   6           HN       LEU   6 -18.035  -2.589  -3.364
   42    HA   LEU   6           HA       LEU   6 -15.753  -0.941  -3.615
   43    HB2  LEU   6           HB2      LEU   6 -17.911  -1.264  -1.569
   44    HB3  LEU   6           HB1      LEU   6 -16.486  -0.341  -1.156
   45    HG   LEU   6           HG       LEU   6 -18.446   1.020  -1.909
   46   HD11  LEU   6          HD11      LEU   6 -16.011   1.293  -3.664
   47   HD12  LEU   6          HD12      LEU   6 -16.110   1.837  -1.991
   48   HD13  LEU   6          HD13      LEU   6 -17.152   2.559  -3.214
   49   HD21  LEU   6          HD21      LEU   6 -17.805  -0.176  -4.602
   50   HD22  LEU   6          HD22      LEU   6 -18.935   1.144  -4.293
   51   HD23  LEU   6          HD23      LEU   6 -19.267  -0.468  -3.660
   52    H    GLU   7           HN       GLU   7 -16.666  -3.525  -1.369
   53    HA   GLU   7           HA       GLU   7 -14.311  -3.553   0.146
   54    HB2  GLU   7           HB2      GLU   7 -16.406  -4.774   0.725
   55    HB3  GLU   7           HB1      GLU   7 -16.043  -5.930  -0.547
   56    HG2  GLU   7           HG2      GLU   7 -13.955  -6.518   0.611
   57    HG3  GLU   7           HG1      GLU   7 -14.384  -5.403   1.908
   58    H    ASP   8           HN       ASP   8 -15.096  -5.024  -2.977
   59    HA   ASP   8           HA       ASP   8 -12.848  -6.676  -3.237
   60    HB2  ASP   8           HB2      ASP   8 -14.737  -5.420  -5.110
   61    HB3  ASP   8           HB1      ASP   8 -13.151  -5.760  -5.795
   62    H    LYS   9           HN       LYS   9 -13.206  -3.226  -3.945
   63    HA   LYS   9           HA       LYS   9 -10.548  -2.965  -4.958
   64    HB2  LYS   9           HB2      LYS   9 -12.470  -0.844  -3.980
   65    HB3  LYS   9           HB1      LYS   9 -10.975  -0.529  -4.847
   66    HG2  LYS   9           HG2      LYS   9 -11.876  -1.788  -6.783
   67    HG3  LYS   9           HG1      LYS   9 -13.395  -1.978  -5.906
   68    HD2  LYS   9           HD2      LYS   9 -12.130   0.662  -6.632
   69    HD3  LYS   9           HD1      LYS   9 -13.431  -0.116  -7.531
   70    HE2  LYS   9           HE2      LYS   9 -14.850  -0.014  -5.524
   71    HE3  LYS   9           HE1      LYS   9 -13.549   0.813  -4.665
   72    HZ1  LYS   9           HZ1      LYS   9 -14.928   1.825  -7.092
   73    HZ2  LYS   9           HZ2      LYS   9 -13.689   2.617  -6.263
   74    HZ3  LYS   9           HZ3      LYS   9 -15.183   2.375  -5.514
   75    H    VAL  10           HN       VAL  10 -12.057  -2.457  -1.802
   76    HA   VAL  10           HA       VAL  10  -9.936  -1.165  -0.510
   77    HB   VAL  10           HB       VAL  10 -11.617  -3.249   0.865
   78   HG11  VAL  10          HG11      VAL  10 -10.417  -0.653   1.802
   79   HG12  VAL  10          HG12      VAL  10  -9.807  -2.273   2.158
   80   HG13  VAL  10          HG13      VAL  10 -11.372  -1.760   2.791
   81   HG21  VAL  10          HG21      VAL  10 -12.469  -0.395   0.559
   82   HG22  VAL  10          HG22      VAL  10 -13.394  -1.752   1.200
   83   HG23  VAL  10          HG23      VAL  10 -13.028  -1.668  -0.523
   84    H    GLU  11           HN       GLU  11 -10.679  -4.632  -0.724
   85    HA   GLU  11           HA       GLU  11  -8.305  -5.391   0.701
   86    HB2  GLU  11           HB2      GLU  11 -10.199  -7.105  -0.928
   87    HB3  GLU  11           HB1      GLU  11  -9.021  -7.682   0.242
   88    HG2  GLU  11           HG2      GLU  11 -11.398  -5.942   0.863
   89    HG3  GLU  11           HG1      GLU  11 -11.291  -7.679   1.142
   90    H    GLU  12           HN       GLU  12  -9.019  -4.709  -2.593
   91    HA   GLU  12           HA       GLU  12  -6.860  -6.231  -3.710
   92    HB2  GLU  12           HB2      GLU  12  -8.820  -5.561  -5.064
   93    HB3  GLU  12           HB1      GLU  12  -8.356  -3.876  -4.880
   94    HG2  GLU  12           HG2      GLU  12  -6.278  -4.307  -6.068
   95    HG3  GLU  12           HG1      GLU  12  -6.720  -6.004  -6.238
   96    H    LEU  13           HN       LEU  13  -7.409  -2.840  -2.826
   97    HA   LEU  13           HA       LEU  13  -4.748  -2.001  -3.309
   98    HB2  LEU  13           HB2      LEU  13  -6.850  -0.916  -1.437
   99    HB3  LEU  13           HB1      LEU  13  -5.310  -0.134  -1.735
  100    HG   LEU  13           HG       LEU  13  -7.504  -0.594  -3.756
  101   HD11  LEU  13          HD11      LEU  13  -7.951   1.197  -2.158
  102   HD12  LEU  13          HD12      LEU  13  -7.651   1.836  -3.774
  103   HD13  LEU  13          HD13      LEU  13  -6.393   1.929  -2.540
  104   HD21  LEU  13          HD21      LEU  13  -4.790   0.681  -4.090
  105   HD22  LEU  13          HD22      LEU  13  -6.087   0.714  -5.285
  106   HD23  LEU  13          HD23      LEU  13  -5.343  -0.819  -4.835
  107    H    LEU  14           HN       LEU  14  -6.321  -3.684  -0.739
  108    HA   LEU  14           HA       LEU  14  -4.323  -3.481   1.247
  109    HB2  LEU  14           HB2      LEU  14  -6.720  -4.338   1.451
  110    HB3  LEU  14           HB1      LEU  14  -6.131  -5.840   0.773
  111    HG   LEU  14           HG       LEU  14  -4.498  -5.956   2.698
  112   HD11  LEU  14          HD11      LEU  14  -4.593  -3.598   3.345
  113   HD12  LEU  14          HD12      LEU  14  -5.021  -4.660   4.686
  114   HD13  LEU  14          HD13      LEU  14  -6.286  -3.798   3.808
  115   HD21  LEU  14          HD21      LEU  14  -6.506  -7.325   2.607
  116   HD22  LEU  14          HD22      LEU  14  -7.446  -6.015   3.322
  117   HD23  LEU  14          HD23      LEU  14  -6.179  -6.804   4.259
  118    H    SER  15           HN       SER  15  -4.650  -5.367  -1.630
  119    HA   SER  15           HA       SER  15  -2.771  -7.401  -0.944
  120    HB2  SER  15           HB2      SER  15  -4.582  -7.783  -2.592
  121    HB3  SER  15           HB1      SER  15  -3.835  -6.602  -3.668
  122    HG   SER  15           HG       SER  15  -2.686  -9.042  -2.771
  123    H    LYS  16           HN       LYS  16  -2.678  -4.498  -3.007
  124    HA   LYS  16           HA       LYS  16   0.120  -4.766  -3.470
  125    HB2  LYS  16           HB2      LYS  16   0.056  -2.445  -4.306
  126    HB3  LYS  16           HB1      LYS  16  -1.108  -3.503  -5.085
  127    HG2  LYS  16           HG2      LYS  16  -2.889  -2.540  -3.690
  128    HG3  LYS  16           HG1      LYS  16  -1.707  -1.460  -2.954
  129    HD2  LYS  16           HD2      LYS  16  -2.303  -1.572  -5.907
  130    HD3  LYS  16           HD1      LYS  16  -3.049  -0.429  -4.790
  131    HE2  LYS  16           HE2      LYS  16  -0.910   0.541  -4.276
  132    HE3  LYS  16           HE1      LYS  16  -0.078  -0.683  -5.235
  133    HZ1  LYS  16           HZ1      LYS  16  -1.143   0.180  -7.211
  134    HZ2  LYS  16           HZ2      LYS  16  -0.300   1.416  -6.429
  135    HZ3  LYS  16           HZ3      LYS  16  -1.981   1.327  -6.301
  136    H    ASN  17           HN       ASN  17  -1.825  -3.086  -1.065
  137    HA   ASN  17           HA       ASN  17   0.184  -1.724   0.305
  138    HB2  ASN  17           HB2      ASN  17  -2.455  -2.839   0.985
  139    HB3  ASN  17           HB1      ASN  17  -1.348  -2.736   2.350
  140   HD21  ASN  17          HD21      ASN  17  -3.819  -1.242   1.581
  141   HD22  ASN  17          HD22      ASN  17  -3.365   0.424   1.656
  142    H    TYR  18           HN       TYR  18  -0.797  -5.128   0.452
  143    HA   TYR  18           HA       TYR  18   1.097  -5.923   2.394
  144    HB2  TYR  18           HB2      TYR  18  -0.811  -7.332   1.694
  145    HB3  TYR  18           HB1      TYR  18  -0.067  -7.542   0.114
  146    HD1  TYR  18           HD1      TYR  18   1.783  -9.062  -0.194
  147    HD2  TYR  18           HD2      TYR  18   0.131  -8.427   3.673
  148    HE1  TYR  18           HE1      TYR  18   2.992 -11.031   0.636
  149    HE2  TYR  18           HE2      TYR  18   1.339 -10.396   4.516
  150    HH   TYR  18           HH       TYR  18   2.303 -12.505   3.571
  151    H    HIS  19           HN       HIS  19   1.228  -5.862  -1.139
  152    HA   HIS  19           HA       HIS  19   3.777  -6.980  -1.456
  153    HB2  HIS  19           HB2      HIS  19   2.189  -6.766  -3.306
  154    HB3  HIS  19           HB1      HIS  19   2.317  -5.013  -3.233
  155    HD1  HIS  19           HD1      HIS  19   3.709  -4.161  -5.084
  156    HD2  HIS  19           HD2      HIS  19   5.049  -7.851  -3.730
  157    HE1  HIS  19           HE1      HIS  19   5.723  -4.700  -6.483
  158    HE2  HIS  19           HE2      HIS  19   6.397  -7.021  -5.775
  159    H    LEU  20           HN       LEU  20   2.801  -3.554  -1.365
  160    HA   LEU  20           HA       LEU  20   5.361  -2.437  -1.678
  161    HB2  LEU  20           HB2      LEU  20   3.096  -1.283  -0.060
  162    HB3  LEU  20           HB1      LEU  20   4.409  -0.384  -0.782
  163    HG   LEU  20           HG       LEU  20   2.095  -1.692  -2.109
  164   HD11  LEU  20          HD11      LEU  20   1.653   0.492  -1.261
  165   HD12  LEU  20          HD12      LEU  20   1.720   0.550  -3.021
  166   HD13  LEU  20          HD13      LEU  20   3.085   1.130  -2.067
  167   HD21  LEU  20          HD21      LEU  20   4.037  -2.244  -3.455
  168   HD22  LEU  20          HD22      LEU  20   4.539  -0.553  -3.448
  169   HD23  LEU  20          HD23      LEU  20   3.056  -1.029  -4.275
  170    H    GLU  21           HN       GLU  21   3.445  -3.024   1.220
  171    HA   GLU  21           HA       GLU  21   5.230  -2.021   3.104
  172    HB2  GLU  21           HB2      GLU  21   2.762  -2.993   3.284
  173    HB3  GLU  21           HB1      GLU  21   3.627  -4.423   3.829
  174    HG2  GLU  21           HG2      GLU  21   4.732  -3.048   5.557
  175    HG3  GLU  21           HG1      GLU  21   3.753  -1.672   5.037
  176    H    ASN  22           HN       ASN  22   4.906  -5.372   1.947
  177    HA   ASN  22           HA       ASN  22   7.076  -6.363   3.481
  178    HB2  ASN  22           HB2      ASN  22   5.549  -7.415   1.121
  179    HB3  ASN  22           HB1      ASN  22   7.002  -8.239   1.673
  180   HD21  ASN  22          HD21      ASN  22   6.997  -9.278   3.649
  181   HD22  ASN  22          HD22      ASN  22   5.539  -9.621   4.511
  182    H    GLU  23           HN       GLU  23   6.833  -4.912   0.283
  183    HA   GLU  23           HA       GLU  23   9.469  -5.557  -0.544
  184    HB2  GLU  23           HB2      GLU  23   7.621  -4.746  -2.046
  185    HB3  GLU  23           HB1      GLU  23   7.856  -3.138  -1.374
  186    HG2  GLU  23           HG2      GLU  23   8.990  -3.330  -3.491
  187    HG3  GLU  23           HG1      GLU  23  10.166  -3.145  -2.190
  188    H    VAL  24           HN       VAL  24   8.083  -2.780   1.166
  189    HA   VAL  24           HA       VAL  24  10.394  -1.216   1.382
  190    HB   VAL  24           HB       VAL  24   8.183  -1.477   3.440
  191   HG11  VAL  24          HG11      VAL  24  10.170   0.743   2.966
  192   HG12  VAL  24          HG12      VAL  24  10.185  -0.391   4.320
  193   HG13  VAL  24          HG13      VAL  24   8.860   0.762   4.149
  194   HG21  VAL  24          HG21      VAL  24   8.448   0.460   1.144
  195   HG22  VAL  24          HG22      VAL  24   7.181   0.472   2.370
  196   HG23  VAL  24          HG23      VAL  24   7.303  -0.877   1.240
  197    H    ALA  25           HN       ALA  25   9.100  -3.718   3.544
  198    HA   ALA  25           HA       ALA  25  11.035  -3.549   5.552
  199    HB1  ALA  25           HB1      ALA  25   8.918  -4.770   5.799
  200    HB2  ALA  25           HB2      ALA  25  10.301  -5.784   6.217
  201    HB3  ALA  25           HB3      ALA  25   9.494  -5.990   4.662
  202    H    ARG  26           HN       ARG  26  10.997  -5.387   2.547
  203    HA   ARG  26           HA       ARG  26  13.356  -6.872   3.006
  204    HB2  ARG  26           HB2      ARG  26  11.697  -7.420   1.260
  205    HB3  ARG  26           HB1      ARG  26  12.153  -5.967   0.382
  206    HG2  ARG  26           HG2      ARG  26  14.412  -6.858   0.082
  207    HG3  ARG  26           HG1      ARG  26  13.944  -8.320   0.955
  208    HD2  ARG  26           HD2      ARG  26  12.774  -7.324  -1.641
  209    HD3  ARG  26           HD1      ARG  26  13.853  -8.705  -1.440
  210    HE   ARG  26           HE       ARG  26  11.793  -9.349   0.166
  211   HH11  ARG  26          HH11      ARG  26  11.925  -8.270  -3.161
  212   HH12  ARG  26          HH12      ARG  26  10.491  -9.131  -3.624
  213   HH21  ARG  26          HH21      ARG  26   9.909 -10.467  -0.434
  214   HH22  ARG  26          HH22      ARG  26   9.334 -10.371  -2.070
  215    H    LEU  27           HN       LEU  27  12.794  -3.879   1.165
  216    HA   LEU  27           HA       LEU  27  15.476  -3.392   0.483
  217    HB2  LEU  27           HB2      LEU  27  12.995  -1.758   0.610
  218    HB3  LEU  27           HB1      LEU  27  14.519  -0.914   0.534
  219    HG   LEU  27           HG       LEU  27  15.020  -1.741  -1.610
  220   HD11  LEU  27          HD11      LEU  27  12.712  -3.661  -1.330
  221   HD12  LEU  27          HD12      LEU  27  14.422  -4.085  -1.257
  222   HD13  LEU  27          HD13      LEU  27  13.732  -3.462  -2.754
  223   HD21  LEU  27          HD21      LEU  27  12.067  -1.187  -1.477
  224   HD22  LEU  27          HD22      LEU  27  13.048  -1.142  -2.942
  225   HD23  LEU  27          HD23      LEU  27  13.356   0.004  -1.638
  226    H    LYS  28           HN       LYS  28  13.582  -2.521   3.309
  227    HA   LYS  28           HA       LYS  28  15.358  -0.651   4.411
  228    HB2  LYS  28           HB2      LYS  28  12.994  -0.969   5.115
  229    HB3  LYS  28           HB1      LYS  28  13.453  -2.478   5.885
  230    HG2  LYS  28           HG2      LYS  28  13.302  -0.839   7.585
  231    HG3  LYS  28           HG1      LYS  28  15.013  -1.168   7.337
  232    HD2  LYS  28           HD2      LYS  28  13.807   1.061   5.789
  233    HD3  LYS  28           HD1      LYS  28  14.044   1.307   7.519
  234    HE2  LYS  28           HE2      LYS  28  16.176   0.526   5.530
  235    HE3  LYS  28           HE1      LYS  28  15.950   2.125   6.227
  236    HZ1  LYS  28           HZ1      LYS  28  16.665  -0.347   7.708
  237    HZ2  LYS  28           HZ2      LYS  28  16.384   1.162   8.417
  238    HZ3  LYS  28           HZ3      LYS  28  17.694   0.954   7.368
  239    H    LYS  29           HN       LYS  29  15.334  -4.143   4.446
  240    HA   LYS  29           HA       LYS  29  17.267  -4.446   6.529
  241    HB2  LYS  29           HB2      LYS  29  16.432  -6.322   4.314
  242    HB3  LYS  29           HB1      LYS  29  17.512  -6.761   5.629
  243    HG2  LYS  29           HG2      LYS  29  14.652  -5.873   5.936
  244    HG3  LYS  29           HG1      LYS  29  15.231  -7.543   6.006
  245    HD2  LYS  29           HD2      LYS  29  16.682  -6.886   7.927
  246    HD3  LYS  29           HD1      LYS  29  15.911  -5.290   7.897
  247    HE2  LYS  29           HE2      LYS  29  14.860  -6.692   9.573
  248    HE3  LYS  29           HE1      LYS  29  13.729  -6.359   8.261
  249    HZ1  LYS  29           HZ1      LYS  29  15.314  -8.854   8.550
  250    HZ2  LYS  29           HZ2      LYS  29  14.165  -8.537   7.350
  251    HZ3  LYS  29           HZ3      LYS  29  13.684  -8.684   8.964
  252    H    LEU  30           HN       LEU  30  17.396  -4.081   3.049
  253    HA   LEU  30           HA       LEU  30  20.210  -4.581   2.858
  254    HB2  LEU  30           HB2      LEU  30  18.148  -3.505   0.966
  255    HB3  LEU  30           HB1      LEU  30  19.852  -3.395   0.570
  256    HG   LEU  30           HG       LEU  30  20.010  -5.876   0.802
  257   HD11  LEU  30          HD11      LEU  30  17.007  -5.733   0.960
  258   HD12  LEU  30          HD12      LEU  30  18.092  -6.243   2.254
  259   HD13  LEU  30          HD13      LEU  30  17.970  -7.200   0.777
  260   HD21  LEU  30          HD21      LEU  30  18.914  -6.370  -1.326
  261   HD22  LEU  30          HD22      LEU  30  19.780  -4.835  -1.380
  262   HD23  LEU  30          HD23      LEU  30  18.023  -4.852  -1.218
  263    H    VAL  31           HN       VAL  31  18.167  -1.780   3.278
  264    HA   VAL  31           HA       VAL  31  20.516  -0.040   3.484
  265    HB   VAL  31           HB       VAL  31  17.643   0.784   3.936
  266   HG11  VAL  31          HG11      VAL  31  19.345   2.356   4.690
  267   HG12  VAL  31          HG12      VAL  31  18.458   3.001   3.310
  268   HG13  VAL  31          HG13      VAL  31  20.080   2.346   3.086
  269   HG21  VAL  31          HG21      VAL  31  19.129   0.773   1.312
  270   HG22  VAL  31          HG22      VAL  31  17.542   1.488   1.598
  271   HG23  VAL  31          HG23      VAL  31  17.761  -0.257   1.737
  272    H    GLY  32           HN       GLY  32  20.145  -2.209   5.277
  273    HA2  GLY  32           HA2      GLY  32  19.824  -0.767   7.819
  274    HA3  GLY  32           HA1      GLY  32  18.960  -2.276   7.551
  275    H    GLU  33           HN       GLU  33  20.702  -3.917   6.425
  276    HA   GLU  33           HA       GLU  33  22.857  -4.109   8.415
  277    HB2  GLU  33           HB2      GLU  33  21.508  -6.278   6.794
  278    HB3  GLU  33           HB1      GLU  33  22.829  -6.538   7.925
  279    HG2  GLU  33           HG2      GLU  33  21.438  -5.793   9.762
  280    HG3  GLU  33           HG1      GLU  33  20.120  -5.442   8.647
  281    H1   GLY   1           HT1      GLY   1 -23.876   6.040   5.000
  282    H2   GLY   1           HT2      GLY   1 -24.457   4.775   5.957
  283    H3   GLY   1           HT3      GLY   1 -25.541   5.785   5.146
  284    HA2  GLY   1           HA1      GLY   1 -25.356   3.670   4.011
  285    HA3  GLY   1           HA2      GLY   1 -24.757   4.989   3.017
  286    H    SER   2           HN       SER   2 -23.869   2.687   2.189
  287    HA   SER   2           HA       SER   2 -21.389   2.002   3.550
  288    HB2  SER   2           HB2      SER   2 -21.323   0.220   1.703
  289    HB3  SER   2           HB1      SER   2 -22.622   0.094   2.892
  290    HG   SER   2           HG       SER   2 -23.645  -0.094   0.983
  291    H    MET   3           HN       MET   3 -22.481   3.861   0.895
  292    HA   MET   3           HA       MET   3 -20.501   3.521  -1.004
  293    HB2  MET   3           HB2      MET   3 -22.604   4.773  -1.358
  294    HB3  MET   3           HB1      MET   3 -21.972   6.082  -0.371
  295    HG2  MET   3           HG2      MET   3 -21.466   6.914  -2.405
  296    HG3  MET   3           HG1      MET   3 -20.006   5.965  -2.143
  297    HE1  MET   3           HE1      MET   3 -20.556   2.850  -4.407
  298    HE2  MET   3           HE2      MET   3 -21.084   2.900  -2.727
  299    HE3  MET   3           HE3      MET   3 -19.549   3.637  -3.189
  300    H    LYS   4           HN       LYS   4 -20.590   6.089   1.495
  301    HA   LYS   4           HA       LYS   4 -17.958   6.954   0.649
  302    HB2  LYS   4           HB2      LYS   4 -18.248   8.835   2.087
  303    HB3  LYS   4           HB1      LYS   4 -19.770   8.570   1.256
  304    HG2  LYS   4           HG2      LYS   4 -20.672   7.486   3.251
  305    HG3  LYS   4           HG1      LYS   4 -19.141   7.759   4.085
  306    HD2  LYS   4           HD2      LYS   4 -19.438  10.196   3.725
  307    HD3  LYS   4           HD1      LYS   4 -21.021   9.865   3.022
  308    HE2  LYS   4           HE2      LYS   4 -21.332  10.507   5.304
  309    HE3  LYS   4           HE1      LYS   4 -21.679   8.785   5.162
  310    HZ1  LYS   4           HZ1      LYS   4 -19.478   8.303   6.040
  311    HZ2  LYS   4           HZ2      LYS   4 -20.346   9.273   7.120
  312    HZ3  LYS   4           HZ3      LYS   4 -19.138   9.955   6.158
  313    H    GLN   5           HN       GLN   5 -19.147   4.742   2.861
  314    HA   GLN   5           HA       GLN   5 -17.111   5.180   4.882
  315    HB2  GLN   5           HB2      GLN   5 -19.337   3.142   4.702
  316    HB3  GLN   5           HB1      GLN   5 -18.208   3.264   6.042
  317    HG2  GLN   5           HG2      GLN   5 -20.166   5.376   5.178
  318    HG3  GLN   5           HG1      GLN   5 -20.317   4.321   6.583
  319   HE21  GLN   5          HE21      GLN   5 -18.975   4.658   8.361
  320   HE22  GLN   5          HE22      GLN   5 -18.144   6.154   8.605
  321    H    LEU   6           HN       LEU   6 -18.143   2.682   2.603
  322    HA   LEU   6           HA       LEU   6 -15.885   1.021   2.962
  323    HB2  LEU   6           HB2      LEU   6 -17.955   1.344   0.828
  324    HB3  LEU   6           HB1      LEU   6 -16.520   0.412   0.476
  325    HG   LEU   6           HG       LEU   6 -18.517  -0.934   1.158
  326   HD11  LEU   6          HD11      LEU   6 -16.156  -1.212   3.011
  327   HD12  LEU   6          HD12      LEU   6 -16.195  -1.768   1.338
  328   HD13  LEU   6          HD13      LEU   6 -17.289  -2.473   2.528
  329   HD21  LEU   6          HD21      LEU   6 -17.980   0.279   3.865
  330   HD22  LEU   6          HD22      LEU   6 -19.104  -1.036   3.522
  331   HD23  LEU   6          HD23      LEU   6 -19.400   0.573   2.862
  332    H    GLU   7           HN       GLU   7 -16.689   3.594   0.660
  333    HA   GLU   7           HA       GLU   7 -14.276   3.597  -0.755
  334    HB2  GLU   7           HB2      GLU   7 -16.337   4.827  -1.427
  335    HB3  GLU   7           HB1      GLU   7 -16.016   5.992  -0.149
  336    HG2  GLU   7           HG2      GLU   7 -13.882   6.555  -1.227
  337    HG3  GLU   7           HG1      GLU   7 -14.264   5.433  -2.531
  338    H    ASP   8           HN       ASP   8 -15.176   5.098   2.323
  339    HA   ASP   8           HA       ASP   8 -12.932   6.737   2.661
  340    HB2  ASP   8           HB2      ASP   8 -14.899   5.503   4.465
  341    HB3  ASP   8           HB1      ASP   8 -13.343   5.851   5.211
  342    H    LYS   9           HN       LYS   9 -13.334   3.296   3.377
  343    HA   LYS   9           HA       LYS   9 -10.722   3.026   4.496
  344    HB2  LYS   9           HB2      LYS   9 -12.618   0.909   3.457
  345    HB3  LYS   9           HB1      LYS   9 -11.161   0.590   4.384
  346    HG2  LYS   9           HG2      LYS   9 -12.127   1.864   6.275
  347    HG3  LYS   9           HG1      LYS   9 -13.609   2.063   5.338
  348    HD2  LYS   9           HD2      LYS   9 -12.397  -0.582   6.132
  349    HD3  LYS   9           HD1      LYS   9 -13.729   0.210   6.970
  350    HE2  LYS   9           HE2      LYS   9 -15.064   0.100   4.905
  351    HE3  LYS   9           HE1      LYS   9 -13.733  -0.738   4.107
  352    HZ1  LYS   9           HZ1      LYS   9 -15.215  -1.720   6.482
  353    HZ2  LYS   9           HZ2      LYS   9 -13.944  -2.527   5.715
  354    HZ3  LYS   9           HZ3      LYS   9 -15.405  -2.286   4.903
  355    H    VAL  10           HN       VAL  10 -12.106   2.499   1.288
  356    HA   VAL  10           HA       VAL  10  -9.943   1.188   0.088
  357    HB   VAL  10           HB       VAL  10 -11.560   3.273  -1.363
  358   HG11  VAL  10          HG11      VAL  10 -10.337   0.667  -2.241
  359   HG12  VAL  10          HG12      VAL  10  -9.706   2.281  -2.580
  360   HG13  VAL  10          HG13      VAL  10 -11.248   1.774  -3.270
  361   HG21  VAL  10          HG21      VAL  10 -12.441   0.426  -1.076
  362   HG22  VAL  10          HG22      VAL  10 -13.329   1.786  -1.759
  363   HG23  VAL  10          HG23      VAL  10 -13.033   1.709  -0.022
  364    H    GLU  11           HN       GLU  11 -10.675   4.662   0.260
  365    HA   GLU  11           HA       GLU  11  -8.243   5.395  -1.085
  366    HB2  GLU  11           HB2      GLU  11 -10.188   7.130   0.456
  367    HB3  GLU  11           HB1      GLU  11  -8.959   7.692  -0.667
  368    HG2  GLU  11           HG2      GLU  11 -11.321   5.967  -1.378
  369    HG3  GLU  11           HG1      GLU  11 -11.190   7.701  -1.659
  370    H    GLU  12           HN       GLU  12  -9.093   4.743   2.184
  371    HA   GLU  12           HA       GLU  12  -6.967   6.256   3.374
  372    HB2  GLU  12           HB2      GLU  12  -8.981   5.608   4.654
  373    HB3  GLU  12           HB1      GLU  12  -8.522   3.919   4.499
  374    HG2  GLU  12           HG2      GLU  12  -6.492   4.341   5.773
  375    HG3  GLU  12           HG1      GLU  12  -6.922   6.045   5.907
  376    H    LEU  13           HN       LEU  13  -7.501   2.862   2.494
  377    HA   LEU  13           HA       LEU  13  -4.868   2.011   3.086
  378    HB2  LEU  13           HB2      LEU  13  -6.899   0.924   1.138
  379    HB3  LEU  13           HB1      LEU  13  -5.377   0.136   1.502
  380    HG   LEU  13           HG       LEU  13  -7.649   0.621   3.430
  381   HD11  LEU  13          HD11      LEU  13  -8.044  -1.176   1.829
  382   HD12  LEU  13          HD12      LEU  13  -7.812  -1.807   3.459
  383   HD13  LEU  13          HD13      LEU  13  -6.508  -1.919   2.277
  384   HD21  LEU  13          HD21      LEU  13  -4.959  -0.665   3.881
  385   HD22  LEU  13          HD22      LEU  13  -6.303  -0.685   5.022
  386   HD23  LEU  13          HD23      LEU  13  -5.533   0.842   4.594
  387    H    LEU  14           HN       LEU  14  -6.326   3.689   0.450
  388    HA   LEU  14           HA       LEU  14  -4.250   3.463  -1.457
  389    HB2  LEU  14           HB2      LEU  14  -6.635   4.329  -1.766
  390    HB3  LEU  14           HB1      LEU  14  -6.067   5.833  -1.074
  391    HG   LEU  14           HG       LEU  14  -4.351   5.926  -2.929
  392   HD11  LEU  14          HD11      LEU  14  -4.436   3.567  -3.567
  393   HD12  LEU  14          HD12      LEU  14  -4.804   4.621  -4.932
  394   HD13  LEU  14          HD13      LEU  14  -6.107   3.774  -4.098
  395   HD21  LEU  14          HD21      LEU  14  -6.352   7.307  -2.926
  396   HD22  LEU  14          HD22      LEU  14  -7.273   6.001  -3.671
  397   HD23  LEU  14          HD23      LEU  14  -5.964   6.778  -4.562
  398    H    SER  15           HN       SER  15  -4.685   5.368   1.392
  399    HA   SER  15           HA       SER  15  -2.766   7.385   0.774
  400    HB2  SER  15           HB2      SER  15  -4.640   7.787   2.341
  401    HB3  SER  15           HB1      SER  15  -3.955   6.600   3.449
  402    HG   SER  15           HG       SER  15  -2.746   9.035   2.614
  403    H    LYS  16           HN       LYS  16  -2.772   4.492   2.851
  404    HA   LYS  16           HA       LYS  16   0.008   4.752   3.431
  405    HB2  LYS  16           HB2      LYS  16  -0.106   2.438   4.284
  406    HB3  LYS  16           HB1      LYS  16  -1.298   3.508   5.007
  407    HG2  LYS  16           HG2      LYS  16  -3.021   2.544   3.541
  408    HG3  LYS  16           HG1      LYS  16  -1.813   1.453   2.863
  409    HD2  LYS  16           HD2      LYS  16  -2.534   1.585   5.788
  410    HD3  LYS  16           HD1      LYS  16  -3.243   0.444   4.646
  411    HE2  LYS  16           HE2      LYS  16  -1.098  -0.552   4.224
  412    HE3  LYS  16           HE1      LYS  16  -0.289   0.673   5.202
  413    HZ1  LYS  16           HZ1      LYS  16  -1.436  -0.162   7.146
  414    HZ2  LYS  16           HZ2      LYS  16  -0.573  -1.409   6.400
  415    HZ3  LYS  16           HZ3      LYS  16  -2.246  -1.314   6.212
  416    H    ASN  17           HN       ASN  17  -1.850   3.066   0.957
  417    HA   ASN  17           HA       ASN  17   0.203   1.679  -0.320
  418    HB2  ASN  17           HB2      ASN  17  -2.396   2.809  -1.109
  419    HB3  ASN  17           HB1      ASN  17  -1.239   2.689  -2.430
  420   HD21  ASN  17          HD21      ASN  17  -3.747   1.217  -1.760
  421   HD22  ASN  17          HD22      ASN  17  -3.303  -0.452  -1.808
  422    H    TYR  18           HN       TYR  18  -0.752   5.088  -0.544
  423    HA   TYR  18           HA       TYR  18   1.226   5.854  -2.408
  424    HB2  TYR  18           HB2      TYR  18  -0.696   7.282  -1.793
  425    HB3  TYR  18           HB1      TYR  18  -0.016   7.494  -0.185
  426    HD1  TYR  18           HD1      TYR  18   1.826   9.006   0.194
  427    HD2  TYR  18           HD2      TYR  18   0.334   8.363  -3.739
  428    HE1  TYR  18           HE1      TYR  18   3.076  10.969  -0.594
  429    HE2  TYR  18           HE2      TYR  18   1.584  10.326  -4.537
  430    HH   TYR  18           HH       TYR  18   2.528  12.410  -3.603
  431    H    HIS  19           HN       HIS  19   1.212   5.828   1.130
  432    HA   HIS  19           HA       HIS  19   3.756   6.921   1.542
  433    HB2  HIS  19           HB2      HIS  19   2.091   6.734   3.327
  434    HB3  HIS  19           HB1      HIS  19   2.209   4.980   3.273
  435    HD1  HIS  19           HD1      HIS  19   3.517   4.128   5.180
  436    HD2  HIS  19           HD2      HIS  19   4.935   7.808   3.869
  437    HE1  HIS  19           HE1      HIS  19   5.469   4.668   6.664
  438    HE2  HIS  19           HE2      HIS  19   6.210   6.969   5.952
  439    H    LEU  20           HN       LEU  20   2.760   3.502   1.444
  440    HA   LEU  20           HA       LEU  20   5.299   2.374   1.860
  441    HB2  LEU  20           HB2      LEU  20   3.093   1.220   0.163
  442    HB3  LEU  20           HB1      LEU  20   4.373   0.321   0.941
  443    HG   LEU  20           HG       LEU  20   2.015   1.648   2.169
  444   HD11  LEU  20          HD11      LEU  20   1.593  -0.537   1.316
  445   HD12  LEU  20          HD12      LEU  20   1.591  -0.583   3.079
  446   HD13  LEU  20          HD13      LEU  20   2.988  -1.178   2.182
  447   HD21  LEU  20          HD21      LEU  20   3.906   2.198   3.585
  448   HD22  LEU  20          HD22      LEU  20   4.397   0.504   3.608
  449   HD23  LEU  20          HD23      LEU  20   2.887   0.994   4.374
  450    H    GLU  21           HN       GLU  21   3.502   2.950  -1.117
  451    HA   GLU  21           HA       GLU  21   5.359   1.922  -2.915
  452    HB2  GLU  21           HB2      GLU  21   2.909   2.904  -3.202
  453    HB3  GLU  21           HB1      GLU  21   3.803   4.325  -3.720
  454    HG2  GLU  21           HG2      GLU  21   4.966   2.941  -5.396
  455    HG3  GLU  21           HG1      GLU  21   3.966   1.569  -4.908
  456    H    ASN  22           HN       ASN  22   5.006   5.283  -1.797
  457    HA   ASN  22           HA       ASN  22   7.244   6.249  -3.249
  458    HB2  ASN  22           HB2      ASN  22   5.627   7.324  -0.962
  459    HB3  ASN  22           HB1      ASN  22   7.111   8.135  -1.456
  460   HD21  ASN  22          HD21      ASN  22   7.195   9.182  -3.419
  461   HD22  ASN  22          HD22      ASN  22   5.782   9.516  -4.360
  462    H    GLU  23           HN       GLU  23   6.863   4.829  -0.050
  463    HA   GLU  23           HA       GLU  23   9.470   5.460   0.872
  464    HB2  GLU  23           HB2      GLU  23   7.561   4.672   2.308
  465    HB3  GLU  23           HB1      GLU  23   7.812   3.059   1.657
  466    HG2  GLU  23           HG2      GLU  23   8.866   3.260   3.816
  467    HG3  GLU  23           HG1      GLU  23  10.088   3.054   2.561
  468    H    VAL  24           HN       VAL  24   8.136   2.679  -0.871
  469    HA   VAL  24           HA       VAL  24  10.443   1.097  -0.984
  470    HB   VAL  24           HB       VAL  24   8.321   1.364  -3.132
  471   HG11  VAL  24          HG11      VAL  24  10.269  -0.867  -2.568
  472   HG12  VAL  24          HG12      VAL  24  10.347   0.257  -3.927
  473   HG13  VAL  24          HG13      VAL  24   9.007  -0.884  -3.801
  474   HG21  VAL  24          HG21      VAL  24   8.478  -0.560  -0.818
  475   HG22  VAL  24          HG22      VAL  24   7.263  -0.572  -2.095
  476   HG23  VAL  24          HG23      VAL  24   7.346   0.784  -0.969
  477    H    ALA  25           HN       ALA  25   9.256   3.592  -3.214
  478    HA   ALA  25           HA       ALA  25  11.267   3.398  -5.143
  479    HB1  ALA  25           HB1      ALA  25   9.171   4.633  -5.484
  480    HB2  ALA  25           HB2      ALA  25  10.577   5.633  -5.853
  481    HB3  ALA  25           HB3      ALA  25   9.709   5.857  -4.333
  482    H    ARG  26           HN       ARG  26  11.121   5.261  -2.158
  483    HA   ARG  26           HA       ARG  26  13.506   6.729  -2.527
  484    HB2  ARG  26           HB2      ARG  26  11.777   7.297  -0.854
  485    HB3  ARG  26           HB1      ARG  26  12.192   5.850   0.052
  486    HG2  ARG  26           HG2      ARG  26  14.440   6.734   0.433
  487    HG3  ARG  26           HG1      ARG  26  14.012   8.192  -0.466
  488    HD2  ARG  26           HD2      ARG  26  12.733   7.214   2.082
  489    HD3  ARG  26           HD1      ARG  26  13.828   8.587   1.923
  490    HE   ARG  26           HE       ARG  26  11.842   9.237   0.230
  491   HH11  ARG  26          HH11      ARG  26  11.841   8.177   3.566
  492   HH12  ARG  26          HH12      ARG  26  10.397   9.047   3.973
  493   HH21  ARG  26          HH21      ARG  26   9.936  10.369   0.757
  494   HH22  ARG  26          HH22      ARG  26   9.307  10.288   2.372
  495    H    LEU  27           HN       LEU  27  12.849   3.746  -0.703
  496    HA   LEU  27           HA       LEU  27  15.499   3.254   0.102
  497    HB2  LEU  27           HB2      LEU  27  13.014   1.636  -0.115
  498    HB3  LEU  27           HB1      LEU  27  14.527   0.781   0.025
  499    HG   LEU  27           HG       LEU  27  14.947   1.613   2.185
  500   HD11  LEU  27          HD11      LEU  27  12.667   3.546   1.801
  501   HD12  LEU  27          HD12      LEU  27  14.381   3.960   1.800
  502   HD13  LEU  27          HD13      LEU  27  13.625   3.345   3.269
  503   HD21  LEU  27          HD21      LEU  27  11.998   1.079   1.938
  504   HD22  LEU  27          HD22      LEU  27  12.919   1.038   3.441
  505   HD23  LEU  27          HD23      LEU  27  13.270  -0.120   2.159
  506    H    LYS  28           HN       LYS  28  13.715   2.366  -2.793
  507    HA   LYS  28           HA       LYS  28  15.526   0.487  -3.811
  508    HB2  LYS  28           HB2      LYS  28  13.195   0.807  -4.609
  509    HB3  LYS  28           HB1      LYS  28  13.688   2.310  -5.368
  510    HG2  LYS  28           HG2      LYS  28  13.600   0.665  -7.065
  511    HG3  LYS  28           HG1      LYS  28  15.302   0.983  -6.750
  512    HD2  LYS  28           HD2      LYS  28  14.012  -1.228  -5.244
  513    HD3  LYS  28           HD1      LYS  28  14.318  -1.485  -6.960
  514    HE2  LYS  28           HE2      LYS  28  16.372  -0.719  -4.886
  515    HE3  LYS  28           HE1      LYS  28  16.161  -2.317  -5.590
  516    HZ1  LYS  28           HZ1      LYS  28  16.956   0.146  -7.046
  517    HZ2  LYS  28           HZ2      LYS  28  16.699  -1.364  -7.759
  518    HZ3  LYS  28           HZ3      LYS  28  17.963  -1.156  -6.656
  519    H    LYS  29           HN       LYS  29  15.526   3.975  -3.864
  520    HA   LYS  29           HA       LYS  29  17.537   4.251  -5.875
  521    HB2  LYS  29           HB2      LYS  29  16.631   6.150  -3.709
  522    HB3  LYS  29           HB1      LYS  29  17.761   6.573  -4.985
  523    HG2  LYS  29           HG2      LYS  29  14.907   5.703  -5.392
  524    HG3  LYS  29           HG1      LYS  29  15.502   7.366  -5.456
  525    HD2  LYS  29           HD2      LYS  29  17.019   6.679  -7.313
  526    HD3  LYS  29           HD1      LYS  29  16.234   5.091  -7.301
  527    HE2  LYS  29           HE2      LYS  29  15.263   6.490  -9.026
  528    HE3  LYS  29           HE1      LYS  29  14.077   6.180  -7.759
  529    HZ1  LYS  29           HZ1      LYS  29  15.702   8.654  -8.005
  530    HZ2  LYS  29           HZ2      LYS  29  14.504   8.360  -6.848
  531    HZ3  LYS  29           HZ3      LYS  29  14.087   8.502  -8.479
  532    H    LEU  30           HN       LEU  30  17.531   3.911  -2.390
  533    HA   LEU  30           HA       LEU  30  20.338   4.394  -2.090
  534    HB2  LEU  30           HB2      LEU  30  18.195   3.340  -0.276
  535    HB3  LEU  30           HB1      LEU  30  19.880   3.224   0.190
  536    HG   LEU  30           HG       LEU  30  20.060   5.703  -0.049
  537   HD11  LEU  30          HD11      LEU  30  17.066   5.576  -0.327
  538   HD12  LEU  30          HD12      LEU  30  18.205   6.070  -1.579
  539   HD13  LEU  30          HD13      LEU  30  18.029   7.036  -0.115
  540   HD21  LEU  30          HD21      LEU  30  18.883   6.218   2.029
  541   HD22  LEU  30          HD22      LEU  30  19.735   4.678   2.129
  542   HD23  LEU  30          HD23      LEU  30  17.987   4.704   1.895
  543    H    VAL  31           HN       VAL  31  18.293   1.607  -2.575
  544    HA   VAL  31           HA       VAL  31  20.635  -0.153  -2.668
  545    HB   VAL  31           HB       VAL  31  17.775  -0.955  -3.234
  546   HG11  VAL  31          HG11      VAL  31  19.492  -2.545  -3.909
  547   HG12  VAL  31          HG12      VAL  31  18.544  -3.175  -2.561
  548   HG13  VAL  31          HG13      VAL  31  20.161  -2.530  -2.277
  549   HG21  VAL  31          HG21      VAL  31  19.154  -0.941  -0.554
  550   HG22  VAL  31          HG22      VAL  31  17.574  -1.645  -0.898
  551   HG23  VAL  31          HG23      VAL  31  17.814   0.098  -1.039
  552    H    GLY  32           HN       GLY  32  20.345   2.013  -4.493
  553    HA2  GLY  32           HA2      GLY  32  20.120   0.548  -7.034
  554    HA3  GLY  32           HA1      GLY  32  19.257   2.067  -6.812
  555    H    GLU  33           HN       GLU  33  20.959   3.705  -5.632
  556    HA   GLU  33           HA       GLU  33  23.198   3.867  -7.532
  557    HB2  GLU  33           HB2      GLU  33  21.795   6.055  -5.985
  558    HB3  GLU  33           HB1      GLU  33  23.160   6.299  -7.064
  559    HG2  GLU  33           HG2      GLU  33  21.841   5.558  -8.951
  560    HG3  GLU  33           HG1      GLU  33  20.479   5.211  -7.886
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -24.717  -5.001  -7.250
    2    H2   GLY   1           HT2      GLY   1 -24.692  -6.678  -7.039
    3    H3   GLY   1           HT3      GLY   1 -23.245  -5.831  -7.258
    4    HA2  GLY   1           HA1      GLY   1 -25.069  -5.552  -4.935
    5    HA3  GLY   1           HA2      GLY   1 -23.555  -6.447  -4.939
    6    H    SER   2           HN       SER   2 -23.164  -4.891  -3.107
    7    HA   SER   2           HA       SER   2 -21.843  -2.514  -4.197
    8    HB2  SER   2           HB2      SER   2 -22.597  -1.288  -2.084
    9    HB3  SER   2           HB1      SER   2 -23.836  -1.581  -3.306
   10    HG   SER   2           HG       SER   2 -24.495  -3.409  -2.071
   11    H    MET   3           HN       MET   3 -22.293  -4.279  -1.133
   12    HA   MET   3           HA       MET   3 -20.015  -3.355   0.124
   13    HB2  MET   3           HB2      MET   3 -21.603  -5.876   0.485
   14    HB3  MET   3           HB1      MET   3 -20.207  -5.517   1.493
   15    HG2  MET   3           HG2      MET   3 -22.641  -3.772   1.198
   16    HG3  MET   3           HG1      MET   3 -22.313  -4.858   2.548
   17    HE1  MET   3           HE1      MET   3 -22.953  -1.700   2.817
   18    HE2  MET   3           HE2      MET   3 -21.799  -1.269   4.080
   19    HE3  MET   3           HE3      MET   3 -22.701  -2.780   4.189
   20    H    LYS   4           HN       LYS   4 -20.331  -6.338  -1.802
   21    HA   LYS   4           HA       LYS   4 -17.636  -7.142  -1.237
   22    HB2  LYS   4           HB2      LYS   4 -19.563  -8.167  -3.329
   23    HB3  LYS   4           HB1      LYS   4 -18.060  -8.945  -2.855
   24    HG2  LYS   4           HG2      LYS   4 -18.934  -9.269  -0.600
   25    HG3  LYS   4           HG1      LYS   4 -20.443  -8.491  -1.073
   26    HD2  LYS   4           HD2      LYS   4 -20.851 -10.235  -2.716
   27    HD3  LYS   4           HD1      LYS   4 -19.312 -10.997  -2.310
   28    HE2  LYS   4           HE2      LYS   4 -21.629 -10.612  -0.420
   29    HE3  LYS   4           HE1      LYS   4 -21.221 -12.118  -1.241
   30    HZ1  LYS   4           HZ1      LYS   4 -20.368 -12.131   0.993
   31    HZ2  LYS   4           HZ2      LYS   4 -19.534 -10.687   0.739
   32    HZ3  LYS   4           HZ3      LYS   4 -19.073 -12.087  -0.092
   33    H    GLN   5           HN       GLN   5 -19.068  -5.072  -3.524
   34    HA   GLN   5           HA       GLN   5 -16.955  -5.387  -5.492
   35    HB2  GLN   5           HB2      GLN   5 -19.397  -3.602  -5.469
   36    HB3  GLN   5           HB1      GLN   5 -18.253  -3.726  -6.799
   37    HG2  GLN   5           HG2      GLN   5 -18.809  -6.103  -7.038
   38    HG3  GLN   5           HG1      GLN   5 -19.985  -5.946  -5.734
   39   HE21  GLN   5          HE21      GLN   5 -19.431  -3.466  -8.123
   40   HE22  GLN   5          HE22      GLN   5 -20.952  -3.629  -8.925
   41    H    LEU   6           HN       LEU   6 -18.231  -3.026  -3.209
   42    HA   LEU   6           HA       LEU   6 -16.176  -1.113  -3.570
   43    HB2  LEU   6           HB2      LEU   6 -18.123  -1.740  -1.382
   44    HB3  LEU   6           HB1      LEU   6 -16.797  -0.652  -1.046
   45    HG   LEU   6           HG       LEU   6 -18.955   0.474  -1.619
   46   HD11  LEU   6          HD11      LEU   6 -17.979   2.170  -3.005
   47   HD12  LEU   6          HD12      LEU   6 -16.731   1.061  -3.563
   48   HD13  LEU   6          HD13      LEU   6 -16.757   1.579  -1.878
   49   HD21  LEU   6          HD21      LEU   6 -19.653   0.569  -3.953
   50   HD22  LEU   6          HD22      LEU   6 -19.746  -1.077  -3.326
   51   HD23  LEU   6          HD23      LEU   6 -18.413  -0.609  -4.379
   52    H    GLU   7           HN       GLU   7 -16.597  -3.894  -1.422
   53    HA   GLU   7           HA       GLU   7 -14.119  -3.782  -0.119
   54    HB2  GLU   7           HB2      GLU   7 -16.027  -5.268   0.512
   55    HB3  GLU   7           HB1      GLU   7 -15.657  -6.272  -0.881
   56    HG2  GLU   7           HG2      GLU   7 -13.433  -6.726   0.065
   57    HG3  GLU   7           HG1      GLU   7 -13.860  -5.766   1.481
   58    H    ASP   8           HN       ASP   8 -15.056  -5.119  -3.270
   59    HA   ASP   8           HA       ASP   8 -12.666  -6.394  -3.941
   60    HB2  ASP   8           HB2      ASP   8 -14.725  -4.979  -5.589
   61    HB3  ASP   8           HB1      ASP   8 -13.230  -5.509  -6.349
   62    H    LYS   9           HN       LYS   9 -13.473  -2.969  -4.048
   63    HA   LYS   9           HA       LYS   9 -11.032  -2.149  -5.273
   64    HB2  LYS   9           HB2      LYS   9 -12.921  -0.523  -3.558
   65    HB3  LYS   9           HB1      LYS   9 -11.702   0.112  -4.653
   66    HG2  LYS   9           HG2      LYS   9 -12.912  -0.820  -6.553
   67    HG3  LYS   9           HG1      LYS   9 -14.129  -1.478  -5.457
   68    HD2  LYS   9           HD2      LYS   9 -14.647   0.810  -4.699
   69    HD3  LYS   9           HD1      LYS   9 -13.465   1.441  -5.847
   70    HE2  LYS   9           HE2      LYS   9 -14.758   0.445  -7.688
   71    HE3  LYS   9           HE1      LYS   9 -15.954  -0.122  -6.524
   72    HZ1  LYS   9           HZ1      LYS   9 -15.259   2.715  -7.065
   73    HZ2  LYS   9           HZ2      LYS   9 -16.378   2.191  -5.915
   74    HZ3  LYS   9           HZ3      LYS   9 -16.670   1.925  -7.558
   75    H    VAL  10           HN       VAL  10 -12.222  -2.232  -1.942
   76    HA   VAL  10           HA       VAL  10 -10.043  -1.036  -0.676
   77    HB   VAL  10           HB       VAL  10 -11.607  -3.294   0.557
   78   HG11  VAL  10          HG11      VAL  10 -11.273  -2.019   2.620
   79   HG12  VAL  10          HG12      VAL  10 -10.377  -0.801   1.710
   80   HG13  VAL  10          HG13      VAL  10  -9.742  -2.442   1.854
   81   HG21  VAL  10          HG21      VAL  10 -13.351  -1.813   1.198
   82   HG22  VAL  10          HG22      VAL  10 -13.149  -1.661  -0.548
   83   HG23  VAL  10          HG23      VAL  10 -12.497  -0.427   0.530
   84    H    GLU  11           HN       GLU  11 -10.718  -4.505  -1.152
   85    HA   GLU  11           HA       GLU  11  -8.285  -5.340   0.069
   86    HB2  GLU  11           HB2      GLU  11 -10.341  -6.740  -0.072
   87    HB3  GLU  11           HB1      GLU  11 -10.084  -6.901  -1.802
   88    HG2  GLU  11           HG2      GLU  11  -7.914  -7.982  -1.345
   89    HG3  GLU  11           HG1      GLU  11  -8.260  -7.887   0.380
   90    H    GLU  12           HN       GLU  12  -9.089  -4.330  -3.148
   91    HA   GLU  12           HA       GLU  12  -6.943  -5.568  -4.523
   92    HB2  GLU  12           HB2      GLU  12  -8.888  -4.523  -5.669
   93    HB3  GLU  12           HB1      GLU  12  -8.307  -2.942  -5.164
   94    HG2  GLU  12           HG2      GLU  12  -6.236  -3.330  -6.439
   95    HG3  GLU  12           HG1      GLU  12  -6.894  -4.867  -6.996
   96    H    LEU  13           HN       LEU  13  -7.362  -2.387  -3.031
   97    HA   LEU  13           HA       LEU  13  -4.679  -1.547  -3.386
   98    HB2  LEU  13           HB2      LEU  13  -6.716  -0.715  -1.318
   99    HB3  LEU  13           HB1      LEU  13  -5.207   0.118  -1.636
  100    HG   LEU  13           HG       LEU  13  -7.554  -0.141  -3.515
  101   HD11  LEU  13          HD11      LEU  13  -6.316   2.241  -2.153
  102   HD12  LEU  13          HD12      LEU  13  -7.846   1.480  -1.718
  103   HD13  LEU  13          HD13      LEU  13  -7.670   2.278  -3.282
  104   HD21  LEU  13          HD21      LEU  13  -4.862   1.143  -3.946
  105   HD22  LEU  13          HD22      LEU  13  -6.255   1.314  -5.014
  106   HD23  LEU  13          HD23      LEU  13  -5.504  -0.267  -4.791
  107    H    LEU  14           HN       LEU  14  -6.377  -3.355  -0.931
  108    HA   LEU  14           HA       LEU  14  -4.420  -3.520   1.060
  109    HB2  LEU  14           HB2      LEU  14  -6.844  -4.327   1.083
  110    HB3  LEU  14           HB1      LEU  14  -6.271  -5.751   0.244
  111    HG   LEU  14           HG       LEU  14  -4.711  -6.146   2.199
  112   HD11  LEU  14          HD11      LEU  14  -5.261  -5.090   4.303
  113   HD12  LEU  14          HD12      LEU  14  -6.517  -4.132   3.520
  114   HD13  LEU  14          HD13      LEU  14  -4.821  -3.865   3.113
  115   HD21  LEU  14          HD21      LEU  14  -6.729  -7.451   1.864
  116   HD22  LEU  14          HD22      LEU  14  -7.689  -6.209   2.669
  117   HD23  LEU  14          HD23      LEU  14  -6.490  -7.127   3.580
  118    H    SER  15           HN       SER  15  -4.758  -5.137  -1.983
  119    HA   SER  15           HA       SER  15  -3.021  -7.317  -1.456
  120    HB2  SER  15           HB2      SER  15  -3.974  -6.181  -4.096
  121    HB3  SER  15           HB1      SER  15  -3.171  -7.737  -3.883
  122    HG   SER  15           HG       SER  15  -5.637  -6.977  -2.676
  123    H    LYS  16           HN       LYS  16  -2.600  -4.234  -3.234
  124    HA   LYS  16           HA       LYS  16   0.185  -4.828  -3.600
  125    HB2  LYS  16           HB2      LYS  16   0.424  -2.592  -4.535
  126    HB3  LYS  16           HB1      LYS  16  -0.890  -3.476  -5.290
  127    HG2  LYS  16           HG2      LYS  16  -2.507  -2.194  -3.988
  128    HG3  LYS  16           HG1      LYS  16  -1.183  -1.316  -3.209
  129    HD2  LYS  16           HD2      LYS  16  -0.449  -0.511  -5.417
  130    HD3  LYS  16           HD1      LYS  16  -1.810  -1.348  -6.163
  131    HE2  LYS  16           HE2      LYS  16  -3.347   0.037  -4.814
  132    HE3  LYS  16           HE1      LYS  16  -1.957   0.911  -4.172
  133    HZ1  LYS  16           HZ1      LYS  16  -2.797   0.797  -7.021
  134    HZ2  LYS  16           HZ2      LYS  16  -1.406   1.574  -6.452
  135    HZ3  LYS  16           HZ3      LYS  16  -2.930   2.130  -5.986
  136    H    ASN  17           HN       ASN  17  -1.730  -2.979  -1.302
  137    HA   ASN  17           HA       ASN  17   0.270  -1.780   0.215
  138    HB2  ASN  17           HB2      ASN  17  -2.434  -2.818   0.727
  139    HB3  ASN  17           HB1      ASN  17  -1.390  -2.840   2.143
  140   HD21  ASN  17          HD21      ASN  17  -3.756  -1.226   1.407
  141   HD22  ASN  17          HD22      ASN  17  -3.254   0.417   1.586
  142    H    TYR  18           HN       TYR  18  -0.942  -5.106   0.275
  143    HA   TYR  18           HA       TYR  18   0.727  -6.120   2.281
  144    HB2  TYR  18           HB2      TYR  18  -1.155  -7.387   1.426
  145    HB3  TYR  18           HB1      TYR  18  -0.423  -7.473  -0.170
  146    HD1  TYR  18           HD1      TYR  18   0.156  -8.495   3.364
  147    HD2  TYR  18           HD2      TYR  18   0.872  -9.314  -0.747
  148    HE1  TYR  18           HE1      TYR  18   1.216 -10.624   3.979
  149    HE2  TYR  18           HE2      TYR  18   1.937 -11.446  -0.142
  150    HH   TYR  18           HH       TYR  18   3.028 -12.480   1.770
  151    H    HIS  19           HN       HIS  19   1.316  -5.622  -1.149
  152    HA   HIS  19           HA       HIS  19   3.814  -7.052  -1.108
  153    HB2  HIS  19           HB2      HIS  19   2.336  -5.500  -3.211
  154    HB3  HIS  19           HB1      HIS  19   3.989  -6.043  -3.477
  155    HD1  HIS  19           HD1      HIS  19   0.473  -7.281  -3.233
  156    HD2  HIS  19           HD2      HIS  19   4.299  -8.826  -3.766
  157    HE1  HIS  19           HE1      HIS  19   0.149  -9.663  -3.965
  158    HE2  HIS  19           HE2      HIS  19   2.470 -10.527  -4.427
  159    H    LEU  20           HN       LEU  20   2.850  -3.636  -1.356
  160    HA   LEU  20           HA       LEU  20   5.401  -2.512  -1.602
  161    HB2  LEU  20           HB2      LEU  20   3.129  -1.313  -0.028
  162    HB3  LEU  20           HB1      LEU  20   4.439  -0.445  -0.786
  163    HG   LEU  20           HG       LEU  20   2.076  -1.737  -2.038
  164   HD11  LEU  20          HD11      LEU  20   1.774   0.476  -3.044
  165   HD12  LEU  20          HD12      LEU  20   3.178   1.044  -2.140
  166   HD13  LEU  20          HD13      LEU  20   1.736   0.499  -1.281
  167   HD21  LEU  20          HD21      LEU  20   4.538  -0.758  -3.468
  168   HD22  LEU  20          HD22      LEU  20   3.025  -1.214  -4.249
  169   HD23  LEU  20          HD23      LEU  20   3.974  -2.428  -3.392
  170    H    GLU  21           HN       GLU  21   3.426  -3.086   1.262
  171    HA   GLU  21           HA       GLU  21   5.177  -2.035   3.158
  172    HB2  GLU  21           HB2      GLU  21   2.695  -3.033   3.287
  173    HB3  GLU  21           HB1      GLU  21   3.572  -4.404   3.952
  174    HG2  GLU  21           HG2      GLU  21   4.547  -2.971   5.659
  175    HG3  GLU  21           HG1      GLU  21   3.702  -1.578   4.979
  176    H    ASN  22           HN       ASN  22   4.984  -5.340   1.880
  177    HA   ASN  22           HA       ASN  22   7.105  -6.314   3.538
  178    HB2  ASN  22           HB2      ASN  22   5.716  -7.422   1.107
  179    HB3  ASN  22           HB1      ASN  22   7.104  -8.233   1.827
  180   HD21  ASN  22          HD21      ASN  22   4.362  -9.139   1.576
  181   HD22  ASN  22          HD22      ASN  22   3.816  -9.469   3.183
  182    H    GLU  23           HN       GLU  23   6.870  -4.968   0.296
  183    HA   GLU  23           HA       GLU  23   9.504  -5.529  -0.544
  184    HB2  GLU  23           HB2      GLU  23   7.637  -4.739  -2.016
  185    HB3  GLU  23           HB1      GLU  23   7.805  -3.143  -1.300
  186    HG2  GLU  23           HG2      GLU  23   8.933  -3.098  -3.371
  187    HG3  GLU  23           HG1      GLU  23  10.169  -3.122  -2.116
  188    H    VAL  24           HN       VAL  24   8.088  -2.763   1.159
  189    HA   VAL  24           HA       VAL  24  10.365  -1.155   1.362
  190    HB   VAL  24           HB       VAL  24   8.137  -1.464   3.397
  191   HG11  VAL  24          HG11      VAL  24   8.765   0.766   4.154
  192   HG12  VAL  24          HG12      VAL  24  10.093   0.792   2.993
  193   HG13  VAL  24          HG13      VAL  24  10.110  -0.363   4.327
  194   HG21  VAL  24          HG21      VAL  24   7.140   0.491   2.331
  195   HG22  VAL  24          HG22      VAL  24   7.290  -0.848   1.194
  196   HG23  VAL  24          HG23      VAL  24   8.429   0.498   1.127
  197    H    ALA  25           HN       ALA  25   9.173  -3.728   3.483
  198    HA   ALA  25           HA       ALA  25  10.935  -3.389   5.608
  199    HB1  ALA  25           HB1      ALA  25   9.675  -5.955   4.645
  200    HB2  ALA  25           HB2      ALA  25   8.918  -4.776   5.715
  201    HB3  ALA  25           HB3      ALA  25  10.342  -5.667   6.252
  202    H    ARG  26           HN       ARG  26  11.228  -5.645   2.856
  203    HA   ARG  26           HA       ARG  26  13.754  -6.629   3.671
  204    HB2  ARG  26           HB2      ARG  26  13.895  -7.578   1.387
  205    HB3  ARG  26           HB1      ARG  26  12.391  -7.960   2.207
  206    HG2  ARG  26           HG2      ARG  26  11.345  -6.061   0.936
  207    HG3  ARG  26           HG1      ARG  26  12.837  -5.979  -0.006
  208    HD2  ARG  26           HD2      ARG  26  11.193  -7.318  -1.176
  209    HD3  ARG  26           HD1      ARG  26  12.535  -8.333  -0.648
  210    HE   ARG  26           HE       ARG  26  10.543  -8.400   1.320
  211   HH11  ARG  26          HH11      ARG  26  11.082  -9.478  -1.962
  212   HH12  ARG  26          HH12      ARG  26  10.005 -10.830  -1.829
  213   HH21  ARG  26          HH21      ARG  26   9.125 -10.189   1.506
  214   HH22  ARG  26          HH22      ARG  26   8.899 -11.238   0.142
  215    H    LEU  27           HN       LEU  27  12.784  -4.000   1.543
  216    HA   LEU  27           HA       LEU  27  15.325  -3.316   0.556
  217    HB2  LEU  27           HB2      LEU  27  12.711  -1.978   0.861
  218    HB3  LEU  27           HB1      LEU  27  14.095  -0.915   0.736
  219    HG   LEU  27           HG       LEU  27  14.542  -1.536  -1.465
  220   HD11  LEU  27          HD11      LEU  27  13.651  -3.497  -2.576
  221   HD12  LEU  27          HD12      LEU  27  12.802  -3.969  -1.103
  222   HD13  LEU  27          HD13      LEU  27  14.565  -3.960  -1.143
  223   HD21  LEU  27          HD21      LEU  27  11.576  -1.636  -1.010
  224   HD22  LEU  27          HD22      LEU  27  12.309  -1.543  -2.608
  225   HD23  LEU  27          HD23      LEU  27  12.562  -0.241  -1.447
  226    H    LYS  28           HN       LYS  28  13.587  -2.270   3.469
  227    HA   LYS  28           HA       LYS  28  15.632  -0.526   4.378
  228    HB2  LYS  28           HB2      LYS  28  13.262  -1.797   5.719
  229    HB3  LYS  28           HB1      LYS  28  14.409  -0.823   6.628
  230    HG2  LYS  28           HG2      LYS  28  13.353   0.368   4.152
  231    HG3  LYS  28           HG1      LYS  28  12.207   0.163   5.471
  232    HD2  LYS  28           HD2      LYS  28  13.258   2.386   5.478
  233    HD3  LYS  28           HD1      LYS  28  13.615   1.480   6.943
  234    HE2  LYS  28           HE2      LYS  28  15.543   1.384   4.665
  235    HE3  LYS  28           HE1      LYS  28  15.483   2.825   5.672
  236    HZ1  LYS  28           HZ1      LYS  28  15.953   0.067   6.676
  237    HZ2  LYS  28           HZ2      LYS  28  15.941   1.472   7.610
  238    HZ3  LYS  28           HZ3      LYS  28  17.148   1.239   6.448
  239    H    LYS  29           HN       LYS  29  15.408  -3.909   4.339
  240    HA   LYS  29           HA       LYS  29  17.129  -4.405   6.581
  241    HB2  LYS  29           HB2      LYS  29  15.613  -6.146   5.811
  242    HB3  LYS  29           HB1      LYS  29  16.345  -6.122   4.217
  243    HG2  LYS  29           HG2      LYS  29  17.317  -7.985   5.105
  244    HG3  LYS  29           HG1      LYS  29  18.516  -6.763   5.531
  245    HD2  LYS  29           HD2      LYS  29  16.305  -7.558   7.411
  246    HD3  LYS  29           HD1      LYS  29  17.835  -8.441   7.336
  247    HE2  LYS  29           HE2      LYS  29  19.031  -6.345   7.858
  248    HE3  LYS  29           HE1      LYS  29  17.482  -5.517   7.991
  249    HZ1  LYS  29           HZ1      LYS  29  18.328  -6.175  10.153
  250    HZ2  LYS  29           HZ2      LYS  29  18.359  -7.794   9.676
  251    HZ3  LYS  29           HZ3      LYS  29  16.881  -6.979   9.807
  252    H    LEU  30           HN       LEU  30  17.481  -4.032   3.111
  253    HA   LEU  30           HA       LEU  30  20.320  -4.438   3.119
  254    HB2  LEU  30           HB2      LEU  30  18.335  -3.518   1.063
  255    HB3  LEU  30           HB1      LEU  30  20.055  -3.372   0.765
  256    HG   LEU  30           HG       LEU  30  20.285  -5.824   1.076
  257   HD11  LEU  30          HD11      LEU  30  18.304  -7.236   1.047
  258   HD12  LEU  30          HD12      LEU  30  17.276  -5.807   1.154
  259   HD13  LEU  30          HD13      LEU  30  18.348  -6.225   2.492
  260   HD21  LEU  30          HD21      LEU  30  18.306  -4.974  -1.029
  261   HD22  LEU  30          HD22      LEU  30  19.278  -6.445  -1.058
  262   HD23  LEU  30          HD23      LEU  30  20.062  -4.868  -1.151
  263    H    VAL  31           HN       VAL  31  18.119  -1.686   3.139
  264    HA   VAL  31           HA       VAL  31  20.340   0.179   3.454
  265    HB   VAL  31           HB       VAL  31  17.410   0.828   3.815
  266   HG11  VAL  31          HG11      VAL  31  19.760   2.530   2.993
  267   HG12  VAL  31          HG12      VAL  31  19.003   2.513   4.585
  268   HG13  VAL  31          HG13      VAL  31  18.096   3.082   3.185
  269   HG21  VAL  31          HG21      VAL  31  18.974   0.854   1.238
  270   HG22  VAL  31          HG22      VAL  31  17.345   1.495   1.460
  271   HG23  VAL  31          HG23      VAL  31  17.645  -0.234   1.641
  272    H    GLY  32           HN       GLY  32  20.012  -1.981   5.266
  273    HA2  GLY  32           HA2      GLY  32  19.614  -0.494   7.775
  274    HA3  GLY  32           HA1      GLY  32  18.996  -2.131   7.570
  275    H    GLU  33           HN       GLU  33  20.816  -3.627   6.610
  276    HA   GLU  33           HA       GLU  33  23.354  -3.072   7.988
  277    HB2  GLU  33           HB2      GLU  33  21.812  -5.673   7.940
  278    HB3  GLU  33           HB1      GLU  33  23.494  -5.552   8.436
  279    HG2  GLU  33           HG2      GLU  33  21.229  -4.072   9.748
  280    HG3  GLU  33           HG1      GLU  33  21.875  -5.611  10.312
  281    H1   GLY   1           HT1      GLY   1 -24.959   5.121   6.205
  282    H2   GLY   1           HT2      GLY   1 -24.898   6.799   6.006
  283    H3   GLY   1           HT3      GLY   1 -23.474   5.926   6.281
  284    HA2  GLY   1           HA1      GLY   1 -25.201   5.687   3.882
  285    HA3  GLY   1           HA2      GLY   1 -23.681   6.566   3.956
  286    H    SER   2           HN       SER   2 -23.221   5.025   2.133
  287    HA   SER   2           HA       SER   2 -21.973   2.625   3.255
  288    HB2  SER   2           HB2      SER   2 -22.649   1.425   1.100
  289    HB3  SER   2           HB1      SER   2 -23.930   1.714   2.279
  290    HG   SER   2           HG       SER   2 -24.510   3.577   1.033
  291    H    MET   3           HN       MET   3 -22.275   4.427   0.191
  292    HA   MET   3           HA       MET   3 -19.953   3.481  -0.976
  293    HB2  MET   3           HB2      MET   3 -21.502   6.020  -1.393
  294    HB3  MET   3           HB1      MET   3 -20.072   5.645  -2.345
  295    HG2  MET   3           HG2      MET   3 -22.538   3.931  -2.154
  296    HG3  MET   3           HG1      MET   3 -22.142   5.018  -3.485
  297    HE1  MET   3           HE1      MET   3 -22.811   1.865  -3.794
  298    HE2  MET   3           HE2      MET   3 -21.614   1.429  -5.013
  299    HE3  MET   3           HE3      MET   3 -22.496   2.951  -5.147
  300    H    LYS   4           HN       LYS   4 -20.328   6.459   0.953
  301    HA   LYS   4           HA       LYS   4 -17.605   7.236   0.499
  302    HB2  LYS   4           HB2      LYS   4 -19.594   8.278   2.518
  303    HB3  LYS   4           HB1      LYS   4 -18.067   9.037   2.099
  304    HG2  LYS   4           HG2      LYS   4 -18.856   9.382  -0.181
  305    HG3  LYS   4           HG1      LYS   4 -20.386   8.605   0.229
  306    HD2  LYS   4           HD2      LYS   4 -20.856  10.343   1.860
  307    HD3  LYS   4           HD1      LYS   4 -19.298  11.101   1.526
  308    HE2  LYS   4           HE2      LYS   4 -21.531  10.740  -0.466
  309    HE3  LYS   4           HE1      LYS   4 -21.157  12.235   0.385
  310    HZ1  LYS   4           HZ1      LYS   4 -20.207  12.267  -1.811
  311    HZ2  LYS   4           HZ2      LYS   4 -19.384  10.818  -1.529
  312    HZ3  LYS   4           HZ3      LYS   4 -18.963  12.211  -0.666
  313    H    GLN   5           HN       GLN   5 -19.148   5.173   2.715
  314    HA   GLN   5           HA       GLN   5 -17.113   5.453   4.767
  315    HB2  GLN   5           HB2      GLN   5 -19.568   3.688   4.635
  316    HB3  GLN   5           HB1      GLN   5 -18.474   3.792   6.008
  317    HG2  GLN   5           HG2      GLN   5 -19.023   6.171   6.250
  318    HG3  GLN   5           HG1      GLN   5 -20.146   6.036   4.900
  319   HE21  GLN   5          HE21      GLN   5 -19.713   3.528   7.285
  320   HE22  GLN   5          HE22      GLN   5 -21.262   3.700   8.033
  321    H    LEU   6           HN       LEU   6 -18.315   3.119   2.414
  322    HA   LEU   6           HA       LEU   6 -16.294   1.184   2.851
  323    HB2  LEU   6           HB2      LEU   6 -18.146   1.842   0.592
  324    HB3  LEU   6           HB1      LEU   6 -16.814   0.747   0.301
  325    HG   LEU   6           HG       LEU   6 -19.002  -0.367   0.778
  326   HD11  LEU   6          HD11      LEU   6 -18.097  -2.079   2.192
  327   HD12  LEU   6          HD12      LEU   6 -16.861  -0.985   2.807
  328   HD13  LEU   6          HD13      LEU   6 -16.827  -1.494   1.119
  329   HD21  LEU   6          HD21      LEU   6 -19.797  -0.468   3.079
  330   HD22  LEU   6          HD22      LEU   6 -19.848   1.182   2.460
  331   HD23  LEU   6          HD23      LEU   6 -18.562   0.693   3.565
  332    H    GLU   7           HN       GLU   7 -16.604   3.979   0.701
  333    HA   GLU   7           HA       GLU   7 -14.074   3.855  -0.492
  334    HB2  GLU   7           HB2      GLU   7 -15.941   5.361  -1.195
  335    HB3  GLU   7           HB1      GLU   7 -15.621   6.354   0.218
  336    HG2  GLU   7           HG2      GLU   7 -13.359   6.800  -0.629
  337    HG3  GLU   7           HG1      GLU   7 -13.730   5.849  -2.068
  338    H    ASP   8           HN       ASP   8 -15.128   5.187   2.624
  339    HA   ASP   8           HA       ASP   8 -12.754   6.435   3.399
  340    HB2  ASP   8           HB2      ASP   8 -14.896   5.034   4.954
  341    HB3  ASP   8           HB1      ASP   8 -13.426   5.539   5.777
  342    H    LYS   9           HN       LYS   9 -13.593   3.016   3.445
  343    HA   LYS   9           HA       LYS   9 -11.213   2.167   4.770
  344    HB2  LYS   9           HB2      LYS   9 -13.042   0.570   2.965
  345    HB3  LYS   9           HB1      LYS   9 -11.876  -0.085   4.104
  346    HG2  LYS   9           HG2      LYS   9 -13.157   0.846   5.959
  347    HG3  LYS   9           HG1      LYS   9 -14.322   1.521   4.818
  348    HD2  LYS   9           HD2      LYS   9 -14.824  -0.755   4.024
  349    HD3  LYS   9           HD1      LYS   9 -13.696  -1.403   5.215
  350    HE2  LYS   9           HE2      LYS   9 -15.054  -0.404   7.005
  351    HE3  LYS   9           HE1      LYS   9 -16.196   0.174   5.795
  352    HZ1  LYS   9           HZ1      LYS   9 -15.544  -2.669   6.352
  353    HZ2  LYS   9           HZ2      LYS   9 -16.611  -2.129   5.159
  354    HZ3  LYS   9           HZ3      LYS   9 -16.969  -1.870   6.788
  355    H    VAL  10           HN       VAL  10 -12.265   2.273   1.394
  356    HA   VAL  10           HA       VAL  10 -10.046   1.070   0.209
  357    HB   VAL  10           HB       VAL  10 -11.540   3.351  -1.071
  358   HG11  VAL  10          HG11      VAL  10 -11.137   2.086  -3.127
  359   HG12  VAL  10          HG12      VAL  10 -10.287   0.854  -2.191
  360   HG13  VAL  10          HG13      VAL  10  -9.632   2.490  -2.299
  361   HG21  VAL  10          HG21      VAL  10 -13.270   1.889  -1.791
  362   HG22  VAL  10          HG22      VAL  10 -13.142   1.723  -0.039
  363   HG23  VAL  10          HG23      VAL  10 -12.457   0.490  -1.100
  364    H    GLU  11           HN       GLU  11 -10.712   4.543   0.677
  365    HA   GLU  11           HA       GLU  11  -8.225   5.368  -0.435
  366    HB2  GLU  11           HB2      GLU  11 -10.274   6.785  -0.368
  367    HB3  GLU  11           HB1      GLU  11 -10.083   6.934   1.374
  368    HG2  GLU  11           HG2      GLU  11  -7.889   7.999   1.010
  369    HG3  GLU  11           HG1      GLU  11  -8.166   7.916  -0.728
  370    H    GLU  12           HN       GLU  12  -9.165   4.332   2.737
  371    HA   GLU  12           HA       GLU  12  -7.069   5.553   4.208
  372    HB2  GLU  12           HB2      GLU  12  -9.068   4.517   5.268
  373    HB3  GLU  12           HB1      GLU  12  -8.480   2.935   4.777
  374    HG2  GLU  12           HG2      GLU  12  -6.460   3.292   6.139
  375    HG3  GLU  12           HG1      GLU  12  -7.124   4.835   6.675
  376    H    LEU  13           HN       LEU  13  -7.454   2.389   2.675
  377    HA   LEU  13           HA       LEU  13  -4.796   1.523   3.137
  378    HB2  LEU  13           HB2      LEU  13  -6.752   0.718   0.982
  379    HB3  LEU  13           HB1      LEU  13  -5.264  -0.129   1.359
  380    HG   LEU  13           HG       LEU  13  -7.685   0.140   3.140
  381   HD11  LEU  13          HD11      LEU  13  -6.411  -2.245   1.820
  382   HD12  LEU  13          HD12      LEU  13  -7.916  -1.469   1.325
  383   HD13  LEU  13          HD13      LEU  13  -7.810  -2.275   2.891
  384   HD21  LEU  13          HD21      LEU  13  -5.025  -1.170   3.680
  385   HD22  LEU  13          HD22      LEU  13  -6.464  -1.331   4.687
  386   HD23  LEU  13          HD23      LEU  13  -5.688   0.242   4.504
  387    H    LEU  14           HN       LEU  14  -6.375   3.361   0.629
  388    HA   LEU  14           HA       LEU  14  -4.337   3.517  -1.279
  389    HB2  LEU  14           HB2      LEU  14  -6.750   4.345  -1.398
  390    HB3  LEU  14           HB1      LEU  14  -6.200   5.761  -0.529
  391    HG   LEU  14           HG       LEU  14  -4.556   6.153  -2.415
  392   HD11  LEU  14          HD11      LEU  14  -5.033   5.116  -4.547
  393   HD12  LEU  14          HD12      LEU  14  -6.327   4.164  -3.821
  394   HD13  LEU  14          HD13      LEU  14  -4.650   3.879  -3.348
  395   HD21  LEU  14          HD21      LEU  14  -6.573   7.475  -2.152
  396   HD22  LEU  14          HD22      LEU  14  -7.513   6.251  -3.005
  397   HD23  LEU  14          HD23      LEU  14  -6.268   7.163  -3.860
  398    H    SER  15           HN       SER  15  -4.787   5.124   1.756
  399    HA   SER  15           HA       SER  15  -3.005   7.286   1.314
  400    HB2  SER  15           HB2      SER  15  -4.098   6.147   3.896
  401    HB3  SER  15           HB1      SER  15  -3.245   7.682   3.743
  402    HG   SER  15           HG       SER  15  -5.684   6.988   2.445
  403    H    LYS  16           HN       LYS  16  -2.690   4.186   3.084
  404    HA   LYS  16           HA       LYS  16   0.083   4.759   3.570
  405    HB2  LYS  16           HB2      LYS  16   0.268   2.516   4.499
  406    HB3  LYS  16           HB1      LYS  16  -1.069   3.406   5.208
  407    HG2  LYS  16           HG2      LYS  16  -2.641   2.145   3.834
  408    HG3  LYS  16           HG1      LYS  16  -1.296   1.262   3.104
  409    HD2  LYS  16           HD2      LYS  16  -0.657   0.436   5.336
  410    HD3  LYS  16           HD1      LYS  16  -2.043   1.276   6.029
  411    HE2  LYS  16           HE2      LYS  16  -3.531  -0.085   4.608
  412    HE3  LYS  16           HE1      LYS  16  -2.124  -0.960   4.009
  413    HZ1  LYS  16           HZ1      LYS  16  -3.064  -0.874   6.822
  414    HZ2  LYS  16           HZ2      LYS  16  -1.667  -1.664   6.294
  415    HZ3  LYS  16           HZ3      LYS  16  -3.183  -2.191   5.769
  416    H    ASN  17           HN       ASN  17  -1.751   2.941   1.183
  417    HA   ASN  17           HA       ASN  17   0.299   1.732  -0.258
  418    HB2  ASN  17           HB2      ASN  17  -2.374   2.797  -0.873
  419    HB3  ASN  17           HB1      ASN  17  -1.271   2.821  -2.244
  420   HD21  ASN  17          HD21      ASN  17  -3.682   1.221  -1.613
  421   HD22  ASN  17          HD22      ASN  17  -3.187  -0.426  -1.786
  422    H    TYR  18           HN       TYR  18  -0.885   5.071  -0.353
  423    HA   TYR  18           HA       TYR  18   0.878   6.082  -2.276
  424    HB2  TYR  18           HB2      TYR  18  -1.029   7.358  -1.497
  425    HB3  TYR  18           HB1      TYR  18  -0.365   7.428   0.130
  426    HD1  TYR  18           HD1      TYR  18   0.371   8.474  -3.371
  427    HD2  TYR  18           HD2      TYR  18   0.922   9.251   0.775
  428    HE1  TYR  18           HE1      TYR  18   1.478  10.598  -3.922
  429    HE2  TYR  18           HE2      TYR  18   2.031  11.375   0.234
  430    HH   TYR  18           HH       TYR  18   3.219  12.418  -1.612
  431    H    HIS  19           HN       HIS  19   1.324   5.551   1.170
  432    HA   HIS  19           HA       HIS  19   3.831   6.968   1.238
  433    HB2  HIS  19           HB2      HIS  19   2.260   5.415   3.272
  434    HB3  HIS  19           HB1      HIS  19   3.906   5.946   3.607
  435    HD1  HIS  19           HD1      HIS  19   0.412   7.215   3.213
  436    HD2  HIS  19           HD2      HIS  19   4.222   8.717   3.936
  437    HE1  HIS  19           HE1      HIS  19   0.076   9.592   3.954
  438    HE2  HIS  19           HE2      HIS  19   2.382  10.432   4.522
  439    H    LEU  20           HN       LEU  20   2.829   3.560   1.425
  440    HA   LEU  20           HA       LEU  20   5.360   2.411   1.771
  441    HB2  LEU  20           HB2      LEU  20   3.143   1.243   0.096
  442    HB3  LEU  20           HB1      LEU  20   4.413   0.356   0.901
  443    HG   LEU  20           HG       LEU  20   2.015   1.666   2.064
  444   HD11  LEU  20          HD11      LEU  20   1.650  -0.552   3.043
  445   HD12  LEU  20          HD12      LEU  20   3.083  -1.126   2.193
  446   HD13  LEU  20          HD13      LEU  20   1.683  -0.563   1.281
  447   HD21  LEU  20          HD21      LEU  20   4.407   0.653   3.590
  448   HD22  LEU  20          HD22      LEU  20   2.864   1.116   4.309
  449   HD23  LEU  20          HD23      LEU  20   3.858   2.328   3.500
  450    H    GLU  21           HN       GLU  21   3.507   3.022  -1.167
  451    HA   GLU  21           HA       GLU  21   5.324   1.968  -2.995
  452    HB2  GLU  21           HB2      GLU  21   2.857   2.987  -3.218
  453    HB3  GLU  21           HB1      GLU  21   3.773   4.352  -3.843
  454    HG2  GLU  21           HG2      GLU  21   4.804   2.917  -5.512
  455    HG3  GLU  21           HG1      GLU  21   3.922   1.528  -4.870
  456    H    ASN  22           HN       ASN  22   5.107   5.269  -1.711
  457    HA   ASN  22           HA       ASN  22   7.304   6.232  -3.273
  458    HB2  ASN  22           HB2      ASN  22   5.834   7.339  -0.889
  459    HB3  ASN  22           HB1      ASN  22   7.250   8.143  -1.556
  460   HD21  ASN  22          HD21      ASN  22   4.515   9.078  -1.398
  461   HD22  ASN  22          HD22      ASN  22   4.021   9.408  -3.021
  462    H    GLU  23           HN       GLU  23   6.924   4.875  -0.047
  463    HA   GLU  23           HA       GLU  23   9.529   5.399   0.897
  464    HB2  GLU  23           HB2      GLU  23   7.595   4.613   2.282
  465    HB3  GLU  23           HB1      GLU  23   7.780   3.022   1.564
  466    HG2  GLU  23           HG2      GLU  23   8.824   2.961   3.684
  467    HG3  GLU  23           HG1      GLU  23  10.107   2.976   2.476
  468    H    VAL  24           HN       VAL  24   8.159   2.661  -0.882
  469    HA   VAL  24           HA       VAL  24  10.427   1.032  -1.001
  470    HB   VAL  24           HB       VAL  24   8.286   1.369  -3.124
  471   HG11  VAL  24          HG11      VAL  24   8.926  -0.861  -3.866
  472   HG12  VAL  24          HG12      VAL  24  10.205  -0.904  -2.650
  473   HG13  VAL  24          HG13      VAL  24  10.287   0.257  -3.976
  474   HG21  VAL  24          HG21      VAL  24   7.229  -0.583  -2.110
  475   HG22  VAL  24          HG22      VAL  24   7.344   0.750  -0.959
  476   HG23  VAL  24          HG23      VAL  24   8.466  -0.606  -0.853
  477    H    ALA  25           HN       ALA  25   9.342   3.628  -3.150
  478    HA   ALA  25           HA       ALA  25  11.186   3.287  -5.206
  479    HB1  ALA  25           HB1      ALA  25   9.914   5.860  -4.273
  480    HB2  ALA  25           HB2      ALA  25   9.189   4.696  -5.382
  481    HB3  ALA  25           HB3      ALA  25  10.644   5.578  -5.852
  482    H    ARG  26           HN       ARG  26  11.388   5.523  -2.426
  483    HA   ARG  26           HA       ARG  26  13.954   6.489  -3.131
  484    HB2  ARG  26           HB2      ARG  26  14.007   7.424  -0.837
  485    HB3  ARG  26           HB1      ARG  26  12.541   7.823  -1.716
  486    HG2  ARG  26           HG2      ARG  26  11.428   5.926  -0.504
  487    HG3  ARG  26           HG1      ARG  26  12.879   5.822   0.496
  488    HD2  ARG  26           HD2      ARG  26  11.204   7.169   1.608
  489    HD3  ARG  26           HD1      ARG  26  12.574   8.175   1.141
  490    HE   ARG  26           HE       ARG  26  10.658   8.269  -0.904
  491   HH11  ARG  26          HH11      ARG  26  11.084   9.330   2.401
  492   HH12  ARG  26          HH12      ARG  26  10.016  10.685   2.236
  493   HH21  ARG  26          HH21      ARG  26   9.272  10.065  -1.131
  494   HH22  ARG  26          HH22      ARG  26   8.995  11.114   0.226
  495    H    LEU  27           HN       LEU  27  12.874   3.852  -1.073
  496    HA   LEU  27           HA       LEU  27  15.367   3.146   0.023
  497    HB2  LEU  27           HB2      LEU  27  12.759   1.831  -0.400
  498    HB3  LEU  27           HB1      LEU  27  14.127   0.756  -0.222
  499    HG   LEU  27           HG       LEU  27  14.489   1.361   1.998
  500   HD11  LEU  27          HD11      LEU  27  13.566   3.325   3.084
  501   HD12  LEU  27          HD12      LEU  27  12.783   3.810   1.579
  502   HD13  LEU  27          HD13      LEU  27  14.543   3.787   1.692
  503   HD21  LEU  27          HD21      LEU  27  11.544   1.488   1.424
  504   HD22  LEU  27          HD22      LEU  27  12.210   1.381   3.050
  505   HD23  LEU  27          HD23      LEU  27  12.500   0.082   1.893
  506    H    LYS  28           HN       LYS  28  13.741   2.132  -2.960
  507    HA   LYS  28           HA       LYS  28  15.803   0.373  -3.794
  508    HB2  LYS  28           HB2      LYS  28  13.502   1.675  -5.223
  509    HB3  LYS  28           HB1      LYS  28  14.677   0.695  -6.088
  510    HG2  LYS  28           HG2      LYS  28  13.511  -0.500  -3.668
  511    HG3  LYS  28           HG1      LYS  28  12.422  -0.277  -5.033
  512    HD2  LYS  28           HD2      LYS  28  13.458  -2.504  -5.012
  513    HD3  LYS  28           HD1      LYS  28  13.882  -1.592  -6.456
  514    HE2  LYS  28           HE2      LYS  28  15.714  -1.528  -4.102
  515    HE3  LYS  28           HE1      LYS  28  15.682  -2.966  -5.116
  516    HZ1  LYS  28           HZ1      LYS  28  16.220  -0.206  -6.089
  517    HZ2  LYS  28           HZ2      LYS  28  16.232  -1.613  -7.024
  518    HZ3  LYS  28           HZ3      LYS  28  17.394  -1.395  -5.816
  519    H    LYS  29           HN       LYS  29  15.610   3.760  -3.753
  520    HA   LYS  29           HA       LYS  29  17.428   4.254  -5.917
  521    HB2  LYS  29           HB2      LYS  29  15.895   6.007  -5.198
  522    HB3  LYS  29           HB1      LYS  29  16.564   5.968  -3.577
  523    HG2  LYS  29           HG2      LYS  29  17.591   7.825  -4.414
  524    HG3  LYS  29           HG1      LYS  29  18.791   6.591  -4.805
  525    HD2  LYS  29           HD2      LYS  29  16.657   7.423  -6.758
  526    HD3  LYS  29           HD1      LYS  29  18.192   8.289  -6.624
  527    HE2  LYS  29           HE2      LYS  29  19.383   6.181  -7.106
  528    HE3  LYS  29           HE1      LYS  29  17.832   5.372  -7.304
  529    HZ1  LYS  29           HZ1      LYS  29  18.775   6.024  -9.428
  530    HZ2  LYS  29           HZ2      LYS  29  18.795   7.644  -8.947
  531    HZ3  LYS  29           HZ3      LYS  29  17.321   6.837  -9.138
  532    H    LEU  30           HN       LEU  30  17.633   3.851  -2.440
  533    HA   LEU  30           HA       LEU  30  20.473   4.233  -2.327
  534    HB2  LEU  30           HB2      LEU  30  18.396   3.322  -0.363
  535    HB3  LEU  30           HB1      LEU  30  20.101   3.160   0.008
  536    HG   LEU  30           HG       LEU  30  20.364   5.612  -0.277
  537   HD11  LEU  30          HD11      LEU  30  18.397   7.043  -0.327
  538   HD12  LEU  30          HD12      LEU  30  17.361   5.625  -0.487
  539   HD13  LEU  30          HD13      LEU  30  18.493   6.041  -1.775
  540   HD21  LEU  30          HD21      LEU  30  18.289   4.766   1.731
  541   HD22  LEU  30          HD22      LEU  30  19.271   6.227   1.814
  542   HD23  LEU  30          HD23      LEU  30  20.036   4.643   1.927
  543    H    VAL  31           HN       VAL  31  18.253   1.505  -2.462
  544    HA   VAL  31           HA       VAL  31  20.468  -0.377  -2.696
  545    HB   VAL  31           HB       VAL  31  17.548  -0.998  -3.177
  546   HG11  VAL  31          HG11      VAL  31  19.848  -2.722  -2.264
  547   HG12  VAL  31          HG12      VAL  31  19.162  -2.689  -3.888
  548   HG13  VAL  31          HG13      VAL  31  18.190  -3.259  -2.532
  549   HG21  VAL  31          HG21      VAL  31  19.005  -1.053  -0.538
  550   HG22  VAL  31          HG22      VAL  31  17.383  -1.678  -0.831
  551   HG23  VAL  31          HG23      VAL  31  17.704   0.049  -0.989
  552    H    GLY  32           HN       GLY  32  20.240   1.797  -4.506
  553    HA2  GLY  32           HA2      GLY  32  19.927   0.328  -7.042
  554    HA3  GLY  32           HA1      GLY  32  19.312   1.968  -6.850
  555    H    GLU  33           HN       GLU  33  21.104   3.445  -5.800
  556    HA   GLU  33           HA       GLU  33  23.694   2.882  -7.074
  557    HB2  GLU  33           HB2      GLU  33  22.172   5.493  -7.076
  558    HB3  GLU  33           HB1      GLU  33  23.869   5.360  -7.506
  559    HG2  GLU  33           HG2      GLU  33  21.645   3.909  -8.920
  560    HG3  GLU  33           HG1      GLU  33  22.327   5.447  -9.445
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -24.123  -5.696  -6.076
    2    H2   GLY   1           HT2      GLY   1 -25.047  -6.785  -5.172
    3    H3   GLY   1           HT3      GLY   1 -23.360  -6.873  -5.137
    4    HA2  GLY   1           HA1      GLY   1 -24.992  -4.629  -4.097
    5    HA3  GLY   1           HA2      GLY   1 -24.203  -5.858  -3.118
    6    H    SER   2           HN       SER   2 -23.675  -3.163  -2.728
    7    HA   SER   2           HA       SER   2 -21.293  -2.461  -4.203
    8    HB2  SER   2           HB2      SER   2 -21.338  -0.476  -2.573
    9    HB3  SER   2           HB1      SER   2 -22.678  -0.620  -3.713
   10    HG   SER   2           HG       SER   2 -23.548  -0.239  -1.710
   11    H    MET   3           HN       MET   3 -22.100  -3.802  -1.086
   12    HA   MET   3           HA       MET   3 -19.862  -3.084   0.387
   13    HB2  MET   3           HB2      MET   3 -21.533  -5.590   0.583
   14    HB3  MET   3           HB1      MET   3 -20.359  -5.085   1.788
   15    HG2  MET   3           HG2      MET   3 -22.821  -3.564   0.968
   16    HG3  MET   3           HG1      MET   3 -22.618  -4.497   2.449
   17    HE1  MET   3           HE1      MET   3 -20.919  -3.862   4.371
   18    HE2  MET   3           HE2      MET   3 -19.892  -2.429   4.352
   19    HE3  MET   3           HE3      MET   3 -19.576  -3.756   3.234
   20    H    LYS   4           HN       LYS   4 -20.311  -5.996  -1.615
   21    HA   LYS   4           HA       LYS   4 -17.706  -7.000  -0.927
   22    HB2  LYS   4           HB2      LYS   4 -19.723  -7.895  -2.983
   23    HB3  LYS   4           HB1      LYS   4 -18.212  -8.735  -2.662
   24    HG2  LYS   4           HG2      LYS   4 -18.915  -9.129  -0.361
   25    HG3  LYS   4           HG1      LYS   4 -20.428  -8.277  -0.675
   26    HD2  LYS   4           HD2      LYS   4 -21.007  -9.938  -2.376
   27    HD3  LYS   4           HD1      LYS   4 -19.492 -10.786  -2.067
   28    HE2  LYS   4           HE2      LYS   4 -21.362 -11.860  -0.928
   29    HE3  LYS   4           HE1      LYS   4 -20.192 -11.221   0.225
   30    HZ1  LYS   4           HZ1      LYS   4 -21.621  -9.328   0.595
   31    HZ2  LYS   4           HZ2      LYS   4 -22.483 -10.754   0.876
   32    HZ3  LYS   4           HZ3      LYS   4 -22.727  -9.888  -0.555
   33    H    GLN   5           HN       GLN   5 -18.920  -4.904  -3.346
   34    HA   GLN   5           HA       GLN   5 -16.803  -5.474  -5.237
   35    HB2  GLN   5           HB2      GLN   5 -19.066  -3.469  -5.318
   36    HB3  GLN   5           HB1      GLN   5 -17.895  -3.700  -6.610
   37    HG2  GLN   5           HG2      GLN   5 -19.872  -5.727  -5.592
   38    HG3  GLN   5           HG1      GLN   5 -19.933  -4.865  -7.130
   39   HE21  GLN   5          HE21      GLN   5 -19.829  -7.734  -6.538
   40   HE22  GLN   5          HE22      GLN   5 -18.449  -8.337  -7.391
   41    H    LEU   6           HN       LEU   6 -17.870  -2.897  -3.089
   42    HA   LEU   6           HA       LEU   6 -15.652  -1.202  -3.544
   43    HB2  LEU   6           HB2      LEU   6 -17.692  -1.493  -1.382
   44    HB3  LEU   6           HB1      LEU   6 -16.265  -0.540  -1.058
   45    HG   LEU   6           HG       LEU   6 -18.271   0.776  -1.768
   46   HD11  LEU   6          HD11      LEU   6 -15.923   1.017  -3.642
   47   HD12  LEU   6          HD12      LEU   6 -15.961   1.628  -1.989
   48   HD13  LEU   6          HD13      LEU   6 -17.066   2.281  -3.197
   49   HD21  LEU   6          HD21      LEU   6 -19.163  -0.774  -3.425
   50   HD22  LEU   6          HD22      LEU   6 -17.749  -0.510  -4.445
   51   HD23  LEU   6          HD23      LEU   6 -18.871   0.813  -4.131
   52    H    GLU   7           HN       GLU   7 -16.332  -3.781  -1.209
   53    HA   GLU   7           HA       GLU   7 -13.840  -3.758   0.081
   54    HB2  GLU   7           HB2      GLU   7 -15.793  -5.016   0.919
   55    HB3  GLU   7           HB1      GLU   7 -15.639  -6.136  -0.428
   56    HG2  GLU   7           HG2      GLU   7 -13.468  -6.850   0.383
   57    HG3  GLU   7           HG1      GLU   7 -13.561  -5.686   1.703
   58    H    ASP   8           HN       ASP   8 -14.913  -5.319  -2.932
   59    HA   ASP   8           HA       ASP   8 -12.555  -6.780  -3.435
   60    HB2  ASP   8           HB2      ASP   8 -14.620  -5.574  -5.246
   61    HB3  ASP   8           HB1      ASP   8 -13.159  -6.276  -5.931
   62    H    LYS   9           HN       LYS   9 -13.295  -3.395  -3.842
   63    HA   LYS   9           HA       LYS   9 -10.907  -2.779  -5.302
   64    HB2  LYS   9           HB2      LYS   9 -12.936  -1.425  -5.542
   65    HB3  LYS   9           HB1      LYS   9 -12.852  -0.978  -3.845
   66    HG2  LYS   9           HG2      LYS   9 -10.745   0.193  -4.256
   67    HG3  LYS   9           HG1      LYS   9 -10.828  -0.259  -5.959
   68    HD2  LYS   9           HD2      LYS   9 -12.894   1.397  -4.512
   69    HD3  LYS   9           HD1      LYS   9 -11.606   2.051  -5.523
   70    HE2  LYS   9           HE2      LYS   9 -13.798   0.184  -6.428
   71    HE3  LYS   9           HE1      LYS   9 -13.716   1.916  -6.746
   72    HZ1  LYS   9           HZ1      LYS   9 -11.801  -0.135  -7.720
   73    HZ2  LYS   9           HZ2      LYS   9 -11.651   1.528  -7.976
   74    HZ3  LYS   9           HZ3      LYS   9 -12.951   0.685  -8.648
   75    H    VAL  10           HN       VAL  10 -11.960  -2.529  -1.928
   76    HA   VAL  10           HA       VAL  10  -9.662  -1.270  -0.900
   77    HB   VAL  10           HB       VAL  10 -11.211  -3.366   0.615
   78   HG11  VAL  10          HG11      VAL  10  -9.838  -0.840   1.505
   79   HG12  VAL  10          HG12      VAL  10  -9.198  -2.478   1.672
   80   HG13  VAL  10          HG13      VAL  10 -10.653  -2.006   2.550
   81   HG21  VAL  10          HG21      VAL  10 -12.875  -1.822   1.232
   82   HG22  VAL  10          HG22      VAL  10 -12.736  -1.690  -0.522
   83   HG23  VAL  10          HG23      VAL  10 -11.996  -0.474   0.519
   84    H    GLU  11           HN       GLU  11 -10.491  -4.702  -1.263
   85    HA   GLU  11           HA       GLU  11  -8.048  -5.670  -0.166
   86    HB2  GLU  11           HB2      GLU  11 -10.428  -6.801  -0.607
   87    HB3  GLU  11           HB1      GLU  11  -9.638  -7.319  -2.084
   88    HG2  GLU  11           HG2      GLU  11  -8.540  -7.837   0.667
   89    HG3  GLU  11           HG1      GLU  11  -9.579  -8.958  -0.204
   90    H    GLU  12           HN       GLU  12  -8.934  -4.448  -3.252
   91    HA   GLU  12           HA       GLU  12  -6.950  -5.732  -4.833
   92    HB2  GLU  12           HB2      GLU  12  -9.084  -4.227  -5.451
   93    HB3  GLU  12           HB1      GLU  12  -7.858  -2.970  -5.502
   94    HG2  GLU  12           HG2      GLU  12  -7.751  -5.527  -7.084
   95    HG3  GLU  12           HG1      GLU  12  -8.346  -3.989  -7.700
   96    H    LEU  13           HN       LEU  13  -7.129  -2.655  -3.083
   97    HA   LEU  13           HA       LEU  13  -4.406  -1.954  -3.433
   98    HB2  LEU  13           HB2      LEU  13  -6.289  -1.324  -1.152
   99    HB3  LEU  13           HB1      LEU  13  -4.722  -0.578  -1.392
  100    HG   LEU  13           HG       LEU  13  -7.099  -0.320  -3.234
  101   HD11  LEU  13          HD11      LEU  13  -5.798   1.635  -1.348
  102   HD12  LEU  13          HD12      LEU  13  -7.383   0.887  -1.148
  103   HD13  LEU  13          HD13      LEU  13  -7.097   2.007  -2.479
  104   HD21  LEU  13          HD21      LEU  13  -5.003  -0.247  -4.466
  105   HD22  LEU  13          HD22      LEU  13  -4.373   0.960  -3.345
  106   HD23  LEU  13          HD23      LEU  13  -5.739   1.354  -4.389
  107    H    LEU  14           HN       LEU  14  -6.161  -3.600  -0.855
  108    HA   LEU  14           HA       LEU  14  -4.176  -4.057   0.975
  109    HB2  LEU  14           HB2      LEU  14  -6.745  -4.677   0.847
  110    HB3  LEU  14           HB1      LEU  14  -6.109  -6.247   0.407
  111    HG   LEU  14           HG       LEU  14  -4.760  -6.201   2.535
  112   HD11  LEU  14          HD11      LEU  14  -6.578  -3.880   3.160
  113   HD12  LEU  14          HD12      LEU  14  -4.834  -3.781   2.908
  114   HD13  LEU  14          HD13      LEU  14  -5.477  -4.672   4.288
  115   HD21  LEU  14          HD21      LEU  14  -6.819  -7.490   2.299
  116   HD22  LEU  14          HD22      LEU  14  -7.762  -6.082   2.783
  117   HD23  LEU  14          HD23      LEU  14  -6.656  -6.840   3.929
  118    H    SER  15           HN       SER  15  -4.755  -5.825  -2.001
  119    HA   SER  15           HA       SER  15  -3.030  -7.998  -1.313
  120    HB2  SER  15           HB2      SER  15  -3.277  -8.499  -3.839
  121    HB3  SER  15           HB1      SER  15  -4.709  -8.617  -2.814
  122    HG   SER  15           HG       SER  15  -5.519  -6.836  -3.692
  123    H    LYS  16           HN       LYS  16  -2.688  -5.093  -3.404
  124    HA   LYS  16           HA       LYS  16   0.053  -5.795  -3.886
  125    HB2  LYS  16           HB2      LYS  16   0.387  -3.670  -4.933
  126    HB3  LYS  16           HB1      LYS  16  -1.104  -4.381  -5.524
  127    HG2  LYS  16           HG2      LYS  16  -2.423  -2.790  -4.456
  128    HG3  LYS  16           HG1      LYS  16  -1.137  -2.345  -3.326
  129    HD2  LYS  16           HD2      LYS  16   0.080  -1.205  -4.993
  130    HD3  LYS  16           HD1      LYS  16  -0.867  -1.927  -6.291
  131    HE2  LYS  16           HE2      LYS  16  -2.009  -0.028  -4.247
  132    HE3  LYS  16           HE1      LYS  16  -1.363   0.482  -5.808
  133    HZ1  LYS  16           HZ1      LYS  16  -3.624  -1.401  -5.411
  134    HZ2  LYS  16           HZ2      LYS  16  -2.990  -0.933  -6.904
  135    HZ3  LYS  16           HZ3      LYS  16  -3.751   0.208  -5.918
  136    H    ASN  17           HN       ASN  17  -1.636  -3.811  -1.533
  137    HA   ASN  17           HA       ASN  17   0.533  -2.662  -0.181
  138    HB2  ASN  17           HB2      ASN  17  -2.052  -3.852   0.863
  139    HB3  ASN  17           HB1      ASN  17  -0.884  -3.059   1.910
  140   HD21  ASN  17          HD21      ASN  17  -2.302  -1.472   2.491
  141   HD22  ASN  17          HD22      ASN  17  -2.745  -0.191   1.411
  142    H    TYR  18           HN       TYR  18  -0.874  -5.921   0.038
  143    HA   TYR  18           HA       TYR  18   0.685  -6.987   2.063
  144    HB2  TYR  18           HB2      TYR  18  -1.174  -8.178   0.955
  145    HB3  TYR  18           HB1      TYR  18  -0.186  -8.371  -0.487
  146    HD1  TYR  18           HD1      TYR  18  -0.521  -9.362   3.059
  147    HD2  TYR  18           HD2      TYR  18   1.393 -10.131  -0.661
  148    HE1  TYR  18           HE1      TYR  18   0.343 -11.483   3.949
  149    HE2  TYR  18           HE2      TYR  18   2.265 -12.252   0.222
  150    HH   TYR  18           HH       TYR  18   1.135 -13.659   3.076
  151    H    HIS  19           HN       HIS  19   1.435  -6.748  -1.384
  152    HA   HIS  19           HA       HIS  19   4.049  -7.913  -1.059
  153    HB2  HIS  19           HB2      HIS  19   2.702  -6.596  -3.421
  154    HB3  HIS  19           HB1      HIS  19   4.311  -7.307  -3.484
  155    HD1  HIS  19           HD1      HIS  19   0.736  -8.153  -3.694
  156    HD2  HIS  19           HD2      HIS  19   4.332 -10.166  -3.112
  157    HE1  HIS  19           HE1      HIS  19   0.225 -10.581  -4.083
  158    HE2  HIS  19           HE2      HIS  19   2.442 -11.757  -3.871
  159    H    LEU  20           HN       LEU  20   2.763  -4.669  -1.657
  160    HA   LEU  20           HA       LEU  20   5.213  -3.375  -2.004
  161    HB2  LEU  20           HB2      LEU  20   3.313  -2.337  -2.875
  162    HB3  LEU  20           HB1      LEU  20   2.391  -2.554  -1.414
  163    HG   LEU  20           HG       LEU  20   3.416  -0.736  -0.376
  164   HD11  LEU  20          HD11      LEU  20   5.711  -1.317  -1.262
  165   HD12  LEU  20          HD12      LEU  20   5.333   0.396  -1.116
  166   HD13  LEU  20          HD13      LEU  20   5.275  -0.391  -2.698
  167   HD21  LEU  20          HD21      LEU  20   2.957   1.112  -1.824
  168   HD22  LEU  20          HD22      LEU  20   1.749  -0.152  -2.082
  169   HD23  LEU  20          HD23      LEU  20   3.066   0.067  -3.240
  170    H    GLU  21           HN       GLU  21   3.301  -4.044   0.918
  171    HA   GLU  21           HA       GLU  21   4.908  -2.370   2.582
  172    HB2  GLU  21           HB2      GLU  21   2.487  -3.283   2.971
  173    HB3  GLU  21           HB1      GLU  21   3.329  -4.665   3.661
  174    HG2  GLU  21           HG2      GLU  21   4.483  -3.165   5.219
  175    HG3  GLU  21           HG1      GLU  21   3.585  -1.803   4.538
  176    H    ASN  22           HN       ASN  22   4.934  -5.775   1.692
  177    HA   ASN  22           HA       ASN  22   7.118  -6.446   3.416
  178    HB2  ASN  22           HB2      ASN  22   5.870  -7.811   1.038
  179    HB3  ASN  22           HB1      ASN  22   7.328  -8.442   1.795
  180   HD21  ASN  22          HD21      ASN  22   4.684  -9.628   1.595
  181   HD22  ASN  22          HD22      ASN  22   4.166  -9.927   3.220
  182    H    GLU  23           HN       GLU  23   6.782  -5.108   0.234
  183    HA   GLU  23           HA       GLU  23   9.392  -5.517  -0.721
  184    HB2  GLU  23           HB2      GLU  23   7.476  -4.743  -2.106
  185    HB3  GLU  23           HB1      GLU  23   7.550  -3.188  -1.295
  186    HG2  GLU  23           HG2      GLU  23   8.620  -2.999  -3.416
  187    HG3  GLU  23           HG1      GLU  23   9.845  -2.890  -2.158
  188    H    VAL  24           HN       VAL  24   7.964  -2.799   1.102
  189    HA   VAL  24           HA       VAL  24  10.333  -1.301   1.298
  190    HB   VAL  24           HB       VAL  24   7.918  -1.375   3.150
  191   HG11  VAL  24          HG11      VAL  24   9.986  -0.734   4.391
  192   HG12  VAL  24          HG12      VAL  24   8.829   0.590   4.246
  193   HG13  VAL  24          HG13      VAL  24  10.255   0.546   3.204
  194   HG21  VAL  24          HG21      VAL  24   8.934   0.592   1.114
  195   HG22  VAL  24          HG22      VAL  24   7.584   0.880   2.211
  196   HG23  VAL  24          HG23      VAL  24   7.483  -0.407   1.010
  197    H    ALA  25           HN       ALA  25   8.911  -3.723   3.481
  198    HA   ALA  25           HA       ALA  25  10.750  -3.621   5.547
  199    HB1  ALA  25           HB1      ALA  25   9.329  -6.071   4.499
  200    HB2  ALA  25           HB2      ALA  25   8.658  -4.901   5.637
  201    HB3  ALA  25           HB3      ALA  25  10.042  -5.891   6.102
  202    H    ARG  26           HN       ARG  26  10.881  -5.524   2.567
  203    HA   ARG  26           HA       ARG  26  13.293  -6.863   3.054
  204    HB2  ARG  26           HB2      ARG  26  11.810  -7.486   1.225
  205    HB3  ARG  26           HB1      ARG  26  12.070  -5.932   0.448
  206    HG2  ARG  26           HG2      ARG  26  14.445  -6.514   0.142
  207    HG3  ARG  26           HG1      ARG  26  14.122  -8.100   0.847
  208    HD2  ARG  26           HD2      ARG  26  12.572  -8.615  -0.933
  209    HD3  ARG  26           HD1      ARG  26  12.753  -6.995  -1.601
  210    HE   ARG  26           HE       ARG  26  15.221  -8.471  -1.419
  211   HH11  ARG  26          HH11      ARG  26  12.396  -7.826  -3.378
  212   HH12  ARG  26          HH12      ARG  26  13.177  -8.236  -4.871
  213   HH21  ARG  26          HH21      ARG  26  16.259  -9.010  -3.390
  214   HH22  ARG  26          HH22      ARG  26  15.374  -8.911  -4.880
  215    H    LEU  27           HN       LEU  27  12.722  -3.896   1.164
  216    HA   LEU  27           HA       LEU  27  15.408  -3.324   0.632
  217    HB2  LEU  27           HB2      LEU  27  12.882  -1.759   0.615
  218    HB3  LEU  27           HB1      LEU  27  14.391  -0.889   0.558
  219    HG   LEU  27           HG       LEU  27  14.968  -1.737  -1.545
  220   HD11  LEU  27          HD11      LEU  27  14.504  -4.103  -1.104
  221   HD12  LEU  27          HD12      LEU  27  13.825  -3.588  -2.647
  222   HD13  LEU  27          HD13      LEU  27  12.774  -3.789  -1.245
  223   HD21  LEU  27          HD21      LEU  27  11.975  -1.387  -1.527
  224   HD22  LEU  27          HD22      LEU  27  13.009  -1.307  -2.954
  225   HD23  LEU  27          HD23      LEU  27  13.180  -0.107  -1.673
  226    H    LYS  28           HN       LYS  28  13.380  -2.500   3.366
  227    HA   LYS  28           HA       LYS  28  15.036  -0.543   4.523
  228    HB2  LYS  28           HB2      LYS  28  12.640  -0.977   5.094
  229    HB3  LYS  28           HB1      LYS  28  13.150  -2.429   5.938
  230    HG2  LYS  28           HG2      LYS  28  12.802  -0.721   7.548
  231    HG3  LYS  28           HG1      LYS  28  14.536  -1.003   7.429
  232    HD2  LYS  28           HD2      LYS  28  13.484   1.086   5.643
  233    HD3  LYS  28           HD1      LYS  28  13.366   1.446   7.367
  234    HE2  LYS  28           HE2      LYS  28  15.803   0.864   7.549
  235    HE3  LYS  28           HE1      LYS  28  15.845   0.782   5.789
  236    HZ1  LYS  28           HZ1      LYS  28  16.566   2.938   6.537
  237    HZ2  LYS  28           HZ2      LYS  28  15.141   3.162   7.416
  238    HZ3  LYS  28           HZ3      LYS  28  15.089   3.099   5.729
  239    H    LYS  29           HN       LYS  29  15.172  -4.021   4.530
  240    HA   LYS  29           HA       LYS  29  17.216  -4.090   6.595
  241    HB2  LYS  29           HB2      LYS  29  15.614  -5.950   6.378
  242    HB3  LYS  29           HB1      LYS  29  16.212  -6.272   4.756
  243    HG2  LYS  29           HG2      LYS  29  18.405  -6.818   5.666
  244    HG3  LYS  29           HG1      LYS  29  17.817  -6.477   7.295
  245    HD2  LYS  29           HD2      LYS  29  16.183  -8.275   7.089
  246    HD3  LYS  29           HD1      LYS  29  16.746  -8.608   5.443
  247    HE2  LYS  29           HE2      LYS  29  18.404  -8.823   7.956
  248    HE3  LYS  29           HE1      LYS  29  17.699 -10.175   7.073
  249    HZ1  LYS  29           HZ1      LYS  29  20.028  -9.865   6.518
  250    HZ2  LYS  29           HZ2      LYS  29  19.726  -8.285   6.002
  251    HZ3  LYS  29           HZ3      LYS  29  19.056  -9.592   5.163
  252    H    LEU  30           HN       LEU  30  16.944  -4.346   3.108
  253    HA   LEU  30           HA       LEU  30  19.583  -5.017   2.494
  254    HB2  LEU  30           HB2      LEU  30  17.309  -3.806   1.034
  255    HB3  LEU  30           HB1      LEU  30  18.900  -3.648   0.323
  256    HG   LEU  30           HG       LEU  30  19.148  -6.080   0.309
  257   HD11  LEU  30          HD11      LEU  30  17.791  -6.644   2.236
  258   HD12  LEU  30          HD12      LEU  30  17.258  -7.535   0.811
  259   HD13  LEU  30          HD13      LEU  30  16.338  -6.141   1.375
  260   HD21  LEU  30          HD21      LEU  30  18.230  -4.990  -1.650
  261   HD22  LEU  30          HD22      LEU  30  16.606  -5.106  -0.972
  262   HD23  LEU  30          HD23      LEU  30  17.480  -6.570  -1.419
  263    H    VAL  31           HN       VAL  31  18.061  -1.777   2.578
  264    HA   VAL  31           HA       VAL  31  20.703  -0.561   2.419
  265    HB   VAL  31           HB       VAL  31  18.733   0.445   1.229
  266   HG11  VAL  31          HG11      VAL  31  17.850   1.188   4.007
  267   HG12  VAL  31          HG12      VAL  31  17.004   0.130   2.877
  268   HG13  VAL  31          HG13      VAL  31  17.184   1.848   2.512
  269   HG21  VAL  31          HG21      VAL  31  19.226   2.816   2.091
  270   HG22  VAL  31          HG22      VAL  31  20.550   1.872   1.412
  271   HG23  VAL  31          HG23      VAL  31  20.381   2.024   3.161
  272    H    GLY  32           HN       GLY  32  18.736  -1.828   4.770
  273    HA2  GLY  32           HA2      GLY  32  19.220  -0.014   6.916
  274    HA3  GLY  32           HA1      GLY  32  18.634  -1.667   7.054
  275    H    GLU  33           HN       GLU  33  20.520  -3.238   6.195
  276    HA   GLU  33           HA       GLU  33  22.468  -4.266   6.711
  277    HB2  GLU  33           HB2      GLU  33  23.506  -1.430   6.851
  278    HB3  GLU  33           HB1      GLU  33  24.513  -2.870   6.821
  279    HG2  GLU  33           HG2      GLU  33  22.625  -2.007   4.641
  280    HG3  GLU  33           HG1      GLU  33  24.375  -1.796   4.631
  281    H1   GLY   1           HT1      GLY   1 -24.307   5.833   5.051
  282    H2   GLY   1           HT2      GLY   1 -25.183   6.922   4.106
  283    H3   GLY   1           HT3      GLY   1 -23.493   7.002   4.143
  284    HA2  GLY   1           HA1      GLY   1 -25.094   4.763   3.041
  285    HA3  GLY   1           HA2      GLY   1 -24.259   5.983   2.092
  286    H    SER   2           HN       SER   2 -23.744   3.279   1.755
  287    HA   SER   2           HA       SER   2 -21.420   2.568   3.309
  288    HB2  SER   2           HB2      SER   2 -21.419   0.579   1.684
  289    HB3  SER   2           HB1      SER   2 -22.804   0.738   2.766
  290    HG   SER   2           HG       SER   2 -23.569   0.346   0.709
  291    H    MET   3           HN       MET   3 -22.097   3.903   0.154
  292    HA   MET   3           HA       MET   3 -19.808   3.169  -1.225
  293    HB2  MET   3           HB2      MET   3 -21.447   5.689  -1.495
  294    HB3  MET   3           HB1      MET   3 -20.228   5.170  -2.650
  295    HG2  MET   3           HG2      MET   3 -22.738   3.675  -1.932
  296    HG3  MET   3           HG1      MET   3 -22.464   4.602  -3.403
  297    HE1  MET   3           HE1      MET   3 -20.691   3.939  -5.255
  298    HE2  MET   3           HE2      MET   3 -19.680   2.497  -5.184
  299    HE3  MET   3           HE3      MET   3 -19.402   3.825  -4.057
  300    H    LYS   4           HN       LYS   4 -20.313   6.095   0.751
  301    HA   LYS   4           HA       LYS   4 -17.677   7.077   0.162
  302    HB2  LYS   4           HB2      LYS   4 -19.767   7.996   2.132
  303    HB3  LYS   4           HB1      LYS   4 -18.238   8.822   1.868
  304    HG2  LYS   4           HG2      LYS   4 -18.844   9.212  -0.462
  305    HG3  LYS   4           HG1      LYS   4 -20.373   8.369  -0.207
  306    HD2  LYS   4           HD2      LYS   4 -21.012  10.040   1.463
  307    HD3  LYS   4           HD1      LYS   4 -19.481  10.878   1.211
  308    HE2  LYS   4           HE2      LYS   4 -21.295  11.959  -0.012
  309    HE3  LYS   4           HE1      LYS   4 -20.084  11.303  -1.111
  310    HZ1  LYS   4           HZ1      LYS   4 -21.511   9.418  -1.530
  311    HZ2  LYS   4           HZ2      LYS   4 -22.348  10.852  -1.852
  312    HZ3  LYS   4           HZ3      LYS   4 -22.659   9.995  -0.431
  313    H    GLN   5           HN       GLN   5 -18.998   5.002   2.540
  314    HA   GLN   5           HA       GLN   5 -16.958   5.562   4.514
  315    HB2  GLN   5           HB2      GLN   5 -19.233   3.570   4.505
  316    HB3  GLN   5           HB1      GLN   5 -18.116   3.799   5.845
  317    HG2  GLN   5           HG2      GLN   5 -20.038   5.832   4.737
  318    HG3  GLN   5           HG1      GLN   5 -20.169   4.978   6.274
  319   HE21  GLN   5          HE21      GLN   5 -20.020   7.844   5.680
  320   HE22  GLN   5          HE22      GLN   5 -18.674   8.442   6.583
  321    H    LEU   6           HN       LEU   6 -17.953   2.984   2.334
  322    HA   LEU   6           HA       LEU   6 -15.767   1.277   2.880
  323    HB2  LEU   6           HB2      LEU   6 -17.716   1.573   0.636
  324    HB3  LEU   6           HB1      LEU   6 -16.282   0.608   0.376
  325    HG   LEU   6           HG       LEU   6 -18.326  -0.692   1.005
  326   HD11  LEU   6          HD11      LEU   6 -16.059  -0.943   2.976
  327   HD12  LEU   6          HD12      LEU   6 -16.031  -1.558   1.325
  328   HD13  LEU   6          HD13      LEU   6 -17.191  -2.201   2.486
  329   HD21  LEU   6          HD21      LEU   6 -19.274   0.870   2.619
  330   HD22  LEU   6          HD22      LEU   6 -17.905   0.600   3.698
  331   HD23  LEU   6          HD23      LEU   6 -19.021  -0.718   3.342
  332    H    GLU   7           HN       GLU   7 -16.336   3.852   0.508
  333    HA   GLU   7           HA       GLU   7 -13.796   3.803  -0.680
  334    HB2  GLU   7           HB2      GLU   7 -15.703   5.073  -1.602
  335    HB3  GLU   7           HB1      GLU   7 -15.595   6.198  -0.254
  336    HG2  GLU   7           HG2      GLU   7 -13.386   6.892  -0.976
  337    HG3  GLU   7           HG1      GLU   7 -13.432   5.725  -2.296
  338    H    ASP   8           HN       ASP   8 -14.977   5.382   2.282
  339    HA   ASP   8           HA       ASP   8 -12.628   6.829   2.873
  340    HB2  ASP   8           HB2      ASP   8 -14.778   5.656   4.608
  341    HB3  ASP   8           HB1      ASP   8 -13.339   6.346   5.346
  342    H    LYS   9           HN       LYS   9 -13.408   3.450   3.248
  343    HA   LYS   9           HA       LYS   9 -11.090   2.827   4.821
  344    HB2  LYS   9           HB2      LYS   9 -13.137   1.487   4.984
  345    HB3  LYS   9           HB1      LYS   9 -12.988   1.030   3.295
  346    HG2  LYS   9           HG2      LYS   9 -10.908  -0.151   3.794
  347    HG3  LYS   9           HG1      LYS   9 -11.055   0.310   5.490
  348    HD2  LYS   9           HD2      LYS   9 -13.072  -1.339   3.972
  349    HD3  LYS   9           HD1      LYS   9 -11.828  -1.997   5.035
  350    HE2  LYS   9           HE2      LYS   9 -14.037  -0.110   5.851
  351    HE3  LYS   9           HE1      LYS   9 -13.988  -1.841   6.172
  352    HZ1  LYS   9           HZ1      LYS   9 -12.096   0.191   7.226
  353    HZ2  LYS   9           HZ2      LYS   9 -11.965  -1.473   7.481
  354    HZ3  LYS   9           HZ3      LYS   9 -13.286  -0.625   8.107
  355    H    VAL  10           HN       VAL  10 -12.001   2.579   1.410
  356    HA   VAL  10           HA       VAL  10  -9.676   1.294   0.479
  357    HB   VAL  10           HB       VAL  10 -11.149   3.397  -1.103
  358   HG11  VAL  10          HG11      VAL  10  -9.756   0.858  -1.929
  359   HG12  VAL  10          HG12      VAL  10  -9.101   2.491  -2.077
  360   HG13  VAL  10          HG13      VAL  10 -10.522   2.025  -3.011
  361   HG21  VAL  10          HG21      VAL  10 -12.797   1.861  -1.782
  362   HG22  VAL  10          HG22      VAL  10 -12.729   1.735  -0.023
  363   HG23  VAL  10          HG23      VAL  10 -11.955   0.511  -1.028
  364    H    GLU  11           HN       GLU  11 -10.494   4.734   0.793
  365    HA   GLU  11           HA       GLU  11  -8.000   5.681  -0.200
  366    HB2  GLU  11           HB2      GLU  11 -10.392   6.827   0.133
  367    HB3  GLU  11           HB1      GLU  11  -9.661   7.351   1.640
  368    HG2  GLU  11           HG2      GLU  11  -8.449   7.847  -1.068
  369    HG3  GLU  11           HG1      GLU  11  -9.514   8.980  -0.246
  370    H    GLU  12           HN       GLU  12  -9.024   4.488   2.856
  371    HA   GLU  12           HA       GLU  12  -7.094   5.756   4.507
  372    HB2  GLU  12           HB2      GLU  12  -9.258   4.263   5.042
  373    HB3  GLU  12           HB1      GLU  12  -8.042   3.001   5.140
  374    HG2  GLU  12           HG2      GLU  12  -7.983   5.556   6.722
  375    HG3  GLU  12           HG1      GLU  12  -8.608   4.023   7.317
  376    H    LEU  13           HN       LEU  13  -7.224   2.680   2.748
  377    HA   LEU  13           HA       LEU  13  -4.524   1.953   3.221
  378    HB2  LEU  13           HB2      LEU  13  -6.314   1.326   0.867
  379    HB3  LEU  13           HB1      LEU  13  -4.762   0.573   1.170
  380    HG   LEU  13           HG       LEU  13  -7.209   0.332   2.917
  381   HD11  LEU  13          HD11      LEU  13  -5.851  -1.637   1.092
  382   HD12  LEU  13          HD12      LEU  13  -7.420  -0.879   0.826
  383   HD13  LEU  13          HD13      LEU  13  -7.197  -1.996   2.172
  384   HD21  LEU  13          HD21      LEU  13  -5.165   0.250   4.233
  385   HD22  LEU  13          HD22      LEU  13  -4.498  -0.963   3.141
  386   HD23  LEU  13          HD23      LEU  13  -5.906  -1.346   4.131
  387    H    LEU  14           HN       LEU  14  -6.159   3.606   0.572
  388    HA   LEU  14           HA       LEU  14  -4.103   4.035  -1.183
  389    HB2  LEU  14           HB2      LEU  14  -6.669   4.675  -1.155
  390    HB3  LEU  14           HB1      LEU  14  -6.036   6.241  -0.697
  391    HG   LEU  14           HG       LEU  14  -4.607   6.176  -2.771
  392   HD11  LEU  14          HD11      LEU  14  -6.418   3.868  -3.459
  393   HD12  LEU  14          HD12      LEU  14  -4.685   3.757  -3.140
  394   HD13  LEU  14          HD13      LEU  14  -5.269   4.649  -4.545
  395   HD21  LEU  14          HD21      LEU  14  -6.665   7.483  -2.624
  396   HD22  LEU  14          HD22      LEU  14  -7.596   6.077  -3.142
  397   HD23  LEU  14          HD23      LEU  14  -6.437   6.820  -4.242
  398    H    SER  15           HN       SER  15  -4.790   5.825   1.755
  399    HA   SER  15           HA       SER  15  -3.018   7.975   1.135
  400    HB2  SER  15           HB2      SER  15  -3.366   8.495   3.644
  401    HB3  SER  15           HB1      SER  15  -4.751   8.624   2.561
  402    HG   SER  15           HG       SER  15  -5.607   6.836   3.396
  403    H    LYS  16           HN       LYS  16  -2.783   5.082   3.256
  404    HA   LYS  16           HA       LYS  16  -0.057   5.763   3.840
  405    HB2  LYS  16           HB2      LYS  16   0.219   3.641   4.905
  406    HB3  LYS  16           HB1      LYS  16  -1.291   4.362   5.429
  407    HG2  LYS  16           HG2      LYS  16  -2.574   2.778   4.315
  408    HG3  LYS  16           HG1      LYS  16  -1.246   2.320   3.237
  409    HD2  LYS  16           HD2      LYS  16  -0.104   1.178   4.954
  410    HD3  LYS  16           HD1      LYS  16  -1.093   1.912   6.213
  411    HE2  LYS  16           HE2      LYS  16  -2.172   0.012   4.136
  412    HE3  LYS  16           HE1      LYS  16  -1.589  -0.494   5.720
  413    HZ1  LYS  16           HZ1      LYS  16  -3.820   1.399   5.230
  414    HZ2  LYS  16           HZ2      LYS  16  -3.242   0.942   6.748
  415    HZ3  LYS  16           HZ3      LYS  16  -3.972  -0.207   5.744
  416    H    ASN  17           HN       ASN  17  -1.666   3.788   1.422
  417    HA   ASN  17           HA       ASN  17   0.548   2.617   0.164
  418    HB2  ASN  17           HB2      ASN  17  -1.987   3.817  -0.990
  419    HB3  ASN  17           HB1      ASN  17  -0.782   3.011  -1.985
  420   HD21  ASN  17          HD21      ASN  17  -2.193   1.433  -2.612
  421   HD22  ASN  17          HD22      ASN  17  -2.678   0.157  -1.547
  422    H    TYR  18           HN       TYR  18  -0.824   5.884  -0.114
  423    HA   TYR  18           HA       TYR  18   0.818   6.931  -2.084
  424    HB2  TYR  18           HB2      TYR  18  -1.073   8.139  -1.061
  425    HB3  TYR  18           HB1      TYR  18  -0.147   8.327   0.423
  426    HD1  TYR  18           HD1      TYR  18  -0.326   9.308  -3.134
  427    HD2  TYR  18           HD2      TYR  18   1.438  10.078   0.661
  428    HE1  TYR  18           HE1      TYR  18   0.589  11.423  -3.992
  429    HE2  TYR  18           HE2      TYR  18   2.359  12.193  -0.189
  430    HH   TYR  18           HH       TYR  18   1.362  13.575  -3.126
  431    H    HIS  19           HN       HIS  19   1.431   6.706   1.392
  432    HA   HIS  19           HA       HIS  19   4.065   7.848   1.164
  433    HB2  HIS  19           HB2      HIS  19   2.611   6.546   3.470
  434    HB3  HIS  19           HB1      HIS  19   4.221   7.245   3.599
  435    HD1  HIS  19           HD1      HIS  19   0.651   8.120   3.652
  436    HD2  HIS  19           HD2      HIS  19   4.280  10.102   3.217
  437    HE1  HIS  19           HE1      HIS  19   0.142  10.551   4.012
  438    HE2  HIS  19           HE2      HIS  19   2.378  11.699   3.937
  439    H    LEU  20           HN       LEU  20   2.733   4.612   1.731
  440    HA   LEU  20           HA       LEU  20   5.158   3.303   2.174
  441    HB2  LEU  20           HB2      LEU  20   3.218   2.281   2.972
  442    HB3  LEU  20           HB1      LEU  20   2.356   2.499   1.476
  443    HG   LEU  20           HG       LEU  20   3.411   0.670   0.485
  444   HD11  LEU  20          HD11      LEU  20   5.670   1.237   1.461
  445   HD12  LEU  20          HD12      LEU  20   5.285  -0.474   1.307
  446   HD13  LEU  20          HD13      LEU  20   5.170   0.320   2.881
  447   HD21  LEU  20          HD21      LEU  20   2.879  -1.168   1.916
  448   HD22  LEU  20          HD22      LEU  20   1.669   0.105   2.122
  449   HD23  LEU  20          HD23      LEU  20   2.939  -0.120   3.331
  450    H    GLU  21           HN       GLU  21   3.370   3.975  -0.822
  451    HA   GLU  21           HA       GLU  21   5.027   2.285  -2.420
  452    HB2  GLU  21           HB2      GLU  21   2.631   3.216  -2.904
  453    HB3  GLU  21           HB1      GLU  21   3.510   4.591  -3.563
  454    HG2  GLU  21           HG2      GLU  21   4.710   3.078  -5.075
  455    HG3  GLU  21           HG1      GLU  21   3.777   1.724  -4.427
  456    H    ASN  22           HN       ASN  22   5.052   5.688  -1.530
  457    HA   ASN  22           HA       ASN  22   7.302   6.340  -3.178
  458    HB2  ASN  22           HB2      ASN  22   5.965   7.719  -0.859
  459    HB3  ASN  22           HB1      ASN  22   7.455   8.341  -1.558
  460   HD21  ASN  22          HD21      ASN  22   4.828   9.554  -1.471
  461   HD22  ASN  22          HD22      ASN  22   4.372   9.846  -3.116
  462    H    GLU  23           HN       GLU  23   6.831   5.030   0.002
  463    HA   GLU  23           HA       GLU  23   9.402   5.417   1.055
  464    HB2  GLU  23           HB2      GLU  23   7.427   4.667   2.366
  465    HB3  GLU  23           HB1      GLU  23   7.515   3.107   1.563
  466    HG2  GLU  23           HG2      GLU  23   8.496   2.916   3.729
  467    HG3  GLU  23           HG1      GLU  23   9.772   2.790   2.521
  468    H    VAL  24           HN       VAL  24   8.027   2.698  -0.810
  469    HA   VAL  24           HA       VAL  24  10.393   1.186  -0.910
  470    HB   VAL  24           HB       VAL  24   8.054   1.269  -2.859
  471   HG11  VAL  24          HG11      VAL  24  10.166   0.610  -4.016
  472   HG12  VAL  24          HG12      VAL  24   8.996  -0.706  -3.911
  473   HG13  VAL  24          HG13      VAL  24  10.380  -0.668  -2.815
  474   HG21  VAL  24          HG21      VAL  24   8.973  -0.698  -0.777
  475   HG22  VAL  24          HG22      VAL  24   7.668  -0.982  -1.927
  476   HG23  VAL  24          HG23      VAL  24   7.526   0.311  -0.736
  477    H    ALA  25           HN       ALA  25   9.079   3.618  -3.149
  478    HA   ALA  25           HA       ALA  25  10.995   3.485  -5.148
  479    HB1  ALA  25           HB1      ALA  25   9.549   5.950  -4.171
  480    HB2  ALA  25           HB2      ALA  25   8.917   4.781  -5.329
  481    HB3  ALA  25           HB3      ALA  25  10.326   5.760  -5.743
  482    H    ARG  26           HN       ARG  26  11.022   5.389  -2.165
  483    HA   ARG  26           HA       ARG  26  13.457   6.720  -2.564
  484    HB2  ARG  26           HB2      ARG  26  11.906   7.361  -0.800
  485    HB3  ARG  26           HB1      ARG  26  12.125   5.808  -0.007
  486    HG2  ARG  26           HG2      ARG  26  14.491   6.374   0.389
  487    HG3  ARG  26           HG1      ARG  26  14.207   7.960  -0.332
  488    HD2  ARG  26           HD2      ARG  26  12.592   8.492   1.384
  489    HD3  ARG  26           HD1      ARG  26  12.738   6.873   2.065
  490    HE   ARG  26           HE       ARG  26  15.220   8.333   1.971
  491   HH11  ARG  26          HH11      ARG  26  12.314   7.717   3.824
  492   HH12  ARG  26          HH12      ARG  26  13.041   8.125   5.344
  493   HH21  ARG  26          HH21      ARG  26  16.187   8.867   3.982
  494   HH22  ARG  26          HH22      ARG  26  15.241   8.779   5.434
  495    H    LEU  27           HN       LEU  27  12.794   3.764  -0.691
  496    HA   LEU  27           HA       LEU  27  15.454   3.176  -0.047
  497    HB2  LEU  27           HB2      LEU  27  12.914   1.633  -0.127
  498    HB3  LEU  27           HB1      LEU  27  14.411   0.749  -0.005
  499    HG   LEU  27           HG       LEU  27  14.910   1.599   2.118
  500   HD11  LEU  27          HD11      LEU  27  14.483   3.966   1.653
  501   HD12  LEU  27          HD12      LEU  27  13.738   3.462   3.168
  502   HD13  LEU  27          HD13      LEU  27  12.747   3.668   1.725
  503   HD21  LEU  27          HD21      LEU  27  11.919   1.270   1.978
  504   HD22  LEU  27          HD22      LEU  27  12.892   1.188   3.447
  505   HD23  LEU  27          HD23      LEU  27  13.108  -0.017   2.177
  506    H    LYS  28           HN       LYS  28  13.528   2.357  -2.856
  507    HA   LYS  28           HA       LYS  28  15.215   0.383  -3.938
  508    HB2  LYS  28           HB2      LYS  28  12.847   0.832  -4.610
  509    HB3  LYS  28           HB1      LYS  28  13.403   2.276  -5.438
  510    HG2  LYS  28           HG2      LYS  28  13.106   0.562  -7.054
  511    HG3  LYS  28           HG1      LYS  28  14.835   0.836  -6.866
  512    HD2  LYS  28           HD2      LYS  28  13.699  -1.247  -5.123
  513    HD3  LYS  28           HD1      LYS  28  13.656  -1.608  -6.850
  514    HE2  LYS  28           HE2      LYS  28  16.099  -1.032  -6.926
  515    HE3  LYS  28           HE1      LYS  28  16.067  -0.947  -5.166
  516    HZ1  LYS  28           HZ1      LYS  28  16.820  -3.103  -5.887
  517    HZ2  LYS  28           HZ2      LYS  28  15.427  -3.329  -6.817
  518    HZ3  LYS  28           HZ3      LYS  28  15.312  -3.263  -5.132
  519    H    LYS  29           HN       LYS  29  15.372   3.864  -3.963
  520    HA   LYS  29           HA       LYS  29  17.498   3.907  -5.939
  521    HB2  LYS  29           HB2      LYS  29  15.906   5.782  -5.789
  522    HB3  LYS  29           HB1      LYS  29  16.442   6.103  -4.145
  523    HG2  LYS  29           HG2      LYS  29  18.673   6.633  -4.962
  524    HG3  LYS  29           HG1      LYS  29  18.152   6.288  -6.617
  525    HD2  LYS  29           HD2      LYS  29  16.516   8.095  -6.486
  526    HD3  LYS  29           HD1      LYS  29  17.013   8.433  -4.821
  527    HE2  LYS  29           HE2      LYS  29  18.775   8.631  -7.265
  528    HE3  LYS  29           HE1      LYS  29  18.037   9.990  -6.417
  529    HZ1  LYS  29           HZ1      LYS  29  20.331   9.684  -5.754
  530    HZ2  LYS  29           HZ2      LYS  29  20.016   8.099  -5.262
  531    HZ3  LYS  29           HZ3      LYS  29  19.304   9.394  -4.445
  532    H    LEU  30           HN       LEU  30  17.096   4.180  -2.465
  533    HA   LEU  30           HA       LEU  30  19.711   4.834  -1.745
  534    HB2  LEU  30           HB2      LEU  30  17.371   3.640  -0.377
  535    HB3  LEU  30           HB1      LEU  30  18.930   3.477   0.400
  536    HG   LEU  30           HG       LEU  30  19.189   5.907   0.418
  537   HD11  LEU  30          HD11      LEU  30  17.919   6.472  -1.568
  538   HD12  LEU  30          HD12      LEU  30  17.336   7.371  -0.170
  539   HD13  LEU  30          HD13      LEU  30  16.427   5.982  -0.765
  540   HD21  LEU  30          HD21      LEU  30  18.182   4.830   2.339
  541   HD22  LEU  30          HD22      LEU  30  16.590   4.954   1.595
  542   HD23  LEU  30          HD23      LEU  30  17.456   6.414   2.073
  543    H    VAL  31           HN       VAL  31  18.168   1.608  -1.887
  544    HA   VAL  31           HA       VAL  31  20.793   0.373  -1.615
  545    HB   VAL  31           HB       VAL  31  18.772  -0.614  -0.496
  546   HG11  VAL  31          HG11      VAL  31  17.990  -1.359  -3.304
  547   HG12  VAL  31          HG12      VAL  31  17.110  -0.294  -2.207
  548   HG13  VAL  31          HG13      VAL  31  17.265  -2.013  -1.836
  549   HG21  VAL  31          HG21      VAL  31  19.291  -2.993  -1.335
  550   HG22  VAL  31          HG22      VAL  31  20.586  -2.052  -0.601
  551   HG23  VAL  31          HG23      VAL  31  20.491  -2.204  -2.356
  552    H    GLY  32           HN       GLY  32  18.937   1.650  -4.041
  553    HA2  GLY  32           HA2      GLY  32  19.484  -0.180  -6.162
  554    HA3  GLY  32           HA1      GLY  32  18.916   1.476  -6.328
  555    H    GLU  33           HN       GLU  33  20.782   3.037  -5.393
  556    HA   GLU  33           HA       GLU  33  22.756   4.050  -5.845
  557    HB2  GLU  33           HB2      GLU  33  23.778   1.206  -5.928
  558    HB3  GLU  33           HB1      GLU  33  24.793   2.639  -5.862
  559    HG2  GLU  33           HG2      GLU  33  22.810   1.798  -3.760
  560    HG3  GLU  33           HG1      GLU  33  24.556   1.575  -3.677
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -26.415  -4.723  -5.779
    2    H2   GLY   1           HT2      GLY   1 -27.013  -3.778  -4.512
    3    H3   GLY   1           HT3      GLY   1 -27.389  -5.424  -4.590
    4    HA2  GLY   1           HA1      GLY   1 -25.705  -5.022  -2.919
    5    HA3  GLY   1           HA2      GLY   1 -25.089  -6.014  -4.233
    6    H    SER   2           HN       SER   2 -23.480  -4.517  -2.469
    7    HA   SER   2           HA       SER   2 -21.986  -2.964  -4.381
    8    HB2  SER   2           HB2      SER   2 -21.917  -0.987  -2.701
    9    HB3  SER   2           HB1      SER   2 -23.334  -1.149  -3.745
   10    HG   SER   2           HG       SER   2 -24.533  -1.640  -2.063
   11    H    MET   3           HN       MET   3 -22.392  -4.218  -1.141
   12    HA   MET   3           HA       MET   3 -20.054  -3.463   0.068
   13    HB2  MET   3           HB2      MET   3 -21.725  -5.935   0.394
   14    HB3  MET   3           HB1      MET   3 -20.297  -5.654   1.380
   15    HG2  MET   3           HG2      MET   3 -22.664  -3.806   1.188
   16    HG3  MET   3           HG1      MET   3 -22.362  -4.952   2.493
   17    HE1  MET   3           HE1      MET   3 -22.631  -2.913   4.216
   18    HE2  MET   3           HE2      MET   3 -22.865  -1.784   2.881
   19    HE3  MET   3           HE3      MET   3 -21.671  -1.435   4.131
   20    H    LYS   4           HN       LYS   4 -20.506  -6.443  -1.871
   21    HA   LYS   4           HA       LYS   4 -17.822  -7.283  -1.361
   22    HB2  LYS   4           HB2      LYS   4 -18.252  -9.115  -2.853
   23    HB3  LYS   4           HB1      LYS   4 -19.652  -8.880  -1.819
   24    HG2  LYS   4           HG2      LYS   4 -20.827  -7.768  -3.634
   25    HG3  LYS   4           HG1      LYS   4 -19.409  -7.943  -4.670
   26    HD2  LYS   4           HD2      LYS   4 -19.575 -10.390  -4.445
   27    HD3  LYS   4           HD1      LYS   4 -21.031 -10.187  -3.468
   28    HE2  LYS   4           HE2      LYS   4 -20.711  -9.237  -6.311
   29    HE3  LYS   4           HE1      LYS   4 -21.495 -10.740  -5.836
   30    HZ1  LYS   4           HZ1      LYS   4 -23.122  -9.027  -6.211
   31    HZ2  LYS   4           HZ2      LYS   4 -22.374  -8.004  -5.098
   32    HZ3  LYS   4           HZ3      LYS   4 -23.106  -9.433  -4.570
   33    H    GLN   5           HN       GLN   5 -19.027  -4.948  -3.385
   34    HA   GLN   5           HA       GLN   5 -17.037  -5.348  -5.490
   35    HB2  GLN   5           HB2      GLN   5 -19.282  -3.330  -5.258
   36    HB3  GLN   5           HB1      GLN   5 -18.195  -3.480  -6.630
   37    HG2  GLN   5           HG2      GLN   5 -19.051  -5.704  -7.090
   38    HG3  GLN   5           HG1      GLN   5 -20.112  -5.597  -5.684
   39   HE21  GLN   5          HE21      GLN   5 -19.504  -4.456  -8.909
   40   HE22  GLN   5          HE22      GLN   5 -21.058  -3.741  -9.165
   41    H    LEU   6           HN       LEU   6 -18.181  -2.980  -3.153
   42    HA   LEU   6           HA       LEU   6 -16.027  -1.172  -3.444
   43    HB2  LEU   6           HB2      LEU   6 -18.093  -1.674  -1.331
   44    HB3  LEU   6           HB1      LEU   6 -16.761  -0.596  -0.998
   45    HG   LEU   6           HG       LEU   6 -18.853   0.561  -1.674
   46   HD11  LEU   6          HD11      LEU   6 -17.826   2.149  -3.139
   47   HD12  LEU   6          HD12      LEU   6 -16.614   0.978  -3.647
   48   HD13  LEU   6          HD13      LEU   6 -16.616   1.580  -1.989
   49   HD21  LEU   6          HD21      LEU   6 -18.332  -0.711  -4.356
   50   HD22  LEU   6          HD22      LEU   6 -19.533   0.535  -4.017
   51   HD23  LEU   6          HD23      LEU   6 -19.687  -1.062  -3.284
   52    H    GLU   7           HN       GLU   7 -16.684  -3.853  -1.216
   53    HA   GLU   7           HA       GLU   7 -14.278  -3.695   0.227
   54    HB2  GLU   7           HB2      GLU   7 -16.254  -5.027   0.918
   55    HB3  GLU   7           HB1      GLU   7 -15.908  -6.169  -0.373
   56    HG2  GLU   7           HG2      GLU   7 -13.789  -6.732   0.662
   57    HG3  GLU   7           HG1      GLU   7 -14.081  -5.547   1.934
   58    H    ASP   8           HN       ASP   8 -15.072  -5.221  -2.871
   59    HA   ASP   8           HA       ASP   8 -12.646  -6.620  -3.211
   60    HB2  ASP   8           HB2      ASP   8 -14.771  -5.648  -5.011
   61    HB3  ASP   8           HB1      ASP   8 -13.193  -5.857  -5.762
   62    H    LYS   9           HN       LYS   9 -13.498  -3.261  -3.783
   63    HA   LYS   9           HA       LYS   9 -11.087  -2.493  -5.057
   64    HB2  LYS   9           HB2      LYS   9 -13.005  -0.811  -3.427
   65    HB3  LYS   9           HB1      LYS   9 -11.773  -0.192  -4.516
   66    HG2  LYS   9           HG2      LYS   9 -14.096  -1.912  -5.356
   67    HG3  LYS   9           HG1      LYS   9 -14.044  -0.154  -5.474
   68    HD2  LYS   9           HD2      LYS   9 -12.079  -2.008  -6.813
   69    HD3  LYS   9           HD1      LYS   9 -13.504  -1.333  -7.601
   70    HE2  LYS   9           HE2      LYS   9 -12.658   0.920  -7.220
   71    HE3  LYS   9           HE1      LYS   9 -11.244   0.263  -6.399
   72    HZ1  LYS   9           HZ1      LYS   9 -11.955  -0.269  -9.232
   73    HZ2  LYS   9           HZ2      LYS   9 -10.555  -0.785  -8.432
   74    HZ3  LYS   9           HZ3      LYS   9 -10.805   0.864  -8.718
   75    H    VAL  10           HN       VAL  10 -12.165  -2.459  -1.698
   76    HA   VAL  10           HA       VAL  10  -9.951  -1.118  -0.597
   77    HB   VAL  10           HB       VAL  10 -11.502  -3.230   0.881
   78   HG11  VAL  10          HG11      VAL  10  -9.622  -2.280   2.063
   79   HG12  VAL  10          HG12      VAL  10 -11.130  -1.733   2.795
   80   HG13  VAL  10          HG13      VAL  10 -10.217  -0.649   1.742
   81   HG21  VAL  10          HG21      VAL  10 -13.230  -1.689   1.405
   82   HG22  VAL  10          HG22      VAL  10 -13.062  -1.702  -0.351
   83   HG23  VAL  10          HG23      VAL  10 -12.386  -0.375   0.594
   84    H    GLU  11           HN       GLU  11 -10.662  -4.602  -0.855
   85    HA   GLU  11           HA       GLU  11  -8.247  -5.381   0.448
   86    HB2  GLU  11           HB2      GLU  11 -10.168  -6.987  -1.251
   87    HB3  GLU  11           HB1      GLU  11  -8.849  -7.672  -0.312
   88    HG2  GLU  11           HG2      GLU  11  -9.878  -6.744   1.734
   89    HG3  GLU  11           HG1      GLU  11 -11.235  -6.186   0.757
   90    H    GLU  12           HN       GLU  12  -9.010  -4.596  -2.836
   91    HA   GLU  12           HA       GLU  12  -6.840  -5.960  -4.062
   92    HB2  GLU  12           HB2      GLU  12  -8.766  -5.060  -5.347
   93    HB3  GLU  12           HB1      GLU  12  -8.231  -3.427  -4.972
   94    HG2  GLU  12           HG2      GLU  12  -6.133  -3.850  -6.168
   95    HG3  GLU  12           HG1      GLU  12  -6.701  -5.469  -6.569
   96    H    LEU  13           HN       LEU  13  -7.308  -2.681  -2.824
   97    HA   LEU  13           HA       LEU  13  -4.624  -1.857  -3.225
   98    HB2  LEU  13           HB2      LEU  13  -6.716  -0.837  -1.306
   99    HB3  LEU  13           HB1      LEU  13  -5.180  -0.051  -1.614
  100    HG   LEU  13           HG       LEU  13  -7.461  -0.407  -3.555
  101   HD11  LEU  13          HD11      LEU  13  -7.729   1.382  -1.920
  102   HD12  LEU  13          HD12      LEU  13  -7.494   2.022  -3.546
  103   HD13  LEU  13          HD13      LEU  13  -6.165   2.047  -2.387
  104   HD21  LEU  13          HD21      LEU  13  -4.708   0.731  -4.030
  105   HD22  LEU  13          HD22      LEU  13  -6.067   0.851  -5.146
  106   HD23  LEU  13          HD23      LEU  13  -5.383  -0.727  -4.758
  107    H    LEU  14           HN       LEU  14  -6.315  -3.579  -0.734
  108    HA   LEU  14           HA       LEU  14  -4.400  -3.501   1.320
  109    HB2  LEU  14           HB2      LEU  14  -6.790  -4.372   1.382
  110    HB3  LEU  14           HB1      LEU  14  -6.182  -5.830   0.632
  111    HG   LEU  14           HG       LEU  14  -4.629  -6.086   2.607
  112   HD11  LEU  14          HD11      LEU  14  -6.444  -3.990   3.784
  113   HD12  LEU  14          HD12      LEU  14  -4.739  -3.768   3.389
  114   HD13  LEU  14          HD13      LEU  14  -5.212  -4.908   4.649
  115   HD21  LEU  14          HD21      LEU  14  -6.650  -7.417   2.349
  116   HD22  LEU  14          HD22      LEU  14  -7.601  -6.146   3.116
  117   HD23  LEU  14          HD23      LEU  14  -6.377  -7.013   4.044
  118    H    SER  15           HN       SER  15  -4.712  -5.457  -1.549
  119    HA   SER  15           HA       SER  15  -2.774  -7.412  -0.866
  120    HB2  SER  15           HB2      SER  15  -4.545  -7.835  -2.521
  121    HB3  SER  15           HB1      SER  15  -3.846  -6.616  -3.584
  122    HG   SER  15           HG       SER  15  -2.481  -8.945  -2.688
  123    H    LYS  16           HN       LYS  16  -2.671  -4.515  -2.954
  124    HA   LYS  16           HA       LYS  16   0.112  -4.824  -3.459
  125    HB2  LYS  16           HB2      LYS  16   0.076  -2.507  -4.299
  126    HB3  LYS  16           HB1      LYS  16  -1.134  -3.534  -5.051
  127    HG2  LYS  16           HG2      LYS  16  -2.843  -2.536  -3.589
  128    HG3  LYS  16           HG1      LYS  16  -1.612  -1.482  -2.901
  129    HD2  LYS  16           HD2      LYS  16  -2.156  -1.553  -5.853
  130    HD3  LYS  16           HD1      LYS  16  -3.118  -0.555  -4.766
  131    HE2  LYS  16           HE2      LYS  16  -1.452   0.873  -5.589
  132    HE3  LYS  16           HE1      LYS  16  -0.917   0.436  -3.970
  133    HZ1  LYS  16           HZ1      LYS  16   0.852   0.391  -5.678
  134    HZ2  LYS  16           HZ2      LYS  16   0.050  -0.881  -6.448
  135    HZ3  LYS  16           HZ3      LYS  16   0.655  -1.087  -4.885
  136    H    ASN  17           HN       ASN  17  -1.755  -3.088  -1.025
  137    HA   ASN  17           HA       ASN  17   0.317  -1.789   0.325
  138    HB2  ASN  17           HB2      ASN  17  -2.343  -2.857   1.047
  139    HB3  ASN  17           HB1      ASN  17  -1.213  -2.711   2.389
  140   HD21  ASN  17          HD21      ASN  17  -3.696  -1.239   1.581
  141   HD22  ASN  17          HD22      ASN  17  -3.241   0.427   1.612
  142    H    TYR  18           HN       TYR  18  -0.873  -5.120   0.593
  143    HA   TYR  18           HA       TYR  18   0.956  -6.036   2.507
  144    HB2  TYR  18           HB2      TYR  18  -0.958  -7.365   1.892
  145    HB3  TYR  18           HB1      TYR  18  -0.413  -7.470   0.224
  146    HD1  TYR  18           HD1      TYR  18   0.825  -9.309  -0.470
  147    HD2  TYR  18           HD2      TYR  18   0.577  -8.441   3.687
  148    HE1  TYR  18           HE1      TYR  18   1.968 -11.425   0.034
  149    HE2  TYR  18           HE2      TYR  18   1.722 -10.554   4.201
  150    HH   TYR  18           HH       TYR  18   2.069 -12.769   3.127
  151    H    HIS  19           HN       HIS  19   1.250  -5.714  -0.987
  152    HA   HIS  19           HA       HIS  19   3.762  -7.074  -1.129
  153    HB2  HIS  19           HB2      HIS  19   2.265  -5.379  -3.126
  154    HB3  HIS  19           HB1      HIS  19   3.816  -6.134  -3.478
  155    HD1  HIS  19           HD1      HIS  19   0.536  -6.721  -4.311
  156    HD2  HIS  19           HD2      HIS  19   3.405  -9.117  -2.501
  157    HE1  HIS  19           HE1      HIS  19  -0.236  -9.086  -4.664
  158    HE2  HIS  19           HE2      HIS  19   1.588 -10.520  -3.683
  159    H    LEU  20           HN       LEU  20   2.829  -3.628  -1.363
  160    HA   LEU  20           HA       LEU  20   5.384  -2.534  -1.640
  161    HB2  LEU  20           HB2      LEU  20   3.141  -1.348  -0.012
  162    HB3  LEU  20           HB1      LEU  20   4.467  -0.467  -0.731
  163    HG   LEU  20           HG       LEU  20   2.124  -1.724  -2.049
  164   HD11  LEU  20          HD11      LEU  20   1.768   0.493  -1.213
  165   HD12  LEU  20          HD12      LEU  20   1.799   0.516  -2.975
  166   HD13  LEU  20          HD13      LEU  20   3.202   1.070  -2.061
  167   HD21  LEU  20          HD21      LEU  20   4.604  -0.680  -3.402
  168   HD22  LEU  20          HD22      LEU  20   3.104  -1.104  -4.226
  169   HD23  LEU  20          HD23      LEU  20   4.037  -2.351  -3.400
  170    H    GLU  21           HN       GLU  21   3.487  -3.089   1.279
  171    HA   GLU  21           HA       GLU  21   5.292  -2.116   3.151
  172    HB2  GLU  21           HB2      GLU  21   2.822  -3.220   3.286
  173    HB3  GLU  21           HB1      GLU  21   3.784  -4.518   3.977
  174    HG2  GLU  21           HG2      GLU  21   3.757  -1.665   4.941
  175    HG3  GLU  21           HG1      GLU  21   2.881  -3.005   5.678
  176    H    ASN  22           HN       ASN  22   5.065  -5.414   1.833
  177    HA   ASN  22           HA       ASN  22   7.266  -6.345   3.423
  178    HB2  ASN  22           HB2      ASN  22   5.629  -7.537   1.218
  179    HB3  ASN  22           HB1      ASN  22   7.141  -8.304   1.692
  180   HD21  ASN  22          HD21      ASN  22   3.890  -7.552   2.622
  181   HD22  ASN  22          HD22      ASN  22   3.852  -8.549   4.038
  182    H    GLU  23           HN       GLU  23   6.872  -4.986   0.224
  183    HA   GLU  23           HA       GLU  23   9.461  -5.628  -0.745
  184    HB2  GLU  23           HB2      GLU  23   7.561  -4.869  -2.166
  185    HB3  GLU  23           HB1      GLU  23   7.718  -3.264  -1.472
  186    HG2  GLU  23           HG2      GLU  23   9.859  -2.962  -2.466
  187    HG3  GLU  23           HG1      GLU  23   9.921  -4.648  -2.976
  188    H    VAL  24           HN       VAL  24   8.147  -2.921   1.095
  189    HA   VAL  24           HA       VAL  24  10.478  -1.364   1.281
  190    HB   VAL  24           HB       VAL  24   8.287  -1.699   3.354
  191   HG11  VAL  24          HG11      VAL  24   9.023   0.445   4.230
  192   HG12  VAL  24          HG12      VAL  24  10.308   0.513   3.024
  193   HG13  VAL  24          HG13      VAL  24  10.343  -0.726   4.279
  194   HG21  VAL  24          HG21      VAL  24   7.423  -0.934   1.204
  195   HG22  VAL  24          HG22      VAL  24   8.610   0.371   1.186
  196   HG23  VAL  24          HG23      VAL  24   7.347   0.346   2.415
  197    H    ALA  25           HN       ALA  25   9.263  -4.034   3.265
  198    HA   ALA  25           HA       ALA  25  11.191  -3.974   5.286
  199    HB1  ALA  25           HB1      ALA  25   9.728  -6.377   4.194
  200    HB2  ALA  25           HB2      ALA  25   9.115  -5.275   5.425
  201    HB3  ALA  25           HB3      ALA  25  10.530  -6.275   5.761
  202    H    ARG  26           HN       ARG  26  11.196  -5.626   2.157
  203    HA   ARG  26           HA       ARG  26  13.632  -7.010   2.483
  204    HB2  ARG  26           HB2      ARG  26  12.392  -5.958  -0.068
  205    HB3  ARG  26           HB1      ARG  26  13.657  -7.176   0.033
  206    HG2  ARG  26           HG2      ARG  26  10.838  -7.441   1.059
  207    HG3  ARG  26           HG1      ARG  26  11.511  -8.209  -0.381
  208    HD2  ARG  26           HD2      ARG  26  13.060  -9.478   0.988
  209    HD3  ARG  26           HD1      ARG  26  12.480  -8.661   2.439
  210    HE   ARG  26           HE       ARG  26  10.371  -9.964   1.026
  211   HH11  ARG  26          HH11      ARG  26  13.015 -10.516   3.253
  212   HH12  ARG  26          HH12      ARG  26  12.287 -11.919   3.969
  213   HH21  ARG  26          HH21      ARG  26   9.409 -11.803   1.964
  214   HH22  ARG  26          HH22      ARG  26  10.235 -12.653   3.233
  215    H    LEU  27           HN       LEU  27  12.938  -3.937   0.844
  216    HA   LEU  27           HA       LEU  27  15.594  -3.316   0.199
  217    HB2  LEU  27           HB2      LEU  27  13.092  -1.716   0.477
  218    HB3  LEU  27           HB1      LEU  27  14.618  -0.899   0.332
  219    HG   LEU  27           HG       LEU  27  14.997  -1.692  -1.852
  220   HD11  LEU  27          HD11      LEU  27  13.568  -3.330  -2.967
  221   HD12  LEU  27          HD12      LEU  27  12.618  -3.518  -1.493
  222   HD13  LEU  27          HD13      LEU  27  14.307  -4.024  -1.524
  223   HD21  LEU  27          HD21      LEU  27  12.967  -0.983  -3.049
  224   HD22  LEU  27          HD22      LEU  27  13.423   0.120  -1.750
  225   HD23  LEU  27          HD23      LEU  27  12.087  -1.009  -1.521
  226    H    LYS  28           HN       LYS  28  13.691  -2.632   3.074
  227    HA   LYS  28           HA       LYS  28  15.422  -0.750   4.240
  228    HB2  LYS  28           HB2      LYS  28  13.032  -1.280   4.897
  229    HB3  LYS  28           HB1      LYS  28  13.657  -2.695   5.729
  230    HG2  LYS  28           HG2      LYS  28  13.454  -1.154   7.429
  231    HG3  LYS  28           HG1      LYS  28  15.154  -1.009   6.988
  232    HD2  LYS  28           HD2      LYS  28  13.085   0.781   5.758
  233    HD3  LYS  28           HD1      LYS  28  13.758   1.143   7.345
  234    HE2  LYS  28           HE2      LYS  28  16.040   0.988   6.241
  235    HE3  LYS  28           HE1      LYS  28  15.182   0.983   4.703
  236    HZ1  LYS  28           HZ1      LYS  28  15.893   3.204   5.314
  237    HZ2  LYS  28           HZ2      LYS  28  15.011   3.114   6.750
  238    HZ3  LYS  28           HZ3      LYS  28  14.204   3.111   5.269
  239    H    LYS  29           HN       LYS  29  15.450  -4.227   4.148
  240    HA   LYS  29           HA       LYS  29  17.577  -4.475   6.096
  241    HB2  LYS  29           HB2      LYS  29  15.747  -6.179   5.670
  242    HB3  LYS  29           HB1      LYS  29  16.611  -6.582   4.193
  243    HG2  LYS  29           HG2      LYS  29  18.622  -7.057   5.583
  244    HG3  LYS  29           HG1      LYS  29  17.607  -6.841   7.017
  245    HD2  LYS  29           HD2      LYS  29  17.115  -8.807   4.807
  246    HD3  LYS  29           HD1      LYS  29  17.837  -9.208   6.371
  247    HE2  LYS  29           HE2      LYS  29  15.056  -8.130   5.890
  248    HE3  LYS  29           HE1      LYS  29  15.468  -9.783   6.334
  249    HZ1  LYS  29           HZ1      LYS  29  15.960  -7.378   8.004
  250    HZ2  LYS  29           HZ2      LYS  29  16.337  -8.968   8.431
  251    HZ3  LYS  29           HZ3      LYS  29  14.724  -8.505   8.240
  252    H    LEU  30           HN       LEU  30  17.194  -4.112   2.705
  253    HA   LEU  30           HA       LEU  30  19.749  -5.171   1.963
  254    HB2  LEU  30           HB2      LEU  30  17.741  -3.596   0.385
  255    HB3  LEU  30           HB1      LEU  30  19.186  -4.334  -0.278
  256    HG   LEU  30           HG       LEU  30  16.972  -5.885   1.059
  257   HD11  LEU  30          HD11      LEU  30  17.543  -5.553  -1.872
  258   HD12  LEU  30          HD12      LEU  30  16.223  -4.778  -0.999
  259   HD13  LEU  30          HD13      LEU  30  16.269  -6.533  -1.144
  260   HD21  LEU  30          HD21      LEU  30  19.445  -6.685  -0.456
  261   HD22  LEU  30          HD22      LEU  30  18.087  -7.774  -0.194
  262   HD23  LEU  30          HD23      LEU  30  18.976  -7.137   1.185
  263    H    VAL  31           HN       VAL  31  18.369  -1.925   2.350
  264    HA   VAL  31           HA       VAL  31  20.915  -0.698   1.759
  265    HB   VAL  31           HB       VAL  31  18.754   0.479   1.294
  266   HG11  VAL  31          HG11      VAL  31  17.501  -0.125   3.267
  267   HG12  VAL  31          HG12      VAL  31  17.615   1.630   3.115
  268   HG13  VAL  31          HG13      VAL  31  18.627   0.778   4.284
  269   HG21  VAL  31          HG21      VAL  31  20.750   1.837   3.090
  270   HG22  VAL  31          HG22      VAL  31  19.507   2.686   2.177
  271   HG23  VAL  31          HG23      VAL  31  20.753   1.775   1.327
  272    H    GLY  32           HN       GLY  32  19.561  -2.270   4.348
  273    HA2  GLY  32           HA2      GLY  32  20.475  -2.820   6.373
  274    HA3  GLY  32           HA1      GLY  32  21.852  -1.795   5.987
  275    H    GLU  33           HN       GLU  33  18.379  -1.257   6.495
  276    HA   GLU  33           HA       GLU  33  17.209   0.131   7.840
  277    HB2  GLU  33           HB2      GLU  33  19.727   0.196   9.514
  278    HB3  GLU  33           HB1      GLU  33  18.142   0.758  10.026
  279    HG2  GLU  33           HG2      GLU  33  18.864  -2.076   9.311
  280    HG3  GLU  33           HG1      GLU  33  18.649  -1.438  10.940
  281    H1   GLY   1           HT1      GLY   1 -26.599   4.884   4.650
  282    H2   GLY   1           HT2      GLY   1 -27.146   3.930   3.366
  283    H3   GLY   1           HT3      GLY   1 -27.516   5.578   3.412
  284    HA2  GLY   1           HA1      GLY   1 -25.759   5.157   1.820
  285    HA3  GLY   1           HA2      GLY   1 -25.200   6.158   3.152
  286    H    SER   2           HN       SER   2 -23.521   4.640   1.474
  287    HA   SER   2           HA       SER   2 -22.115   3.093   3.453
  288    HB2  SER   2           HB2      SER   2 -21.986   1.098   1.803
  289    HB3  SER   2           HB1      SER   2 -23.445   1.276   2.782
  290    HG   SER   2           HG       SER   2 -24.570   1.765   1.049
  291    H    MET   3           HN       MET   3 -22.384   4.325   0.191
  292    HA   MET   3           HA       MET   3 -20.004   3.544  -0.921
  293    HB2  MET   3           HB2      MET   3 -21.645   6.027  -1.329
  294    HB3  MET   3           HB1      MET   3 -20.178   5.728  -2.254
  295    HG2  MET   3           HG2      MET   3 -22.565   3.901  -2.147
  296    HG3  MET   3           HG1      MET   3 -22.201   5.034  -3.447
  297    HE1  MET   3           HE1      MET   3 -22.417   2.985  -5.164
  298    HE2  MET   3           HE2      MET   3 -22.714   1.867  -3.833
  299    HE3  MET   3           HE3      MET   3 -21.473   1.501  -5.030
  300    H    LYS   4           HN       LYS   4 -20.518   6.537   0.982
  301    HA   LYS   4           HA       LYS   4 -17.809   7.360   0.568
  302    HB2  LYS   4           HB2      LYS   4 -18.289   9.207   2.026
  303    HB3  LYS   4           HB1      LYS   4 -19.645   8.972   0.937
  304    HG2  LYS   4           HG2      LYS   4 -20.907   7.888   2.713
  305    HG3  LYS   4           HG1      LYS   4 -19.533   8.061   3.807
  306    HD2  LYS   4           HD2      LYS   4 -19.669  10.510   3.546
  307    HD3  LYS   4           HD1      LYS   4 -21.085  10.305   2.518
  308    HE2  LYS   4           HE2      LYS   4 -20.881   9.396   5.382
  309    HE3  LYS   4           HE1      LYS   4 -21.644  10.892   4.854
  310    HZ1  LYS   4           HZ1      LYS   4 -23.285   9.185   5.193
  311    HZ2  LYS   4           HZ2      LYS   4 -22.494   8.145   4.125
  312    HZ3  LYS   4           HZ3      LYS   4 -23.205   9.566   3.547
  313    H    GLN   5           HN       GLN   5 -19.110   5.054   2.564
  314    HA   GLN   5           HA       GLN   5 -17.204   5.453   4.745
  315    HB2  GLN   5           HB2      GLN   5 -19.452   3.448   4.435
  316    HB3  GLN   5           HB1      GLN   5 -18.421   3.602   5.849
  317    HG2  GLN   5           HG2      GLN   5 -19.277   5.835   6.252
  318    HG3  GLN   5           HG1      GLN   5 -20.283   5.722   4.808
  319   HE21  GLN   5          HE21      GLN   5 -19.794   4.594   8.059
  320   HE22  GLN   5          HE22      GLN   5 -21.364   3.895   8.266
  321    H    LEU   6           HN       LEU   6 -18.267   3.078   2.376
  322    HA   LEU   6           HA       LEU   6 -16.141   1.256   2.772
  323    HB2  LEU   6           HB2      LEU   6 -18.113   1.755   0.569
  324    HB3  LEU   6           HB1      LEU   6 -16.775   0.666   0.300
  325    HG   LEU   6           HG       LEU   6 -18.904  -0.474   0.897
  326   HD11  LEU   6          HD11      LEU   6 -17.945  -2.057   2.417
  327   HD12  LEU   6          HD12      LEU   6 -16.747  -0.889   2.963
  328   HD13  LEU   6          HD13      LEU   6 -16.686  -1.506   1.311
  329   HD21  LEU   6          HD21      LEU   6 -18.481   0.814   3.591
  330   HD22  LEU   6          HD22      LEU   6 -19.675  -0.428   3.215
  331   HD23  LEU   6          HD23      LEU   6 -19.791   1.164   2.465
  332    H    GLU   7           HN       GLU   7 -16.687   3.920   0.497
  333    HA   GLU   7           HA       GLU   7 -14.225   3.739  -0.843
  334    HB2  GLU   7           HB2      GLU   7 -16.165   5.078  -1.623
  335    HB3  GLU   7           HB1      GLU   7 -15.865   6.226  -0.328
  336    HG2  GLU   7           HG2      GLU   7 -13.700   6.767  -1.281
  337    HG3  GLU   7           HG1      GLU   7 -13.952   5.577  -2.558
  338    H    ASP   8           HN       ASP   8 -15.137   5.295   2.208
  339    HA   ASP   8           HA       ASP   8 -12.716   6.678   2.641
  340    HB2  ASP   8           HB2      ASP   8 -14.926   5.739   4.358
  341    HB3  ASP   8           HB1      ASP   8 -13.378   5.932   5.174
  342    H    LYS   9           HN       LYS   9 -13.613   3.328   3.193
  343    HA   LYS   9           HA       LYS   9 -11.263   2.559   4.570
  344    HB2  LYS   9           HB2      LYS   9 -13.125   0.877   2.880
  345    HB3  LYS   9           HB1      LYS   9 -11.941   0.258   4.020
  346    HG2  LYS   9           HG2      LYS   9 -14.283   2.000   4.758
  347    HG3  LYS   9           HG1      LYS   9 -14.251   0.241   4.888
  348    HD2  LYS   9           HD2      LYS   9 -12.323   2.089   6.291
  349    HD3  LYS   9           HD1      LYS   9 -13.786   1.433   7.027
  350    HE2  LYS   9           HE2      LYS   9 -12.945  -0.834   6.696
  351    HE3  LYS   9           HE1      LYS   9 -11.495  -0.192   5.925
  352    HZ1  LYS   9           HZ1      LYS   9 -12.305   0.356   8.726
  353    HZ2  LYS   9           HZ2      LYS   9 -10.878   0.863   7.978
  354    HZ3  LYS   9           HZ3      LYS   9 -11.143  -0.780   8.261
  355    H    VAL  10           HN       VAL  10 -12.204   2.501   1.168
  356    HA   VAL  10           HA       VAL  10  -9.953   1.140   0.171
  357    HB   VAL  10           HB       VAL  10 -11.431   3.253  -1.381
  358   HG11  VAL  10          HG11      VAL  10  -9.509   2.283  -2.479
  359   HG12  VAL  10          HG12      VAL  10 -10.990   1.741  -3.268
  360   HG13  VAL  10          HG13      VAL  10 -10.129   0.659  -2.172
  361   HG21  VAL  10          HG21      VAL  10 -13.145   1.718  -1.963
  362   HG22  VAL  10          HG22      VAL  10 -13.048   1.745  -0.202
  363   HG23  VAL  10          HG23      VAL  10 -12.342   0.405  -1.107
  364    H    GLU  11           HN       GLU  11 -10.650   4.633   0.370
  365    HA   GLU  11           HA       GLU  11  -8.176   5.387  -0.830
  366    HB2  GLU  11           HB2      GLU  11 -10.156   7.012   0.773
  367    HB3  GLU  11           HB1      GLU  11  -8.796   7.686  -0.113
  368    HG2  GLU  11           HG2      GLU  11  -9.748   6.755  -2.197
  369    HG3  GLU  11           HG1      GLU  11 -11.148   6.211  -1.271
  370    H    GLU  12           HN       GLU  12  -9.075   4.625   2.423
  371    HA   GLU  12           HA       GLU  12  -6.950   5.987   3.728
  372    HB2  GLU  12           HB2      GLU  12  -8.935   5.115   4.936
  373    HB3  GLU  12           HB1      GLU  12  -8.401   3.476   4.594
  374    HG2  GLU  12           HG2      GLU  12  -6.352   3.889   5.878
  375    HG3  GLU  12           HG1      GLU  12  -6.928   5.512   6.247
  376    H    LEU  13           HN       LEU  13  -7.395   2.704   2.492
  377    HA   LEU  13           HA       LEU  13  -4.735   1.866   3.014
  378    HB2  LEU  13           HB2      LEU  13  -6.751   0.841   1.016
  379    HB3  LEU  13           HB1      LEU  13  -5.233   0.050   1.396
  380    HG   LEU  13           HG       LEU  13  -7.589   0.436   3.238
  381   HD11  LEU  13          HD11      LEU  13  -7.805  -1.365   1.606
  382   HD12  LEU  13          HD12      LEU  13  -7.638  -1.995   3.245
  383   HD13  LEU  13          HD13      LEU  13  -6.266  -2.035   2.140
  384   HD21  LEU  13          HD21      LEU  13  -4.866  -0.716   3.831
  385   HD22  LEU  13          HD22      LEU  13  -6.268  -0.817   4.896
  386   HD23  LEU  13          HD23      LEU  13  -5.559   0.752   4.521
  387    H    LEU  14           HN       LEU  14  -6.304   3.585   0.447
  388    HA   LEU  14           HA       LEU  14  -4.313   3.475  -1.531
  389    HB2  LEU  14           HB2      LEU  14  -6.693   4.361  -1.697
  390    HB3  LEU  14           HB1      LEU  14  -6.105   5.822  -0.936
  391    HG   LEU  14           HG       LEU  14  -4.473   6.050  -2.851
  392   HD11  LEU  14          HD11      LEU  14  -6.257   3.957  -4.080
  393   HD12  LEU  14          HD12      LEU  14  -4.571   3.726  -3.615
  394   HD13  LEU  14          HD13      LEU  14  -4.984   4.857  -4.902
  395   HD21  LEU  14          HD21      LEU  14  -6.494   7.398  -2.682
  396   HD22  LEU  14          HD22      LEU  14  -7.422   6.125  -3.477
  397   HD23  LEU  14          HD23      LEU  14  -6.158   6.977  -4.361
  398    H    SER  15           HN       SER  15  -4.728   5.458   1.304
  399    HA   SER  15           HA       SER  15  -2.751   7.395   0.692
  400    HB2  SER  15           HB2      SER  15  -4.590   7.840   2.267
  401    HB3  SER  15           HB1      SER  15  -3.944   6.624   3.367
  402    HG   SER  15           HG       SER  15  -2.520   8.933   2.517
  403    H    LYS  16           HN       LYS  16  -2.756   4.517   2.811
  404    HA   LYS  16           HA       LYS  16   0.009   4.804   3.415
  405    HB2  LYS  16           HB2      LYS  16  -0.075   2.494   4.269
  406    HB3  LYS  16           HB1      LYS  16  -1.308   3.531   4.963
  407    HG2  LYS  16           HG2      LYS  16  -2.965   2.536   3.438
  408    HG3  LYS  16           HG1      LYS  16  -1.715   1.468   2.809
  409    HD2  LYS  16           HD2      LYS  16  -2.381   1.565   5.735
  410    HD3  LYS  16           HD1      LYS  16  -3.302   0.564   4.617
  411    HE2  LYS  16           HE2      LYS  16  -1.679  -0.867   5.522
  412    HE3  LYS  16           HE1      LYS  16  -1.075  -0.447   3.922
  413    HZ1  LYS  16           HZ1      LYS  16   0.616  -0.397   5.710
  414    HZ2  LYS  16           HZ2      LYS  16  -0.211   0.892   6.426
  415    HZ3  LYS  16           HZ3      LYS  16   0.465   1.071   4.888
  416    H    ASN  17           HN       ASN  17  -1.770   3.067   0.920
  417    HA   ASN  17           HA       ASN  17   0.346   1.742  -0.333
  418    HB2  ASN  17           HB2      ASN  17  -2.275   2.824  -1.174
  419    HB3  ASN  17           HB1      ASN  17  -1.093   2.656  -2.467
  420   HD21  ASN  17          HD21      ASN  17  -3.617   1.211  -1.747
  421   HD22  ASN  17          HD22      ASN  17  -3.173  -0.459  -1.741
  422    H    TYR  18           HN       TYR  18  -0.808   5.080  -0.675
  423    HA   TYR  18           HA       TYR  18   1.107   5.968  -2.519
  424    HB2  TYR  18           HB2      TYR  18  -0.822   7.312  -1.994
  425    HB3  TYR  18           HB1      TYR  18  -0.346   7.428  -0.306
  426    HD1  TYR  18           HD1      TYR  18   0.875   9.261   0.425
  427    HD2  TYR  18           HD2      TYR  18   0.787   8.369  -3.733
  428    HE1  TYR  18           HE1      TYR  18   2.046  11.370  -0.045
  429    HE2  TYR  18           HE2      TYR  18   1.962  10.476  -4.214
  430    HH   TYR  18           HH       TYR  18   2.311  12.668  -3.175
  431    H    HIS  19           HN       HIS  19   1.254   5.670   0.986
  432    HA   HIS  19           HA       HIS  19   3.768   7.014   1.215
  433    HB2  HIS  19           HB2      HIS  19   2.181   5.348   3.163
  434    HB3  HIS  19           HB1      HIS  19   3.724   6.094   3.570
  435    HD1  HIS  19           HD1      HIS  19   0.411   6.709   4.253
  436    HD2  HIS  19           HD2      HIS  19   3.384   9.078   2.574
  437    HE1  HIS  19           HE1      HIS  19  -0.346   9.082   4.577
  438    HE2  HIS  19           HE2      HIS  19   1.487  10.501   3.607
  439    H    LEU  20           HN       LEU  20   2.803   3.577   1.442
  440    HA   LEU  20           HA       LEU  20   5.336   2.469   1.829
  441    HB2  LEU  20           HB2      LEU  20   3.151   1.280   0.122
  442    HB3  LEU  20           HB1      LEU  20   4.443   0.398   0.900
  443    HG   LEU  20           HG       LEU  20   2.057   1.677   2.116
  444   HD11  LEU  20          HD11      LEU  20   1.722  -0.542   1.277
  445   HD12  LEU  20          HD12      LEU  20   1.682  -0.556   3.039
  446   HD13  LEU  20          HD13      LEU  20   3.117  -1.123   2.186
  447   HD21  LEU  20          HD21      LEU  20   4.476   0.627   3.573
  448   HD22  LEU  20          HD22      LEU  20   2.946   1.064   4.335
  449   HD23  LEU  20          HD23      LEU  20   3.920   2.302   3.540
  450    H    GLU  21           HN       GLU  21   3.564   3.009  -1.168
  451    HA   GLU  21           HA       GLU  21   5.437   2.015  -2.960
  452    HB2  GLU  21           HB2      GLU  21   2.980   3.134  -3.201
  453    HB3  GLU  21           HB1      GLU  21   3.978   4.421  -3.861
  454    HG2  GLU  21           HG2      GLU  21   3.968   1.562  -4.804
  455    HG3  GLU  21           HG1      GLU  21   3.135   2.903  -5.586
  456    H    ASN  22           HN       ASN  22   5.176   5.325  -1.675
  457    HA   ASN  22           HA       ASN  22   7.444   6.230  -3.181
  458    HB2  ASN  22           HB2      ASN  22   5.729   7.447  -1.053
  459    HB3  ASN  22           HB1      ASN  22   7.265   8.201  -1.470
  460   HD21  ASN  22          HD21      ASN  22   4.048   7.468  -2.524
  461   HD22  ASN  22          HD22      ASN  22   4.077   8.450  -3.951
  462    H    GLU  23           HN       GLU  23   6.916   4.903   0.011
  463    HA   GLU  23           HA       GLU  23   9.467   5.534   1.078
  464    HB2  GLU  23           HB2      GLU  23   7.505   4.800   2.425
  465    HB3  GLU  23           HB1      GLU  23   7.677   3.189   1.748
  466    HG2  GLU  23           HG2      GLU  23   9.774   2.877   2.830
  467    HG3  GLU  23           HG1      GLU  23   9.823   4.565   3.337
  468    H    VAL  24           HN       VAL  24   8.212   2.818  -0.791
  469    HA   VAL  24           HA       VAL  24  10.536   1.244  -0.869
  470    HB   VAL  24           HB       VAL  24   8.435   1.579  -3.034
  471   HG11  VAL  24          HG11      VAL  24   9.190  -0.577  -3.862
  472   HG12  VAL  24          HG12      VAL  24  10.424  -0.645  -2.604
  473   HG13  VAL  24          HG13      VAL  24  10.519   0.585  -3.866
  474   HG21  VAL  24          HG21      VAL  24   7.476   0.834  -0.915
  475   HG22  VAL  24          HG22      VAL  24   8.653  -0.479  -0.841
  476   HG23  VAL  24          HG23      VAL  24   7.440  -0.453  -2.121
  477    H    ALA  25           HN       ALA  25   9.420   3.904  -2.925
  478    HA   ALA  25           HA       ALA  25  11.428   3.814  -4.867
  479    HB1  ALA  25           HB1      ALA  25   9.936   6.239  -3.855
  480    HB2  ALA  25           HB2      ALA  25   9.368   5.131  -5.104
  481    HB3  ALA  25           HB3      ALA  25  10.803   6.118  -5.387
  482    H    ARG  26           HN       ARG  26  11.319   5.486  -1.751
  483    HA   ARG  26           HA       ARG  26  13.773   6.857  -1.989
  484    HB2  ARG  26           HB2      ARG  26  12.427   5.835   0.519
  485    HB3  ARG  26           HB1      ARG  26  13.703   7.043   0.458
  486    HG2  ARG  26           HG2      ARG  26  10.930   7.324  -0.682
  487    HG3  ARG  26           HG1      ARG  26  11.549   8.094   0.779
  488    HD2  ARG  26           HD2      ARG  26  13.161   9.347  -0.533
  489    HD3  ARG  26           HD1      ARG  26  12.634   8.524  -2.002
  490    HE   ARG  26           HE       ARG  26  10.484   9.857  -0.679
  491   HH11  ARG  26          HH11      ARG  26  13.215  10.373  -2.815
  492   HH12  ARG  26          HH12      ARG  26  12.514  11.768  -3.570
  493   HH21  ARG  26          HH21      ARG  26   9.572  11.686  -1.677
  494   HH22  ARG  26          HH22      ARG  26  10.444  12.510  -2.929
  495    H    LEU  27           HN       LEU  27  12.998   3.803  -0.346
  496    HA   LEU  27           HA       LEU  27  15.620   3.168   0.405
  497    HB2  LEU  27           HB2      LEU  27  13.119   1.587   0.035
  498    HB3  LEU  27           HB1      LEU  27  14.631   0.757   0.249
  499    HG   LEU  27           HG       LEU  27  14.925   1.562   2.441
  500   HD11  LEU  27          HD11      LEU  27  13.472   3.220   3.484
  501   HD12  LEU  27          HD12      LEU  27  12.577   3.404   1.977
  502   HD13  LEU  27          HD13      LEU  27  14.267   3.897   2.063
  503   HD21  LEU  27          HD21      LEU  27  12.841   0.877   3.558
  504   HD22  LEU  27          HD22      LEU  27  13.342  -0.239   2.287
  505   HD23  LEU  27          HD23      LEU  27  12.025   0.898   1.995
  506    H    LYS  28           HN       LYS  28  13.825   2.473  -2.540
  507    HA   LYS  28           HA       LYS  28  15.594   0.579  -3.624
  508    HB2  LYS  28           HB2      LYS  28  13.234   1.113  -4.379
  509    HB3  LYS  28           HB1      LYS  28  13.900   2.516  -5.197
  510    HG2  LYS  28           HG2      LYS  28  13.761   0.967  -6.890
  511    HG3  LYS  28           HG1      LYS  28  15.438   0.811  -6.378
  512    HD2  LYS  28           HD2      LYS  28  13.305  -0.961  -5.228
  513    HD3  LYS  28           HD1      LYS  28  14.046  -1.333  -6.783
  514    HE2  LYS  28           HE2      LYS  28  16.278  -1.188  -5.587
  515    HE3  LYS  28           HE1      LYS  28  15.360  -1.160  -4.083
  516    HZ1  LYS  28           HZ1      LYS  28  16.087  -3.392  -4.652
  517    HZ2  LYS  28           HZ2      LYS  28  15.254  -3.317  -6.115
  518    HZ3  LYS  28           HZ3      LYS  28  14.401  -3.294  -4.659
  519    H    LYS  29           HN       LYS  29  15.639   4.051  -3.557
  520    HA   LYS  29           HA       LYS  29  17.843   4.270  -5.420
  521    HB2  LYS  29           HB2      LYS  29  16.009   5.990  -5.083
  522    HB3  LYS  29           HB1      LYS  29  16.813   6.398  -3.573
  523    HG2  LYS  29           HG2      LYS  29  18.884   6.851  -4.878
  524    HG3  LYS  29           HG1      LYS  29  17.931   6.629  -6.353
  525    HD2  LYS  29           HD2      LYS  29  17.355   8.614  -4.182
  526    HD3  LYS  29           HD1      LYS  29  18.148   8.999  -5.714
  527    HE2  LYS  29           HE2      LYS  29  15.343   7.936  -5.356
  528    HE3  LYS  29           HE1      LYS  29  15.781   9.590  -5.774
  529    HZ1  LYS  29           HZ1      LYS  29  16.341   7.192  -7.435
  530    HZ2  LYS  29           HZ2      LYS  29  16.742   8.784  -7.834
  531    HZ3  LYS  29           HZ3      LYS  29  15.119   8.325  -7.720
  532    H    LEU  30           HN       LEU  30  17.321   3.931  -2.044
  533    HA   LEU  30           HA       LEU  30  19.847   4.986  -1.207
  534    HB2  LEU  30           HB2      LEU  30  17.768   3.437   0.301
  535    HB3  LEU  30           HB1      LEU  30  19.193   4.165   1.018
  536    HG   LEU  30           HG       LEU  30  17.049   5.728  -0.419
  537   HD11  LEU  30          HD11      LEU  30  17.496   5.413   2.536
  538   HD12  LEU  30          HD12      LEU  30  16.205   4.644   1.614
  539   HD13  LEU  30          HD13      LEU  30  16.263   6.400   1.750
  540   HD21  LEU  30          HD21      LEU  30  19.464   6.517   1.190
  541   HD22  LEU  30          HD22      LEU  30  18.126   7.616   0.872
  542   HD23  LEU  30          HD23      LEU  30  19.064   6.965  -0.469
  543    H    VAL  31           HN       VAL  31  18.469   1.747  -1.626
  544    HA   VAL  31           HA       VAL  31  20.981   0.508  -0.918
  545    HB   VAL  31           HB       VAL  31  18.793  -0.652  -0.539
  546   HG11  VAL  31          HG11      VAL  31  17.627  -0.052  -2.567
  547   HG12  VAL  31          HG12      VAL  31  17.722  -1.807  -2.400
  548   HG13  VAL  31          HG13      VAL  31  18.787  -0.968  -3.530
  549   HG21  VAL  31          HG21      VAL  31  20.851  -2.035  -2.245
  550   HG22  VAL  31          HG22      VAL  31  19.567  -2.869  -1.377
  551   HG23  VAL  31          HG23      VAL  31  20.785  -1.961  -0.483
  552    H    GLY  32           HN       GLY  32  19.734   2.063  -3.581
  553    HA2  GLY  32           HA2      GLY  32  20.746   2.597  -5.566
  554    HA3  GLY  32           HA1      GLY  32  22.093   1.563  -5.113
  555    H    GLU  33           HN       GLU  33  18.645   1.041  -5.756
  556    HA   GLU  33           HA       GLU  33  17.520  -0.347  -7.135
  557    HB2  GLU  33           HB2      GLU  33  20.098  -0.439  -8.714
  558    HB3  GLU  33           HB1      GLU  33  18.530  -0.994  -9.282
  559    HG2  GLU  33           HG2      GLU  33  19.245   1.839  -8.556
  560    HG3  GLU  33           HG1      GLU  33  19.090   1.195 -10.188
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1 -26.651  -3.976  -4.992
    2    H2   GLY   1           HT2      GLY   1 -27.305  -5.211  -4.045
    3    H3   GLY   1           HT3      GLY   1 -25.939  -5.509  -4.996
    4    HA2  GLY   1           HA1      GLY   1 -26.076  -3.690  -2.661
    5    HA3  GLY   1           HA2      GLY   1 -25.309  -5.271  -2.689
    6    H    SER   2           HN       SER   2 -23.788  -3.225  -1.907
    7    HA   SER   2           HA       SER   2 -22.000  -2.808  -4.203
    8    HB2  SER   2           HB2      SER   2 -21.430  -0.577  -3.007
    9    HB3  SER   2           HB1      SER   2 -22.928  -0.668  -3.939
   10    HG   SER   2           HG       SER   2 -22.715  -1.061  -1.129
   11    H    MET   3           HN       MET   3 -22.378  -4.040  -1.121
   12    HA   MET   3           HA       MET   3 -20.135  -3.124   0.262
   13    HB2  MET   3           HB2      MET   3 -21.627  -5.730   0.539
   14    HB3  MET   3           HB1      MET   3 -20.418  -5.161   1.678
   15    HG2  MET   3           HG2      MET   3 -23.009  -3.784   1.015
   16    HG3  MET   3           HG1      MET   3 -22.677  -4.724   2.466
   17    HE1  MET   3           HE1      MET   3 -20.007  -2.523   4.287
   18    HE2  MET   3           HE2      MET   3 -19.679  -3.837   3.159
   19    HE3  MET   3           HE3      MET   3 -20.974  -3.996   4.346
   20    H    LYS   4           HN       LYS   4 -20.496  -6.200  -1.530
   21    HA   LYS   4           HA       LYS   4 -17.827  -6.974  -0.913
   22    HB2  LYS   4           HB2      LYS   4 -18.209  -8.841  -2.509
   23    HB3  LYS   4           HB1      LYS   4 -19.427  -8.708  -1.252
   24    HG2  LYS   4           HG2      LYS   4 -21.014  -7.800  -2.780
   25    HG3  LYS   4           HG1      LYS   4 -19.787  -7.627  -4.035
   26    HD2  LYS   4           HD2      LYS   4 -21.218  -9.571  -4.441
   27    HD3  LYS   4           HD1      LYS   4 -19.548 -10.050  -4.153
   28    HE2  LYS   4           HE2      LYS   4 -21.076 -11.538  -2.990
   29    HE3  LYS   4           HE1      LYS   4 -20.114 -10.618  -1.838
   30    HZ1  LYS   4           HZ1      LYS   4 -21.982  -9.157  -1.473
   31    HZ2  LYS   4           HZ2      LYS   4 -22.447 -10.756  -1.196
   32    HZ3  LYS   4           HZ3      LYS   4 -22.906  -9.979  -2.624
   33    H    GLN   5           HN       GLN   5 -19.087  -4.981  -3.392
   34    HA   GLN   5           HA       GLN   5 -16.890  -5.492  -5.219
   35    HB2  GLN   5           HB2      GLN   5 -19.055  -3.395  -5.451
   36    HB3  GLN   5           HB1      GLN   5 -17.931  -3.885  -6.708
   37    HG2  GLN   5           HG2      GLN   5 -19.604  -5.176  -7.406
   38    HG3  GLN   5           HG1      GLN   5 -19.111  -6.249  -6.094
   39   HE21  GLN   5          HE21      GLN   5 -21.402  -3.869  -7.142
   40   HE22  GLN   5          HE22      GLN   5 -22.583  -4.163  -5.909
   41    H    LEU   6           HN       LEU   6 -18.120  -2.972  -3.097
   42    HA   LEU   6           HA       LEU   6 -15.982  -1.170  -3.467
   43    HB2  LEU   6           HB2      LEU   6 -18.062  -1.618  -1.383
   44    HB3  LEU   6           HB1      LEU   6 -16.682  -0.640  -0.954
   45    HG   LEU   6           HG       LEU   6 -18.707   0.644  -1.689
   46   HD11  LEU   6          HD11      LEU   6 -16.429   1.595  -1.748
   47   HD12  LEU   6          HD12      LEU   6 -17.481   2.254  -2.999
   48   HD13  LEU   6          HD13      LEU   6 -16.266   1.050  -3.417
   49   HD21  LEU   6          HD21      LEU   6 -19.429  -0.873  -3.474
   50   HD22  LEU   6          HD22      LEU   6 -17.993  -0.454  -4.408
   51   HD23  LEU   6          HD23      LEU   6 -19.210   0.775  -4.062
   52    H    GLU   7           HN       GLU   7 -16.577  -3.745  -1.086
   53    HA   GLU   7           HA       GLU   7 -14.110  -3.627   0.222
   54    HB2  GLU   7           HB2      GLU   7 -15.941  -5.968  -0.280
   55    HB3  GLU   7           HB1      GLU   7 -14.511  -6.063   0.738
   56    HG2  GLU   7           HG2      GLU   7 -15.449  -4.317   2.185
   57    HG3  GLU   7           HG1      GLU   7 -16.897  -4.286   1.181
   58    H    ASP   8           HN       ASP   8 -15.047  -5.186  -2.820
   59    HA   ASP   8           HA       ASP   8 -12.697  -6.640  -3.281
   60    HB2  ASP   8           HB2      ASP   8 -14.697  -5.357  -5.087
   61    HB3  ASP   8           HB1      ASP   8 -13.180  -5.907  -5.788
   62    H    LYS   9           HN       LYS   9 -13.360  -3.217  -3.760
   63    HA   LYS   9           HA       LYS   9 -10.850  -2.645  -5.004
   64    HB2  LYS   9           HB2      LYS   9 -12.813  -0.783  -3.655
   65    HB3  LYS   9           HB1      LYS   9 -11.479  -0.288  -4.685
   66    HG2  LYS   9           HG2      LYS   9 -13.807  -1.980  -5.570
   67    HG3  LYS   9           HG1      LYS   9 -13.652  -0.243  -5.830
   68    HD2  LYS   9           HD2      LYS   9 -11.674  -2.282  -6.840
   69    HD3  LYS   9           HD1      LYS   9 -13.015  -1.656  -7.796
   70    HE2  LYS   9           HE2      LYS   9 -10.813   0.012  -6.583
   71    HE3  LYS   9           HE1      LYS   9 -10.881  -0.507  -8.265
   72    HZ1  LYS   9           HZ1      LYS   9 -12.871   1.231  -6.908
   73    HZ2  LYS   9           HZ2      LYS   9 -12.939   0.735  -8.522
   74    HZ3  LYS   9           HZ3      LYS   9 -11.692   1.748  -8.004
   75    H    VAL  10           HN       VAL  10 -12.149  -2.357  -1.732
   76    HA   VAL  10           HA       VAL  10 -10.039  -0.995  -0.524
   77    HB   VAL  10           HB       VAL  10 -11.578  -3.191   0.853
   78   HG11  VAL  10          HG11      VAL  10 -10.374  -0.616   1.844
   79   HG12  VAL  10          HG12      VAL  10  -9.741  -2.242   2.118
   80   HG13  VAL  10          HG13      VAL  10 -11.284  -1.765   2.827
   81   HG21  VAL  10          HG21      VAL  10 -13.338  -1.674   1.374
   82   HG22  VAL  10          HG22      VAL  10 -13.122  -1.654  -0.377
   83   HG23  VAL  10          HG23      VAL  10 -12.485  -0.338   0.609
   84    H    GLU  11           HN       GLU  11 -10.607  -4.517  -0.571
   85    HA   GLU  11           HA       GLU  11  -8.104  -5.094   0.664
   86    HB2  GLU  11           HB2      GLU  11  -8.648  -7.436   0.243
   87    HB3  GLU  11           HB1      GLU  11 -10.047  -6.583   0.879
   88    HG2  GLU  11           HG2      GLU  11 -10.981  -6.426  -1.366
   89    HG3  GLU  11           HG1      GLU  11  -9.574  -7.269  -2.012
   90    H    GLU  12           HN       GLU  12  -8.983  -4.425  -2.579
   91    HA   GLU  12           HA       GLU  12  -6.917  -5.868  -3.900
   92    HB2  GLU  12           HB2      GLU  12  -9.061  -4.440  -4.771
   93    HB3  GLU  12           HB1      GLU  12  -7.776  -3.276  -5.053
   94    HG2  GLU  12           HG2      GLU  12  -7.949  -6.067  -6.168
   95    HG3  GLU  12           HG1      GLU  12  -8.193  -4.563  -7.050
   96    H    LEU  13           HN       LEU  13  -7.244  -2.578  -2.661
   97    HA   LEU  13           HA       LEU  13  -4.531  -1.853  -3.168
   98    HB2  LEU  13           HB2      LEU  13  -6.498  -0.669  -1.210
   99    HB3  LEU  13           HB1      LEU  13  -5.016   0.084  -1.766
  100    HG   LEU  13           HG       LEU  13  -7.418  -0.548  -3.481
  101   HD11  LEU  13          HD11      LEU  13  -6.334   2.066  -2.459
  102   HD12  LEU  13          HD12      LEU  13  -7.828   1.280  -1.946
  103   HD13  LEU  13          HD13      LEU  13  -7.669   1.879  -3.597
  104   HD21  LEU  13          HD21      LEU  13  -5.354  -0.722  -4.752
  105   HD22  LEU  13          HD22      LEU  13  -4.832   0.853  -4.155
  106   HD23  LEU  13          HD23      LEU  13  -6.239   0.731  -5.211
  107    H    LEU  14           HN       LEU  14  -6.260  -3.372  -0.556
  108    HA   LEU  14           HA       LEU  14  -4.298  -3.276   1.450
  109    HB2  LEU  14           HB2      LEU  14  -6.744  -4.055   1.576
  110    HB3  LEU  14           HB1      LEU  14  -6.154  -5.593   0.983
  111    HG   LEU  14           HG       LEU  14  -4.643  -5.726   2.958
  112   HD11  LEU  14          HD11      LEU  14  -4.529  -3.315   3.415
  113   HD12  LEU  14          HD12      LEU  14  -5.036  -4.239   4.834
  114   HD13  LEU  14          HD13      LEU  14  -6.228  -3.344   3.892
  115   HD21  LEU  14          HD21      LEU  14  -6.797  -6.878   2.921
  116   HD22  LEU  14          HD22      LEU  14  -7.583  -5.437   3.566
  117   HD23  LEU  14          HD23      LEU  14  -6.405  -6.310   4.544
  118    H    SER  15           HN       SER  15  -4.797  -5.383  -1.271
  119    HA   SER  15           HA       SER  15  -2.835  -7.313  -0.673
  120    HB2  SER  15           HB2      SER  15  -4.675  -7.615  -2.355
  121    HB3  SER  15           HB1      SER  15  -3.841  -6.475  -3.408
  122    HG   SER  15           HG       SER  15  -2.792  -8.162  -4.085
  123    H    LYS  16           HN       LYS  16  -2.826  -4.228  -2.405
  124    HA   LYS  16           HA       LYS  16  -0.080  -4.402  -3.093
  125    HB2  LYS  16           HB2      LYS  16  -1.785  -1.921  -2.792
  126    HB3  LYS  16           HB1      LYS  16  -0.157  -1.967  -3.452
  127    HG2  LYS  16           HG2      LYS  16  -1.127  -3.653  -5.136
  128    HG3  LYS  16           HG1      LYS  16  -2.695  -3.037  -4.613
  129    HD2  LYS  16           HD2      LYS  16  -0.432  -1.473  -5.850
  130    HD3  LYS  16           HD1      LYS  16  -2.009  -1.814  -6.559
  131    HE2  LYS  16           HE2      LYS  16  -3.049  -0.502  -4.714
  132    HE3  LYS  16           HE1      LYS  16  -1.423  -0.071  -4.171
  133    HZ1  LYS  16           HZ1      LYS  16  -2.429   1.643  -5.572
  134    HZ2  LYS  16           HZ2      LYS  16  -2.536   0.550  -6.853
  135    HZ3  LYS  16           HZ3      LYS  16  -1.022   1.015  -6.264
  136    H    ASN  17           HN       ASN  17  -1.823  -3.009  -0.294
  137    HA   ASN  17           HA       ASN  17   0.401  -1.945   1.066
  138    HB2  ASN  17           HB2      ASN  17  -1.960  -3.454   2.272
  139    HB3  ASN  17           HB1      ASN  17  -0.857  -2.413   3.156
  140   HD21  ASN  17          HD21      ASN  17  -0.736  -0.343   1.180
  141   HD22  ASN  17          HD22      ASN  17  -2.276   0.441   1.188
  142    H    TYR  18           HN       TYR  18  -0.847  -5.256   0.791
  143    HA   TYR  18           HA       TYR  18   1.008  -6.439   2.577
  144    HB2  TYR  18           HB2      TYR  18  -1.012  -7.604   1.831
  145    HB3  TYR  18           HB1      TYR  18  -0.402  -7.638   0.180
  146    HD1  TYR  18           HD1      TYR  18   0.942  -9.417  -0.553
  147    HD2  TYR  18           HD2      TYR  18   0.302  -8.865   3.615
  148    HE1  TYR  18           HE1      TYR  18   2.031 -11.575  -0.107
  149    HE2  TYR  18           HE2      TYR  18   1.390 -11.020   4.073
  150    HH   TYR  18           HH       TYR  18   3.205 -12.692   1.749
  151    H    HIS  19           HN       HIS  19   1.042  -6.445  -0.996
  152    HA   HIS  19           HA       HIS  19   3.614  -7.620  -1.163
  153    HB2  HIS  19           HB2      HIS  19   1.912  -6.183  -3.192
  154    HB3  HIS  19           HB1      HIS  19   3.480  -6.871  -3.591
  155    HD1  HIS  19           HD1      HIS  19   3.491  -9.271  -4.268
  156    HD2  HIS  19           HD2      HIS  19  -0.007  -8.207  -2.289
  157    HE1  HIS  19           HE1      HIS  19   1.987 -11.278  -4.424
  158    HE2  HIS  19           HE2      HIS  19  -0.172 -10.558  -3.350
  159    H    LEU  20           HN       LEU  20   2.538  -4.266  -1.280
  160    HA   LEU  20           HA       LEU  20   4.963  -3.194  -2.218
  161    HB2  LEU  20           HB2      LEU  20   2.779  -2.133  -2.545
  162    HB3  LEU  20           HB1      LEU  20   2.594  -1.936  -0.814
  163    HG   LEU  20           HG       LEU  20   4.351  -0.393  -0.742
  164   HD11  LEU  20          HD11      LEU  20   5.726  -1.389  -2.537
  165   HD12  LEU  20          HD12      LEU  20   5.541   0.350  -2.698
  166   HD13  LEU  20          HD13      LEU  20   4.597  -0.728  -3.716
  167   HD21  LEU  20          HD21      LEU  20   3.410   1.427  -2.012
  168   HD22  LEU  20          HD22      LEU  20   2.136   0.450  -1.275
  169   HD23  LEU  20          HD23      LEU  20   2.498   0.280  -2.993
  170    H    GLU  21           HN       GLU  21   3.600  -3.780   0.986
  171    HA   GLU  21           HA       GLU  21   5.750  -2.511   2.365
  172    HB2  GLU  21           HB2      GLU  21   3.407  -2.956   3.313
  173    HB3  GLU  21           HB1      GLU  21   3.944  -4.620   3.530
  174    HG2  GLU  21           HG2      GLU  21   5.776  -3.836   4.954
  175    HG3  GLU  21           HG1      GLU  21   5.206  -2.179   4.753
  176    H    ASN  22           HN       ASN  22   5.062  -5.750   1.218
  177    HA   ASN  22           HA       ASN  22   7.248  -7.063   2.407
  178    HB2  ASN  22           HB2      ASN  22   5.867  -7.550  -0.239
  179    HB3  ASN  22           HB1      ASN  22   7.124  -8.600   0.399
  180   HD21  ASN  22          HD21      ASN  22   6.230  -8.308   3.163
  181   HD22  ASN  22          HD22      ASN  22   4.783  -9.242   3.292
  182    H    GLU  23           HN       GLU  23   6.964  -4.972  -0.386
  183    HA   GLU  23           HA       GLU  23   9.629  -5.338  -1.323
  184    HB2  GLU  23           HB2      GLU  23   7.825  -2.930  -1.655
  185    HB3  GLU  23           HB1      GLU  23   9.270  -3.274  -2.593
  186    HG2  GLU  23           HG2      GLU  23   6.725  -4.882  -2.577
  187    HG3  GLU  23           HG1      GLU  23   7.279  -3.805  -3.858
  188    H    VAL  24           HN       VAL  24   8.084  -2.856   0.707
  189    HA   VAL  24           HA       VAL  24  10.311  -1.279   1.206
  190    HB   VAL  24           HB       VAL  24   7.963  -1.835   3.058
  191   HG11  VAL  24          HG11      VAL  24  10.004   0.393   3.156
  192   HG12  VAL  24          HG12      VAL  24   9.920  -0.961   4.287
  193   HG13  VAL  24          HG13      VAL  24   8.605   0.213   4.217
  194   HG21  VAL  24          HG21      VAL  24   7.281  -0.846   0.987
  195   HG22  VAL  24          HG22      VAL  24   8.542   0.380   1.115
  196   HG23  VAL  24          HG23      VAL  24   7.210   0.365   2.265
  197    H    ALA  25           HN       ALA  25   9.086  -4.035   3.100
  198    HA   ALA  25           HA       ALA  25  10.922  -3.900   5.197
  199    HB1  ALA  25           HB1      ALA  25   8.871  -5.261   5.241
  200    HB2  ALA  25           HB2      ALA  25  10.296  -6.201   5.691
  201    HB3  ALA  25           HB3      ALA  25   9.598  -6.373   4.081
  202    H    ARG  26           HN       ARG  26  11.121  -5.605   2.111
  203    HA   ARG  26           HA       ARG  26  13.550  -6.951   2.643
  204    HB2  ARG  26           HB2      ARG  26  11.960  -7.588   0.844
  205    HB3  ARG  26           HB1      ARG  26  12.398  -6.128  -0.027
  206    HG2  ARG  26           HG2      ARG  26  13.647  -7.782  -1.064
  207    HG3  ARG  26           HG1      ARG  26  14.795  -7.036   0.046
  208    HD2  ARG  26           HD2      ARG  26  13.240  -9.557   0.615
  209    HD3  ARG  26           HD1      ARG  26  14.893  -9.517   0.018
  210    HE   ARG  26           HE       ARG  26  14.042  -8.510   2.660
  211   HH11  ARG  26          HH11      ARG  26  16.450  -9.936   0.552
  212   HH12  ARG  26          HH12      ARG  26  17.598 -10.185   1.827
  213   HH21  ARG  26          HH21      ARG  26  15.560  -8.824   4.333
  214   HH22  ARG  26          HH22      ARG  26  17.096  -9.549   3.977
  215    H    LEU  27           HN       LEU  27  12.817  -3.986   0.842
  216    HA   LEU  27           HA       LEU  27  15.447  -3.324   0.139
  217    HB2  LEU  27           HB2      LEU  27  12.934  -1.723   0.489
  218    HB3  LEU  27           HB1      LEU  27  14.448  -0.926   0.164
  219    HG   LEU  27           HG       LEU  27  14.583  -1.726  -2.009
  220   HD11  LEU  27          HD11      LEU  27  14.223  -4.100  -1.529
  221   HD12  LEU  27          HD12      LEU  27  13.276  -3.564  -2.915
  222   HD13  LEU  27          HD13      LEU  27  12.494  -3.798  -1.353
  223   HD21  LEU  27          HD21      LEU  27  12.820  -0.104  -1.815
  224   HD22  LEU  27          HD22      LEU  27  11.663  -1.362  -1.384
  225   HD23  LEU  27          HD23      LEU  27  12.359  -1.323  -3.003
  226    H    LYS  28           HN       LYS  28  13.525  -2.492   2.984
  227    HA   LYS  28           HA       LYS  28  15.271  -0.551   4.026
  228    HB2  LYS  28           HB2      LYS  28  12.824  -1.043   4.637
  229    HB3  LYS  28           HB1      LYS  28  13.471  -2.270   5.716
  230    HG2  LYS  28           HG2      LYS  28  12.983  -0.144   6.855
  231    HG3  LYS  28           HG1      LYS  28  14.685  -0.603   6.961
  232    HD2  LYS  28           HD2      LYS  28  15.327   1.009   5.373
  233    HD3  LYS  28           HD1      LYS  28  13.670   1.248   4.823
  234    HE2  LYS  28           HE2      LYS  28  14.451   3.118   6.177
  235    HE3  LYS  28           HE1      LYS  28  13.099   2.287   6.944
  236    HZ1  LYS  28           HZ1      LYS  28  15.966   1.973   7.654
  237    HZ2  LYS  28           HZ2      LYS  28  14.690   1.126   8.364
  238    HZ3  LYS  28           HZ3      LYS  28  14.798   2.799   8.554
  239    H    LYS  29           HN       LYS  29  15.316  -4.027   4.188
  240    HA   LYS  29           HA       LYS  29  17.196  -4.214   6.331
  241    HB2  LYS  29           HB2      LYS  29  15.805  -6.117   5.764
  242    HB3  LYS  29           HB1      LYS  29  16.465  -6.160   4.135
  243    HG2  LYS  29           HG2      LYS  29  17.419  -7.915   5.507
  244    HG3  LYS  29           HG1      LYS  29  18.660  -6.744   5.039
  245    HD2  LYS  29           HD2      LYS  29  18.398  -5.651   7.244
  246    HD3  LYS  29           HD1      LYS  29  17.250  -6.918   7.704
  247    HE2  LYS  29           HE2      LYS  29  18.987  -8.604   7.403
  248    HE3  LYS  29           HE1      LYS  29  20.127  -7.353   6.911
  249    HZ1  LYS  29           HZ1      LYS  29  20.483  -7.908   9.200
  250    HZ2  LYS  29           HZ2      LYS  29  18.860  -7.640   9.579
  251    HZ3  LYS  29           HZ3      LYS  29  19.845  -6.344   9.126
  252    H    LEU  30           HN       LEU  30  17.422  -4.019   2.836
  253    HA   LEU  30           HA       LEU  30  20.251  -4.436   2.742
  254    HB2  LEU  30           HB2      LEU  30  18.192  -3.599   0.728
  255    HB3  LEU  30           HB1      LEU  30  19.898  -3.473   0.351
  256    HG   LEU  30           HG       LEU  30  20.127  -5.918   0.784
  257   HD11  LEU  30          HD11      LEU  30  18.131  -7.307   0.857
  258   HD12  LEU  30          HD12      LEU  30  17.124  -5.861   0.936
  259   HD13  LEU  30          HD13      LEU  30  18.227  -6.240   2.258
  260   HD21  LEU  30          HD21      LEU  30  18.115  -5.143  -1.317
  261   HD22  LEU  30          HD22      LEU  30  19.064  -6.630  -1.294
  262   HD23  LEU  30          HD23      LEU  30  19.870  -5.072  -1.478
  263    H    VAL  31           HN       VAL  31  18.109  -1.648   2.797
  264    HA   VAL  31           HA       VAL  31  20.208   0.294   2.630
  265    HB   VAL  31           HB       VAL  31  17.453   0.577   3.867
  266   HG11  VAL  31          HG11      VAL  31  18.994   2.322   4.593
  267   HG12  VAL  31          HG12      VAL  31  17.758   2.977   3.517
  268   HG13  VAL  31          HG13      VAL  31  19.389   2.684   2.913
  269   HG21  VAL  31          HG21      VAL  31  18.396   1.214   1.073
  270   HG22  VAL  31          HG22      VAL  31  16.804   1.595   1.731
  271   HG23  VAL  31          HG23      VAL  31  17.297  -0.086   1.534
  272    H    GLY  32           HN       GLY  32  18.856  -1.733   5.035
  273    HA2  GLY  32           HA2      GLY  32  19.667  -0.424   7.383
  274    HA3  GLY  32           HA1      GLY  32  19.347  -2.146   7.208
  275    H    GLU  33           HN       GLU  33  21.242  -3.042   5.552
  276    HA   GLU  33           HA       GLU  33  23.770  -2.253   6.838
  277    HB2  GLU  33           HB2      GLU  33  22.913  -4.430   7.685
  278    HB3  GLU  33           HB1      GLU  33  22.960  -5.058   6.043
  279    HG2  GLU  33           HG2      GLU  33  25.389  -4.672   5.994
  280    HG3  GLU  33           HG1      GLU  33  25.318  -4.119   7.664
  281    H1   GLY   1           HT1      GLY   1 -26.805   4.140   3.873
  282    H2   GLY   1           HT2      GLY   1 -27.418   5.374   2.896
  283    H3   GLY   1           HT3      GLY   1 -26.092   5.669   3.898
  284    HA2  GLY   1           HA1      GLY   1 -26.142   3.844   1.566
  285    HA3  GLY   1           HA2      GLY   1 -25.368   5.422   1.621
  286    H    SER   2           HN       SER   2 -23.834   3.349   0.902
  287    HA   SER   2           HA       SER   2 -22.140   2.930   3.273
  288    HB2  SER   2           HB2      SER   2 -21.539   0.693   2.102
  289    HB3  SER   2           HB1      SER   2 -23.070   0.796   2.976
  290    HG   SER   2           HG       SER   2 -22.736   1.165   0.174
  291    H    MET   3           HN       MET   3 -22.379   4.154   0.179
  292    HA   MET   3           HA       MET   3 -20.089   3.222  -1.110
  293    HB2  MET   3           HB2      MET   3 -21.554   5.838  -1.452
  294    HB3  MET   3           HB1      MET   3 -20.301   5.257  -2.539
  295    HG2  MET   3           HG2      MET   3 -22.924   3.895  -1.978
  296    HG3  MET   3           HG1      MET   3 -22.525   4.825  -3.420
  297    HE1  MET   3           HE1      MET   3 -19.805   2.602  -5.127
  298    HE2  MET   3           HE2      MET   3 -19.507   3.923  -3.998
  299    HE3  MET   3           HE3      MET   3 -20.763   4.079  -5.226
  300    H    LYS   4           HN       LYS   4 -20.499   6.303   0.661
  301    HA   LYS   4           HA       LYS   4 -17.805   7.059   0.141
  302    HB2  LYS   4           HB2      LYS   4 -18.235   8.936   1.718
  303    HB3  LYS   4           HB1      LYS   4 -19.401   8.810   0.412
  304    HG2  LYS   4           HG2      LYS   4 -21.054   7.912   1.875
  305    HG3  LYS   4           HG1      LYS   4 -19.881   7.737   3.180
  306    HD2  LYS   4           HD2      LYS   4 -21.322   9.688   3.518
  307    HD3  LYS   4           HD1      LYS   4 -19.637  10.159   3.299
  308    HE2  LYS   4           HE2      LYS   4 -21.108  11.647   2.064
  309    HE3  LYS   4           HE1      LYS   4 -20.104  10.715   0.957
  310    HZ1  LYS   4           HZ1      LYS   4 -21.963   9.260   0.522
  311    HZ2  LYS   4           HZ2      LYS   4 -22.415  10.859   0.227
  312    HZ3  LYS   4           HZ3      LYS   4 -22.925  10.088   1.639
  313    H    GLN   5           HN       GLN   5 -19.175   5.081   2.576
  314    HA   GLN   5           HA       GLN   5 -17.047   5.588   4.486
  315    HB2  GLN   5           HB2      GLN   5 -19.234   3.506   4.641
  316    HB3  GLN   5           HB1      GLN   5 -18.157   3.994   5.940
  317    HG2  GLN   5           HG2      GLN   5 -19.850   5.297   6.566
  318    HG3  GLN   5           HG1      GLN   5 -19.302   6.362   5.270
  319   HE21  GLN   5          HE21      GLN   5 -21.640   4.001   6.245
  320   HE22  GLN   5          HE22      GLN   5 -22.773   4.290   4.964
  321    H    LEU   6           HN       LEU   6 -18.211   3.067   2.327
  322    HA   LEU   6           HA       LEU   6 -16.103   1.249   2.785
  323    HB2  LEU   6           HB2      LEU   6 -18.093   1.704   0.618
  324    HB3  LEU   6           HB1      LEU   6 -16.702   0.714   0.249
  325    HG   LEU   6           HG       LEU   6 -18.765  -0.552   0.905
  326   HD11  LEU   6          HD11      LEU   6 -16.498  -1.519   1.061
  327   HD12  LEU   6          HD12      LEU   6 -17.607  -2.164   2.270
  328   HD13  LEU   6          HD13      LEU   6 -16.399  -0.970   2.734
  329   HD21  LEU   6          HD21      LEU   6 -19.552   0.976   2.656
  330   HD22  LEU   6          HD22      LEU   6 -18.158   0.551   3.649
  331   HD23  LEU   6          HD23      LEU   6 -19.366  -0.671   3.257
  332    H    GLU   7           HN       GLU   7 -16.581   3.820   0.381
  333    HA   GLU   7           HA       GLU   7 -14.064   3.676  -0.831
  334    HB2  GLU   7           HB2      GLU   7 -15.900   6.031  -0.409
  335    HB3  GLU   7           HB1      GLU   7 -14.430   6.111  -1.371
  336    HG2  GLU   7           HG2      GLU   7 -15.321   4.367  -2.847
  337    HG3  GLU   7           HG1      GLU   7 -16.809   4.347  -1.900
  338    H    ASP   8           HN       ASP   8 -15.112   5.256   2.167
  339    HA   ASP   8           HA       ASP   8 -12.771   6.696   2.717
  340    HB2  ASP   8           HB2      ASP   8 -14.850   5.435   4.446
  341    HB3  ASP   8           HB1      ASP   8 -13.360   5.981   5.204
  342    H    LYS   9           HN       LYS   9 -13.480   3.281   3.179
  343    HA   LYS   9           HA       LYS   9 -11.027   2.691   4.525
  344    HB2  LYS   9           HB2      LYS   9 -12.949   0.842   3.101
  345    HB3  LYS   9           HB1      LYS   9 -11.659   0.339   4.183
  346    HG2  LYS   9           HG2      LYS   9 -14.008   2.051   4.970
  347    HG3  LYS   9           HG1      LYS   9 -13.876   0.316   5.243
  348    HD2  LYS   9           HD2      LYS   9 -11.925   2.345   6.321
  349    HD3  LYS   9           HD1      LYS   9 -13.308   1.731   7.225
  350    HE2  LYS   9           HE2      LYS   9 -11.071   0.042   6.108
  351    HE3  LYS   9           HE1      LYS   9 -11.202   0.569   7.784
  352    HZ1  LYS   9           HZ1      LYS   9 -13.149  -1.162   6.357
  353    HZ2  LYS   9           HZ2      LYS   9 -13.279  -0.657   7.964
  354    HZ3  LYS   9           HZ3      LYS   9 -12.016  -1.680   7.500
  355    H    VAL  10           HN       VAL  10 -12.193   2.410   1.204
  356    HA   VAL  10           HA       VAL  10 -10.049   1.022   0.090
  357    HB   VAL  10           HB       VAL  10 -11.513   3.225  -1.357
  358   HG11  VAL  10          HG11      VAL  10 -10.286   0.641  -2.293
  359   HG12  VAL  10          HG12      VAL  10  -9.635   2.262  -2.546
  360   HG13  VAL  10          HG13      VAL  10 -11.151   1.790  -3.312
  361   HG21  VAL  10          HG21      VAL  10 -13.262   1.720  -1.945
  362   HG22  VAL  10          HG22      VAL  10 -13.116   1.704  -0.186
  363   HG23  VAL  10          HG23      VAL  10 -12.451   0.379  -1.142
  364    H    GLU  11           HN       GLU  11 -10.588   4.549   0.103
  365    HA   GLU  11           HA       GLU  11  -8.032   5.102  -1.032
  366    HB2  GLU  11           HB2      GLU  11  -8.577   7.452  -0.646
  367    HB3  GLU  11           HB1      GLU  11  -9.952   6.603  -1.339
  368    HG2  GLU  11           HG2      GLU  11 -10.983   6.462   0.864
  369    HG3  GLU  11           HG1      GLU  11  -9.601   7.303   1.566
  370    H    GLU  12           HN       GLU  12  -9.055   4.459   2.176
  371    HA   GLU  12           HA       GLU  12  -7.030   5.888   3.570
  372    HB2  GLU  12           HB2      GLU  12  -9.216   4.479   4.361
  373    HB3  GLU  12           HB1      GLU  12  -7.951   3.305   4.695
  374    HG2  GLU  12           HG2      GLU  12  -8.156   6.098   5.800
  375    HG3  GLU  12           HG1      GLU  12  -8.432   4.594   6.671
  376    H    LEU  13           HN       LEU  13  -7.329   2.596   2.326
  377    HA   LEU  13           HA       LEU  13  -4.643   1.854   2.947
  378    HB2  LEU  13           HB2      LEU  13  -6.538   0.674   0.916
  379    HB3  LEU  13           HB1      LEU  13  -5.084  -0.086   1.536
  380    HG   LEU  13           HG       LEU  13  -7.552   0.568   3.147
  381   HD11  LEU  13          HD11      LEU  13  -6.442  -2.054   2.178
  382   HD12  LEU  13          HD12      LEU  13  -7.909  -1.262   1.603
  383   HD13  LEU  13          HD13      LEU  13  -7.820  -1.858   3.260
  384   HD21  LEU  13          HD21      LEU  13  -5.541   0.734   4.504
  385   HD22  LEU  13          HD22      LEU  13  -5.005  -0.846   3.934
  386   HD23  LEU  13          HD23      LEU  13  -6.454  -0.712   4.931
  387    H    LEU  14           HN       LEU  14  -6.257   3.375   0.261
  388    HA   LEU  14           HA       LEU  14  -4.216   3.253  -1.662
  389    HB2  LEU  14           HB2      LEU  14  -6.650   4.053  -1.885
  390    HB3  LEU  14           HB1      LEU  14  -6.069   5.589  -1.277
  391    HG   LEU  14           HG       LEU  14  -4.483   5.702  -3.195
  392   HD11  LEU  14          HD11      LEU  14  -4.368   3.292  -3.638
  393   HD12  LEU  14          HD12      LEU  14  -4.816   4.211  -5.078
  394   HD13  LEU  14          HD13      LEU  14  -6.049   3.328  -4.178
  395   HD21  LEU  14          HD21      LEU  14  -6.633   6.867  -3.248
  396   HD22  LEU  14          HD22      LEU  14  -7.398   5.428  -3.918
  397   HD23  LEU  14          HD23      LEU  14  -6.176   6.292  -4.850
  398    H    SER  15           HN       SER  15  -4.814   5.385   1.024
  399    HA   SER  15           HA       SER  15  -2.811   7.294   0.506
  400    HB2  SER  15           HB2      SER  15  -4.720   7.609   2.109
  401    HB3  SER  15           HB1      SER  15  -3.936   6.468   3.200
  402    HG   SER  15           HG       SER  15  -2.894   8.142   3.920
  403    H    LYS  16           HN       LYS  16  -2.894   4.216   2.252
  404    HA   LYS  16           HA       LYS  16  -0.176   4.368   3.044
  405    HB2  LYS  16           HB2      LYS  16  -1.886   1.900   2.685
  406    HB3  LYS  16           HB1      LYS  16  -0.285   1.936   3.409
  407    HG2  LYS  16           HG2      LYS  16  -1.309   3.635   5.050
  408    HG3  LYS  16           HG1      LYS  16  -2.860   3.031   4.464
  409    HD2  LYS  16           HD2      LYS  16  -0.666   1.451   5.796
  410    HD3  LYS  16           HD1      LYS  16  -2.267   1.808   6.440
  411    HE2  LYS  16           HE2      LYS  16  -3.243   0.498   4.560
  412    HE3  LYS  16           HE1      LYS  16  -1.601   0.057   4.074
  413    HZ1  LYS  16           HZ1      LYS  16  -2.658  -1.654   5.434
  414    HZ2  LYS  16           HZ2      LYS  16  -2.817  -0.557   6.712
  415    HZ3  LYS  16           HZ3      LYS  16  -1.281  -1.024   6.183
  416    H    ASN  17           HN       ASN  17  -1.817   2.976   0.182
  417    HA   ASN  17           HA       ASN  17   0.454   1.893  -1.082
  418    HB2  ASN  17           HB2      ASN  17  -1.844   3.415  -2.387
  419    HB3  ASN  17           HB1      ASN  17  -0.713   2.364  -3.222
  420   HD21  ASN  17          HD21      ASN  17  -0.689   0.299  -1.233
  421   HD22  ASN  17          HD22      ASN  17  -2.236  -0.472  -1.301
  422    H    TYR  18           HN       TYR  18  -0.780   5.215  -0.865
  423    HA   TYR  18           HA       TYR  18   1.154   6.378  -2.581
  424    HB2  TYR  18           HB2      TYR  18  -0.886   7.560  -1.925
  425    HB3  TYR  18           HB1      TYR  18  -0.346   7.596  -0.251
  426    HD1  TYR  18           HD1      TYR  18   0.980   9.364   0.531
  427    HD2  TYR  18           HD2      TYR  18   0.512   8.806  -3.657
  428    HE1  TYR  18           HE1      TYR  18   2.101  11.511   0.126
  429    HE2  TYR  18           HE2      TYR  18   1.633  10.952  -4.074
  430    HH   TYR  18           HH       TYR  18   3.353  12.621  -1.664
  431    H    HIS  19           HN       HIS  19   1.042   6.397   0.993
  432    HA   HIS  19           HA       HIS  19   3.614   7.556   1.258
  433    HB2  HIS  19           HB2      HIS  19   1.821   6.135   3.221
  434    HB3  HIS  19           HB1      HIS  19   3.375   6.816   3.683
  435    HD1  HIS  19           HD1      HIS  19   3.381   9.218   4.335
  436    HD2  HIS  19           HD2      HIS  19  -0.050   8.168   2.236
  437    HE1  HIS  19           HE1      HIS  19   1.884  11.238   4.430
  438    HE2  HIS  19           HE2      HIS  19  -0.238  10.531   3.269
  439    H    LEU  20           HN       LEU  20   2.512   4.209   1.340
  440    HA   LEU  20           HA       LEU  20   4.891   3.123   2.376
  441    HB2  LEU  20           HB2      LEU  20   2.686   2.077   2.620
  442    HB3  LEU  20           HB1      LEU  20   2.571   1.873   0.885
  443    HG   LEU  20           HG       LEU  20   4.319   0.321   0.888
  444   HD11  LEU  20          HD11      LEU  20   5.631   1.313   2.729
  445   HD12  LEU  20          HD12      LEU  20   5.428  -0.425   2.892
  446   HD13  LEU  20          HD13      LEU  20   4.454   0.665   3.869
  447   HD21  LEU  20          HD21      LEU  20   3.312  -1.491   2.123
  448   HD22  LEU  20          HD22      LEU  20   2.076  -0.506   1.333
  449   HD23  LEU  20          HD23      LEU  20   2.369  -0.336   3.063
  450    H    GLU  21           HN       GLU  21   3.660   3.710  -0.882
  451    HA   GLU  21           HA       GLU  21   5.856   2.421  -2.169
  452    HB2  GLU  21           HB2      GLU  21   3.555   2.879  -3.212
  453    HB3  GLU  21           HB1      GLU  21   4.114   4.536  -3.415
  454    HG2  GLU  21           HG2      GLU  21   5.992   3.730  -4.767
  455    HG3  GLU  21           HG1      GLU  21   5.400   2.080  -4.580
  456    H    ASN  22           HN       ASN  22   5.144   5.670  -1.066
  457    HA   ASN  22           HA       ASN  22   7.384   6.962  -2.169
  458    HB2  ASN  22           HB2      ASN  22   5.903   7.466   0.419
  459    HB3  ASN  22           HB1      ASN  22   7.195   8.504  -0.169
  460   HD21  ASN  22          HD21      ASN  22   6.413   8.206  -2.967
  461   HD22  ASN  22          HD22      ASN  22   4.981   9.154  -3.158
  462    H    GLU  23           HN       GLU  23   6.976   4.886   0.621
  463    HA   GLU  23           HA       GLU  23   9.606   5.229   1.661
  464    HB2  GLU  23           HB2      GLU  23   7.768   2.838   1.927
  465    HB3  GLU  23           HB1      GLU  23   9.179   3.170   2.920
  466    HG2  GLU  23           HG2      GLU  23   6.653   4.800   2.801
  467    HG3  GLU  23           HG1      GLU  23   7.153   3.726   4.105
  468    H    VAL  24           HN       VAL  24   8.123   2.749  -0.419
  469    HA   VAL  24           HA       VAL  24  10.355   1.154  -0.824
  470    HB   VAL  24           HB       VAL  24   8.091   1.724  -2.772
  471   HG11  VAL  24          HG11      VAL  24  10.120  -0.518  -2.784
  472   HG12  VAL  24          HG12      VAL  24  10.087   0.832  -3.921
  473   HG13  VAL  24          HG13      VAL  24   8.764  -0.334  -3.901
  474   HG21  VAL  24          HG21      VAL  24   7.319   0.747  -0.724
  475   HG22  VAL  24          HG22      VAL  24   8.575  -0.490  -0.798
  476   HG23  VAL  24          HG23      VAL  24   7.287  -0.468  -2.000
  477    H    ALA  25           HN       ALA  25   9.229   3.911  -2.774
  478    HA   ALA  25           HA       ALA  25  11.149   3.758  -4.793
  479    HB1  ALA  25           HB1      ALA  25   9.110   5.130  -4.920
  480    HB2  ALA  25           HB2      ALA  25  10.556   6.060  -5.314
  481    HB3  ALA  25           HB3      ALA  25   9.798   6.239  -3.734
  482    H    ARG  26           HN       ARG  26  11.235   5.477  -1.707
  483    HA   ARG  26           HA       ARG  26  13.691   6.803  -2.151
  484    HB2  ARG  26           HB2      ARG  26  12.035   7.458  -0.415
  485    HB3  ARG  26           HB1      ARG  26  12.429   5.997   0.477
  486    HG2  ARG  26           HG2      ARG  26  13.644   7.647   1.557
  487    HG3  ARG  26           HG1      ARG  26  14.832   6.891   0.498
  488    HD2  ARG  26           HD2      ARG  26  13.315   9.421  -0.140
  489    HD3  ARG  26           HD1      ARG  26  14.945   9.371   0.519
  490    HE   ARG  26           HE       ARG  26  14.187   8.367  -2.150
  491   HH11  ARG  26          HH11      ARG  26  16.513   9.779   0.049
  492   HH12  ARG  26          HH12      ARG  26  17.727   9.992  -1.166
  493   HH21  ARG  26          HH21      ARG  26  15.784   8.650  -3.761
  494   HH22  ARG  26          HH22      ARG  26  17.315   9.350  -3.337
  495    H    LEU  27           HN       LEU  27  12.868   3.853  -0.364
  496    HA   LEU  27           HA       LEU  27  15.461   3.170   0.441
  497    HB2  LEU  27           HB2      LEU  27  12.950   1.587  -0.004
  498    HB3  LEU  27           HB1      LEU  27  14.443   0.782   0.387
  499    HG   LEU  27           HG       LEU  27  14.494   1.589   2.562
  500   HD11  LEU  27          HD11      LEU  27  14.173   3.967   2.061
  501   HD12  LEU  27          HD12      LEU  27  13.166   3.440   3.410
  502   HD13  LEU  27          HD13      LEU  27  12.450   3.677   1.816
  503   HD21  LEU  27          HD21      LEU  27  12.731  -0.020   2.300
  504   HD22  LEU  27          HD22      LEU  27  11.598   1.244   1.822
  505   HD23  LEU  27          HD23      LEU  27  12.231   1.206   3.466
  506    H    LYS  28           HN       LYS  28  13.650   2.347  -2.482
  507    HA   LYS  28           HA       LYS  28  15.426   0.389  -3.443
  508    HB2  LYS  28           HB2      LYS  28  13.005   0.889  -4.151
  509    HB3  LYS  28           HB1      LYS  28  13.700   2.108  -5.210
  510    HG2  LYS  28           HG2      LYS  28  13.244  -0.019  -6.357
  511    HG3  LYS  28           HG1      LYS  28  14.952   0.427  -6.399
  512    HD2  LYS  28           HD2      LYS  28  15.522  -1.179  -4.779
  513    HD3  LYS  28           HD1      LYS  28  13.843  -1.404  -4.294
  514    HE2  LYS  28           HE2      LYS  28  14.668  -3.286  -5.608
  515    HE3  LYS  28           HE1      LYS  28  13.346  -2.454  -6.421
  516    HZ1  LYS  28           HZ1      LYS  28  16.234  -2.164  -7.038
  517    HZ2  LYS  28           HZ2      LYS  28  14.993  -1.302  -7.791
  518    HZ3  LYS  28           HZ3      LYS  28  15.088  -2.977  -7.977
  519    H    LYS  29           HN       LYS  29  15.501   3.860  -3.603
  520    HA   LYS  29           HA       LYS  29  17.465   4.029  -5.674
  521    HB2  LYS  29           HB2      LYS  29  16.065   5.946  -5.168
  522    HB3  LYS  29           HB1      LYS  29  16.662   5.990  -3.515
  523    HG2  LYS  29           HG2      LYS  29  17.688   7.730  -4.851
  524    HG3  LYS  29           HG1      LYS  29  18.896   6.549  -4.332
  525    HD2  LYS  29           HD2      LYS  29  18.714   5.454  -6.545
  526    HD3  LYS  29           HD1      LYS  29  17.596   6.730  -7.051
  527    HE2  LYS  29           HE2      LYS  29  19.333   8.401  -6.690
  528    HE3  LYS  29           HE1      LYS  29  20.443   7.146  -6.140
  529    HZ1  LYS  29           HZ1      LYS  29  20.900   7.681  -8.414
  530    HZ2  LYS  29           HZ2      LYS  29  19.292   7.415  -8.861
  531    HZ3  LYS  29           HZ3      LYS  29  20.252   6.121  -8.352
  532    H    LEU  30           HN       LEU  30  17.546   3.851  -2.170
  533    HA   LEU  30           HA       LEU  30  20.373   4.241  -1.966
  534    HB2  LEU  30           HB2      LEU  30  18.229   3.428  -0.035
  535    HB3  LEU  30           HB1      LEU  30  19.918   3.289   0.410
  536    HG   LEU  30           HG       LEU  30  20.184   5.728  -0.023
  537   HD11  LEU  30          HD11      LEU  30  18.196   7.130  -0.181
  538   HD12  LEU  30          HD12      LEU  30  17.187   5.689  -0.294
  539   HD13  LEU  30          HD13      LEU  30  18.345   6.057  -1.572
  540   HD21  LEU  30          HD21      LEU  30  18.086   4.974   2.001
  541   HD22  LEU  30          HD22      LEU  30  19.043   6.455   2.011
  542   HD23  LEU  30          HD23      LEU  30  19.833   4.895   2.232
  543    H    VAL  31           HN       VAL  31  18.211   1.464  -2.092
  544    HA   VAL  31           HA       VAL  31  20.292  -0.491  -1.843
  545    HB   VAL  31           HB       VAL  31  17.585  -0.760  -3.184
  546   HG11  VAL  31          HG11      VAL  31  19.144  -2.518  -3.840
  547   HG12  VAL  31          HG12      VAL  31  17.859  -3.158  -2.817
  548   HG13  VAL  31          HG13      VAL  31  19.464  -2.876  -2.144
  549   HG21  VAL  31          HG21      VAL  31  18.412  -1.393  -0.355
  550   HG22  VAL  31          HG22      VAL  31  16.844  -1.763  -1.072
  551   HG23  VAL  31          HG23      VAL  31  17.343  -0.084  -0.861
  552    H    GLY  32           HN       GLY  32  19.060   1.548  -4.296
  553    HA2  GLY  32           HA2      GLY  32  19.942   0.219  -6.612
  554    HA3  GLY  32           HA1      GLY  32  19.636   1.944  -6.452
  555    H    GLU  33           HN       GLU  33  21.461   2.838  -4.742
  556    HA   GLU  33           HA       GLU  33  24.039   2.020  -5.907
  557    HB2  GLU  33           HB2      GLU  33  23.230   4.200  -6.800
  558    HB3  GLU  33           HB1      GLU  33  23.211   4.833  -5.161
  559    HG2  GLU  33           HG2      GLU  33  25.632   4.439  -5.005
  560    HG3  GLU  33           HG1      GLU  33  25.629   3.875  -6.674
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -24.172  -6.790  -1.528
    2    H2   GLY   1           HT2      GLY   1 -25.355  -7.478  -2.521
    3    H3   GLY   1           HT3      GLY   1 -25.199  -5.799  -2.434
    4    HA2  GLY   1           HA1      GLY   1 -23.225  -7.694  -3.572
    5    HA3  GLY   1           HA2      GLY   1 -24.248  -6.593  -4.483
    6    H    SER   2           HN       SER   2 -24.034  -4.308  -2.902
    7    HA   SER   2           HA       SER   2 -21.782  -3.104  -3.964
    8    HB2  SER   2           HB2      SER   2 -22.281  -1.306  -2.189
    9    HB3  SER   2           HB1      SER   2 -23.559  -1.691  -3.344
   10    HG   SER   2           HG       SER   2 -24.478  -1.684  -1.326
   11    H    MET   3           HN       MET   3 -22.253  -4.489  -0.742
   12    HA   MET   3           HA       MET   3 -19.927  -3.556   0.462
   13    HB2  MET   3           HB2      MET   3 -21.584  -6.019   0.917
   14    HB3  MET   3           HB1      MET   3 -20.139  -5.706   1.868
   15    HG2  MET   3           HG2      MET   3 -22.498  -3.852   1.648
   16    HG3  MET   3           HG1      MET   3 -22.202  -4.973   2.978
   17    HE1  MET   3           HE1      MET   3 -21.476  -1.442   4.551
   18    HE2  MET   3           HE2      MET   3 -22.450  -2.908   4.655
   19    HE3  MET   3           HE3      MET   3 -22.675  -1.795   3.308
   20    H    LYS   4           HN       LYS   4 -20.429  -6.561  -1.378
   21    HA   LYS   4           HA       LYS   4 -17.750  -7.456  -0.947
   22    HB2  LYS   4           HB2      LYS   4 -19.963  -8.386  -2.756
   23    HB3  LYS   4           HB1      LYS   4 -18.371  -9.130  -2.765
   24    HG2  LYS   4           HG2      LYS   4 -20.145  -8.916  -0.344
   25    HG3  LYS   4           HG1      LYS   4 -20.025 -10.335  -1.384
   26    HD2  LYS   4           HD2      LYS   4 -17.755  -9.105   0.181
   27    HD3  LYS   4           HD1      LYS   4 -18.645 -10.559   0.630
   28    HE2  LYS   4           HE2      LYS   4 -16.956 -10.190  -1.844
   29    HE3  LYS   4           HE1      LYS   4 -16.535 -11.145  -0.425
   30    HZ1  LYS   4           HZ1      LYS   4 -18.792 -11.676  -2.282
   31    HZ2  LYS   4           HZ2      LYS   4 -18.454 -12.567  -0.886
   32    HZ3  LYS   4           HZ3      LYS   4 -17.355 -12.563  -2.170
   33    H    GLN   5           HN       GLN   5 -19.047  -5.183  -3.051
   34    HA   GLN   5           HA       GLN   5 -17.047  -5.659  -5.123
   35    HB2  GLN   5           HB2      GLN   5 -19.413  -3.779  -5.022
   36    HB3  GLN   5           HB1      GLN   5 -18.265  -3.847  -6.353
   37    HG2  GLN   5           HG2      GLN   5 -18.889  -6.153  -6.796
   38    HG3  GLN   5           HG1      GLN   5 -20.006  -6.123  -5.434
   39   HE21  GLN   5          HE21      GLN   5 -19.559  -3.403  -7.568
   40   HE22  GLN   5          HE22      GLN   5 -21.115  -3.489  -8.317
   41    H    LEU   6           HN       LEU   6 -18.214  -3.193  -2.897
   42    HA   LEU   6           HA       LEU   6 -16.114  -1.354  -3.398
   43    HB2  LEU   6           HB2      LEU   6 -18.182  -1.693  -1.269
   44    HB3  LEU   6           HB1      LEU   6 -16.841  -0.611  -0.976
   45    HG   LEU   6           HG       LEU   6 -18.902   0.527  -1.773
   46   HD11  LEU   6          HD11      LEU   6 -17.816   2.012  -3.284
   47   HD12  LEU   6          HD12      LEU   6 -16.635   0.790  -3.738
   48   HD13  LEU   6          HD13      LEU   6 -16.618   1.467  -2.110
   49   HD21  LEU   6          HD21      LEU   6 -19.528   0.355  -4.128
   50   HD22  LEU   6          HD22      LEU   6 -19.728  -1.185  -3.292
   51   HD23  LEU   6          HD23      LEU   6 -18.342  -0.930  -4.353
   52    H    GLU   7           HN       GLU   7 -16.669  -3.824  -0.897
   53    HA   GLU   7           HA       GLU   7 -14.207  -3.411   0.426
   54    HB2  GLU   7           HB2      GLU   7 -16.158  -4.633   1.389
   55    HB3  GLU   7           HB1      GLU   7 -15.800  -5.975   0.312
   56    HG2  GLU   7           HG2      GLU   7 -13.662  -6.309   1.379
   57    HG3  GLU   7           HG1      GLU   7 -13.922  -4.896   2.400
   58    H    ASP   8           HN       ASP   8 -15.089  -5.341  -2.419
   59    HA   ASP   8           HA       ASP   8 -12.644  -6.743  -2.620
   60    HB2  ASP   8           HB2      ASP   8 -14.878  -6.165  -4.410
   61    HB3  ASP   8           HB1      ASP   8 -13.333  -6.263  -5.250
   62    H    LYS   9           HN       LYS   9 -13.491  -3.451  -3.375
   63    HA   LYS   9           HA       LYS   9 -11.080  -2.858  -4.804
   64    HB2  LYS   9           HB2      LYS   9 -12.942  -0.951  -3.373
   65    HB3  LYS   9           HB1      LYS   9 -11.758  -0.531  -4.604
   66    HG2  LYS   9           HG2      LYS   9 -13.004  -1.763  -6.267
   67    HG3  LYS   9           HG1      LYS   9 -14.161  -2.290  -5.043
   68    HD2  LYS   9           HD2      LYS   9 -14.723   0.095  -4.632
   69    HD3  LYS   9           HD1      LYS   9 -13.663   0.535  -5.972
   70    HE2  LYS   9           HE2      LYS   9 -16.112  -1.216  -6.135
   71    HE3  LYS   9           HE1      LYS   9 -15.983   0.449  -6.701
   72    HZ1  LYS   9           HZ1      LYS   9 -15.746  -1.129  -8.512
   73    HZ2  LYS   9           HZ2      LYS   9 -14.425  -1.851  -7.746
   74    HZ3  LYS   9           HZ3      LYS   9 -14.314  -0.258  -8.294
   75    H    VAL  10           HN       VAL  10 -12.220  -2.459  -1.490
   76    HA   VAL  10           HA       VAL  10 -10.034  -1.048  -0.453
   77    HB   VAL  10           HB       VAL  10 -11.576  -3.092   1.132
   78   HG11  VAL  10          HG11      VAL  10  -9.706  -2.070   2.271
   79   HG12  VAL  10          HG12      VAL  10 -11.223  -1.500   2.967
   80   HG13  VAL  10          HG13      VAL  10 -10.312  -0.462   1.867
   81   HG21  VAL  10          HG21      VAL  10 -13.140  -1.659  -0.186
   82   HG22  VAL  10          HG22      VAL  10 -12.471  -0.263   0.659
   83   HG23  VAL  10          HG23      VAL  10 -13.311  -1.521   1.563
   84    H    GLU  11           HN       GLU  11 -10.715  -4.545  -0.335
   85    HA   GLU  11           HA       GLU  11  -8.237  -5.179   0.915
   86    HB2  GLU  11           HB2      GLU  11 -10.289  -6.572   1.092
   87    HB3  GLU  11           HB1      GLU  11 -10.119  -7.008  -0.601
   88    HG2  GLU  11           HG2      GLU  11  -7.999  -8.093  -0.131
   89    HG3  GLU  11           HG1      GLU  11  -8.117  -7.619   1.561
   90    H    GLU  12           HN       GLU  12  -9.130  -4.627  -2.374
   91    HA   GLU  12           HA       GLU  12  -7.026  -6.057  -3.630
   92    HB2  GLU  12           HB2      GLU  12  -8.974  -5.182  -4.878
   93    HB3  GLU  12           HB1      GLU  12  -8.439  -3.540  -4.548
   94    HG2  GLU  12           HG2      GLU  12  -6.385  -3.967  -5.815
   95    HG3  GLU  12           HG1      GLU  12  -6.958  -5.595  -6.176
   96    H    LEU  13           HN       LEU  13  -7.381  -2.703  -2.530
   97    HA   LEU  13           HA       LEU  13  -4.686  -1.990  -3.073
   98    HB2  LEU  13           HB2      LEU  13  -6.709  -0.762  -1.206
   99    HB3  LEU  13           HB1      LEU  13  -5.151  -0.051  -1.585
  100    HG   LEU  13           HG       LEU  13  -7.412  -0.529  -3.529
  101   HD11  LEU  13          HD11      LEU  13  -6.217   2.016  -2.455
  102   HD12  LEU  13          HD12      LEU  13  -7.774   1.334  -1.989
  103   HD13  LEU  13          HD13      LEU  13  -7.514   1.892  -3.642
  104   HD21  LEU  13          HD21      LEU  13  -4.675   0.660  -3.968
  105   HD22  LEU  13          HD22      LEU  13  -5.996   0.683  -5.136
  106   HD23  LEU  13          HD23      LEU  13  -5.283  -0.852  -4.643
  107    H    LEU  14           HN       LEU  14  -6.318  -3.543  -0.454
  108    HA   LEU  14           HA       LEU  14  -4.295  -3.381   1.514
  109    HB2  LEU  14           HB2      LEU  14  -6.727  -4.152   1.750
  110    HB3  LEU  14           HB1      LEU  14  -6.185  -5.688   1.112
  111    HG   LEU  14           HG       LEU  14  -4.557  -5.818   3.027
  112   HD11  LEU  14          HD11      LEU  14  -4.993  -4.430   4.974
  113   HD12  LEU  14          HD12      LEU  14  -6.225  -3.542   4.077
  114   HD13  LEU  14          HD13      LEU  14  -4.530  -3.437   3.590
  115   HD21  LEU  14          HD21      LEU  14  -7.498  -5.706   3.684
  116   HD22  LEU  14          HD22      LEU  14  -6.261  -6.523   4.639
  117   HD23  LEU  14          HD23      LEU  14  -6.631  -7.087   3.011
  118    H    SER  15           HN       SER  15  -4.850  -5.450  -1.222
  119    HA   SER  15           HA       SER  15  -2.982  -7.476  -0.537
  120    HB2  SER  15           HB2      SER  15  -4.911  -7.866  -2.046
  121    HB3  SER  15           HB1      SER  15  -4.178  -6.796  -3.238
  122    HG   SER  15           HG       SER  15  -2.767  -8.297  -3.748
  123    H    LYS  16           HN       LYS  16  -2.893  -4.638  -2.694
  124    HA   LYS  16           HA       LYS  16  -0.160  -5.120  -3.358
  125    HB2  LYS  16           HB2      LYS  16  -0.101  -2.842  -4.267
  126    HB3  LYS  16           HB1      LYS  16  -1.412  -3.811  -4.922
  127    HG2  LYS  16           HG2      LYS  16  -3.005  -2.650  -3.521
  128    HG3  LYS  16           HG1      LYS  16  -1.703  -1.731  -2.762
  129    HD2  LYS  16           HD2      LYS  16  -2.250  -1.668  -5.722
  130    HD3  LYS  16           HD1      LYS  16  -2.984  -0.538  -4.583
  131    HE2  LYS  16           HE2      LYS  16  -0.832   0.293  -3.928
  132    HE3  LYS  16           HE1      LYS  16  -0.012  -0.943  -4.882
  133    HZ1  LYS  16           HZ1      LYS  16  -0.028   1.206  -5.987
  134    HZ2  LYS  16           HZ2      LYS  16  -1.720   1.223  -5.981
  135    HZ3  LYS  16           HZ3      LYS  16  -0.889   0.060  -6.883
  136    H    ASN  17           HN       ASN  17  -1.774  -3.093  -0.922
  137    HA   ASN  17           HA       ASN  17   0.481  -1.920   0.264
  138    HB2  ASN  17           HB2      ASN  17  -2.215  -2.774   1.186
  139    HB3  ASN  17           HB1      ASN  17  -1.004  -2.615   2.450
  140   HD21  ASN  17          HD21      ASN  17  -3.461  -1.071   1.573
  141   HD22  ASN  17          HD22      ASN  17  -2.923   0.572   1.528
  142    H    TYR  18           HN       TYR  18  -0.848  -5.192   0.572
  143    HA   TYR  18           HA       TYR  18   0.949  -6.154   2.508
  144    HB2  TYR  18           HB2      TYR  18  -1.033  -7.408   1.892
  145    HB3  TYR  18           HB1      TYR  18  -0.453  -7.585   0.241
  146    HD1  TYR  18           HD1      TYR  18   0.950  -9.381  -0.361
  147    HD2  TYR  18           HD2      TYR  18   0.208  -8.579   3.750
  148    HE1  TYR  18           HE1      TYR  18   2.014 -11.512   0.238
  149    HE2  TYR  18           HE2      TYR  18   1.273 -10.708   4.361
  150    HH   TYR  18           HH       TYR  18   1.755 -12.896   3.317
  151    H    HIS  19           HN       HIS  19   1.126  -6.336  -1.044
  152    HA   HIS  19           HA       HIS  19   3.693  -7.590  -1.023
  153    HB2  HIS  19           HB2      HIS  19   2.043  -6.361  -3.226
  154    HB3  HIS  19           HB1      HIS  19   3.614  -7.100  -3.511
  155    HD1  HIS  19           HD1      HIS  19   0.124  -7.896  -3.513
  156    HD2  HIS  19           HD2      HIS  19   3.609  -9.937  -2.536
  157    HE1  HIS  19           HE1      HIS  19  -0.481 -10.334  -3.575
  158    HE2  HIS  19           HE2      HIS  19   1.672 -11.551  -3.097
  159    H    LEU  20           HN       LEU  20   2.573  -4.284  -1.376
  160    HA   LEU  20           HA       LEU  20   5.009  -3.180  -2.217
  161    HB2  LEU  20           HB2      LEU  20   2.845  -2.105  -2.577
  162    HB3  LEU  20           HB1      LEU  20   2.594  -1.966  -0.850
  163    HG   LEU  20           HG       LEU  20   4.325  -0.428  -0.649
  164   HD11  LEU  20          HD11      LEU  20   5.811  -1.381  -2.374
  165   HD12  LEU  20          HD12      LEU  20   5.658   0.367  -2.473
  166   HD13  LEU  20          HD13      LEU  20   4.778  -0.655  -3.603
  167   HD21  LEU  20          HD21      LEU  20   3.505   1.432  -2.032
  168   HD22  LEU  20          HD22      LEU  20   2.210   0.527  -1.238
  169   HD23  LEU  20          HD23      LEU  20   2.542   0.271  -2.951
  170    H    GLU  21           HN       GLU  21   3.581  -3.842   0.937
  171    HA   GLU  21           HA       GLU  21   5.649  -2.643   2.461
  172    HB2  GLU  21           HB2      GLU  21   3.231  -3.576   3.122
  173    HB3  GLU  21           HB1      GLU  21   4.177  -4.996   3.535
  174    HG2  GLU  21           HG2      GLU  21   4.591  -2.220   4.625
  175    HG3  GLU  21           HG1      GLU  21   3.812  -3.556   5.465
  176    H    ASN  22           HN       ASN  22   5.116  -5.849   1.097
  177    HA   ASN  22           HA       ASN  22   7.354  -7.157   2.139
  178    HB2  ASN  22           HB2      ASN  22   6.050  -7.426  -0.580
  179    HB3  ASN  22           HB1      ASN  22   7.314  -8.502  -0.000
  180   HD21  ASN  22          HD21      ASN  22   6.365  -8.555   2.729
  181   HD22  ASN  22          HD22      ASN  22   4.924  -9.506   2.728
  182    H    GLU  23           HN       GLU  23   7.010  -5.028  -0.659
  183    HA   GLU  23           HA       GLU  23   9.658  -5.213  -1.593
  184    HB2  GLU  23           HB2      GLU  23   7.837  -2.805  -1.764
  185    HB3  GLU  23           HB1      GLU  23   9.217  -3.149  -2.796
  186    HG2  GLU  23           HG2      GLU  23   6.644  -4.703  -2.659
  187    HG3  GLU  23           HG1      GLU  23   7.168  -3.636  -3.960
  188    H    VAL  24           HN       VAL  24   8.140  -2.892   0.640
  189    HA   VAL  24           HA       VAL  24  10.420  -1.355   1.157
  190    HB   VAL  24           HB       VAL  24   8.060  -1.916   2.994
  191   HG11  VAL  24          HG11      VAL  24  10.178   0.238   3.182
  192   HG12  VAL  24          HG12      VAL  24  10.056  -1.164   4.249
  193   HG13  VAL  24          HG13      VAL  24   8.779   0.054   4.244
  194   HG21  VAL  24          HG21      VAL  24   8.707   0.366   1.146
  195   HG22  VAL  24          HG22      VAL  24   7.383   0.347   2.308
  196   HG23  VAL  24          HG23      VAL  24   7.400  -0.807   0.975
  197    H    ALA  25           HN       ALA  25   9.146  -4.217   2.834
  198    HA   ALA  25           HA       ALA  25  10.905  -4.213   5.003
  199    HB1  ALA  25           HB1      ALA  25   8.857  -5.561   4.916
  200    HB2  ALA  25           HB2      ALA  25  10.264  -6.548   5.322
  201    HB3  ALA  25           HB3      ALA  25   9.593  -6.594   3.690
  202    H    ARG  26           HN       ARG  26  11.207  -5.772   1.839
  203    HA   ARG  26           HA       ARG  26  13.622  -7.131   2.420
  204    HB2  ARG  26           HB2      ARG  26  12.461  -6.273  -0.237
  205    HB3  ARG  26           HB1      ARG  26  13.792  -7.407  -0.034
  206    HG2  ARG  26           HG2      ARG  26  12.366  -8.973   1.089
  207    HG3  ARG  26           HG1      ARG  26  11.034  -7.816   1.100
  208    HD2  ARG  26           HD2      ARG  26  11.051  -7.856  -1.378
  209    HD3  ARG  26           HD1      ARG  26  12.284  -9.117  -1.313
  210    HE   ARG  26           HE       ARG  26  10.114  -9.927   0.258
  211   HH11  ARG  26          HH11      ARG  26  10.860  -9.340  -3.105
  212   HH12  ARG  26          HH12      ARG  26   9.717 -10.501  -3.694
  213   HH21  ARG  26          HH21      ARG  26   8.601 -11.442  -0.502
  214   HH22  ARG  26          HH22      ARG  26   8.417 -11.694  -2.210
  215    H    LEU  27           HN       LEU  27  12.928  -4.043   0.825
  216    HA   LEU  27           HA       LEU  27  15.592  -3.322   0.275
  217    HB2  LEU  27           HB2      LEU  27  13.006  -1.880   0.524
  218    HB3  LEU  27           HB1      LEU  27  14.472  -0.931   0.582
  219    HG   LEU  27           HG       LEU  27  15.059  -1.474  -1.633
  220   HD11  LEU  27          HD11      LEU  27  14.601  -3.874  -1.565
  221   HD12  LEU  27          HD12      LEU  27  13.898  -3.118  -2.995
  222   HD13  LEU  27          HD13      LEU  27  12.868  -3.545  -1.628
  223   HD21  LEU  27          HD21      LEU  27  13.268   0.152  -1.463
  224   HD22  LEU  27          HD22      LEU  27  12.070  -1.140  -1.515
  225   HD23  LEU  27          HD23      LEU  27  13.090  -0.825  -2.918
  226    H    LYS  28           HN       LYS  28  13.547  -2.830   3.108
  227    HA   LYS  28           HA       LYS  28  15.234  -1.142   4.571
  228    HB2  LYS  28           HB2      LYS  28  13.081  -3.086   5.327
  229    HB3  LYS  28           HB1      LYS  28  14.055  -2.344   6.587
  230    HG2  LYS  28           HG2      LYS  28  12.458  -0.835   4.530
  231    HG3  LYS  28           HG1      LYS  28  11.936  -1.167   6.183
  232    HD2  LYS  28           HD2      LYS  28  13.879   0.066   7.036
  233    HD3  LYS  28           HD1      LYS  28  14.382   0.413   5.382
  234    HE2  LYS  28           HE2      LYS  28  12.315   1.657   5.009
  235    HE3  LYS  28           HE1      LYS  28  11.792   1.291   6.651
  236    HZ1  LYS  28           HZ1      LYS  28  13.620   2.551   7.515
  237    HZ2  LYS  28           HZ2      LYS  28  12.776   3.517   6.414
  238    HZ3  LYS  28           HZ3      LYS  28  14.246   2.814   5.968
  239    H    LYS  29           HN       LYS  29  15.383  -4.572   4.005
  240    HA   LYS  29           HA       LYS  29  17.161  -5.172   6.162
  241    HB2  LYS  29           HB2      LYS  29  15.692  -6.852   5.036
  242    HB3  LYS  29           HB1      LYS  29  16.696  -6.717   3.602
  243    HG2  LYS  29           HG2      LYS  29  17.336  -8.683   4.796
  244    HG3  LYS  29           HG1      LYS  29  18.633  -7.493   4.945
  245    HD2  LYS  29           HD2      LYS  29  18.278  -8.552   7.083
  246    HD3  LYS  29           HD1      LYS  29  17.746  -6.866   7.173
  247    HE2  LYS  29           HE2      LYS  29  16.151  -8.313   8.291
  248    HE3  LYS  29           HE1      LYS  29  15.420  -7.604   6.853
  249    HZ1  LYS  29           HZ1      LYS  29  16.538 -10.348   7.046
  250    HZ2  LYS  29           HZ2      LYS  29  15.823  -9.672   5.674
  251    HZ3  LYS  29           HZ3      LYS  29  14.896  -9.953   7.058
  252    H    LEU  30           HN       LEU  30  17.507  -4.267   2.800
  253    HA   LEU  30           HA       LEU  30  20.340  -4.753   2.714
  254    HB2  LEU  30           HB2      LEU  30  18.339  -3.616   0.802
  255    HB3  LEU  30           HB1      LEU  30  20.051  -3.400   0.499
  256    HG   LEU  30           HG       LEU  30  20.308  -5.890   0.584
  257   HD11  LEU  30          HD11      LEU  30  18.321  -7.273   0.305
  258   HD12  LEU  30          HD12      LEU  30  17.299  -5.854   0.538
  259   HD13  LEU  30          HD13      LEU  30  18.312  -6.437   1.859
  260   HD21  LEU  30          HD21      LEU  30  19.387  -6.256  -1.653
  261   HD22  LEU  30          HD22      LEU  30  20.190  -4.691  -1.528
  262   HD23  LEU  30          HD23      LEU  30  18.430  -4.783  -1.495
  263    H    VAL  31           HN       VAL  31  18.247  -1.887   2.878
  264    HA   VAL  31           HA       VAL  31  20.434  -0.042   3.066
  265    HB   VAL  31           HB       VAL  31  17.561   0.320   3.965
  266   HG11  VAL  31          HG11      VAL  31  18.003   2.713   3.747
  267   HG12  VAL  31          HG12      VAL  31  19.682   2.369   3.335
  268   HG13  VAL  31          HG13      VAL  31  19.070   1.970   4.940
  269   HG21  VAL  31          HG21      VAL  31  18.869   0.997   1.334
  270   HG22  VAL  31          HG22      VAL  31  17.228   1.439   1.806
  271   HG23  VAL  31          HG23      VAL  31  17.662  -0.259   1.610
  272    H    GLY  32           HN       GLY  32  18.713  -2.089   5.205
  273    HA2  GLY  32           HA2      GLY  32  19.313  -0.839   7.670
  274    HA3  GLY  32           HA1      GLY  32  18.816  -2.509   7.431
  275    H    GLU  33           HN       GLU  33  20.775  -3.688   6.089
  276    HA   GLU  33           HA       GLU  33  23.038  -3.425   7.941
  277    HB2  GLU  33           HB2      GLU  33  21.918  -5.754   6.414
  278    HB3  GLU  33           HB1      GLU  33  23.582  -5.779   6.973
  279    HG2  GLU  33           HG2      GLU  33  22.144  -6.930   8.534
  280    HG3  GLU  33           HG1      GLU  33  22.816  -5.480   9.274
  281    H1   GLY   1           HT1      GLY   1 -24.179   6.905   0.486
  282    H2   GLY   1           HT2      GLY   1 -25.392   7.607   1.430
  283    H3   GLY   1           HT3      GLY   1 -25.242   5.928   1.366
  284    HA2  GLY   1           HA1      GLY   1 -23.299   7.826   2.556
  285    HA3  GLY   1           HA2      GLY   1 -24.360   6.739   3.439
  286    H    SER   2           HN       SER   2 -24.099   4.436   1.893
  287    HA   SER   2           HA       SER   2 -21.898   3.226   3.055
  288    HB2  SER   2           HB2      SER   2 -22.346   1.414   1.275
  289    HB3  SER   2           HB1      SER   2 -23.661   1.816   2.384
  290    HG   SER   2           HG       SER   2 -24.504   1.791   0.327
  291    H    MET   3           HN       MET   3 -22.237   4.592  -0.194
  292    HA   MET   3           HA       MET   3 -19.869   3.630  -1.298
  293    HB2  MET   3           HB2      MET   3 -21.489   6.102  -1.843
  294    HB3  MET   3           HB1      MET   3 -20.008   5.769  -2.730
  295    HG2  MET   3           HG2      MET   3 -22.387   3.931  -2.593
  296    HG3  MET   3           HG1      MET   3 -22.033   5.041  -3.916
  297    HE1  MET   3           HE1      MET   3 -21.262   1.491  -5.431
  298    HE2  MET   3           HE2      MET   3 -22.220   2.963  -5.589
  299    HE3  MET   3           HE3      MET   3 -22.507   1.866  -4.240
  300    H    LYS   4           HN       LYS   4 -20.427   6.655   0.491
  301    HA   LYS   4           HA       LYS   4 -17.726   7.531   0.164
  302    HB2  LYS   4           HB2      LYS   4 -20.004   8.488   1.876
  303    HB3  LYS   4           HB1      LYS   4 -18.409   9.222   1.944
  304    HG2  LYS   4           HG2      LYS   4 -20.086   9.006  -0.543
  305    HG3  LYS   4           HG1      LYS   4 -19.995  10.431   0.490
  306    HD2  LYS   4           HD2      LYS   4 -17.678   9.166  -0.976
  307    HD3  LYS   4           HD1      LYS   4 -18.535  10.626  -1.467
  308    HE2  LYS   4           HE2      LYS   4 -16.946  10.256   1.071
  309    HE3  LYS   4           HE1      LYS   4 -16.458  11.191  -0.340
  310    HZ1  LYS   4           HZ1      LYS   4 -18.769  11.772   1.429
  311    HZ2  LYS   4           HZ2      LYS   4 -18.377  12.641   0.035
  312    HZ3  LYS   4           HZ3      LYS   4 -17.320  12.640   1.353
  313    H    GLN   5           HN       GLN   5 -19.116   5.281   2.230
  314    HA   GLN   5           HA       GLN   5 -17.199   5.767   4.379
  315    HB2  GLN   5           HB2      GLN   5 -19.570   3.898   4.199
  316    HB3  GLN   5           HB1      GLN   5 -18.476   3.971   5.575
  317    HG2  GLN   5           HG2      GLN   5 -19.104   6.284   5.972
  318    HG3  GLN   5           HG1      GLN   5 -20.167   6.248   4.567
  319   HE21  GLN   5          HE21      GLN   5 -19.823   3.545   6.734
  320   HE22  GLN   5          HE22      GLN   5 -21.397   3.656   7.437
  321    H    LEU   6           HN       LEU   6 -18.291   3.288   2.130
  322    HA   LEU   6           HA       LEU   6 -16.226   1.439   2.726
  323    HB2  LEU   6           HB2      LEU   6 -18.206   1.774   0.515
  324    HB3  LEU   6           HB1      LEU   6 -16.865   0.682   0.283
  325    HG   LEU   6           HG       LEU   6 -18.961  -0.438   1.006
  326   HD11  LEU   6          HD11      LEU   6 -17.948  -1.917   2.574
  327   HD12  LEU   6          HD12      LEU   6 -16.778  -0.699   3.063
  328   HD13  LEU   6          HD13      LEU   6 -16.701  -1.391   1.444
  329   HD21  LEU   6          HD21      LEU   6 -19.681  -0.244   3.333
  330   HD22  LEU   6          HD22      LEU   6 -19.836   1.292   2.479
  331   HD23  LEU   6          HD23      LEU   6 -18.495   1.034   3.596
  332    H    GLU   7           HN       GLU   7 -16.668   3.894   0.187
  333    HA   GLU   7           HA       GLU   7 -14.157   3.453  -1.034
  334    HB2  GLU   7           HB2      GLU   7 -16.056   4.682  -2.086
  335    HB3  GLU   7           HB1      GLU   7 -15.736   6.028  -1.003
  336    HG2  GLU   7           HG2      GLU   7 -13.548   6.341  -1.977
  337    HG3  GLU   7           HG1      GLU   7 -13.777   4.926  -3.004
  338    H    ASP   8           HN       ASP   8 -15.138   5.421   1.755
  339    HA   ASP   8           HA       ASP   8 -12.692   6.800   2.046
  340    HB2  ASP   8           HB2      ASP   8 -15.001   6.258   3.749
  341    HB3  ASP   8           HB1      ASP   8 -13.489   6.350   4.648
  342    H    LYS   9           HN       LYS   9 -13.595   3.520   2.792
  343    HA   LYS   9           HA       LYS   9 -11.249   2.925   4.325
  344    HB2  LYS   9           HB2      LYS   9 -13.065   1.017   2.837
  345    HB3  LYS   9           HB1      LYS   9 -11.934   0.601   4.117
  346    HG2  LYS   9           HG2      LYS   9 -13.233   1.857   5.719
  347    HG3  LYS   9           HG1      LYS   9 -14.336   2.382   4.445
  348    HD2  LYS   9           HD2      LYS   9 -14.896  -0.003   4.028
  349    HD3  LYS   9           HD1      LYS   9 -13.896  -0.438   5.415
  350    HE2  LYS   9           HE2      LYS   9 -16.337   1.329   5.463
  351    HE3  LYS   9           HE1      LYS   9 -16.245  -0.333   6.039
  352    HZ1  LYS   9           HZ1      LYS   9 -16.078   1.250   7.854
  353    HZ2  LYS   9           HZ2      LYS   9 -14.721   1.959   7.145
  354    HZ3  LYS   9           HZ3      LYS   9 -14.645   0.369   7.701
  355    H    VAL  10           HN       VAL  10 -12.252   2.507   0.967
  356    HA   VAL  10           HA       VAL  10 -10.037   1.068   0.033
  357    HB   VAL  10           HB       VAL  10 -11.499   3.111  -1.626
  358   HG11  VAL  10          HG11      VAL  10  -9.593   2.073  -2.685
  359   HG12  VAL  10          HG12      VAL  10 -11.085   1.506  -3.436
  360   HG13  VAL  10          HG13      VAL  10 -10.223   0.472  -2.294
  361   HG21  VAL  10          HG21      VAL  10 -13.123   1.700  -0.362
  362   HG22  VAL  10          HG22      VAL  10 -12.431   0.292  -1.168
  363   HG23  VAL  10          HG23      VAL  10 -13.225   1.547  -2.114
  364    H    GLU  11           HN       GLU  11 -10.687   4.568  -0.155
  365    HA   GLU  11           HA       GLU  11  -8.156   5.180  -1.296
  366    HB2  GLU  11           HB2      GLU  11 -10.193   6.579  -1.568
  367    HB3  GLU  11           HB1      GLU  11 -10.091   7.027   0.129
  368    HG2  GLU  11           HG2      GLU  11  -7.950   8.102  -0.262
  369    HG3  GLU  11           HG1      GLU  11  -8.003   7.619  -1.956
  370    H    GLU  12           HN       GLU  12  -9.185   4.655   1.958
  371    HA   GLU  12           HA       GLU  12  -7.126   6.085   3.288
  372    HB2  GLU  12           HB2      GLU  12  -9.129   5.235   4.464
  373    HB3  GLU  12           HB1      GLU  12  -8.592   3.586   4.169
  374    HG2  GLU  12           HG2      GLU  12  -6.591   4.003   5.516
  375    HG3  GLU  12           HG1      GLU  12  -7.156   5.643   5.831
  376    H    LEU  13           HN       LEU  13  -7.457   2.728   2.195
  377    HA   LEU  13           HA       LEU  13  -4.791   2.001   2.857
  378    HB2  LEU  13           HB2      LEU  13  -6.746   0.769   0.921
  379    HB3  LEU  13           HB1      LEU  13  -5.208   0.053   1.368
  380    HG   LEU  13           HG       LEU  13  -7.540   0.560   3.218
  381   HD11  LEU  13          HD11      LEU  13  -6.321  -2.002   2.211
  382   HD12  LEU  13          HD12      LEU  13  -7.854  -1.312   1.680
  383   HD13  LEU  13          HD13      LEU  13  -7.664  -1.860   3.346
  384   HD21  LEU  13          HD21      LEU  13  -4.829  -0.642   3.774
  385   HD22  LEU  13          HD22      LEU  13  -6.196  -0.648   4.891
  386   HD23  LEU  13          HD23      LEU  13  -5.455   0.879   4.411
  387    H    LEU  14           HN       LEU  14  -6.307   3.547   0.164
  388    HA   LEU  14           HA       LEU  14  -4.208   3.348  -1.722
  389    HB2  LEU  14           HB2      LEU  14  -6.623   4.135  -2.061
  390    HB3  LEU  14           HB1      LEU  14  -6.098   5.673  -1.412
  391    HG   LEU  14           HG       LEU  14  -4.392   5.778  -3.263
  392   HD11  LEU  14          HD11      LEU  14  -4.761   4.378  -5.217
  393   HD12  LEU  14          HD12      LEU  14  -6.034   3.505  -4.362
  394   HD13  LEU  14          HD13      LEU  14  -4.360   3.394  -3.809
  395   HD21  LEU  14          HD21      LEU  14  -7.305   5.682  -4.035
  396   HD22  LEU  14          HD22      LEU  14  -6.025   6.482  -4.947
  397   HD23  LEU  14          HD23      LEU  14  -6.455   7.062  -3.339
  398    H    SER  15           HN       SER  15  -4.858   5.443   0.972
  399    HA   SER  15           HA       SER  15  -2.951   7.454   0.347
  400    HB2  SER  15           HB2      SER  15  -4.949   7.858   1.768
  401    HB3  SER  15           HB1      SER  15  -4.259   6.808   3.003
  402    HG   SER  15           HG       SER  15  -2.846   8.315   3.530
  403    H    LYS  16           HN       LYS  16  -2.969   4.635   2.534
  404    HA   LYS  16           HA       LYS  16  -0.262   5.107   3.299
  405    HB2  LYS  16           HB2      LYS  16  -0.253   2.838   4.232
  406    HB3  LYS  16           HB1      LYS  16  -1.583   3.821   4.824
  407    HG2  LYS  16           HG2      LYS  16  -3.126   2.656   3.373
  408    HG3  LYS  16           HG1      LYS  16  -1.801   1.724   2.672
  409    HD2  LYS  16           HD2      LYS  16  -2.464   1.685   5.609
  410    HD3  LYS  16           HD1      LYS  16  -3.159   0.549   4.451
  411    HE2  LYS  16           HE2      LYS  16  -0.995  -0.306   3.893
  412    HE3  LYS  16           HE1      LYS  16  -0.198   0.940   4.855
  413    HZ1  LYS  16           HZ1      LYS  16  -0.272  -1.184   6.002
  414    HZ2  LYS  16           HZ2      LYS  16  -1.956  -1.196   5.917
  415    HZ3  LYS  16           HZ3      LYS  16  -1.166  -0.022   6.838
  416    H    ASN  17           HN       ASN  17  -1.789   3.076   0.815
  417    HA   ASN  17           HA       ASN  17   0.504   1.875  -0.271
  418    HB2  ASN  17           HB2      ASN  17  -2.147   2.738  -1.306
  419    HB3  ASN  17           HB1      ASN  17  -0.886   2.563  -2.520
  420   HD21  ASN  17          HD21      ASN  17  -3.385   1.039  -1.724
  421   HD22  ASN  17          HD22      ASN  17  -2.859  -0.606  -1.646
  422    H    TYR  18           HN       TYR  18  -0.788   5.153  -0.654
  423    HA   TYR  18           HA       TYR  18   1.090   6.088  -2.526
  424    HB2  TYR  18           HB2      TYR  18  -0.907   7.357  -2.000
  425    HB3  TYR  18           HB1      TYR  18  -0.393   7.545  -0.328
  426    HD1  TYR  18           HD1      TYR  18   0.996   9.336   0.317
  427    HD2  TYR  18           HD2      TYR  18   0.417   8.508  -3.816
  428    HE1  TYR  18           HE1      TYR  18   2.098  11.455  -0.256
  429    HE2  TYR  18           HE2      TYR  18   1.522  10.625  -4.401
  430    HH   TYR  18           HH       TYR  18   1.961  12.820  -3.349
  431    H    HIS  19           HN       HIS  19   1.129   6.283   1.025
  432    HA   HIS  19           HA       HIS  19   3.700   7.536   1.097
  433    HB2  HIS  19           HB2      HIS  19   1.957   6.332   3.243
  434    HB3  HIS  19           HB1      HIS  19   3.521   7.064   3.583
  435    HD1  HIS  19           HD1      HIS  19   0.033   7.880   3.446
  436    HD2  HIS  19           HD2      HIS  19   3.571   9.893   2.593
  437    HE1  HIS  19           HE1      HIS  19  -0.554  10.323   3.474
  438    HE2  HIS  19           HE2      HIS  19   1.614  11.526   3.031
  439    H    LEU  20           HN       LEU  20   2.546   4.238   1.441
  440    HA   LEU  20           HA       LEU  20   4.940   3.128   2.385
  441    HB2  LEU  20           HB2      LEU  20   2.760   2.066   2.676
  442    HB3  LEU  20           HB1      LEU  20   2.568   1.918   0.941
  443    HG   LEU  20           HG       LEU  20   4.298   0.365   0.811
  444   HD11  LEU  20          HD11      LEU  20   5.724   1.311   2.588
  445   HD12  LEU  20          HD12      LEU  20   5.547  -0.436   2.695
  446   HD13  LEU  20          HD13      LEU  20   4.634   0.607   3.781
  447   HD21  LEU  20          HD21      LEU  20   3.409  -1.479   2.176
  448   HD22  LEU  20          HD22      LEU  20   2.154  -0.573   1.321
  449   HD23  LEU  20          HD23      LEU  20   2.422  -0.302   3.045
  450    H    GLU  21           HN       GLU  21   3.642   3.764  -0.833
  451    HA   GLU  21           HA       GLU  21   5.767   2.548  -2.264
  452    HB2  GLU  21           HB2      GLU  21   3.379   3.480  -3.025
  453    HB3  GLU  21           HB1      GLU  21   4.346   4.894  -3.409
  454    HG2  GLU  21           HG2      GLU  21   4.789   2.112  -4.470
  455    HG3  GLU  21           HG1      GLU  21   4.050   3.448  -5.346
  456    H    ASN  22           HN       ASN  22   5.198   5.760  -0.935
  457    HA   ASN  22           HA       ASN  22   7.478   7.054  -1.907
  458    HB2  ASN  22           HB2      ASN  22   6.075   7.353   0.760
  459    HB3  ASN  22           HB1      ASN  22   7.367   8.415   0.220
  460   HD21  ASN  22          HD21      ASN  22   6.531   8.462  -2.540
  461   HD22  ASN  22          HD22      ASN  22   5.098   9.425  -2.600
  462    H    GLU  23           HN       GLU  23   7.012   4.949   0.893
  463    HA   GLU  23           HA       GLU  23   9.622   5.125   1.930
  464    HB2  GLU  23           HB2      GLU  23   7.783   2.728   2.045
  465    HB3  GLU  23           HB1      GLU  23   9.120   3.076   3.132
  466    HG2  GLU  23           HG2      GLU  23   6.562   4.635   2.871
  467    HG3  GLU  23           HG1      GLU  23   7.030   3.582   4.204
  468    H    VAL  24           HN       VAL  24   8.181   2.796  -0.344
  469    HA   VAL  24           HA       VAL  24  10.470   1.243  -0.758
  470    HB   VAL  24           HB       VAL  24   8.189   1.803  -2.693
  471   HG11  VAL  24          HG11      VAL  24  10.296  -0.368  -2.780
  472   HG12  VAL  24          HG12      VAL  24  10.227   1.027  -3.863
  473   HG13  VAL  24          HG13      VAL  24   8.942  -0.182  -3.898
  474   HG21  VAL  24          HG21      VAL  24   8.744  -0.467  -0.801
  475   HG22  VAL  24          HG22      VAL  24   7.470  -0.451  -2.016
  476   HG23  VAL  24          HG23      VAL  24   7.440   0.716  -0.694
  477    H    ALA  25           HN       ALA  25   9.284   4.099  -2.505
  478    HA   ALA  25           HA       ALA  25  11.128   4.068  -4.605
  479    HB1  ALA  25           HB1      ALA  25   9.085   5.425  -4.610
  480    HB2  ALA  25           HB2      ALA  25  10.512   6.403  -4.966
  481    HB3  ALA  25           HB3      ALA  25   9.776   6.466  -3.365
  482    H    ARG  26           HN       ARG  26  11.312   5.640  -1.439
  483    HA   ARG  26           HA       ARG  26  13.756   6.987  -1.932
  484    HB2  ARG  26           HB2      ARG  26  12.484   6.156   0.682
  485    HB3  ARG  26           HB1      ARG  26  13.829   7.281   0.525
  486    HG2  ARG  26           HG2      ARG  26  12.460   8.843  -0.669
  487    HG3  ARG  26           HG1      ARG  26  11.124   7.695  -0.726
  488    HD2  ARG  26           HD2      ARG  26  11.035   7.757   1.750
  489    HD3  ARG  26           HD1      ARG  26  12.278   9.007   1.729
  490    HE   ARG  26           HE       ARG  26  10.181   9.814   0.060
  491   HH11  ARG  26          HH11      ARG  26  10.794   9.254   3.458
  492   HH12  ARG  26          HH12      ARG  26   9.637  10.430   3.995
  493   HH21  ARG  26          HH21      ARG  26   8.648  11.348   0.751
  494   HH22  ARG  26          HH22      ARG  26   8.408  11.619   2.448
  495    H    LEU  27           HN       LEU  27  12.977   3.914  -0.352
  496    HA   LEU  27           HA       LEU  27  15.612   3.183   0.319
  497    HB2  LEU  27           HB2      LEU  27  13.027   1.758  -0.019
  498    HB3  LEU  27           HB1      LEU  27  14.486   0.795  -0.016
  499    HG   LEU  27           HG       LEU  27  14.992   1.350   2.217
  500   HD11  LEU  27          HD11      LEU  27  14.557   3.754   2.117
  501   HD12  LEU  27          HD12      LEU  27  13.796   3.009   3.523
  502   HD13  LEU  27          HD13      LEU  27  12.820   3.436   2.116
  503   HD21  LEU  27          HD21      LEU  27  13.199  -0.265   1.989
  504   HD22  LEU  27          HD22      LEU  27  12.008   1.036   1.983
  505   HD23  LEU  27          HD23      LEU  27  12.968   0.725   3.427
  506    H    LYS  28           HN       LYS  28  13.679   2.679  -2.589
  507    HA   LYS  28           HA       LYS  28  15.413   0.973  -3.972
  508    HB2  LYS  28           HB2      LYS  28  13.306   2.923  -4.826
  509    HB3  LYS  28           HB1      LYS  28  14.322   2.163  -6.040
  510    HG2  LYS  28           HG2      LYS  28  12.632   0.683  -4.037
  511    HG3  LYS  28           HG1      LYS  28  12.181   1.004  -5.711
  512    HD2  LYS  28           HD2      LYS  28  14.148  -0.244  -6.475
  513    HD3  LYS  28           HD1      LYS  28  14.578  -0.584  -4.800
  514    HE2  LYS  28           HE2      LYS  28  12.494  -1.815  -4.508
  515    HE3  LYS  28           HE1      LYS  28  12.040  -1.452  -6.172
  516    HZ1  LYS  28           HZ1      LYS  28  13.906  -2.718  -6.957
  517    HZ2  LYS  28           HZ2      LYS  28  13.001  -3.681  -5.904
  518    HZ3  LYS  28           HZ3      LYS  28  14.452  -2.990  -5.382
  519    H    LYS  29           HN       LYS  29  15.560   4.406  -3.432
  520    HA   LYS  29           HA       LYS  29  17.428   4.974  -5.517
  521    HB2  LYS  29           HB2      LYS  29  15.928   6.673  -4.459
  522    HB3  LYS  29           HB1      LYS  29  16.877   6.541  -2.988
  523    HG2  LYS  29           HG2      LYS  29  17.572   8.494  -4.171
  524    HG3  LYS  29           HG1      LYS  29  18.869   7.297  -4.258
  525    HD2  LYS  29           HD2      LYS  29  18.602   8.343  -6.416
  526    HD3  LYS  29           HD1      LYS  29  18.070   6.659  -6.516
  527    HE2  LYS  29           HE2      LYS  29  16.525   8.103  -7.705
  528    HE3  LYS  29           HE1      LYS  29  15.737   7.403  -6.294
  529    HZ1  LYS  29           HZ1      LYS  29  16.868  10.143  -6.454
  530    HZ2  LYS  29           HZ2      LYS  29  16.089   9.477  -5.111
  531    HZ3  LYS  29           HZ3      LYS  29  15.226   9.751  -6.536
  532    H    LEU  30           HN       LEU  30  17.637   4.106  -2.133
  533    HA   LEU  30           HA       LEU  30  20.464   4.566  -1.936
  534    HB2  LEU  30           HB2      LEU  30  18.376   3.460  -0.102
  535    HB3  LEU  30           HB1      LEU  30  20.070   3.229   0.272
  536    HG   LEU  30           HG       LEU  30  20.354   5.717   0.179
  537   HD11  LEU  30          HD11      LEU  30  18.372   7.119   0.366
  538   HD12  LEU  30          HD12      LEU  30  17.346   5.708   0.104
  539   HD13  LEU  30          HD13      LEU  30  18.419   6.270  -1.179
  540   HD21  LEU  30          HD21      LEU  30  19.350   6.110   2.374
  541   HD22  LEU  30          HD22      LEU  30  20.145   4.538   2.295
  542   HD23  LEU  30          HD23      LEU  30  18.388   4.644   2.192
  543    H    VAL  31           HN       VAL  31  18.362   1.713  -2.168
  544    HA   VAL  31           HA       VAL  31  20.541  -0.144  -2.248
  545    HB   VAL  31           HB       VAL  31  17.705  -0.499  -3.261
  546   HG11  VAL  31          HG11      VAL  31  18.126  -2.895  -3.012
  547   HG12  VAL  31          HG12      VAL  31  19.791  -2.555  -2.538
  548   HG13  VAL  31          HG13      VAL  31  19.240  -2.165  -4.167
  549   HG21  VAL  31          HG21      VAL  31  18.901  -1.167  -0.575
  550   HG22  VAL  31          HG22      VAL  31  17.278  -1.601  -1.109
  551   HG23  VAL  31          HG23      VAL  31  17.716   0.095  -0.907
  552    H    GLY  32           HN       GLY  32  18.916   1.892  -4.474
  553    HA2  GLY  32           HA2      GLY  32  19.611   0.620  -6.902
  554    HA3  GLY  32           HA1      GLY  32  19.119   2.297  -6.698
  555    H    GLU  33           HN       GLU  33  21.016   3.485  -5.299
  556    HA   GLU  33           HA       GLU  33  23.362   3.180  -7.039
  557    HB2  GLU  33           HB2      GLU  33  22.198   5.530  -5.578
  558    HB3  GLU  33           HB1      GLU  33  23.883   5.537  -6.072
  559    HG2  GLU  33           HG2      GLU  33  22.519   6.687  -7.698
  560    HG3  GLU  33           HG1      GLU  33  23.207   5.226  -8.398
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1 -24.324  -6.630  -6.484
    2    H2   GLY   1           HT2      GLY   1 -22.710  -6.277  -6.114
    3    H3   GLY   1           HT3      GLY   1 -23.573  -5.286  -7.179
    4    HA2  GLY   1           HA1      GLY   1 -25.052  -4.597  -5.412
    5    HA3  GLY   1           HA2      GLY   1 -24.175  -5.637  -4.300
    6    H    SER   2           HN       SER   2 -23.208  -4.253  -2.937
    7    HA   SER   2           HA       SER   2 -21.311  -2.354  -4.110
    8    HB2  SER   2           HB2      SER   2 -21.973  -0.794  -2.143
    9    HB3  SER   2           HB1      SER   2 -23.020  -0.853  -3.561
   10    HG   SER   2           HG       SER   2 -23.433  -1.880  -0.981
   11    H    MET   3           HN       MET   3 -22.296  -4.344  -1.413
   12    HA   MET   3           HA       MET   3 -20.368  -3.620   0.458
   13    HB2  MET   3           HB2      MET   3 -22.332  -4.963   1.015
   14    HB3  MET   3           HB1      MET   3 -21.712  -6.295   0.053
   15    HG2  MET   3           HG2      MET   3 -21.102  -6.999   2.120
   16    HG3  MET   3           HG1      MET   3 -19.661  -6.088   1.685
   17    HE1  MET   3           HE1      MET   3 -19.900  -2.888   3.834
   18    HE2  MET   3           HE2      MET   3 -20.573  -2.961   2.210
   19    HE3  MET   3           HE3      MET   3 -19.047  -3.772   2.567
   20    H    LYS   4           HN       LYS   4 -20.279  -6.473  -1.708
   21    HA   LYS   4           HA       LYS   4 -17.503  -6.889  -0.984
   22    HB2  LYS   4           HB2      LYS   4 -17.630  -8.946  -2.246
   23    HB3  LYS   4           HB1      LYS   4 -19.028  -8.818  -1.191
   24    HG2  LYS   4           HG2      LYS   4 -20.457  -8.285  -3.001
   25    HG3  LYS   4           HG1      LYS   4 -19.093  -8.046  -4.093
   26    HD2  LYS   4           HD2      LYS   4 -20.063 -10.169  -4.594
   27    HD3  LYS   4           HD1      LYS   4 -18.526 -10.461  -3.785
   28    HE2  LYS   4           HE2      LYS   4 -20.177 -11.971  -2.906
   29    HE3  LYS   4           HE1      LYS   4 -19.755 -10.796  -1.664
   30    HZ1  LYS   4           HZ1      LYS   4 -22.163 -10.659  -3.397
   31    HZ2  LYS   4           HZ2      LYS   4 -21.767  -9.584  -2.155
   32    HZ3  LYS   4           HZ3      LYS   4 -22.144 -11.189  -1.792
   33    H    GLN   5           HN       GLN   5 -19.038  -5.004  -3.188
   34    HA   GLN   5           HA       GLN   5 -17.211  -5.365  -5.408
   35    HB2  GLN   5           HB2      GLN   5 -19.654  -3.735  -4.904
   36    HB3  GLN   5           HB1      GLN   5 -18.499  -3.108  -6.067
   37    HG2  GLN   5           HG2      GLN   5 -20.317  -4.408  -7.094
   38    HG3  GLN   5           HG1      GLN   5 -18.717  -5.063  -7.431
   39   HE21  GLN   5          HE21      GLN   5 -18.153  -7.049  -6.637
   40   HE22  GLN   5          HE22      GLN   5 -19.295  -8.129  -5.912
   41    H    LEU   6           HN       LEU   6 -18.061  -2.863  -3.068
   42    HA   LEU   6           HA       LEU   6 -15.835  -1.201  -3.607
   43    HB2  LEU   6           HB2      LEU   6 -17.802  -1.453  -1.364
   44    HB3  LEU   6           HB1      LEU   6 -16.362  -0.491  -1.123
   45    HG   LEU   6           HG       LEU   6 -18.399   0.812  -1.758
   46   HD11  LEU   6          HD11      LEU   6 -17.259   2.290  -3.266
   47   HD12  LEU   6          HD12      LEU   6 -16.151   1.014  -3.757
   48   HD13  LEU   6          HD13      LEU   6 -16.093   1.645  -2.111
   49   HD21  LEU   6          HD21      LEU   6 -19.374  -0.769  -3.341
   50   HD22  LEU   6          HD22      LEU   6 -18.013  -0.523  -4.436
   51   HD23  LEU   6          HD23      LEU   6 -19.117   0.807  -4.090
   52    H    GLU   7           HN       GLU   7 -16.516  -3.736  -1.232
   53    HA   GLU   7           HA       GLU   7 -14.047  -3.681   0.089
   54    HB2  GLU   7           HB2      GLU   7 -16.039  -4.914   0.897
   55    HB3  GLU   7           HB1      GLU   7 -15.810  -6.085  -0.392
   56    HG2  GLU   7           HG2      GLU   7 -13.655  -6.715   0.540
   57    HG3  GLU   7           HG1      GLU   7 -13.851  -5.519   1.817
   58    H    ASP   8           HN       ASP   8 -15.042  -5.259  -2.927
   59    HA   ASP   8           HA       ASP   8 -12.748  -6.821  -3.336
   60    HB2  ASP   8           HB2      ASP   8 -14.823  -5.680  -5.083
   61    HB3  ASP   8           HB1      ASP   8 -13.278  -5.964  -5.877
   62    H    LYS   9           HN       LYS   9 -13.339  -3.418  -4.051
   63    HA   LYS   9           HA       LYS   9 -10.811  -2.960  -5.263
   64    HB2  LYS   9           HB2      LYS   9 -12.719  -1.510  -5.717
   65    HB3  LYS   9           HB1      LYS   9 -12.787  -1.031  -4.029
   66    HG2  LYS   9           HG2      LYS   9 -10.638   0.076  -4.228
   67    HG3  LYS   9           HG1      LYS   9 -10.497  -0.455  -5.903
   68    HD2  LYS   9           HD2      LYS   9 -12.713   1.304  -4.860
   69    HD3  LYS   9           HD1      LYS   9 -11.252   1.907  -5.644
   70    HE2  LYS   9           HE2      LYS   9 -11.837   0.553  -7.645
   71    HE3  LYS   9           HE1      LYS   9 -13.349   0.109  -6.857
   72    HZ1  LYS   9           HZ1      LYS   9 -13.624   1.957  -8.398
   73    HZ2  LYS   9           HZ2      LYS   9 -12.515   2.878  -7.521
   74    HZ3  LYS   9           HZ3      LYS   9 -13.983   2.425  -6.816
   75    H    VAL  10           HN       VAL  10 -12.066  -2.576  -1.979
   76    HA   VAL  10           HA       VAL  10  -9.841  -1.310  -0.828
   77    HB   VAL  10           HB       VAL  10 -11.492  -3.370   0.623
   78   HG11  VAL  10          HG11      VAL  10  -9.572  -2.467   1.816
   79   HG12  VAL  10          HG12      VAL  10 -11.084  -1.942   2.556
   80   HG13  VAL  10          HG13      VAL  10 -10.168  -0.827   1.539
   81   HG21  VAL  10          HG21      VAL  10 -12.896  -1.674  -0.677
   82   HG22  VAL  10          HG22      VAL  10 -12.273  -0.490   0.477
   83   HG23  VAL  10          HG23      VAL  10 -13.214  -1.864   1.046
   84    H    GLU  11           HN       GLU  11 -10.645  -4.756  -1.111
   85    HA   GLU  11           HA       GLU  11  -8.348  -5.759   0.180
   86    HB2  GLU  11           HB2      GLU  11 -10.308  -7.137  -0.115
   87    HB3  GLU  11           HB1      GLU  11 -10.228  -6.979  -1.861
   88    HG2  GLU  11           HG2      GLU  11  -9.483  -9.157  -1.288
   89    HG3  GLU  11           HG1      GLU  11  -8.079  -8.231  -1.811
   90    H    GLU  12           HN       GLU  12  -8.923  -4.783  -3.155
   91    HA   GLU  12           HA       GLU  12  -6.596  -5.937  -4.274
   92    HB2  GLU  12           HB2      GLU  12  -8.278  -3.581  -5.121
   93    HB3  GLU  12           HB1      GLU  12  -6.904  -4.156  -6.056
   94    HG2  GLU  12           HG2      GLU  12  -7.973  -6.325  -6.315
   95    HG3  GLU  12           HG1      GLU  12  -9.341  -5.774  -5.352
   96    H    LEU  13           HN       LEU  13  -7.264  -2.740  -2.891
   97    HA   LEU  13           HA       LEU  13  -4.587  -1.810  -3.162
   98    HB2  LEU  13           HB2      LEU  13  -6.764  -0.940  -1.263
   99    HB3  LEU  13           HB1      LEU  13  -5.243  -0.098  -1.495
  100    HG   LEU  13           HG       LEU  13  -7.463  -0.425  -3.507
  101   HD11  LEU  13          HD11      LEU  13  -6.266   2.007  -2.195
  102   HD12  LEU  13          HD12      LEU  13  -7.812   1.269  -1.780
  103   HD13  LEU  13          HD13      LEU  13  -7.581   1.993  -3.371
  104   HD21  LEU  13          HD21      LEU  13  -5.354  -0.630  -4.669
  105   HD22  LEU  13          HD22      LEU  13  -4.728   0.799  -3.847
  106   HD23  LEU  13          HD23      LEU  13  -6.059   0.953  -4.994
  107    H    LEU  14           HN       LEU  14  -6.323  -3.663  -0.781
  108    HA   LEU  14           HA       LEU  14  -4.423  -3.630   1.297
  109    HB2  LEU  14           HB2      LEU  14  -6.862  -4.593   1.163
  110    HB3  LEU  14           HB1      LEU  14  -6.054  -6.055   0.644
  111    HG   LEU  14           HG       LEU  14  -4.689  -5.941   2.771
  112   HD11  LEU  14          HD11      LEU  14  -5.080  -3.586   3.286
  113   HD12  LEU  14          HD12      LEU  14  -5.609  -4.631   4.604
  114   HD13  LEU  14          HD13      LEU  14  -6.799  -3.926   3.511
  115   HD21  LEU  14          HD21      LEU  14  -6.549  -7.493   2.480
  116   HD22  LEU  14          HD22      LEU  14  -7.676  -6.252   3.030
  117   HD23  LEU  14          HD23      LEU  14  -6.466  -6.898   4.139
  118    H    SER  15           HN       SER  15  -4.668  -5.380  -1.680
  119    HA   SER  15           HA       SER  15  -2.670  -7.329  -1.106
  120    HB2  SER  15           HB2      SER  15  -3.787  -6.435  -3.776
  121    HB3  SER  15           HB1      SER  15  -2.860  -7.907  -3.478
  122    HG   SER  15           HG       SER  15  -5.411  -7.251  -2.399
  123    H    LYS  16           HN       LYS  16  -2.749  -4.217  -2.829
  124    HA   LYS  16           HA       LYS  16   0.025  -4.286  -3.450
  125    HB2  LYS  16           HB2      LYS  16  -1.821  -1.899  -3.207
  126    HB3  LYS  16           HB1      LYS  16  -0.169  -1.842  -3.812
  127    HG2  LYS  16           HG2      LYS  16  -0.950  -3.573  -5.532
  128    HG3  LYS  16           HG1      LYS  16  -2.583  -3.114  -5.048
  129    HD2  LYS  16           HD2      LYS  16  -0.471  -1.225  -6.089
  130    HD3  LYS  16           HD1      LYS  16  -1.802  -1.884  -7.036
  131    HE2  LYS  16           HE2      LYS  16  -3.387  -0.805  -5.460
  132    HE3  LYS  16           HE1      LYS  16  -2.014  -0.061  -4.637
  133    HZ1  LYS  16           HZ1      LYS  16  -2.979   1.462  -6.211
  134    HZ2  LYS  16           HZ2      LYS  16  -2.783   0.355  -7.471
  135    HZ3  LYS  16           HZ3      LYS  16  -1.428   1.029  -6.723
  136    H    ASN  17           HN       ASN  17  -1.866  -3.147  -0.704
  137    HA   ASN  17           HA       ASN  17   0.204  -1.967   0.774
  138    HB2  ASN  17           HB2      ASN  17  -2.417  -3.198   1.432
  139    HB3  ASN  17           HB1      ASN  17  -1.256  -3.079   2.749
  140   HD21  ASN  17          HD21      ASN  17  -3.276  -1.339   0.546
  141   HD22  ASN  17          HD22      ASN  17  -3.110   0.207   1.305
  142    H    TYR  18           HN       TYR  18  -0.784  -5.332   0.369
  143    HA   TYR  18           HA       TYR  18   1.089  -6.434   2.182
  144    HB2  TYR  18           HB2      TYR  18  -0.753  -7.766   1.316
  145    HB3  TYR  18           HB1      TYR  18  -0.133  -7.613  -0.324
  146    HD1  TYR  18           HD1      TYR  18   1.516  -9.095  -1.144
  147    HD2  TYR  18           HD2      TYR  18   0.562  -9.089   3.001
  148    HE1  TYR  18           HE1      TYR  18   2.823 -11.153  -0.849
  149    HE2  TYR  18           HE2      TYR  18   1.871 -11.150   3.310
  150    HH   TYR  18           HH       TYR  18   2.669 -13.039   1.984
  151    H    HIS  19           HN       HIS  19   1.267  -5.884  -1.326
  152    HA   HIS  19           HA       HIS  19   3.862  -6.932  -1.663
  153    HB2  HIS  19           HB2      HIS  19   2.165  -5.085  -3.321
  154    HB3  HIS  19           HB1      HIS  19   3.808  -5.487  -3.805
  155    HD1  HIS  19           HD1      HIS  19   3.711  -7.197  -5.578
  156    HD2  HIS  19           HD2      HIS  19   0.820  -7.848  -2.665
  157    HE1  HIS  19           HE1      HIS  19   2.524  -9.304  -6.263
  158    HE2  HIS  19           HE2      HIS  19   0.686  -9.593  -4.565
  159    H    LEU  20           HN       LEU  20   2.795  -3.541  -1.469
  160    HA   LEU  20           HA       LEU  20   5.312  -2.352  -1.742
  161    HB2  LEU  20           HB2      LEU  20   3.029  -1.286  -0.090
  162    HB3  LEU  20           HB1      LEU  20   4.316  -0.345  -0.806
  163    HG   LEU  20           HG       LEU  20   2.033  -1.693  -2.152
  164   HD11  LEU  20          HD11      LEU  20   1.567   0.573  -2.976
  165   HD12  LEU  20          HD12      LEU  20   2.909   1.163  -1.996
  166   HD13  LEU  20          HD13      LEU  20   1.504   0.436  -1.219
  167   HD21  LEU  20          HD21      LEU  20   4.426  -0.414  -3.457
  168   HD22  LEU  20          HD22      LEU  20   2.954  -0.900  -4.298
  169   HD23  LEU  20          HD23      LEU  20   3.975  -2.118  -3.536
  170    H    GLU  21           HN       GLU  21   3.424  -2.961   1.190
  171    HA   GLU  21           HA       GLU  21   5.305  -1.946   2.993
  172    HB2  GLU  21           HB2      GLU  21   2.801  -2.723   3.322
  173    HB3  GLU  21           HB1      GLU  21   3.565  -4.223   3.830
  174    HG2  GLU  21           HG2      GLU  21   4.861  -2.959   5.501
  175    HG3  GLU  21           HG1      GLU  21   4.001  -1.496   5.020
  176    H    ASN  22           HN       ASN  22   4.931  -5.231   1.710
  177    HA   ASN  22           HA       ASN  22   7.001  -6.347   3.322
  178    HB2  ASN  22           HB2      ASN  22   5.575  -7.269   0.845
  179    HB3  ASN  22           HB1      ASN  22   6.977  -8.147   1.449
  180   HD21  ASN  22          HD21      ASN  22   5.721  -9.966   1.880
  181   HD22  ASN  22          HD22      ASN  22   4.637 -10.030   3.225
  182    H    GLU  23           HN       GLU  23   6.900  -4.780   0.169
  183    HA   GLU  23           HA       GLU  23   9.597  -5.388  -0.523
  184    HB2  GLU  23           HB2      GLU  23   7.470  -3.653  -1.576
  185    HB3  GLU  23           HB1      GLU  23   9.099  -3.053  -1.851
  186    HG2  GLU  23           HG2      GLU  23   8.357  -4.360  -3.736
  187    HG3  GLU  23           HG1      GLU  23   9.695  -5.167  -2.927
  188    H    VAL  24           HN       VAL  24   8.063  -2.651   1.128
  189    HA   VAL  24           HA       VAL  24  10.325  -1.029   1.416
  190    HB   VAL  24           HB       VAL  24   8.114  -1.347   3.465
  191   HG11  VAL  24          HG11      VAL  24  10.050  -0.143   4.308
  192   HG12  VAL  24          HG12      VAL  24   8.689   0.956   4.082
  193   HG13  VAL  24          HG13      VAL  24  10.007   0.933   2.910
  194   HG21  VAL  24          HG21      VAL  24   7.011   0.526   2.354
  195   HG22  VAL  24          HG22      VAL  24   7.177  -0.852   1.265
  196   HG23  VAL  24          HG23      VAL  24   8.260   0.530   1.109
  197    H    ALA  25           HN       ALA  25   9.041  -3.568   3.536
  198    HA   ALA  25           HA       ALA  25  10.971  -3.365   5.560
  199    HB1  ALA  25           HB1      ALA  25   8.860  -4.568   5.842
  200    HB2  ALA  25           HB2      ALA  25  10.234  -5.600   6.240
  201    HB3  ALA  25           HB3      ALA  25   9.399  -5.796   4.698
  202    H    ARG  26           HN       ARG  26  10.885  -5.320   2.614
  203    HA   ARG  26           HA       ARG  26  13.227  -6.807   3.105
  204    HB2  ARG  26           HB2      ARG  26  11.464  -7.311   1.381
  205    HB3  ARG  26           HB1      ARG  26  12.106  -5.995   0.412
  206    HG2  ARG  26           HG2      ARG  26  13.890  -8.232   1.280
  207    HG3  ARG  26           HG1      ARG  26  12.814  -8.429  -0.102
  208    HD2  ARG  26           HD2      ARG  26  13.829  -6.477  -1.167
  209    HD3  ARG  26           HD1      ARG  26  14.896  -6.271   0.221
  210    HE   ARG  26           HE       ARG  26  15.494  -8.756  -0.517
  211   HH11  ARG  26          HH11      ARG  26  15.073  -5.875  -2.447
  212   HH12  ARG  26          HH12      ARG  26  16.240  -6.339  -3.641
  213   HH21  ARG  26          HH21      ARG  26  17.028  -9.394  -2.100
  214   HH22  ARG  26          HH22      ARG  26  17.345  -8.349  -3.448
  215    H    LEU  27           HN       LEU  27  12.706  -3.853   1.181
  216    HA   LEU  27           HA       LEU  27  15.397  -3.416   0.498
  217    HB2  LEU  27           HB2      LEU  27  12.938  -1.749   0.594
  218    HB3  LEU  27           HB1      LEU  27  14.470  -0.923   0.520
  219    HG   LEU  27           HG       LEU  27  14.974  -1.761  -1.616
  220   HD11  LEU  27          HD11      LEU  27  13.684  -3.488  -2.752
  221   HD12  LEU  27          HD12      LEU  27  12.667  -3.680  -1.323
  222   HD13  LEU  27          HD13      LEU  27  14.379  -4.101  -1.252
  223   HD21  LEU  27          HD21      LEU  27  13.303  -0.019  -1.661
  224   HD22  LEU  27          HD22      LEU  27  12.019  -1.217  -1.510
  225   HD23  LEU  27          HD23      LEU  27  13.016  -1.172  -2.964
  226    H    LYS  28           HN       LYS  28  13.508  -2.482   3.307
  227    HA   LYS  28           HA       LYS  28  15.324  -0.643   4.409
  228    HB2  LYS  28           HB2      LYS  28  12.962  -0.854   5.098
  229    HB3  LYS  28           HB1      LYS  28  13.325  -2.401   5.841
  230    HG2  LYS  28           HG2      LYS  28  13.212  -0.776   7.566
  231    HG3  LYS  28           HG1      LYS  28  14.904  -1.219   7.366
  232    HD2  LYS  28           HD2      LYS  28  13.905   1.118   5.829
  233    HD3  LYS  28           HD1      LYS  28  14.096   1.312   7.571
  234    HE2  LYS  28           HE2      LYS  28  16.236   0.442   5.629
  235    HE3  LYS  28           HE1      LYS  28  16.097   2.029   6.378
  236    HZ1  LYS  28           HZ1      LYS  28  17.724   0.697   7.526
  237    HZ2  LYS  28           HZ2      LYS  28  16.596  -0.535   7.794
  238    HZ3  LYS  28           HZ3      LYS  28  16.401   0.969   8.548
  239    H    LYS  29           HN       LYS  29  15.244  -4.129   4.433
  240    HA   LYS  29           HA       LYS  29  17.129  -4.473   6.556
  241    HB2  LYS  29           HB2      LYS  29  16.353  -6.347   4.312
  242    HB3  LYS  29           HB1      LYS  29  17.308  -6.793   5.718
  243    HG2  LYS  29           HG2      LYS  29  15.415  -6.254   7.170
  244    HG3  LYS  29           HG1      LYS  29  14.455  -5.830   5.747
  245    HD2  LYS  29           HD2      LYS  29  14.738  -8.134   4.907
  246    HD3  LYS  29           HD1      LYS  29  15.629  -8.538   6.382
  247    HE2  LYS  29           HE2      LYS  29  12.762  -7.607   6.231
  248    HE3  LYS  29           HE1      LYS  29  13.303  -9.255   6.538
  249    HZ1  LYS  29           HZ1      LYS  29  14.367  -8.484   8.572
  250    HZ2  LYS  29           HZ2      LYS  29  12.711  -8.139   8.587
  251    HZ3  LYS  29           HZ3      LYS  29  13.825  -6.908   8.279
  252    H    LEU  30           HN       LEU  30  17.319  -4.137   3.075
  253    HA   LEU  30           HA       LEU  30  20.129  -4.628   2.905
  254    HB2  LEU  30           HB2      LEU  30  18.096  -3.475   1.018
  255    HB3  LEU  30           HB1      LEU  30  19.806  -3.404   0.638
  256    HG   LEU  30           HG       LEU  30  19.897  -5.889   0.792
  257   HD11  LEU  30          HD11      LEU  30  17.799  -7.148   0.726
  258   HD12  LEU  30          HD12      LEU  30  16.904  -5.656   1.018
  259   HD13  LEU  30          HD13      LEU  30  18.003  -6.282   2.248
  260   HD21  LEU  30          HD21      LEU  30  19.668  -4.785  -1.359
  261   HD22  LEU  30          HD22      LEU  30  17.913  -4.763  -1.174
  262   HD23  LEU  30          HD23      LEU  30  18.764  -6.299  -1.336
  263    H    VAL  31           HN       VAL  31  18.068  -1.785   3.164
  264    HA   VAL  31           HA       VAL  31  20.380  -0.036   3.471
  265    HB   VAL  31           HB       VAL  31  17.480   0.699   3.924
  266   HG11  VAL  31          HG11      VAL  31  19.882   2.362   3.172
  267   HG12  VAL  31          HG12      VAL  31  19.107   2.311   4.754
  268   HG13  VAL  31          HG13      VAL  31  18.236   2.961   3.366
  269   HG21  VAL  31          HG21      VAL  31  17.659  -0.268   1.702
  270   HG22  VAL  31          HG22      VAL  31  19.021   0.792   1.333
  271   HG23  VAL  31          HG23      VAL  31  17.417   1.476   1.598
  272    H    GLY  32           HN       GLY  32  19.782  -2.310   5.247
  273    HA2  GLY  32           HA2      GLY  32  19.525  -0.867   7.807
  274    HA3  GLY  32           HA1      GLY  32  19.044  -2.545   7.565
  275    H    GLU  33           HN       GLU  33  21.226  -3.394   6.049
  276    HA   GLU  33           HA       GLU  33  23.267  -3.624   8.082
  277    HB2  GLU  33           HB2      GLU  33  22.592  -5.585   6.731
  278    HB3  GLU  33           HB1      GLU  33  23.152  -4.767   5.280
  279    HG2  GLU  33           HG2      GLU  33  25.432  -4.710   6.270
  280    HG3  GLU  33           HG1      GLU  33  24.824  -5.689   7.603
  281    H1   GLY   1           HT1      GLY   1 -24.523   6.772   5.452
  282    H2   GLY   1           HT2      GLY   1 -22.899   6.406   5.145
  283    H3   GLY   1           HT3      GLY   1 -23.809   5.425   6.177
  284    HA2  GLY   1           HA1      GLY   1 -25.227   4.747   4.357
  285    HA3  GLY   1           HA2      GLY   1 -24.296   5.776   3.278
  286    H    SER   2           HN       SER   2 -23.284   4.381   1.959
  287    HA   SER   2           HA       SER   2 -21.449   2.470   3.207
  288    HB2  SER   2           HB2      SER   2 -22.047   0.922   1.205
  289    HB3  SER   2           HB1      SER   2 -23.151   0.989   2.581
  290    HG   SER   2           HG       SER   2 -23.454   1.996  -0.013
  291    H    MET   3           HN       MET   3 -22.316   4.463   0.465
  292    HA   MET   3           HA       MET   3 -20.317   3.734  -1.323
  293    HB2  MET   3           HB2      MET   3 -22.244   5.094  -1.957
  294    HB3  MET   3           HB1      MET   3 -21.653   6.420  -0.972
  295    HG2  MET   3           HG2      MET   3 -20.954   7.118  -3.014
  296    HG3  MET   3           HG1      MET   3 -19.540   6.194  -2.521
  297    HE1  MET   3           HE1      MET   3 -19.719   2.997  -4.681
  298    HE2  MET   3           HE2      MET   3 -20.455   3.070  -3.082
  299    HE3  MET   3           HE3      MET   3 -18.912   3.871  -3.378
  300    H    LYS   4           HN       LYS   4 -20.294   6.585   0.846
  301    HA   LYS   4           HA       LYS   4 -17.485   6.980   0.235
  302    HB2  LYS   4           HB2      LYS   4 -17.645   9.041   1.488
  303    HB3  LYS   4           HB1      LYS   4 -19.000   8.926   0.376
  304    HG2  LYS   4           HG2      LYS   4 -20.506   8.407   2.125
  305    HG3  LYS   4           HG1      LYS   4 -19.190   8.156   3.272
  306    HD2  LYS   4           HD2      LYS   4 -20.164  10.290   3.730
  307    HD3  LYS   4           HD1      LYS   4 -18.589  10.565   2.988
  308    HE2  LYS   4           HE2      LYS   4 -20.187  12.089   2.039
  309    HE3  LYS   4           HE1      LYS   4 -19.721  10.909   0.817
  310    HZ1  LYS   4           HZ1      LYS   4 -22.200  10.789   2.447
  311    HZ2  LYS   4           HZ2      LYS   4 -21.762   9.712   1.219
  312    HZ3  LYS   4           HZ3      LYS   4 -22.111  11.323   0.844
  313    H    GLN   5           HN       GLN   5 -19.124   5.102   2.373
  314    HA   GLN   5           HA       GLN   5 -17.386   5.459   4.665
  315    HB2  GLN   5           HB2      GLN   5 -19.818   3.849   4.067
  316    HB3  GLN   5           HB1      GLN   5 -18.714   3.209   5.274
  317    HG2  GLN   5           HG2      GLN   5 -20.553   4.524   6.234
  318    HG3  GLN   5           HG1      GLN   5 -18.963   5.172   6.626
  319   HE21  GLN   5          HE21      GLN   5 -18.368   7.160   5.850
  320   HE22  GLN   5          HE22      GLN   5 -19.479   8.239   5.082
  321    H    LEU   6           HN       LEU   6 -18.158   2.962   2.293
  322    HA   LEU   6           HA       LEU   6 -15.971   1.280   2.925
  323    HB2  LEU   6           HB2      LEU   6 -17.841   1.548   0.605
  324    HB3  LEU   6           HB1      LEU   6 -16.400   0.576   0.420
  325    HG   LEU   6           HG       LEU   6 -18.468  -0.712   0.975
  326   HD11  LEU   6          HD11      LEU   6 -17.406  -2.200   2.526
  327   HD12  LEU   6          HD12      LEU   6 -16.306  -0.934   3.062
  328   HD13  LEU   6          HD13      LEU   6 -16.188  -1.566   1.421
  329   HD21  LEU   6          HD21      LEU   6 -19.496   0.877   2.516
  330   HD22  LEU   6          HD22      LEU   6 -18.184   0.620   3.666
  331   HD23  LEU   6          HD23      LEU   6 -19.283  -0.702   3.273
  332    H    GLU   7           HN       GLU   7 -16.531   3.816   0.521
  333    HA   GLU   7           HA       GLU   7 -14.010   3.741  -0.696
  334    HB2  GLU   7           HB2      GLU   7 -15.958   4.985  -1.587
  335    HB3  GLU   7           HB1      GLU   7 -15.776   6.157  -0.290
  336    HG2  GLU   7           HG2      GLU   7 -13.577   6.770  -1.134
  337    HG3  GLU   7           HG1      GLU   7 -13.732   5.574  -2.419
  338    H    ASP   8           HN       ASP   8 -15.118   5.332   2.275
  339    HA   ASP   8           HA       ASP   8 -12.832   6.877   2.776
  340    HB2  ASP   8           HB2      ASP   8 -14.984   5.753   4.437
  341    HB3  ASP   8           HB1      ASP   8 -13.471   6.028   5.295
  342    H    LYS   9           HN       LYS   9 -13.474   3.478   3.462
  343    HA   LYS   9           HA       LYS   9 -11.001   3.005   4.780
  344    HB2  LYS   9           HB2      LYS   9 -12.937   1.572   5.158
  345    HB3  LYS   9           HB1      LYS   9 -12.942   1.091   3.469
  346    HG2  LYS   9           HG2      LYS   9 -10.809  -0.026   3.754
  347    HG3  LYS   9           HG1      LYS   9 -10.737   0.504   5.435
  348    HD2  LYS   9           HD2      LYS   9 -12.925  -1.233   4.300
  349    HD3  LYS   9           HD1      LYS   9 -11.500  -1.853   5.132
  350    HE2  LYS   9           HE2      LYS   9 -12.142  -0.494   7.114
  351    HE3  LYS   9           HE1      LYS   9 -13.625  -0.044   6.274
  352    HZ1  LYS   9           HZ1      LYS   9 -13.964  -1.891   7.804
  353    HZ2  LYS   9           HZ2      LYS   9 -12.824  -2.817   6.970
  354    HZ3  LYS   9           HZ3      LYS   9 -14.261  -2.360   6.208
  355    H    VAL  10           HN       VAL  10 -12.124   2.628   1.448
  356    HA   VAL  10           HA       VAL  10  -9.867   1.339   0.386
  357    HB   VAL  10           HB       VAL  10 -11.444   3.413  -1.127
  358   HG11  VAL  10          HG11      VAL  10  -9.484   2.498  -2.243
  359   HG12  VAL  10          HG12      VAL  10 -10.968   1.982  -3.043
  360   HG13  VAL  10          HG13      VAL  10 -10.101   0.863  -1.989
  361   HG21  VAL  10          HG21      VAL  10 -12.911   1.729   0.113
  362   HG22  VAL  10          HG22      VAL  10 -12.249   0.538  -1.010
  363   HG23  VAL  10          HG23      VAL  10 -13.156   1.916  -1.622
  364    H    GLU  11           HN       GLU  11 -10.654   4.791   0.639
  365    HA   GLU  11           HA       GLU  11  -8.299   5.778  -0.559
  366    HB2  GLU  11           HB2      GLU  11 -10.259   7.172  -0.347
  367    HB3  GLU  11           HB1      GLU  11 -10.252   7.015   1.402
  368    HG2  GLU  11           HG2      GLU  11  -9.467   9.185   0.857
  369    HG3  GLU  11           HG1      GLU  11  -8.093   8.250   1.438
  370    H    GLU  12           HN       GLU  12  -9.018   4.813   2.750
  371    HA   GLU  12           HA       GLU  12  -6.729   5.947   3.962
  372    HB2  GLU  12           HB2      GLU  12  -8.463   3.604   4.744
  373    HB3  GLU  12           HB1      GLU  12  -7.122   4.169   5.730
  374    HG2  GLU  12           HG2      GLU  12  -8.177   6.346   5.948
  375    HG3  GLU  12           HG1      GLU  12  -9.511   5.812   4.928
  376    H    LEU  13           HN       LEU  13  -7.365   2.755   2.550
  377    HA   LEU  13           HA       LEU  13  -4.708   1.804   2.934
  378    HB2  LEU  13           HB2      LEU  13  -6.813   0.948   0.949
  379    HB3  LEU  13           HB1      LEU  13  -5.309   0.096   1.241
  380    HG   LEU  13           HG       LEU  13  -7.605   0.440   3.164
  381   HD11  LEU  13          HD11      LEU  13  -6.368  -1.999   1.904
  382   HD12  LEU  13          HD12      LEU  13  -7.891  -1.253   1.424
  383   HD13  LEU  13          HD13      LEU  13  -7.730  -1.976   3.025
  384   HD21  LEU  13          HD21      LEU  13  -5.541   0.631   4.411
  385   HD22  LEU  13          HD22      LEU  13  -4.893  -0.802   3.613
  386   HD23  LEU  13          HD23      LEU  13  -6.269  -0.947   4.706
  387    H    LEU  14           HN       LEU  14  -6.331   3.668   0.481
  388    HA   LEU  14           HA       LEU  14  -4.348   3.621  -1.518
  389    HB2  LEU  14           HB2      LEU  14  -6.783   4.603  -1.485
  390    HB3  LEU  14           HB1      LEU  14  -5.984   6.059  -0.933
  391    HG   LEU  14           HG       LEU  14  -4.534   5.931  -3.002
  392   HD11  LEU  14          HD11      LEU  14  -4.925   3.577  -3.530
  393   HD12  LEU  14          HD12      LEU  14  -5.391   4.626  -4.871
  394   HD13  LEU  14          HD13      LEU  14  -6.631   3.934  -3.824
  395   HD21  LEU  14          HD21      LEU  14  -6.392   7.499  -2.786
  396   HD22  LEU  14          HD22      LEU  14  -7.506   6.265  -3.379
  397   HD23  LEU  14          HD23      LEU  14  -6.249   6.903  -4.440
  398    H    SER  15           HN       SER  15  -4.697   5.364   1.450
  399    HA   SER  15           HA       SER  15  -2.668   7.303   0.955
  400    HB2  SER  15           HB2      SER  15  -3.897   6.419   3.579
  401    HB3  SER  15           HB1      SER  15  -2.949   7.884   3.316
  402    HG   SER  15           HG       SER  15  -5.459   7.240   2.134
  403    H    LYS  16           HN       LYS  16  -2.838   4.195   2.680
  404    HA   LYS  16           HA       LYS  16  -0.091   4.245   3.405
  405    HB2  LYS  16           HB2      LYS  16  -1.944   1.870   3.092
  406    HB3  LYS  16           HB1      LYS  16  -0.319   1.801   3.763
  407    HG2  LYS  16           HG2      LYS  16  -1.154   3.539   5.450
  408    HG3  LYS  16           HG1      LYS  16  -2.769   3.093   4.905
  409    HD2  LYS  16           HD2      LYS  16  -0.715   1.190   6.030
  410    HD3  LYS  16           HD1      LYS  16  -2.078   1.859   6.921
  411    HE2  LYS  16           HE2      LYS  16  -3.604   0.786   5.283
  412    HE3  LYS  16           HE1      LYS  16  -2.203   0.030   4.521
  413    HZ1  LYS  16           HZ1      LYS  16  -3.238  -1.486   6.054
  414    HZ2  LYS  16           HZ2      LYS  16  -3.104  -0.377   7.321
  415    HZ3  LYS  16           HZ3      LYS  16  -1.713  -1.054   6.639
  416    H    ASN  17           HN       ASN  17  -1.879   3.118   0.587
  417    HA   ASN  17           HA       ASN  17   0.240   1.920  -0.805
  418    HB2  ASN  17           HB2      ASN  17  -2.342   3.172  -1.570
  419    HB3  ASN  17           HB1      ASN  17  -1.129   3.044  -2.840
  420   HD21  ASN  17          HD21      ASN  17  -3.253   1.324  -0.726
  421   HD22  ASN  17          HD22      ASN  17  -3.068  -0.226  -1.474
  422    H    TYR  18           HN       TYR  18  -0.738   5.294  -0.446
  423    HA   TYR  18           HA       TYR  18   1.216   6.380  -2.180
  424    HB2  TYR  18           HB2      TYR  18  -0.649   7.726  -1.386
  425    HB3  TYR  18           HB1      TYR  18  -0.092   7.571   0.276
  426    HD1  TYR  18           HD1      TYR  18   1.539   9.045   1.156
  427    HD2  TYR  18           HD2      TYR  18   0.742   9.040  -3.021
  428    HE1  TYR  18           HE1      TYR  18   2.873  11.093   0.906
  429    HE2  TYR  18           HE2      TYR  18   2.077  11.087  -3.284
  430    HH   TYR  18           HH       TYR  18   2.812  12.989  -1.904
  431    H    HIS  19           HN       HIS  19   1.246   5.833   1.333
  432    HA   HIS  19           HA       HIS  19   3.836   6.858   1.776
  433    HB2  HIS  19           HB2      HIS  19   2.056   5.027   3.362
  434    HB3  HIS  19           HB1      HIS  19   3.681   5.414   3.913
  435    HD1  HIS  19           HD1      HIS  19   3.529   7.125   5.681
  436    HD2  HIS  19           HD2      HIS  19   0.764   7.800   2.651
  437    HE1  HIS  19           HE1      HIS  19   2.324   9.238   6.320
  438    HE2  HIS  19           HE2      HIS  19   0.563   9.544   4.547
  439    H    LEU  20           HN       LEU  20   2.747   3.474   1.538
  440    HA   LEU  20           HA       LEU  20   5.245   2.272   1.916
  441    HB2  LEU  20           HB2      LEU  20   3.028   1.215   0.173
  442    HB3  LEU  20           HB1      LEU  20   4.277   0.270   0.944
  443    HG   LEU  20           HG       LEU  20   1.945   1.632   2.192
  444   HD11  LEU  20          HD11      LEU  20   1.429  -0.630   2.996
  445   HD12  LEU  20          HD12      LEU  20   2.807  -1.231   2.072
  446   HD13  LEU  20          HD13      LEU  20   1.440  -0.492   1.238
  447   HD21  LEU  20          HD21      LEU  20   4.273   0.338   3.595
  448   HD22  LEU  20          HD22      LEU  20   2.771   0.836   4.373
  449   HD23  LEU  20          HD23      LEU  20   3.832   2.045   3.653
  450    H    GLU  21           HN       GLU  21   3.480   2.886  -1.091
  451    HA   GLU  21           HA       GLU  21   5.428   1.858  -2.815
  452    HB2  GLU  21           HB2      GLU  21   2.947   2.651  -3.247
  453    HB3  GLU  21           HB1      GLU  21   3.739   4.148  -3.722
  454    HG2  GLU  21           HG2      GLU  21   5.098   2.879  -5.340
  455    HG3  GLU  21           HG1      GLU  21   4.210   1.421  -4.895
  456    H    ASN  22           HN       ASN  22   5.024   5.141  -1.551
  457    HA   ASN  22           HA       ASN  22   7.164   6.243  -3.077
  458    HB2  ASN  22           HB2      ASN  22   5.647   7.179  -0.660
  459    HB3  ASN  22           HB1      ASN  22   7.078   8.045  -1.208
  460   HD21  ASN  22          HD21      ASN  22   5.868   9.875  -1.693
  461   HD22  ASN  22          HD22      ASN  22   4.831   9.950  -3.075
  462    H    GLU  23           HN       GLU  23   6.927   4.678   0.068
  463    HA   GLU  23           HA       GLU  23   9.599   5.271   0.868
  464    HB2  GLU  23           HB2      GLU  23   7.418   3.552   1.835
  465    HB3  GLU  23           HB1      GLU  23   9.029   2.940   2.177
  466    HG2  GLU  23           HG2      GLU  23   8.215   4.254   4.030
  467    HG3  GLU  23           HG1      GLU  23   9.595   5.049   3.278
  468    H    VAL  24           HN       VAL  24   8.111   2.545  -0.841
  469    HA   VAL  24           HA       VAL  24  10.372   0.907  -1.037
  470    HB   VAL  24           HB       VAL  24   8.248   1.239  -3.175
  471   HG11  VAL  24          HG11      VAL  24  10.207   0.017  -3.937
  472   HG12  VAL  24          HG12      VAL  24   8.828  -1.070  -3.763
  473   HG13  VAL  24          HG13      VAL  24  10.099  -1.054  -2.540
  474   HG21  VAL  24          HG21      VAL  24   7.087  -0.624  -2.111
  475   HG22  VAL  24          HG22      VAL  24   7.216   0.753  -1.016
  476   HG23  VAL  24          HG23      VAL  24   8.283  -0.638  -0.815
  477    H    ALA  25           HN       ALA  25   9.188   3.447  -3.217
  478    HA   ALA  25           HA       ALA  25  11.196   3.233  -5.159
  479    HB1  ALA  25           HB1      ALA  25   9.105   4.458  -5.518
  480    HB2  ALA  25           HB2      ALA  25  10.506   5.475  -5.865
  481    HB3  ALA  25           HB3      ALA  25   9.618   5.680  -4.354
  482    H    ARG  26           HN       ARG  26  11.014   5.191  -2.220
  483    HA   ARG  26           HA       ARG  26  13.385   6.656  -2.616
  484    HB2  ARG  26           HB2      ARG  26  11.559   7.180  -0.963
  485    HB3  ARG  26           HB1      ARG  26  12.150   5.859   0.030
  486    HG2  ARG  26           HG2      ARG  26  13.984   8.081  -0.766
  487    HG3  ARG  26           HG1      ARG  26  12.857   8.284   0.573
  488    HD2  ARG  26           HD2      ARG  26  13.813   6.319   1.672
  489    HD3  ARG  26           HD1      ARG  26  14.935   6.112   0.328
  490    HE   ARG  26           HE       ARG  26  15.516   8.592   1.097
  491   HH11  ARG  26          HH11      ARG  26  15.001   5.712   3.010
  492   HH12  ARG  26          HH12      ARG  26  16.120   6.173   4.250
  493   HH21  ARG  26          HH21      ARG  26  16.981   9.222   2.743
  494   HH22  ARG  26          HH22      ARG  26  17.243   8.175   4.101
  495    H    LEU  27           HN       LEU  27  12.763   3.710  -0.711
  496    HA   LEU  27           HA       LEU  27  15.421   3.255   0.082
  497    HB2  LEU  27           HB2      LEU  27  12.957   1.605  -0.114
  498    HB3  LEU  27           HB1      LEU  27  14.479   0.769   0.025
  499    HG   LEU  27           HG       LEU  27  14.900   1.606   2.181
  500   HD11  LEU  27          HD11      LEU  27  13.576   3.342   3.262
  501   HD12  LEU  27          HD12      LEU  27  12.619   3.538   1.793
  502   HD13  LEU  27          HD13      LEU  27  14.333   3.951   1.790
  503   HD21  LEU  27          HD21      LEU  27  13.217  -0.126   2.153
  504   HD22  LEU  27          HD22      LEU  27  11.946   1.080   1.952
  505   HD23  LEU  27          HD23      LEU  27  12.885   1.029   3.445
  506    H    LYS  28           HN       LYS  28  13.639   2.321  -2.798
  507    HA   LYS  28           HA       LYS  28  15.489   0.477  -3.828
  508    HB2  LYS  28           HB2      LYS  28  13.155   0.705  -4.609
  509    HB3  LYS  28           HB1      LYS  28  13.560   2.250  -5.338
  510    HG2  LYS  28           HG2      LYS  28  13.502   0.627  -7.065
  511    HG3  LYS  28           HG1      LYS  28  15.189   1.053  -6.798
  512    HD2  LYS  28           HD2      LYS  28  14.107  -1.274  -5.303
  513    HD3  LYS  28           HD1      LYS  28  14.367  -1.470  -7.035
  514    HE2  LYS  28           HE2      LYS  28  16.432  -0.618  -5.007
  515    HE3  LYS  28           HE1      LYS  28  16.311  -2.205  -5.759
  516    HZ1  LYS  28           HZ1      LYS  28  17.995  -0.890  -6.837
  517    HZ2  LYS  28           HZ2      LYS  28  16.894   0.355  -7.149
  518    HZ3  LYS  28           HZ3      LYS  28  16.715  -1.143  -7.913
  519    H    LYS  29           HN       LYS  29  15.432   3.964  -3.847
  520    HA   LYS  29           HA       LYS  29  17.399   4.294  -5.896
  521    HB2  LYS  29           HB2      LYS  29  16.551   6.173  -3.685
  522    HB3  LYS  29           HB1      LYS  29  17.567   6.611  -5.051
  523    HG2  LYS  29           HG2      LYS  29  15.732   6.086  -6.581
  524    HG3  LYS  29           HG1      LYS  29  14.709   5.673  -5.200
  525    HD2  LYS  29           HD2      LYS  29  14.978   7.977  -4.353
  526    HD3  LYS  29           HD1      LYS  29  15.932   8.369  -5.793
  527    HE2  LYS  29           HE2      LYS  29  13.051   7.462  -5.752
  528    HE3  LYS  29           HE1      LYS  29  13.616   9.106  -6.041
  529    HZ1  LYS  29           HZ1      LYS  29  14.748   8.319  -8.032
  530    HZ2  LYS  29           HZ2      LYS  29  13.093   7.986  -8.108
  531    HZ3  LYS  29           HZ3      LYS  29  14.188   6.749  -7.755
  532    H    LEU  30           HN       LEU  30  17.450   3.961  -2.415
  533    HA   LEU  30           HA       LEU  30  20.255   4.426  -2.129
  534    HB2  LEU  30           HB2      LEU  30  18.136   3.290  -0.330
  535    HB3  LEU  30           HB1      LEU  30  19.827   3.209   0.121
  536    HG   LEU  30           HG       LEU  30  19.944   5.693  -0.033
  537   HD11  LEU  30          HD11      LEU  30  17.857   6.971  -0.053
  538   HD12  LEU  30          HD12      LEU  30  16.960   5.488  -0.378
  539   HD13  LEU  30          HD13      LEU  30  18.113   6.098  -1.564
  540   HD21  LEU  30          HD21      LEU  30  19.623   4.592   2.107
  541   HD22  LEU  30          HD22      LEU  30  17.878   4.584   1.857
  542   HD23  LEU  30          HD23      LEU  30  18.732   6.114   2.049
  543    H    VAL  31           HN       VAL  31  18.183   1.603  -2.475
  544    HA   VAL  31           HA       VAL  31  20.491  -0.168  -2.687
  545    HB   VAL  31           HB       VAL  31  17.603  -0.877  -3.255
  546   HG11  VAL  31          HG11      VAL  31  19.959  -2.560  -2.406
  547   HG12  VAL  31          HG12      VAL  31  19.248  -2.505  -4.018
  548   HG13  VAL  31          HG13      VAL  31  18.316  -3.145  -2.665
  549   HG21  VAL  31          HG21      VAL  31  17.706   0.088  -1.027
  550   HG22  VAL  31          HG22      VAL  31  19.042  -0.984  -0.606
  551   HG23  VAL  31          HG23      VAL  31  17.444  -1.654  -0.934
  552    H    GLY  32           HN       GLY  32  19.990   2.109  -4.483
  553    HA2  GLY  32           HA2      GLY  32  19.823   0.673  -7.055
  554    HA3  GLY  32           HA1      GLY  32  19.334   2.350  -6.828
  555    H    GLU  33           HN       GLU  33  21.470   3.179  -5.217
  556    HA   GLU  33           HA       GLU  33  23.578   3.417  -7.179
  557    HB2  GLU  33           HB2      GLU  33  22.877   5.363  -5.832
  558    HB3  GLU  33           HB1      GLU  33  23.377   4.526  -4.369
  559    HG2  GLU  33           HG2      GLU  33  25.689   4.457  -5.274
  560    HG3  GLU  33           HG1      GLU  33  25.138   5.446  -6.624
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1 -27.013  -5.569  -4.581
    2    H2   GLY   1           HT2      GLY   1 -25.738  -5.411  -5.680
    3    H3   GLY   1           HT3      GLY   1 -26.406  -4.037  -4.961
    4    HA2  GLY   1           HA1      GLY   1 -25.623  -4.741  -2.797
    5    HA3  GLY   1           HA2      GLY   1 -24.937  -6.182  -3.537
    6    H    SER   2           HN       SER   2 -23.733  -3.840  -2.076
    7    HA   SER   2           HA       SER   2 -21.742  -3.158  -4.134
    8    HB2  SER   2           HB2      SER   2 -21.476  -0.975  -2.867
    9    HB3  SER   2           HB1      SER   2 -22.992  -1.160  -3.748
   10    HG   SER   2           HG       SER   2 -23.674  -0.539  -1.802
   11    H    MET   3           HN       MET   3 -22.326  -4.622  -1.182
   12    HA   MET   3           HA       MET   3 -20.218  -3.775   0.443
   13    HB2  MET   3           HB2      MET   3 -21.504  -6.506   0.373
   14    HB3  MET   3           HB1      MET   3 -20.547  -5.857   1.691
   15    HG2  MET   3           HG2      MET   3 -23.152  -4.694   0.738
   16    HG3  MET   3           HG1      MET   3 -22.987  -5.815   2.085
   17    HE1  MET   3           HE1      MET   3 -22.036  -1.336   2.055
   18    HE2  MET   3           HE2      MET   3 -23.170  -2.198   1.019
   19    HE3  MET   3           HE3      MET   3 -21.436  -2.376   0.765
   20    H    LYS   4           HN       LYS   4 -20.384  -6.670  -1.621
   21    HA   LYS   4           HA       LYS   4 -17.698  -7.426  -1.023
   22    HB2  LYS   4           HB2      LYS   4 -19.493  -8.401  -3.251
   23    HB3  LYS   4           HB1      LYS   4 -18.020  -9.180  -2.696
   24    HG2  LYS   4           HG2      LYS   4 -19.101  -9.482  -0.472
   25    HG3  LYS   4           HG1      LYS   4 -20.592  -8.855  -1.170
   26    HD2  LYS   4           HD2      LYS   4 -20.905 -11.128  -1.395
   27    HD3  LYS   4           HD1      LYS   4 -20.204 -10.718  -2.959
   28    HE2  LYS   4           HE2      LYS   4 -18.670 -11.805  -0.596
   29    HE3  LYS   4           HE1      LYS   4 -19.231 -12.762  -1.961
   30    HZ1  LYS   4           HZ1      LYS   4 -17.236 -10.566  -2.040
   31    HZ2  LYS   4           HZ2      LYS   4 -17.841 -11.352  -3.406
   32    HZ3  LYS   4           HZ3      LYS   4 -16.941 -12.214  -2.268
   33    H    GLN   5           HN       GLN   5 -19.054  -5.253  -3.237
   34    HA   GLN   5           HA       GLN   5 -17.006  -5.578  -5.262
   35    HB2  GLN   5           HB2      GLN   5 -19.371  -3.703  -5.087
   36    HB3  GLN   5           HB1      GLN   5 -18.264  -3.785  -6.449
   37    HG2  GLN   5           HG2      GLN   5 -18.924  -6.085  -6.870
   38    HG3  GLN   5           HG1      GLN   5 -20.004  -6.040  -5.477
   39   HE21  GLN   5          HE21      GLN   5 -21.799  -6.488  -6.741
   40   HE22  GLN   5          HE22      GLN   5 -22.496  -5.316  -7.801
   41    H    LEU   6           HN       LEU   6 -18.203  -3.092  -3.039
   42    HA   LEU   6           HA       LEU   6 -16.075  -1.285  -3.490
   43    HB2  LEU   6           HB2      LEU   6 -18.137  -1.641  -1.358
   44    HB3  LEU   6           HB1      LEU   6 -16.769  -0.604  -1.027
   45    HG   LEU   6           HG       LEU   6 -18.833   0.583  -1.803
   46   HD11  LEU   6          HD11      LEU   6 -16.457   0.919  -3.627
   47   HD12  LEU   6          HD12      LEU   6 -16.571   1.561  -1.990
   48   HD13  LEU   6          HD13      LEU   6 -17.682   2.125  -3.237
   49   HD21  LEU   6          HD21      LEU   6 -18.169  -0.665  -4.465
   50   HD22  LEU   6          HD22      LEU   6 -19.430   0.526  -4.144
   51   HD23  LEU   6          HD23      LEU   6 -19.549  -1.094  -3.457
   52    H    GLU   7           HN       GLU   7 -16.646  -3.858  -1.115
   53    HA   GLU   7           HA       GLU   7 -14.186  -3.561   0.234
   54    HB2  GLU   7           HB2      GLU   7 -16.144  -4.855   1.084
   55    HB3  GLU   7           HB1      GLU   7 -15.781  -6.104  -0.099
   56    HG2  GLU   7           HG2      GLU   7 -13.658  -6.541   0.945
   57    HG3  GLU   7           HG1      GLU   7 -13.895  -5.202   2.066
   58    H    ASP   8           HN       ASP   8 -15.065  -5.260  -2.748
   59    HA   ASP   8           HA       ASP   8 -12.700  -6.718  -3.124
   60    HB2  ASP   8           HB2      ASP   8 -14.811  -5.679  -4.877
   61    HB3  ASP   8           HB1      ASP   8 -13.244  -5.815  -5.668
   62    H    LYS   9           HN       LYS   9 -13.416  -3.338  -3.815
   63    HA   LYS   9           HA       LYS   9 -10.929  -2.734  -5.032
   64    HB2  LYS   9           HB2      LYS   9 -12.922  -0.910  -3.673
   65    HB3  LYS   9           HB1      LYS   9 -11.598  -0.378  -4.700
   66    HG2  LYS   9           HG2      LYS   9 -12.576  -1.457  -6.612
   67    HG3  LYS   9           HG1      LYS   9 -13.843  -2.166  -5.608
   68    HD2  LYS   9           HD2      LYS   9 -14.715   0.039  -5.105
   69    HD3  LYS   9           HD1      LYS   9 -13.404   0.790  -6.016
   70    HE2  LYS   9           HE2      LYS   9 -14.203  -0.313  -8.055
   71    HE3  LYS   9           HE1      LYS   9 -15.523  -1.038  -7.140
   72    HZ1  LYS   9           HZ1      LYS   9 -16.229   0.937  -8.343
   73    HZ2  LYS   9           HZ2      LYS   9 -15.092   1.874  -7.515
   74    HZ3  LYS   9           HZ3      LYS   9 -16.374   1.164  -6.674
   75    H    VAL  10           HN       VAL  10 -12.152  -2.436  -1.726
   76    HA   VAL  10           HA       VAL  10  -9.963  -1.103  -0.595
   77    HB   VAL  10           HB       VAL  10 -11.524  -3.223   0.872
   78   HG11  VAL  10          HG11      VAL  10  -9.651  -2.262   2.068
   79   HG12  VAL  10          HG12      VAL  10 -11.171  -1.735   2.792
   80   HG13  VAL  10          HG13      VAL  10 -10.261  -0.635   1.752
   81   HG21  VAL  10          HG21      VAL  10 -13.263  -1.688   1.368
   82   HG22  VAL  10          HG22      VAL  10 -13.062  -1.686  -0.385
   83   HG23  VAL  10          HG23      VAL  10 -12.405  -0.366   0.582
   84    H    GLU  11           HN       GLU  11 -10.655  -4.588  -0.795
   85    HA   GLU  11           HA       GLU  11  -8.211  -5.384   0.424
   86    HB2  GLU  11           HB2      GLU  11 -10.239  -6.779   0.428
   87    HB3  GLU  11           HB1      GLU  11 -10.122  -6.964  -1.316
   88    HG2  GLU  11           HG2      GLU  11  -8.009  -8.143  -1.061
   89    HG3  GLU  11           HG1      GLU  11  -8.098  -7.939   0.687
   90    H    GLU  12           HN       GLU  12  -9.039  -4.481  -2.797
   91    HA   GLU  12           HA       GLU  12  -6.917  -5.827  -4.140
   92    HB2  GLU  12           HB2      GLU  12  -8.976  -4.938  -5.270
   93    HB3  GLU  12           HB1      GLU  12  -8.360  -3.314  -5.004
   94    HG2  GLU  12           HG2      GLU  12  -7.910  -4.039  -7.265
   95    HG3  GLU  12           HG1      GLU  12  -6.403  -3.832  -6.373
   96    H    LEU  13           HN       LEU  13  -7.383  -2.610  -2.765
   97    HA   LEU  13           HA       LEU  13  -4.688  -1.800  -3.237
   98    HB2  LEU  13           HB2      LEU  13  -6.748  -0.760  -1.295
   99    HB3  LEU  13           HB1      LEU  13  -5.199   0.001  -1.601
  100    HG   LEU  13           HG       LEU  13  -7.482  -0.308  -3.550
  101   HD11  LEU  13          HD11      LEU  13  -6.166   2.127  -2.367
  102   HD12  LEU  13          HD12      LEU  13  -7.726   1.466  -1.883
  103   HD13  LEU  13          HD13      LEU  13  -7.508   2.115  -3.510
  104   HD21  LEU  13          HD21      LEU  13  -6.077   0.939  -5.129
  105   HD22  LEU  13          HD22      LEU  13  -5.384  -0.633  -4.733
  106   HD23  LEU  13          HD23      LEU  13  -4.725   0.831  -4.002
  107    H    LEU  14           HN       LEU  14  -6.304  -3.686  -0.851
  108    HA   LEU  14           HA       LEU  14  -4.399  -3.526   1.235
  109    HB2  LEU  14           HB2      LEU  14  -6.789  -4.373   1.346
  110    HB3  LEU  14           HB1      LEU  14  -6.209  -5.848   0.606
  111    HG   LEU  14           HG       LEU  14  -4.640  -6.116   2.557
  112   HD11  LEU  14          HD11      LEU  14  -4.641  -3.792   3.309
  113   HD12  LEU  14          HD12      LEU  14  -5.155  -4.885   4.594
  114   HD13  LEU  14          HD13      LEU  14  -6.351  -3.927   3.721
  115   HD21  LEU  14          HD21      LEU  14  -7.599  -6.063   3.142
  116   HD22  LEU  14          HD22      LEU  14  -6.381  -6.966   4.044
  117   HD23  LEU  14          HD23      LEU  14  -6.717  -7.378   2.363
  118    H    SER  15           HN       SER  15  -4.733  -5.578  -1.596
  119    HA   SER  15           HA       SER  15  -2.733  -7.440  -0.778
  120    HB2  SER  15           HB2      SER  15  -2.916  -8.197  -3.217
  121    HB3  SER  15           HB1      SER  15  -4.367  -8.326  -2.227
  122    HG   SER  15           HG       SER  15  -5.260  -7.195  -3.743
  123    H    LYS  16           HN       LYS  16  -2.767  -4.565  -2.855
  124    HA   LYS  16           HA       LYS  16   0.014  -4.878  -3.493
  125    HB2  LYS  16           HB2      LYS  16  -0.047  -2.594  -4.347
  126    HB3  LYS  16           HB1      LYS  16  -1.360  -3.560  -5.007
  127    HG2  LYS  16           HG2      LYS  16  -2.925  -2.508  -3.495
  128    HG3  LYS  16           HG1      LYS  16  -1.619  -1.598  -2.741
  129    HD2  LYS  16           HD2      LYS  16  -2.496  -1.368  -5.620
  130    HD3  LYS  16           HD1      LYS  16  -2.892  -0.231  -4.333
  131    HE2  LYS  16           HE2      LYS  16  -1.091   0.855  -5.196
  132    HE3  LYS  16           HE1      LYS  16  -0.243  -0.211  -4.077
  133    HZ1  LYS  16           HZ1      LYS  16   0.177  -1.743  -5.892
  134    HZ2  LYS  16           HZ2      LYS  16   0.777  -0.212  -6.275
  135    HZ3  LYS  16           HZ3      LYS  16  -0.667  -0.750  -6.967
  136    H    ASN  17           HN       ASN  17  -1.833  -3.218  -0.999
  137    HA   ASN  17           HA       ASN  17   0.240  -1.892   0.323
  138    HB2  ASN  17           HB2      ASN  17  -2.384  -3.025   1.108
  139    HB3  ASN  17           HB1      ASN  17  -1.229  -2.795   2.416
  140   HD21  ASN  17          HD21      ASN  17  -3.784  -1.432   1.586
  141   HD22  ASN  17          HD22      ASN  17  -3.382   0.248   1.564
  142    H    TYR  18           HN       TYR  18  -0.801  -5.281   0.438
  143    HA   TYR  18           HA       TYR  18   1.139  -6.171   2.290
  144    HB2  TYR  18           HB2      TYR  18  -0.719  -7.598   1.626
  145    HB3  TYR  18           HB1      TYR  18  -0.143  -7.629  -0.036
  146    HD1  TYR  18           HD1      TYR  18   1.497  -9.194  -0.727
  147    HD2  TYR  18           HD2      TYR  18   0.640  -8.731   3.415
  148    HE1  TYR  18           HE1      TYR  18   2.821 -11.205  -0.236
  149    HE2  TYR  18           HE2      TYR  18   1.963 -10.742   3.915
  150    HH   TYR  18           HH       TYR  18   4.058 -12.171   1.676
  151    H    HIS  19           HN       HIS  19   1.209  -5.944  -1.236
  152    HA   HIS  19           HA       HIS  19   3.761  -7.005  -1.667
  153    HB2  HIS  19           HB2      HIS  19   2.152  -6.717  -3.471
  154    HB3  HIS  19           HB1      HIS  19   2.207  -4.970  -3.280
  155    HD1  HIS  19           HD1      HIS  19   3.502  -3.935  -5.096
  156    HD2  HIS  19           HD2      HIS  19   5.043  -7.644  -4.038
  157    HE1  HIS  19           HE1      HIS  19   5.484  -4.291  -6.594
  158    HE2  HIS  19           HE2      HIS  19   6.286  -6.616  -6.058
  159    H    LEU  20           HN       LEU  20   2.769  -3.590  -1.419
  160    HA   LEU  20           HA       LEU  20   5.309  -2.445  -1.717
  161    HB2  LEU  20           HB2      LEU  20   3.117  -1.345   0.023
  162    HB3  LEU  20           HB1      LEU  20   4.379  -0.435  -0.767
  163    HG   LEU  20           HG       LEU  20   1.981  -1.722  -1.974
  164   HD11  LEU  20          HD11      LEU  20   1.582   0.432  -1.040
  165   HD12  LEU  20          HD12      LEU  20   1.555   0.551  -2.799
  166   HD13  LEU  20          HD13      LEU  20   2.968   1.102  -1.897
  167   HD21  LEU  20          HD21      LEU  20   4.346  -0.540  -3.422
  168   HD22  LEU  20          HD22      LEU  20   2.814  -0.978  -4.177
  169   HD23  LEU  20          HD23      LEU  20   3.832  -2.227  -3.461
  170    H    GLU  21           HN       GLU  21   3.476  -3.194   1.210
  171    HA   GLU  21           HA       GLU  21   5.328  -2.423   3.126
  172    HB2  GLU  21           HB2      GLU  21   3.008  -4.200   3.038
  173    HB3  GLU  21           HB1      GLU  21   4.196  -4.675   4.244
  174    HG2  GLU  21           HG2      GLU  21   4.042  -2.571   5.336
  175    HG3  GLU  21           HG1      GLU  21   3.075  -1.897   4.029
  176    H    ASN  22           HN       ASN  22   5.064  -5.548   1.472
  177    HA   ASN  22           HA       ASN  22   7.250  -6.743   2.829
  178    HB2  ASN  22           HB2      ASN  22   5.770  -7.397   0.300
  179    HB3  ASN  22           HB1      ASN  22   7.226  -8.283   0.738
  180   HD21  ASN  22          HD21      ASN  22   5.020  -7.047   3.141
  181   HD22  ASN  22          HD22      ASN  22   4.411  -8.583   3.647
  182    H    GLU  23           HN       GLU  23   6.973  -4.834  -0.125
  183    HA   GLU  23           HA       GLU  23   9.644  -5.236  -0.997
  184    HB2  GLU  23           HB2      GLU  23   7.711  -2.973  -1.508
  185    HB3  GLU  23           HB1      GLU  23   9.284  -3.099  -2.283
  186    HG2  GLU  23           HG2      GLU  23   7.041  -5.094  -2.507
  187    HG3  GLU  23           HG1      GLU  23   7.501  -3.908  -3.727
  188    H    VAL  24           HN       VAL  24   8.141  -2.698   0.990
  189    HA   VAL  24           HA       VAL  24  10.458  -1.166   1.407
  190    HB   VAL  24           HB       VAL  24   8.203  -1.513   3.399
  191   HG11  VAL  24          HG11      VAL  24   8.821   0.742   4.120
  192   HG12  VAL  24          HG12      VAL  24  10.132   0.760   2.939
  193   HG13  VAL  24          HG13      VAL  24  10.173  -0.380   4.286
  194   HG21  VAL  24          HG21      VAL  24   7.142   0.418   2.354
  195   HG22  VAL  24          HG22      VAL  24   7.290  -0.919   1.213
  196   HG23  VAL  24          HG23      VAL  24   8.400   0.448   1.118
  197    H    ALA  25           HN       ALA  25   9.062  -3.859   3.234
  198    HA   ALA  25           HA       ALA  25  10.793  -3.838   5.419
  199    HB1  ALA  25           HB1      ALA  25  10.070  -6.134   5.807
  200    HB2  ALA  25           HB2      ALA  25   9.438  -6.227   4.163
  201    HB3  ALA  25           HB3      ALA  25   8.701  -5.128   5.330
  202    H    ARG  26           HN       ARG  26  11.058  -5.578   2.336
  203    HA   ARG  26           HA       ARG  26  13.466  -6.918   2.975
  204    HB2  ARG  26           HB2      ARG  26  12.235  -6.211   0.312
  205    HB3  ARG  26           HB1      ARG  26  13.666  -7.214   0.488
  206    HG2  ARG  26           HG2      ARG  26  10.985  -7.859   1.696
  207    HG3  ARG  26           HG1      ARG  26  11.561  -8.484   0.152
  208    HD2  ARG  26           HD2      ARG  26  11.976 -10.159   1.790
  209    HD3  ARG  26           HD1      ARG  26  13.529  -9.439   1.377
  210    HE   ARG  26           HE       ARG  26  12.183  -8.348   3.709
  211   HH11  ARG  26          HH11      ARG  26  14.584 -10.576   2.475
  212   HH12  ARG  26          HH12      ARG  26  15.432 -10.691   3.982
  213   HH21  ARG  26          HH21      ARG  26  13.300  -8.498   5.691
  214   HH22  ARG  26          HH22      ARG  26  14.695  -9.520   5.812
  215    H    LEU  27           HN       LEU  27  12.820  -3.943   1.150
  216    HA   LEU  27           HA       LEU  27  15.489  -3.339   0.527
  217    HB2  LEU  27           HB2      LEU  27  12.938  -1.832   0.633
  218    HB3  LEU  27           HB1      LEU  27  14.416  -0.899   0.629
  219    HG   LEU  27           HG       LEU  27  15.026  -1.633  -1.522
  220   HD11  LEU  27          HD11      LEU  27  12.837  -3.699  -1.366
  221   HD12  LEU  27          HD12      LEU  27  14.568  -4.019  -1.248
  222   HD13  LEU  27          HD13      LEU  27  13.886  -3.392  -2.750
  223   HD21  LEU  27          HD21      LEU  27  13.304   0.005  -1.630
  224   HD22  LEU  27          HD22      LEU  27  12.054  -1.216  -1.394
  225   HD23  LEU  27          HD23      LEU  27  12.995  -1.196  -2.884
  226    H    LYS  28           HN       LYS  28  13.510  -2.548   3.341
  227    HA   LYS  28           HA       LYS  28  15.280  -0.791   4.613
  228    HB2  LYS  28           HB2      LYS  28  13.048  -2.540   5.523
  229    HB3  LYS  28           HB1      LYS  28  14.129  -1.895   6.749
  230    HG2  LYS  28           HG2      LYS  28  12.629  -0.235   4.736
  231    HG3  LYS  28           HG1      LYS  28  12.117  -0.519   6.399
  232    HD2  LYS  28           HD2      LYS  28  14.193   0.515   7.206
  233    HD3  LYS  28           HD1      LYS  28  14.683   0.820   5.540
  234    HE2  LYS  28           HE2      LYS  28  12.786   2.282   5.213
  235    HE3  LYS  28           HE1      LYS  28  12.189   1.911   6.828
  236    HZ1  LYS  28           HZ1      LYS  28  13.335   4.026   6.792
  237    HZ2  LYS  28           HZ2      LYS  28  14.736   3.297   6.195
  238    HZ3  LYS  28           HZ3      LYS  28  14.187   2.924   7.748
  239    H    LYS  29           HN       LYS  29  15.286  -4.275   4.378
  240    HA   LYS  29           HA       LYS  29  17.181  -4.717   6.462
  241    HB2  LYS  29           HB2      LYS  29  15.752  -6.527   5.768
  242    HB3  LYS  29           HB1      LYS  29  16.321  -6.411   4.112
  243    HG2  LYS  29           HG2      LYS  29  17.276  -8.334   5.251
  244    HG3  LYS  29           HG1      LYS  29  18.526  -7.170   4.795
  245    HD2  LYS  29           HD2      LYS  29  18.596  -6.321   7.074
  246    HD3  LYS  29           HD1      LYS  29  17.296  -7.430   7.544
  247    HE2  LYS  29           HE2      LYS  29  19.501  -8.271   8.211
  248    HE3  LYS  29           HE1      LYS  29  18.718  -9.335   7.048
  249    HZ1  LYS  29           HZ1      LYS  29  20.846  -7.349   6.430
  250    HZ2  LYS  29           HZ2      LYS  29  20.084  -8.359   5.303
  251    HZ3  LYS  29           HZ3      LYS  29  21.045  -9.029   6.522
  252    H    LEU  30           HN       LEU  30  17.395  -4.062   3.031
  253    HA   LEU  30           HA       LEU  30  20.196  -4.683   2.861
  254    HB2  LEU  30           HB2      LEU  30  18.189  -3.553   0.950
  255    HB3  LEU  30           HB1      LEU  30  19.898  -3.466   0.579
  256    HG   LEU  30           HG       LEU  30  19.991  -5.966   0.839
  257   HD11  LEU  30          HD11      LEU  30  16.994  -5.722   0.816
  258   HD12  LEU  30          HD12      LEU  30  17.982  -6.280   2.165
  259   HD13  LEU  30          HD13      LEU  30  17.916  -7.218   0.674
  260   HD21  LEU  30          HD21      LEU  30  19.954  -4.928  -1.343
  261   HD22  LEU  30          HD22      LEU  30  18.193  -4.835  -1.293
  262   HD23  LEU  30          HD23      LEU  30  18.990  -6.405  -1.358
  263    H    VAL  31           HN       VAL  31  18.242  -1.738   3.022
  264    HA   VAL  31           HA       VAL  31  20.532   0.002   3.025
  265    HB   VAL  31           HB       VAL  31  17.722   0.579   4.001
  266   HG11  VAL  31          HG11      VAL  31  18.300   2.925   3.614
  267   HG12  VAL  31          HG12      VAL  31  19.937   2.448   3.165
  268   HG13  VAL  31          HG13      VAL  31  19.363   2.186   4.812
  269   HG21  VAL  31          HG21      VAL  31  17.362   1.591   1.787
  270   HG22  VAL  31          HG22      VAL  31  17.668  -0.142   1.686
  271   HG23  VAL  31          HG23      VAL  31  18.943   1.005   1.276
  272    H    GLY  32           HN       GLY  32  18.785  -1.871   5.292
  273    HA2  GLY  32           HA2      GLY  32  19.552  -0.495   7.669
  274    HA3  GLY  32           HA1      GLY  32  18.839  -2.100   7.555
  275    H    GLU  33           HN       GLU  33  20.470  -3.727   6.472
  276    HA   GLU  33           HA       GLU  33  23.194  -3.336   7.302
  277    HB2  GLU  33           HB2      GLU  33  23.117  -5.375   8.824
  278    HB3  GLU  33           HB1      GLU  33  22.419  -3.892   9.454
  279    HG2  GLU  33           HG2      GLU  33  20.180  -4.714   8.890
  280    HG3  GLU  33           HG1      GLU  33  20.891  -6.211   8.289
  281    H1   GLY   1           HT1      GLY   1 -27.136   5.739   3.445
  282    H2   GLY   1           HT2      GLY   1 -25.910   5.572   4.593
  283    H3   GLY   1           HT3      GLY   1 -26.564   4.204   3.855
  284    HA2  GLY   1           HA1      GLY   1 -25.690   4.890   1.723
  285    HA3  GLY   1           HA2      GLY   1 -25.020   6.327   2.483
  286    H    SER   2           HN       SER   2 -23.782   3.970   1.075
  287    HA   SER   2           HA       SER   2 -21.881   3.278   3.213
  288    HB2  SER   2           HB2      SER   2 -21.578   1.092   1.958
  289    HB3  SER   2           HB1      SER   2 -23.126   1.289   2.782
  290    HG   SER   2           HG       SER   2 -23.712   0.648   0.800
  291    H    MET   3           HN       MET   3 -22.330   4.740   0.236
  292    HA   MET   3           HA       MET   3 -20.162   3.879  -1.300
  293    HB2  MET   3           HB2      MET   3 -21.435   6.618  -1.280
  294    HB3  MET   3           HB1      MET   3 -20.426   5.965  -2.558
  295    HG2  MET   3           HG2      MET   3 -23.070   4.814  -1.716
  296    HG3  MET   3           HG1      MET   3 -22.847   5.930  -3.055
  297    HE1  MET   3           HE1      MET   3 -21.928   1.448  -2.976
  298    HE2  MET   3           HE2      MET   3 -23.100   2.322  -1.993
  299    HE3  MET   3           HE3      MET   3 -21.377   2.484  -1.663
  300    H    LYS   4           HN       LYS   4 -20.388   6.773   0.762
  301    HA   LYS   4           HA       LYS   4 -17.677   7.514   0.256
  302    HB2  LYS   4           HB2      LYS   4 -19.552   8.507   2.409
  303    HB3  LYS   4           HB1      LYS   4 -18.053   9.276   1.911
  304    HG2  LYS   4           HG2      LYS   4 -19.040   9.582  -0.354
  305    HG3  LYS   4           HG1      LYS   4 -20.564   8.961   0.284
  306    HD2  LYS   4           HD2      LYS   4 -20.875  11.237   0.495
  307    HD3  LYS   4           HD1      LYS   4 -20.243  10.822   2.087
  308    HE2  LYS   4           HE2      LYS   4 -18.603  11.902  -0.206
  309    HE3  LYS   4           HE1      LYS   4 -19.221  12.864   1.132
  310    HZ1  LYS   4           HZ1      LYS   4 -17.243  10.658   1.305
  311    HZ2  LYS   4           HZ2      LYS   4 -17.899  11.458   2.642
  312    HZ3  LYS   4           HZ3      LYS   4 -16.947  12.306   1.535
  313    H    GLN   5           HN       GLN   5 -19.139   5.359   2.421
  314    HA   GLN   5           HA       GLN   5 -17.171   5.670   4.527
  315    HB2  GLN   5           HB2      GLN   5 -19.541   3.810   4.261
  316    HB3  GLN   5           HB1      GLN   5 -18.490   3.892   5.667
  317    HG2  GLN   5           HG2      GLN   5 -19.151   6.196   6.054
  318    HG3  GLN   5           HG1      GLN   5 -20.169   6.154   4.615
  319   HE21  GLN   5          HE21      GLN   5 -22.016   6.628   5.802
  320   HE22  GLN   5          HE22      GLN   5 -22.770   5.466   6.836
  321    H    LEU   6           HN       LEU   6 -18.297   3.187   2.263
  322    HA   LEU   6           HA       LEU   6 -16.202   1.366   2.801
  323    HB2  LEU   6           HB2      LEU   6 -18.172   1.733   0.587
  324    HB3  LEU   6           HB1      LEU   6 -16.801   0.685   0.315
  325    HG   LEU   6           HG       LEU   6 -18.904  -0.485   1.011
  326   HD11  LEU   6          HD11      LEU   6 -16.606  -0.834   2.932
  327   HD12  LEU   6          HD12      LEU   6 -16.657  -1.479   1.293
  328   HD13  LEU   6          HD13      LEU   6 -17.821  -2.033   2.495
  329   HD21  LEU   6          HD21      LEU   6 -18.338   0.766   3.695
  330   HD22  LEU   6          HD22      LEU   6 -19.594  -0.417   3.325
  331   HD23  LEU   6          HD23      LEU   6 -19.674   1.202   2.630
  332    H    GLU   7           HN       GLU   7 -16.660   3.933   0.399
  333    HA   GLU   7           HA       GLU   7 -14.148   3.621  -0.847
  334    HB2  GLU   7           HB2      GLU   7 -16.057   4.925  -1.782
  335    HB3  GLU   7           HB1      GLU   7 -15.741   6.174  -0.586
  336    HG2  GLU   7           HG2      GLU   7 -13.570   6.600  -1.538
  337    HG3  GLU   7           HG1      GLU   7 -13.769   5.261  -2.668
  338    H    ASP   8           HN       ASP   8 -15.134   5.323   2.097
  339    HA   ASP   8           HA       ASP   8 -12.776   6.770   2.561
  340    HB2  ASP   8           HB2      ASP   8 -14.960   5.759   4.233
  341    HB3  ASP   8           HB1      ASP   8 -13.422   5.872   5.082
  342    H    LYS   9           HN       LYS   9 -13.543   3.400   3.238
  343    HA   LYS   9           HA       LYS   9 -11.109   2.779   4.546
  344    HB2  LYS   9           HB2      LYS   9 -13.062   0.969   3.112
  345    HB3  LYS   9           HB1      LYS   9 -11.784   0.431   4.194
  346    HG2  LYS   9           HG2      LYS   9 -12.831   1.520   6.063
  347    HG3  LYS   9           HG1      LYS   9 -14.049   2.240   5.007
  348    HD2  LYS   9           HD2      LYS   9 -14.926   0.046   4.476
  349    HD3  LYS   9           HD1      LYS   9 -13.656  -0.717   5.431
  350    HE2  LYS   9           HE2      LYS   9 -14.516   0.393   7.443
  351    HE3  LYS   9           HE1      LYS   9 -15.800   1.123   6.480
  352    HZ1  LYS   9           HZ1      LYS   9 -16.570  -0.842   7.650
  353    HZ2  LYS   9           HZ2      LYS   9 -15.394  -1.792   6.889
  354    HZ3  LYS   9           HZ3      LYS   9 -16.632  -1.088   5.979
  355    H    VAL  10           HN       VAL  10 -12.201   2.491   1.194
  356    HA   VAL  10           HA       VAL  10  -9.980   1.131   0.156
  357    HB   VAL  10           HB       VAL  10 -11.461   3.259  -1.378
  358   HG11  VAL  10          HG11      VAL  10  -9.548   2.282  -2.494
  359   HG12  VAL  10          HG12      VAL  10 -11.040   1.766  -3.281
  360   HG13  VAL  10          HG13      VAL  10 -10.183   0.661  -2.202
  361   HG21  VAL  10          HG21      VAL  10 -13.193   1.740  -1.939
  362   HG22  VAL  10          HG22      VAL  10 -13.062   1.738  -0.179
  363   HG23  VAL  10          HG23      VAL  10 -12.378   0.413  -1.120
  364    H    GLU  11           HN       GLU  11 -10.655   4.621   0.315
  365    HA   GLU  11           HA       GLU  11  -8.155   5.400  -0.796
  366    HB2  GLU  11           HB2      GLU  11 -10.174   6.810  -0.884
  367    HB3  GLU  11           HB1      GLU  11 -10.125   6.998   0.862
  368    HG2  GLU  11           HG2      GLU  11  -7.994   8.165   0.688
  369    HG3  GLU  11           HG1      GLU  11  -8.016   7.953  -1.061
  370    H    GLU  12           HN       GLU  12  -9.121   4.507   2.389
  371    HA   GLU  12           HA       GLU  12  -7.044   5.840   3.813
  372    HB2  GLU  12           HB2      GLU  12  -9.155   4.965   4.859
  373    HB3  GLU  12           HB1      GLU  12  -8.536   3.338   4.626
  374    HG2  GLU  12           HG2      GLU  12  -8.176   4.074   6.899
  375    HG3  GLU  12           HG1      GLU  12  -6.636   3.853   6.071
  376    H    LEU  13           HN       LEU  13  -7.479   2.625   2.427
  377    HA   LEU  13           HA       LEU  13  -4.809   1.799   3.007
  378    HB2  LEU  13           HB2      LEU  13  -6.795   0.770   0.986
  379    HB3  LEU  13           HB1      LEU  13  -5.265  -0.001   1.358
  380    HG   LEU  13           HG       LEU  13  -7.626   0.327   3.208
  381   HD11  LEU  13          HD11      LEU  13  -6.278  -2.118   2.083
  382   HD12  LEU  13          HD12      LEU  13  -7.814  -1.448   1.537
  383   HD13  LEU  13          HD13      LEU  13  -7.667  -2.095   3.171
  384   HD21  LEU  13          HD21      LEU  13  -6.296  -0.923   4.851
  385   HD22  LEU  13          HD22      LEU  13  -5.580   0.645   4.480
  386   HD23  LEU  13          HD23      LEU  13  -4.897  -0.824   3.782
  387    H    LEU  14           HN       LEU  14  -6.318   3.686   0.552
  388    HA   LEU  14           HA       LEU  14  -4.330   3.510  -1.452
  389    HB2  LEU  14           HB2      LEU  14  -6.707   4.374  -1.663
  390    HB3  LEU  14           HB1      LEU  14  -6.146   5.845  -0.900
  391    HG   LEU  14           HG       LEU  14  -4.496   6.100  -2.788
  392   HD11  LEU  14          HD11      LEU  14  -4.488   3.775  -3.539
  393   HD12  LEU  14          HD12      LEU  14  -4.942   4.873  -4.843
  394   HD13  LEU  14          HD13      LEU  14  -6.180   3.926  -4.018
  395   HD21  LEU  14          HD21      LEU  14  -7.429   6.075  -3.491
  396   HD22  LEU  14          HD22      LEU  14  -6.169   6.964  -4.346
  397   HD23  LEU  14          HD23      LEU  14  -6.568   7.383  -2.680
  398    H    SER  15           HN       SER  15  -4.765   5.572   1.360
  399    HA   SER  15           HA       SER  15  -2.719   7.417   0.620
  400    HB2  SER  15           HB2      SER  15  -2.992   8.186   3.045
  401    HB3  SER  15           HB1      SER  15  -4.407   8.318   2.003
  402    HG   SER  15           HG       SER  15  -5.363   7.189   3.482
  403    H    LYS  16           HN       LYS  16  -2.857   4.549   2.702
  404    HA   LYS  16           HA       LYS  16  -0.100   4.844   3.446
  405    HB2  LYS  16           HB2      LYS  16  -0.211   2.565   4.307
  406    HB3  LYS  16           HB1      LYS  16  -1.547   3.541   4.906
  407    HG2  LYS  16           HG2      LYS  16  -3.051   2.490   3.332
  408    HG3  LYS  16           HG1      LYS  16  -1.719   1.572   2.637
  409    HD2  LYS  16           HD2      LYS  16  -2.716   1.355   5.477
  410    HD3  LYS  16           HD1      LYS  16  -3.069   0.219   4.179
  411    HE2  LYS  16           HE2      LYS  16  -1.309  -0.882   5.112
  412    HE3  LYS  16           HE1      LYS  16  -0.410   0.180   4.033
  413    HZ1  LYS  16           HZ1      LYS  16  -0.056   1.707   5.863
  414    HZ2  LYS  16           HZ2      LYS  16   0.513   0.171   6.275
  415    HZ3  LYS  16           HZ3      LYS  16  -0.955   0.724   6.902
  416    H    ASN  17           HN       ASN  17  -1.860   3.183   0.887
  417    HA   ASN  17           HA       ASN  17   0.258   1.847  -0.350
  418    HB2  ASN  17           HB2      ASN  17  -2.325   2.995  -1.244
  419    HB3  ASN  17           HB1      ASN  17  -1.119   2.752  -2.503
  420   HD21  ASN  17          HD21      ASN  17  -3.717   1.410  -1.772
  421   HD22  ASN  17          HD22      ASN  17  -3.325  -0.273  -1.727
  422    H    TYR  18           HN       TYR  18  -0.747   5.244  -0.501
  423    HA   TYR  18           HA       TYR  18   1.265   6.113  -2.286
  424    HB2  TYR  18           HB2      TYR  18  -0.606   7.556  -1.698
  425    HB3  TYR  18           HB1      TYR  18  -0.093   7.588  -0.015
  426    HD1  TYR  18           HD1      TYR  18   1.525   9.139   0.736
  427    HD2  TYR  18           HD2      TYR  18   0.836   8.675  -3.436
  428    HE1  TYR  18           HE1      TYR  18   2.884  11.138   0.295
  429    HE2  TYR  18           HE2      TYR  18   2.192  10.674  -3.887
  430    HH   TYR  18           HH       TYR  18   4.215  12.082  -1.589
  431    H    HIS  19           HN       HIS  19   1.193   5.897   1.240
  432    HA   HIS  19           HA       HIS  19   3.732   6.939   1.770
  433    HB2  HIS  19           HB2      HIS  19   2.046   6.665   3.506
  434    HB3  HIS  19           HB1      HIS  19   2.103   4.917   3.324
  435    HD1  HIS  19           HD1      HIS  19   3.318   3.880   5.194
  436    HD2  HIS  19           HD2      HIS  19   4.920   7.585   4.193
  437    HE1  HIS  19           HE1      HIS  19   5.233   4.239   6.780
  438    HE2  HIS  19           HE2      HIS  19   6.095   6.546   6.250
  439    H    LEU  20           HN       LEU  20   2.729   3.529   1.493
  440    HA   LEU  20           HA       LEU  20   5.247   2.367   1.891
  441    HB2  LEU  20           HB2      LEU  20   3.117   1.281   0.066
  442    HB3  LEU  20           HB1      LEU  20   4.341   0.363   0.909
  443    HG   LEU  20           HG       LEU  20   1.903   1.669   2.014
  444   HD11  LEU  20          HD11      LEU  20   1.530  -0.487   1.071
  445   HD12  LEU  20          HD12      LEU  20   1.429  -0.598   2.827
  446   HD13  LEU  20          HD13      LEU  20   2.875  -1.162   1.988
  447   HD21  LEU  20          HD21      LEU  20   4.202   0.475   3.558
  448   HD22  LEU  20          HD22      LEU  20   2.643   0.924   4.251
  449   HD23  LEU  20          HD23      LEU  20   3.696   2.165   3.574
  450    H    GLU  21           HN       GLU  21   3.538   3.123  -1.107
  451    HA   GLU  21           HA       GLU  21   5.458   2.336  -2.946
  452    HB2  GLU  21           HB2      GLU  21   3.151   4.129  -2.956
  453    HB3  GLU  21           HB1      GLU  21   4.390   4.594  -4.113
  454    HG2  GLU  21           HG2      GLU  21   4.266   2.491  -5.208
  455    HG3  GLU  21           HG1      GLU  21   3.244   1.823  -3.941
  456    H    ASN  22           HN       ASN  22   5.152   5.465  -1.307
  457    HA   ASN  22           HA       ASN  22   7.398   6.642  -2.584
  458    HB2  ASN  22           HB2      ASN  22   5.820   7.316  -0.118
  459    HB3  ASN  22           HB1      ASN  22   7.300   8.188  -0.494
  460   HD21  ASN  22          HD21      ASN  22   5.188   6.958  -2.976
  461   HD22  ASN  22          HD22      ASN  22   4.601   8.493  -3.512
  462    H    GLU  23           HN       GLU  23   6.988   4.739   0.357
  463    HA   GLU  23           HA       GLU  23   9.624   5.128   1.339
  464    HB2  GLU  23           HB2      GLU  23   7.655   2.880   1.778
  465    HB3  GLU  23           HB1      GLU  23   9.196   2.999   2.615
  466    HG2  GLU  23           HG2      GLU  23   6.963   5.012   2.744
  467    HG3  GLU  23           HG1      GLU  23   7.362   3.824   3.982
  468    H    VAL  24           HN       VAL  24   8.184   2.599  -0.703
  469    HA   VAL  24           HA       VAL  24  10.506   1.046  -1.019
  470    HB   VAL  24           HB       VAL  24   8.337   1.402  -3.104
  471   HG11  VAL  24          HG11      VAL  24   8.967  -0.859  -3.790
  472   HG12  VAL  24          HG12      VAL  24  10.227  -0.881  -2.555
  473   HG13  VAL  24          HG13      VAL  24  10.332   0.252  -3.904
  474   HG21  VAL  24          HG21      VAL  24   7.223  -0.518  -2.098
  475   HG22  VAL  24          HG22      VAL  24   7.331   0.823  -0.957
  476   HG23  VAL  24          HG23      VAL  24   8.427  -0.553  -0.810
  477    H    ALA  25           HN       ALA  25   9.201   3.738  -2.912
  478    HA   ALA  25           HA       ALA  25  11.023   3.706  -5.022
  479    HB1  ALA  25           HB1      ALA  25  10.335   6.013  -5.432
  480    HB2  ALA  25           HB2      ALA  25   9.628   6.100  -3.820
  481    HB3  ALA  25           HB3      ALA  25   8.940   5.010  -5.025
  482    H    ARG  26           HN       ARG  26  11.172   5.455  -1.932
  483    HA   ARG  26           HA       ARG  26  13.615   6.774  -2.473
  484    HB2  ARG  26           HB2      ARG  26  12.273   6.078   0.140
  485    HB3  ARG  26           HB1      ARG  26  13.718   7.071   0.022
  486    HG2  ARG  26           HG2      ARG  26  11.090   7.731  -1.292
  487    HG3  ARG  26           HG1      ARG  26  11.614   8.360   0.270
  488    HD2  ARG  26           HD2      ARG  26  12.105  10.025  -1.355
  489    HD3  ARG  26           HD1      ARG  26  13.636   9.291  -0.890
  490    HE   ARG  26           HE       ARG  26  12.349   8.214  -3.266
  491   HH11  ARG  26          HH11      ARG  26  14.739  10.414  -1.950
  492   HH12  ARG  26          HH12      ARG  26  15.643  10.517  -3.429
  493   HH21  ARG  26          HH21      ARG  26  13.551   8.343  -5.209
  494   HH22  ARG  26          HH22      ARG  26  14.963   9.347  -5.276
  495    H    LEU  27           HN       LEU  27  12.878   3.806  -0.666
  496    HA   LEU  27           HA       LEU  27  15.517   3.181   0.055
  497    HB2  LEU  27           HB2      LEU  27  12.960   1.694  -0.143
  498    HB3  LEU  27           HB1      LEU  27  14.428   0.751  -0.079
  499    HG   LEU  27           HG       LEU  27  14.957   1.485   2.093
  500   HD11  LEU  27          HD11      LEU  27  12.789   3.566   1.849
  501   HD12  LEU  27          HD12      LEU  27  14.526   3.875   1.797
  502   HD13  LEU  27          HD13      LEU  27  13.785   3.256   3.273
  503   HD21  LEU  27          HD21      LEU  27  13.217  -0.142   2.133
  504   HD22  LEU  27          HD22      LEU  27  11.990   1.090   1.846
  505   HD23  LEU  27          HD23      LEU  27  12.870   1.064   3.373
  506    H    LYS  28           HN       LYS  28  13.644   2.400  -2.834
  507    HA   LYS  28           HA       LYS  28  15.454   0.629  -4.032
  508    HB2  LYS  28           HB2      LYS  28  13.269   2.391  -5.034
  509    HB3  LYS  28           HB1      LYS  28  14.394   1.735  -6.213
  510    HG2  LYS  28           HG2      LYS  28  12.804   0.092  -4.257
  511    HG3  LYS  28           HG1      LYS  28  12.360   0.376  -5.939
  512    HD2  LYS  28           HD2      LYS  28  14.459  -0.673  -6.662
  513    HD3  LYS  28           HD1      LYS  28  14.879  -0.980  -4.977
  514    HE2  LYS  28           HE2      LYS  28  12.963  -2.427  -4.723
  515    HE3  LYS  28           HE1      LYS  28  12.428  -2.054  -6.362
  516    HZ1  LYS  28           HZ1      LYS  28  13.555  -4.178  -6.282
  517    HZ2  LYS  28           HZ2      LYS  28  14.941  -3.458  -5.633
  518    HZ3  LYS  28           HZ3      LYS  28  14.454  -3.083  -7.205
  519    H    LYS  29           HN       LYS  29  15.471   4.111  -3.799
  520    HA   LYS  29           HA       LYS  29  17.451   4.539  -5.806
  521    HB2  LYS  29           HB2      LYS  29  16.006   6.357  -5.173
  522    HB3  LYS  29           HB1      LYS  29  16.509   6.239  -3.494
  523    HG2  LYS  29           HG2      LYS  29  17.520   8.154  -4.599
  524    HG3  LYS  29           HG1      LYS  29  18.742   6.986  -4.090
  525    HD2  LYS  29           HD2      LYS  29  18.898   6.129  -6.362
  526    HD3  LYS  29           HD1      LYS  29  17.630   7.248  -6.885
  527    HE2  LYS  29           HE2      LYS  29  19.873   8.066  -7.457
  528    HE3  LYS  29           HE1      LYS  29  19.048   9.142  -6.332
  529    HZ1  LYS  29           HZ1      LYS  29  21.129   7.135  -5.617
  530    HZ2  LYS  29           HZ2      LYS  29  20.321   8.149  -4.523
  531    HZ3  LYS  29           HZ3      LYS  29  21.340   8.815  -5.694
  532    H    LEU  30           HN       LEU  30  17.527   3.893  -2.365
  533    HA   LEU  30           HA       LEU  30  20.324   4.488  -2.086
  534    HB2  LEU  30           HB2      LEU  30  18.231   3.372  -0.259
  535    HB3  LEU  30           HB1      LEU  30  19.924   3.275   0.183
  536    HG   LEU  30           HG       LEU  30  20.043   5.774  -0.075
  537   HD11  LEU  30          HD11      LEU  30  17.045   5.549  -0.170
  538   HD12  LEU  30          HD12      LEU  30  18.087   6.099  -1.481
  539   HD13  LEU  30          HD13      LEU  30  17.969   7.041   0.005
  540   HD21  LEU  30          HD21      LEU  30  19.907   4.743   2.107
  541   HD22  LEU  30          HD22      LEU  30  18.151   4.662   1.984
  542   HD23  LEU  30          HD23      LEU  30  18.956   6.227   2.076
  543    H    VAL  31           HN       VAL  31  18.353   1.556  -2.312
  544    HA   VAL  31           HA       VAL  31  20.626  -0.200  -2.224
  545    HB   VAL  31           HB       VAL  31  17.854  -0.757  -3.311
  546   HG11  VAL  31          HG11      VAL  31  18.397  -3.108  -2.900
  547   HG12  VAL  31          HG12      VAL  31  20.018  -2.642  -2.382
  548   HG13  VAL  31          HG13      VAL  31  19.517  -2.379  -4.052
  549   HG21  VAL  31          HG21      VAL  31  17.396  -1.763  -1.111
  550   HG22  VAL  31          HG22      VAL  31  17.712  -0.031  -1.002
  551   HG23  VAL  31          HG23      VAL  31  18.961  -1.186  -0.538
  552    H    GLY  32           HN       GLY  32  18.985   1.681  -4.565
  553    HA2  GLY  32           HA2      GLY  32  19.842   0.294  -6.902
  554    HA3  GLY  32           HA1      GLY  32  19.135   1.904  -6.824
  555    H    GLU  33           HN       GLU  33  20.744   3.519  -5.664
  556    HA   GLU  33           HA       GLU  33  23.492   3.109  -6.398
  557    HB2  GLU  33           HB2      GLU  33  23.486   5.129  -7.939
  558    HB3  GLU  33           HB1      GLU  33  22.795   3.649  -8.584
  559    HG2  GLU  33           HG2      GLU  33  20.549   4.497  -8.115
  560    HG3  GLU  33           HG1      GLU  33  21.250   5.987  -7.482
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -22.512  -3.683  -7.564
    2    H2   GLY   1           HT2      GLY   1 -22.975  -2.124  -8.023
    3    H3   GLY   1           HT3      GLY   1 -24.114  -3.371  -7.996
    4    HA2  GLY   1           HA1      GLY   1 -24.401  -1.940  -6.087
    5    HA3  GLY   1           HA2      GLY   1 -23.910  -3.557  -5.602
    6    H    SER   2           HN       SER   2 -23.399  -2.057  -3.655
    7    HA   SER   2           HA       SER   2 -20.852  -0.687  -3.982
    8    HB2  SER   2           HB2      SER   2 -21.380  -0.070  -1.506
    9    HB3  SER   2           HB1      SER   2 -22.328   0.670  -2.802
   10    HG   SER   2           HG       SER   2 -23.922  -0.084  -1.631
   11    H    MET   3           HN       MET   3 -22.214  -2.900  -1.526
   12    HA   MET   3           HA       MET   3 -20.059  -3.241   0.042
   13    HB2  MET   3           HB2      MET   3 -22.102  -5.318  -0.710
   14    HB3  MET   3           HB1      MET   3 -20.892  -5.585   0.539
   15    HG2  MET   3           HG2      MET   3 -22.861  -4.926   1.637
   16    HG3  MET   3           HG1      MET   3 -21.772  -3.544   1.692
   17    HE1  MET   3           HE1      MET   3 -24.896  -3.343   2.321
   18    HE2  MET   3           HE2      MET   3 -25.268  -1.837   1.482
   19    HE3  MET   3           HE3      MET   3 -23.763  -1.993   2.388
   20    H    LYS   4           HN       LYS   4 -20.630  -5.455  -2.745
   21    HA   LYS   4           HA       LYS   4 -18.241  -6.892  -2.015
   22    HB2  LYS   4           HB2      LYS   4 -20.214  -7.240  -4.257
   23    HB3  LYS   4           HB1      LYS   4 -18.740  -8.191  -4.151
   24    HG2  LYS   4           HG2      LYS   4 -20.345  -9.555  -3.180
   25    HG3  LYS   4           HG1      LYS   4 -19.538  -8.818  -1.799
   26    HD2  LYS   4           HD2      LYS   4 -21.866  -8.743  -1.348
   27    HD3  LYS   4           HD1      LYS   4 -21.382  -7.102  -1.777
   28    HE2  LYS   4           HE2      LYS   4 -23.482  -7.687  -2.849
   29    HE3  LYS   4           HE1      LYS   4 -22.216  -7.454  -4.050
   30    HZ1  LYS   4           HZ1      LYS   4 -23.557  -9.397  -4.540
   31    HZ2  LYS   4           HZ2      LYS   4 -23.175 -10.074  -3.039
   32    HZ3  LYS   4           HZ3      LYS   4 -21.964  -9.851  -4.198
   33    H    GLN   5           HN       GLN   5 -18.833  -4.194  -3.931
   34    HA   GLN   5           HA       GLN   5 -16.608  -4.777  -5.738
   35    HB2  GLN   5           HB2      GLN   5 -18.870  -2.794  -5.903
   36    HB3  GLN   5           HB1      GLN   5 -17.444  -2.655  -6.922
   37    HG2  GLN   5           HG2      GLN   5 -19.098  -3.764  -8.193
   38    HG3  GLN   5           HG1      GLN   5 -17.900  -4.972  -7.740
   39   HE21  GLN   5          HE21      GLN   5 -20.390  -3.686  -5.629
   40   HE22  GLN   5          HE22      GLN   5 -21.273  -5.166  -5.468
   41    H    LEU   6           HN       LEU   6 -17.856  -2.370  -3.495
   42    HA   LEU   6           HA       LEU   6 -15.556  -0.707  -3.598
   43    HB2  LEU   6           HB2      LEU   6 -17.568  -0.998  -1.366
   44    HB3  LEU   6           HB1      LEU   6 -16.443   0.328  -1.573
   45    HG   LEU   6           HG       LEU   6 -18.800  -0.337  -3.335
   46   HD11  LEU   6          HD11      LEU   6 -19.369   0.754  -1.232
   47   HD12  LEU   6          HD12      LEU   6 -19.653   1.814  -2.611
   48   HD13  LEU   6          HD13      LEU   6 -18.231   2.050  -1.596
   49   HD21  LEU   6          HD21      LEU   6 -16.731   1.834  -3.656
   50   HD22  LEU   6          HD22      LEU   6 -18.204   1.667  -4.610
   51   HD23  LEU   6          HD23      LEU   6 -16.946   0.437  -4.710
   52    H    GLU   7           HN       GLU   7 -16.646  -3.287  -1.376
   53    HA   GLU   7           HA       GLU   7 -14.305  -3.240   0.214
   54    HB2  GLU   7           HB2      GLU   7 -16.295  -5.449  -0.282
   55    HB3  GLU   7           HB1      GLU   7 -14.967  -5.583   0.861
   56    HG2  GLU   7           HG2      GLU   7 -15.857  -3.641   2.082
   57    HG3  GLU   7           HG1      GLU   7 -17.216  -3.589   0.961
   58    H    ASP   8           HN       ASP   8 -15.092  -4.932  -2.816
   59    HA   ASP   8           HA       ASP   8 -12.796  -6.531  -2.963
   60    HB2  ASP   8           HB2      ASP   8 -14.718  -5.445  -4.892
   61    HB3  ASP   8           HB1      ASP   8 -13.111  -5.700  -5.567
   62    H    LYS   9           HN       LYS   9 -13.253  -3.150  -3.933
   63    HA   LYS   9           HA       LYS   9 -10.682  -2.702  -4.952
   64    HB2  LYS   9           HB2      LYS   9 -12.518  -0.737  -3.569
   65    HB3  LYS   9           HB1      LYS   9 -11.131  -0.310  -4.558
   66    HG2  LYS   9           HG2      LYS   9 -12.210  -1.284  -6.513
   67    HG3  LYS   9           HG1      LYS   9 -13.597  -1.746  -5.521
   68    HD2  LYS   9           HD2      LYS   9 -13.983   0.623  -4.993
   69    HD3  LYS   9           HD1      LYS   9 -12.618   1.065  -6.018
   70    HE2  LYS   9           HE2      LYS   9 -13.784   0.013  -7.936
   71    HE3  LYS   9           HE1      LYS   9 -15.170  -0.281  -6.888
   72    HZ1  LYS   9           HZ1      LYS   9 -14.044   2.368  -7.610
   73    HZ2  LYS   9           HZ2      LYS   9 -15.317   2.127  -6.527
   74    HZ3  LYS   9           HZ3      LYS   9 -15.507   1.717  -8.156
   75    H    VAL  10           HN       VAL  10 -11.963  -2.318  -1.672
   76    HA   VAL  10           HA       VAL  10  -9.747  -1.113  -0.478
   77    HB   VAL  10           HB       VAL  10 -11.417  -3.152   0.965
   78   HG11  VAL  10          HG11      VAL  10 -11.076  -1.660   2.871
   79   HG12  VAL  10          HG12      VAL  10 -10.139  -0.575   1.840
   80   HG13  VAL  10          HG13      VAL  10  -9.546  -2.204   2.182
   81   HG21  VAL  10          HG21      VAL  10 -13.127  -1.570   1.402
   82   HG22  VAL  10          HG22      VAL  10 -12.897  -1.618  -0.347
   83   HG23  VAL  10          HG23      VAL  10 -12.227  -0.288   0.599
   84    H    GLU  11           HN       GLU  11 -10.599  -4.563  -0.647
   85    HA   GLU  11           HA       GLU  11  -8.295  -5.421   0.789
   86    HB2  GLU  11           HB2      GLU  11 -10.611  -6.582   0.360
   87    HB3  GLU  11           HB1      GLU  11  -9.835  -7.201  -1.086
   88    HG2  GLU  11           HG2      GLU  11  -8.728  -7.585   1.682
   89    HG3  GLU  11           HG1      GLU  11  -9.823  -8.723   0.905
   90    H    GLU  12           HN       GLU  12  -8.968  -4.899  -2.627
   91    HA   GLU  12           HA       GLU  12  -6.705  -6.251  -3.647
   92    HB2  GLU  12           HB2      GLU  12  -8.330  -3.956  -4.730
   93    HB3  GLU  12           HB1      GLU  12  -6.979  -4.656  -5.608
   94    HG2  GLU  12           HG2      GLU  12  -8.090  -6.814  -5.634
   95    HG3  GLU  12           HG1      GLU  12  -9.437  -6.140  -4.716
   96    H    LEU  13           HN       LEU  13  -7.234  -2.886  -2.660
   97    HA   LEU  13           HA       LEU  13  -4.531  -2.099  -3.065
   98    HB2  LEU  13           HB2      LEU  13  -6.673  -0.930  -1.290
   99    HB3  LEU  13           HB1      LEU  13  -5.114  -0.183  -1.580
  100    HG   LEU  13           HG       LEU  13  -7.272  -0.671  -3.630
  101   HD11  LEU  13          HD11      LEU  13  -7.722   1.162  -2.078
  102   HD12  LEU  13          HD12      LEU  13  -7.411   1.748  -3.712
  103   HD13  LEU  13          HD13      LEU  13  -6.160   1.878  -2.475
  104   HD21  LEU  13          HD21      LEU  13  -5.116  -0.953  -4.673
  105   HD22  LEU  13          HD22      LEU  13  -4.523   0.531  -3.930
  106   HD23  LEU  13          HD23      LEU  13  -5.793   0.603  -5.151
  107    H    LEU  14           HN       LEU  14  -6.244  -3.717  -0.533
  108    HA   LEU  14           HA       LEU  14  -4.327  -3.452   1.529
  109    HB2  LEU  14           HB2      LEU  14  -6.758  -4.327   1.613
  110    HB3  LEU  14           HB1      LEU  14  -6.074  -5.859   1.116
  111    HG   LEU  14           HG       LEU  14  -4.596  -5.772   3.148
  112   HD11  LEU  14          HD11      LEU  14  -4.716  -3.372   3.569
  113   HD12  LEU  14          HD12      LEU  14  -5.264  -4.294   4.969
  114   HD13  LEU  14          HD13      LEU  14  -6.443  -3.521   3.910
  115   HD21  LEU  14          HD21      LEU  14  -6.374  -6.474   4.678
  116   HD22  LEU  14          HD22      LEU  14  -6.591  -7.158   3.068
  117   HD23  LEU  14          HD23      LEU  14  -7.578  -5.790   3.585
  118    H    SER  15           HN       SER  15  -4.745  -5.698  -1.125
  119    HA   SER  15           HA       SER  15  -2.646  -7.468  -0.420
  120    HB2  SER  15           HB2      SER  15  -3.839  -6.936  -3.156
  121    HB3  SER  15           HB1      SER  15  -2.899  -8.352  -2.684
  122    HG   SER  15           HG       SER  15  -5.488  -8.070  -2.533
  123    H    LYS  16           HN       LYS  16  -2.886  -4.577  -2.442
  124    HA   LYS  16           HA       LYS  16  -0.161  -4.574  -3.218
  125    HB2  LYS  16           HB2      LYS  16  -2.183  -2.336  -3.034
  126    HB3  LYS  16           HB1      LYS  16  -0.523  -2.101  -3.576
  127    HG2  LYS  16           HG2      LYS  16  -0.860  -3.481  -5.473
  128    HG3  LYS  16           HG1      LYS  16  -2.406  -4.062  -4.861
  129    HD2  LYS  16           HD2      LYS  16  -2.655  -2.401  -6.673
  130    HD3  LYS  16           HD1      LYS  16  -3.396  -1.882  -5.164
  131    HE2  LYS  16           HE2      LYS  16  -2.142  -0.095  -6.362
  132    HE3  LYS  16           HE1      LYS  16  -1.597  -0.372  -4.710
  133    HZ1  LYS  16           HZ1      LYS  16  -0.290  -1.371  -7.189
  134    HZ2  LYS  16           HZ2      LYS  16   0.237  -1.705  -5.618
  135    HZ3  LYS  16           HZ3      LYS  16   0.271  -0.118  -6.202
  136    H    ASN  17           HN       ASN  17  -1.909  -3.232  -0.442
  137    HA   ASN  17           HA       ASN  17   0.236  -1.906   0.775
  138    HB2  ASN  17           HB2      ASN  17  -2.335  -3.051   1.723
  139    HB3  ASN  17           HB1      ASN  17  -1.097  -2.786   2.945
  140   HD21  ASN  17          HD21      ASN  17  -3.263  -1.302   0.692
  141   HD22  ASN  17          HD22      ASN  17  -3.066   0.319   1.267
  142    H    TYR  18           HN       TYR  18  -0.803  -5.283   0.853
  143    HA   TYR  18           HA       TYR  18   1.177  -6.222   2.622
  144    HB2  TYR  18           HB2      TYR  18  -0.727  -7.595   1.885
  145    HB3  TYR  18           HB1      TYR  18  -0.073  -7.636   0.253
  146    HD1  TYR  18           HD1      TYR  18   0.448  -8.791   3.719
  147    HD2  TYR  18           HD2      TYR  18   1.656  -9.167  -0.341
  148    HE1  TYR  18           HE1      TYR  18   1.707 -10.826   4.286
  149    HE2  TYR  18           HE2      TYR  18   2.916 -11.201   0.215
  150    HH   TYR  18           HH       TYR  18   2.615 -12.767   3.278
  151    H    HIS  19           HN       HIS  19   1.177  -6.043  -0.922
  152    HA   HIS  19           HA       HIS  19   3.750  -7.055  -1.343
  153    HB2  HIS  19           HB2      HIS  19   2.076  -6.876  -3.119
  154    HB3  HIS  19           HB1      HIS  19   2.161  -5.121  -3.041
  155    HD1  HIS  19           HD1      HIS  19   3.412  -4.245  -4.967
  156    HD2  HIS  19           HD2      HIS  19   4.969  -7.867  -3.652
  157    HE1  HIS  19           HE1      HIS  19   5.370  -4.721  -6.467
  158    HE2  HIS  19           HE2      HIS  19   6.201  -6.989  -5.747
  159    H    LEU  20           HN       LEU  20   2.685  -3.647  -1.255
  160    HA   LEU  20           HA       LEU  20   5.204  -2.487  -1.676
  161    HB2  LEU  20           HB2      LEU  20   2.985  -1.334  -0.003
  162    HB3  LEU  20           HB1      LEU  20   4.251  -0.433  -0.805
  163    HG   LEU  20           HG       LEU  20   1.916  -1.832  -2.002
  164   HD11  LEU  20          HD11      LEU  20   1.444   0.374  -2.948
  165   HD12  LEU  20          HD12      LEU  20   2.850   1.013  -2.092
  166   HD13  LEU  20          HD13      LEU  20   1.477   0.376  -1.186
  167   HD21  LEU  20          HD21      LEU  20   2.789  -1.193  -4.222
  168   HD22  LEU  20          HD22      LEU  20   3.806  -2.384  -3.411
  169   HD23  LEU  20          HD23      LEU  20   4.295  -0.690  -3.452
  170    H    GLU  21           HN       GLU  21   3.428  -2.930   1.361
  171    HA   GLU  21           HA       GLU  21   5.425  -1.895   3.034
  172    HB2  GLU  21           HB2      GLU  21   2.889  -2.779   3.438
  173    HB3  GLU  21           HB1      GLU  21   3.809  -4.076   4.184
  174    HG2  GLU  21           HG2      GLU  21   3.984  -1.151   4.874
  175    HG3  GLU  21           HG1      GLU  21   3.180  -2.399   5.818
  176    H    ASN  22           HN       ASN  22   4.878  -5.224   1.930
  177    HA   ASN  22           HA       ASN  22   6.983  -6.351   3.475
  178    HB2  ASN  22           HB2      ASN  22   5.464  -7.277   1.057
  179    HB3  ASN  22           HB1      ASN  22   6.876  -8.167   1.610
  180   HD21  ASN  22          HD21      ASN  22   4.659  -6.514   3.762
  181   HD22  ASN  22          HD22      ASN  22   3.998  -7.941   4.478
  182    H    GLU  23           HN       GLU  23   6.808  -4.898   0.268
  183    HA   GLU  23           HA       GLU  23   9.468  -5.558  -0.487
  184    HB2  GLU  23           HB2      GLU  23   7.659  -4.819  -2.059
  185    HB3  GLU  23           HB1      GLU  23   7.834  -3.191  -1.418
  186    HG2  GLU  23           HG2      GLU  23   9.027  -3.413  -3.507
  187    HG3  GLU  23           HG1      GLU  23  10.156  -3.144  -2.180
  188    H    VAL  24           HN       VAL  24   8.021  -2.746   1.113
  189    HA   VAL  24           HA       VAL  24  10.306  -1.157   1.364
  190    HB   VAL  24           HB       VAL  24   8.086  -1.442   3.412
  191   HG11  VAL  24          HG11      VAL  24  10.071  -0.318   4.287
  192   HG12  VAL  24          HG12      VAL  24   8.723   0.806   4.117
  193   HG13  VAL  24          HG13      VAL  24  10.031   0.811   2.933
  194   HG21  VAL  24          HG21      VAL  24   7.055   0.485   2.328
  195   HG22  VAL  24          HG22      VAL  24   7.199  -0.871   1.209
  196   HG23  VAL  24          HG23      VAL  24   8.325   0.483   1.103
  197    H    ALA  25           HN       ALA  25   8.998  -3.630   3.543
  198    HA   ALA  25           HA       ALA  25  10.926  -3.449   5.552
  199    HB1  ALA  25           HB1      ALA  25   8.803  -4.635   5.828
  200    HB2  ALA  25           HB2      ALA  25  10.168  -5.675   6.239
  201    HB3  ALA  25           HB3      ALA  25   9.342  -5.873   4.694
  202    H    ARG  26           HN       ARG  26  10.889  -5.335   2.568
  203    HA   ARG  26           HA       ARG  26  13.236  -6.821   3.108
  204    HB2  ARG  26           HB2      ARG  26  11.616  -7.469   1.367
  205    HB3  ARG  26           HB1      ARG  26  12.046  -6.041   0.437
  206    HG2  ARG  26           HG2      ARG  26  13.142  -7.981  -0.481
  207    HG3  ARG  26           HG1      ARG  26  14.342  -6.896   0.223
  208    HD2  ARG  26           HD2      ARG  26  14.355  -8.298   2.260
  209    HD3  ARG  26           HD1      ARG  26  13.227  -9.402   1.477
  210    HE   ARG  26           HE       ARG  26  15.451  -9.087  -0.190
  211   HH11  ARG  26          HH11      ARG  26  14.627 -10.486   2.910
  212   HH12  ARG  26          HH12      ARG  26  15.889 -11.672   2.851
  213   HH21  ARG  26          HH21      ARG  26  17.105 -10.649  -0.275
  214   HH22  ARG  26          HH22      ARG  26  17.294 -11.775   1.030
  215    H    LEU  27           HN       LEU  27  12.685  -3.893   1.164
  216    HA   LEU  27           HA       LEU  27  15.366  -3.407   0.496
  217    HB2  LEU  27           HB2      LEU  27  12.874  -1.799   0.577
  218    HB3  LEU  27           HB1      LEU  27  14.383  -0.926   0.540
  219    HG   LEU  27           HG       LEU  27  14.947  -1.714  -1.594
  220   HD11  LEU  27          HD11      LEU  27  12.727  -3.740  -1.350
  221   HD12  LEU  27          HD12      LEU  27  14.454  -4.082  -1.260
  222   HD13  LEU  27          HD13      LEU  27  13.750  -3.492  -2.764
  223   HD21  LEU  27          HD21      LEU  27  13.185  -0.050  -1.641
  224   HD22  LEU  27          HD22      LEU  27  11.965  -1.319  -1.558
  225   HD23  LEU  27          HD23      LEU  27  13.005  -1.187  -2.976
  226    H    LYS  28           HN       LYS  28  13.460  -2.503   3.305
  227    HA   LYS  28           HA       LYS  28  15.266  -0.657   4.400
  228    HB2  LYS  28           HB2      LYS  28  12.876  -0.938   5.074
  229    HB3  LYS  28           HB1      LYS  28  13.328  -2.419   5.902
  230    HG2  LYS  28           HG2      LYS  28  13.174  -0.731   7.546
  231    HG3  LYS  28           HG1      LYS  28  14.891  -1.047   7.306
  232    HD2  LYS  28           HD2      LYS  28  13.642   1.115   5.693
  233    HD3  LYS  28           HD1      LYS  28  13.896   1.419   7.408
  234    HE2  LYS  28           HE2      LYS  28  16.020   0.602   5.426
  235    HE3  LYS  28           HE1      LYS  28  15.771   2.222   6.062
  236    HZ1  LYS  28           HZ1      LYS  28  17.551   1.111   7.223
  237    HZ2  LYS  28           HZ2      LYS  28  16.532  -0.171   7.644
  238    HZ3  LYS  28           HZ3      LYS  28  16.255   1.371   8.278
  239    H    LYS  29           HN       LYS  29  15.214  -4.127   4.395
  240    HA   LYS  29           HA       LYS  29  17.137  -4.419   6.512
  241    HB2  LYS  29           HB2      LYS  29  16.172  -6.363   4.411
  242    HB3  LYS  29           HB1      LYS  29  17.262  -6.783   5.726
  243    HG2  LYS  29           HG2      LYS  29  15.549  -6.183   7.351
  244    HG3  LYS  29           HG1      LYS  29  14.454  -5.741   6.036
  245    HD2  LYS  29           HD2      LYS  29  14.493  -8.038   5.219
  246    HD3  LYS  29           HD1      LYS  29  15.620  -8.483   6.512
  247    HE2  LYS  29           HE2      LYS  29  13.321  -9.122   7.059
  248    HE3  LYS  29           HE1      LYS  29  13.946  -7.918   8.184
  249    HZ1  LYS  29           HZ1      LYS  29  12.155  -7.360   5.885
  250    HZ2  LYS  29           HZ2      LYS  29  12.736  -6.212   6.983
  251    HZ3  LYS  29           HZ3      LYS  29  11.678  -7.426   7.506
  252    H    LEU  30           HN       LEU  30  17.214  -4.179   3.019
  253    HA   LEU  30           HA       LEU  30  20.004  -4.715   2.766
  254    HB2  LEU  30           HB2      LEU  30  17.927  -3.512   0.969
  255    HB3  LEU  30           HB1      LEU  30  19.622  -3.417   0.533
  256    HG   LEU  30           HG       LEU  30  19.746  -5.897   0.616
  257   HD11  LEU  30          HD11      LEU  30  17.689  -7.203   0.632
  258   HD12  LEU  30          HD12      LEU  30  16.760  -5.741   0.962
  259   HD13  LEU  30          HD13      LEU  30  17.917  -6.338   2.152
  260   HD21  LEU  30          HD21      LEU  30  17.664  -4.756  -1.237
  261   HD22  LEU  30          HD22      LEU  30  18.521  -6.280  -1.465
  262   HD23  LEU  30          HD23      LEU  30  19.409  -4.758  -1.497
  263    H    VAL  31           HN       VAL  31  18.026  -1.837   3.149
  264    HA   VAL  31           HA       VAL  31  20.399  -0.168   3.462
  265    HB   VAL  31           HB       VAL  31  17.543   0.685   3.951
  266   HG11  VAL  31          HG11      VAL  31  19.285   2.201   4.746
  267   HG12  VAL  31          HG12      VAL  31  18.387   2.907   3.403
  268   HG13  VAL  31          HG13      VAL  31  19.996   2.237   3.132
  269   HG21  VAL  31          HG21      VAL  31  17.624  -0.280   1.722
  270   HG22  VAL  31          HG22      VAL  31  19.026   0.714   1.324
  271   HG23  VAL  31          HG23      VAL  31  17.464   1.474   1.630
  272    H    GLY  32           HN       GLY  32  19.921  -2.410   5.188
  273    HA2  GLY  32           HA2      GLY  32  19.716  -1.014   7.774
  274    HA3  GLY  32           HA1      GLY  32  18.903  -2.551   7.502
  275    H    GLU  33           HN       GLU  33  20.629  -4.126   6.312
  276    HA   GLU  33           HA       GLU  33  23.032  -4.107   8.014
  277    HB2  GLU  33           HB2      GLU  33  21.380  -5.870   8.628
  278    HB3  GLU  33           HB1      GLU  33  21.523  -6.530   7.006
  279    HG2  GLU  33           HG2      GLU  33  22.846  -7.836   8.519
  280    HG3  GLU  33           HG1      GLU  33  23.915  -6.959   7.425
  281    H1   GLY   1           HT1      GLY   1 -22.760   3.770   6.601
  282    H2   GLY   1           HT2      GLY   1 -23.248   2.210   7.027
  283    H3   GLY   1           HT3      GLY   1 -24.381   3.464   6.970
  284    HA2  GLY   1           HA1      GLY   1 -24.601   2.055   5.034
  285    HA3  GLY   1           HA2      GLY   1 -24.081   3.673   4.588
  286    H    SER   2           HN       SER   2 -23.505   2.182   2.648
  287    HA   SER   2           HA       SER   2 -20.982   0.792   3.068
  288    HB2  SER   2           HB2      SER   2 -21.410   0.197   0.571
  289    HB3  SER   2           HB1      SER   2 -22.418  -0.544   1.818
  290    HG   SER   2           HG       SER   2 -23.965   0.235   0.610
  291    H    MET   3           HN       MET   3 -22.225   3.031   0.570
  292    HA   MET   3           HA       MET   3 -20.004   3.369  -0.900
  293    HB2  MET   3           HB2      MET   3 -22.058   5.455  -0.214
  294    HB3  MET   3           HB1      MET   3 -20.798   5.722  -1.410
  295    HG2  MET   3           HG2      MET   3 -22.725   5.089  -2.595
  296    HG3  MET   3           HG1      MET   3 -21.647   3.695  -2.614
  297    HE1  MET   3           HE1      MET   3 -24.745   3.529  -3.372
  298    HE2  MET   3           HE2      MET   3 -25.164   2.020  -2.559
  299    HE3  MET   3           HE3      MET   3 -23.621   2.172  -3.402
  300    H    LYS   4           HN       LYS   4 -20.672   5.566   1.879
  301    HA   LYS   4           HA       LYS   4 -18.243   6.987   1.259
  302    HB2  LYS   4           HB2      LYS   4 -20.297   7.337   3.427
  303    HB3  LYS   4           HB1      LYS   4 -18.812   8.274   3.385
  304    HG2  LYS   4           HG2      LYS   4 -20.366   9.660   2.363
  305    HG3  LYS   4           HG1      LYS   4 -19.514   8.925   1.007
  306    HD2  LYS   4           HD2      LYS   4 -21.823   8.873   0.471
  307    HD3  LYS   4           HD1      LYS   4 -21.370   7.226   0.907
  308    HE2  LYS   4           HE2      LYS   4 -23.502   7.815   1.910
  309    HE3  LYS   4           HE1      LYS   4 -22.280   7.580   3.157
  310    HZ1  LYS   4           HZ1      LYS   4 -23.630   9.530   3.592
  311    HZ2  LYS   4           HZ2      LYS   4 -23.189  10.202   2.105
  312    HZ3  LYS   4           HZ3      LYS   4 -22.025   9.976   3.309
  313    H    GLN   5           HN       GLN   5 -18.933   4.278   3.125
  314    HA   GLN   5           HA       GLN   5 -16.775   4.830   5.025
  315    HB2  GLN   5           HB2      GLN   5 -19.060   2.866   5.090
  316    HB3  GLN   5           HB1      GLN   5 -17.675   2.707   6.159
  317    HG2  GLN   5           HG2      GLN   5 -19.370   3.826   7.373
  318    HG3  GLN   5           HG1      GLN   5 -18.142   5.023   6.976
  319   HE21  GLN   5          HE21      GLN   5 -20.552   3.765   4.765
  320   HE22  GLN   5          HE22      GLN   5 -21.409   5.254   4.564
  321    H    LEU   6           HN       LEU   6 -17.951   2.452   2.712
  322    HA   LEU   6           HA       LEU   6 -15.674   0.767   2.898
  323    HB2  LEU   6           HB2      LEU   6 -17.592   1.090   0.589
  324    HB3  LEU   6           HB1      LEU   6 -16.488  -0.248   0.833
  325    HG   LEU   6           HG       LEU   6 -18.909   0.427   2.504
  326   HD11  LEU   6          HD11      LEU   6 -19.404  -0.645   0.373
  327   HD12  LEU   6          HD12      LEU   6 -19.748  -1.713   1.732
  328   HD13  LEU   6          HD13      LEU   6 -18.291  -1.953   0.770
  329   HD21  LEU   6          HD21      LEU   6 -16.871  -1.764   2.890
  330   HD22  LEU   6          HD22      LEU   6 -18.380  -1.594   3.786
  331   HD23  LEU   6          HD23      LEU   6 -17.119  -0.374   3.947
  332    H    GLU   7           HN       GLU   7 -16.649   3.372   0.655
  333    HA   GLU   7           HA       GLU   7 -14.247   3.318  -0.837
  334    HB2  GLU   7           HB2      GLU   7 -16.234   5.545  -0.404
  335    HB3  GLU   7           HB1      GLU   7 -14.858   5.672  -1.492
  336    HG2  GLU   7           HG2      GLU   7 -15.718   3.754  -2.767
  337    HG3  GLU   7           HG1      GLU   7 -17.119   3.700  -1.701
  338    H    ASP   8           HN       ASP   8 -15.142   4.993   2.172
  339    HA   ASP   8           HA       ASP   8 -12.839   6.569   2.422
  340    HB2  ASP   8           HB2      ASP   8 -14.846   5.495   4.267
  341    HB3  ASP   8           HB1      ASP   8 -13.265   5.730   5.006
  342    H    LYS   9           HN       LYS   9 -13.362   3.186   3.335
  343    HA   LYS   9           HA       LYS   9 -10.842   2.709   4.467
  344    HB2  LYS   9           HB2      LYS   9 -12.643   0.775   2.995
  345    HB3  LYS   9           HB1      LYS   9 -11.298   0.323   4.031
  346    HG2  LYS   9           HG2      LYS   9 -12.440   1.291   5.955
  347    HG3  LYS   9           HG1      LYS   9 -13.783   1.775   4.916
  348    HD2  LYS   9           HD2      LYS   9 -14.171  -0.583   4.348
  349    HD3  LYS   9           HD1      LYS   9 -12.851  -1.050   5.421
  350    HE2  LYS   9           HE2      LYS   9 -14.081  -0.003   7.302
  351    HE3  LYS   9           HE1      LYS   9 -15.425   0.311   6.203
  352    HZ1  LYS   9           HZ1      LYS   9 -14.345  -2.350   6.950
  353    HZ2  LYS   9           HZ2      LYS   9 -15.563  -2.096   5.809
  354    HZ3  LYS   9           HZ3      LYS   9 -15.829  -1.697   7.428
  355    H    VAL  10           HN       VAL  10 -11.988   2.366   1.135
  356    HA   VAL  10           HA       VAL  10  -9.736   1.148   0.020
  357    HB   VAL  10           HB       VAL  10 -11.333   3.212  -1.475
  358   HG11  VAL  10          HG11      VAL  10 -10.928   1.727  -3.375
  359   HG12  VAL  10          HG12      VAL  10 -10.042   0.627  -2.315
  360   HG13  VAL  10          HG13      VAL  10  -9.422   2.252  -2.622
  361   HG21  VAL  10          HG21      VAL  10 -13.035   1.646  -1.990
  362   HG22  VAL  10          HG22      VAL  10 -12.876   1.679  -0.234
  363   HG23  VAL  10          HG23      VAL  10 -12.178   0.351  -1.161
  364    H    GLU  11           HN       GLU  11 -10.569   4.604   0.175
  365    HA   GLU  11           HA       GLU  11  -8.200   5.453  -1.151
  366    HB2  GLU  11           HB2      GLU  11 -10.521   6.632  -0.803
  367    HB3  GLU  11           HB1      GLU  11  -9.793   7.235   0.675
  368    HG2  GLU  11           HG2      GLU  11  -8.574   7.625  -2.046
  369    HG3  GLU  11           HG1      GLU  11  -9.692   8.764  -1.308
  370    H    GLU  12           HN       GLU  12  -9.013   4.905   2.230
  371    HA   GLU  12           HA       GLU  12  -6.786   6.236   3.356
  372    HB2  GLU  12           HB2      GLU  12  -8.471   3.943   4.352
  373    HB3  GLU  12           HB1      GLU  12  -7.149   4.625   5.291
  374    HG2  GLU  12           HG2      GLU  12  -8.249   6.792   5.287
  375    HG3  GLU  12           HG1      GLU  12  -9.563   6.132   4.315
  376    H    LEU  13           HN       LEU  13  -7.299   2.885   2.313
  377    HA   LEU  13           HA       LEU  13  -4.624   2.068   2.827
  378    HB2  LEU  13           HB2      LEU  13  -6.701   0.933   0.956
  379    HB3  LEU  13           HB1      LEU  13  -5.163   0.168   1.305
  380    HG   LEU  13           HG       LEU  13  -7.398   0.664   3.270
  381   HD11  LEU  13          HD11      LEU  13  -7.800  -1.155   1.685
  382   HD12  LEU  13          HD12      LEU  13  -7.560  -1.754   3.327
  383   HD13  LEU  13          HD13      LEU  13  -6.261  -1.885   2.140
  384   HD21  LEU  13          HD21      LEU  13  -5.285   0.917   4.402
  385   HD22  LEU  13          HD22      LEU  13  -4.673  -0.565   3.667
  386   HD23  LEU  13          HD23      LEU  13  -5.992  -0.638   4.835
  387    H    LEU  14           HN       LEU  14  -6.216   3.717   0.237
  388    HA   LEU  14           HA       LEU  14  -4.221   3.456  -1.750
  389    HB2  LEU  14           HB2      LEU  14  -6.641   4.353  -1.925
  390    HB3  LEU  14           HB1      LEU  14  -5.966   5.875  -1.387
  391    HG   LEU  14           HG       LEU  14  -4.404   5.793  -3.355
  392   HD11  LEU  14          HD11      LEU  14  -4.525   3.395  -3.801
  393   HD12  LEU  14          HD12      LEU  14  -5.011   4.332  -5.215
  394   HD13  LEU  14          HD13      LEU  14  -6.236   3.560  -4.208
  395   HD21  LEU  14          HD21      LEU  14  -6.111   6.520  -4.954
  396   HD22  LEU  14          HD22      LEU  14  -6.391   7.194  -3.347
  397   HD23  LEU  14          HD23      LEU  14  -7.365   5.839  -3.918
  398    H    SER  15           HN       SER  15  -4.726   5.687   0.902
  399    HA   SER  15           HA       SER  15  -2.582   7.438   0.299
  400    HB2  SER  15           HB2      SER  15  -3.888   6.903   2.980
  401    HB3  SER  15           HB1      SER  15  -2.926   8.316   2.547
  402    HG   SER  15           HG       SER  15  -5.503   8.052   2.299
  403    H    LYS  16           HN       LYS  16  -2.931   4.527   2.271
  404    HA   LYS  16           HA       LYS  16  -0.242   4.504   3.173
  405    HB2  LYS  16           HB2      LYS  16  -2.275   2.287   2.892
  406    HB3  LYS  16           HB1      LYS  16  -0.641   2.031   3.499
  407    HG2  LYS  16           HG2      LYS  16  -1.044   3.409   5.389
  408    HG3  LYS  16           HG1      LYS  16  -2.561   4.001   4.716
  409    HD2  LYS  16           HD2      LYS  16  -2.884   2.330   6.511
  410    HD3  LYS  16           HD1      LYS  16  -3.577   1.830   4.971
  411    HE2  LYS  16           HE2      LYS  16  -2.384   0.021   6.193
  412    HE3  LYS  16           HE1      LYS  16  -1.771   0.312   4.568
  413    HZ1  LYS  16           HZ1      LYS  16  -0.551   1.271   7.103
  414    HZ2  LYS  16           HZ2      LYS  16   0.037   1.616   5.560
  415    HZ3  LYS  16           HZ3      LYS  16   0.036   0.025   6.125
  416    H    ASN  17           HN       ASN  17  -1.886   3.200   0.319
  417    HA   ASN  17           HA       ASN  17   0.292   1.861  -0.819
  418    HB2  ASN  17           HB2      ASN  17  -2.226   3.041  -1.861
  419    HB3  ASN  17           HB1      ASN  17  -0.942   2.777  -3.034
  420   HD21  ASN  17          HD21      ASN  17  -3.210   1.290  -0.886
  421   HD22  ASN  17          HD22      ASN  17  -3.003  -0.328  -1.465
  422    H    TYR  18           HN       TYR  18  -0.714   5.248  -0.926
  423    HA   TYR  18           HA       TYR  18   1.346   6.185  -2.595
  424    HB2  TYR  18           HB2      TYR  18  -0.578   7.565  -1.925
  425    HB3  TYR  18           HB1      TYR  18   0.009   7.587  -0.266
  426    HD1  TYR  18           HD1      TYR  18   0.686   8.764  -3.699
  427    HD2  TYR  18           HD2      TYR  18   1.720   9.104   0.414
  428    HE1  TYR  18           HE1      TYR  18   1.986  10.790  -4.197
  429    HE2  TYR  18           HE2      TYR  18   3.023  11.131  -0.075
  430    HH   TYR  18           HH       TYR  18   2.859  12.724  -3.130
  431    H    HIS  19           HN       HIS  19   1.199   5.984   0.947
  432    HA   HIS  19           HA       HIS  19   3.762   6.964   1.478
  433    HB2  HIS  19           HB2      HIS  19   2.019   6.788   3.185
  434    HB3  HIS  19           HB1      HIS  19   2.086   5.032   3.097
  435    HD1  HIS  19           HD1      HIS  19   3.263   4.121   5.061
  436    HD2  HIS  19           HD2      HIS  19   4.886   7.750   3.850
  437    HE1  HIS  19           HE1      HIS  19   5.161   4.575   6.646
  438    HE2  HIS  19           HE2      HIS  19   6.035   6.841   5.980
  439    H    LEU  20           HN       LEU  20   2.671   3.567   1.320
  440    HA   LEU  20           HA       LEU  20   5.162   2.383   1.831
  441    HB2  LEU  20           HB2      LEU  20   3.000   1.263   0.061
  442    HB3  LEU  20           HB1      LEU  20   4.226   0.345   0.904
  443    HG   LEU  20           HG       LEU  20   1.858   1.757   2.018
  444   HD11  LEU  20          HD11      LEU  20   1.329  -0.453   2.930
  445   HD12  LEU  20          HD12      LEU  20   2.761  -1.099   2.128
  446   HD13  LEU  20          HD13      LEU  20   1.434  -0.444   1.170
  447   HD21  LEU  20          HD21      LEU  20   2.637   1.090   4.267
  448   HD22  LEU  20          HD22      LEU  20   3.695   2.279   3.508
  449   HD23  LEU  20          HD23      LEU  20   4.167   0.580   3.554
  450    H    GLU  21           HN       GLU  21   3.513   2.878  -1.271
  451    HA   GLU  21           HA       GLU  21   5.568   1.826  -2.866
  452    HB2  GLU  21           HB2      GLU  21   3.059   2.735  -3.370
  453    HB3  GLU  21           HB1      GLU  21   4.018   4.030  -4.069
  454    HG2  GLU  21           HG2      GLU  21   4.203   1.107  -4.767
  455    HG3  GLU  21           HG1      GLU  21   3.442   2.364  -5.737
  456    H    ASN  22           HN       ASN  22   5.007   5.152  -1.760
  457    HA   ASN  22           HA       ASN  22   7.182   6.274  -3.207
  458    HB2  ASN  22           HB2      ASN  22   5.579   7.195  -0.840
  459    HB3  ASN  22           HB1      ASN  22   7.016   8.080  -1.338
  460   HD21  ASN  22          HD21      ASN  22   4.873   6.445  -3.577
  461   HD22  ASN  22          HD22      ASN  22   4.245   7.878  -4.311
  462    H    GLU  23           HN       GLU  23   6.865   4.792  -0.025
  463    HA   GLU  23           HA       GLU  23   9.497   5.418   0.842
  464    HB2  GLU  23           HB2      GLU  23   7.618   4.685   2.331
  465    HB3  GLU  23           HB1      GLU  23   7.811   3.060   1.687
  466    HG2  GLU  23           HG2      GLU  23   8.921   3.256   3.818
  467    HG3  GLU  23           HG1      GLU  23  10.104   3.000   2.538
  468    H    VAL  24           HN       VAL  24   8.092   2.635  -0.840
  469    HA   VAL  24           HA       VAL  24  10.373   1.030  -1.012
  470    HB   VAL  24           HB       VAL  24   8.237   1.348  -3.143
  471   HG11  VAL  24          HG11      VAL  24  10.246   0.215  -3.948
  472   HG12  VAL  24          HG12      VAL  24   8.883  -0.899  -3.838
  473   HG13  VAL  24          HG13      VAL  24  10.144  -0.924  -2.604
  474   HG21  VAL  24          HG21      VAL  24   7.151  -0.578  -2.117
  475   HG22  VAL  24          HG22      VAL  24   7.258   0.767  -0.981
  476   HG23  VAL  24          HG23      VAL  24   8.369  -0.598  -0.843
  477    H    ALA  25           HN       ALA  25   9.174   3.534  -3.220
  478    HA   ALA  25           HA       ALA  25  11.182   3.351  -5.152
  479    HB1  ALA  25           HB1      ALA  25   9.080   4.557  -5.502
  480    HB2  ALA  25           HB2      ALA  25  10.469   5.588  -5.848
  481    HB3  ALA  25           HB3      ALA  25   9.584   5.778  -4.336
  482    H    ARG  26           HN       ARG  26  11.036   5.221  -2.158
  483    HA   ARG  26           HA       ARG  26  13.420   6.684  -2.587
  484    HB2  ARG  26           HB2      ARG  26  11.733   7.328  -0.908
  485    HB3  ARG  26           HB1      ARG  26  12.118   5.889   0.026
  486    HG2  ARG  26           HG2      ARG  26  13.186   7.812   1.003
  487    HG3  ARG  26           HG1      ARG  26  14.407   6.726   0.339
  488    HD2  ARG  26           HD2      ARG  26  14.514   8.145  -1.682
  489    HD3  ARG  26           HD1      ARG  26  13.363   9.252  -0.937
  490    HE   ARG  26           HE       ARG  26  15.511   8.905   0.818
  491   HH11  ARG  26          HH11      ARG  26  14.842  10.328  -2.305
  492   HH12  ARG  26          HH12      ARG  26  16.111  11.502  -2.188
  493   HH21  ARG  26          HH21      ARG  26  17.181  10.460   0.986
  494   HH22  ARG  26          HH22      ARG  26  17.436  11.585  -0.309
  495    H    LEU  27           HN       LEU  27  12.765   3.750  -0.686
  496    HA   LEU  27           HA       LEU  27  15.411   3.234   0.083
  497    HB2  LEU  27           HB2      LEU  27  12.913   1.647  -0.110
  498    HB3  LEU  27           HB1      LEU  27  14.412   0.761  -0.019
  499    HG   LEU  27           HG       LEU  27  14.895   1.532   2.141
  500   HD11  LEU  27          HD11      LEU  27  12.703   3.578   1.817
  501   HD12  LEU  27          HD12      LEU  27  14.436   3.906   1.803
  502   HD13  LEU  27          HD13      LEU  27  13.662   3.314   3.273
  503   HD21  LEU  27          HD21      LEU  27  13.120  -0.120   2.103
  504   HD22  LEU  27          HD22      LEU  27  11.913   1.159   1.981
  505   HD23  LEU  27          HD23      LEU  27  12.893   1.008   3.439
  506    H    LYS  28           HN       LYS  28  13.612   2.364  -2.807
  507    HA   LYS  28           HA       LYS  28  15.443   0.507  -3.842
  508    HB2  LYS  28           HB2      LYS  28  13.089   0.820  -4.613
  509    HB3  LYS  28           HB1      LYS  28  13.589   2.303  -5.410
  510    HG2  LYS  28           HG2      LYS  28  13.493   0.629  -7.071
  511    HG3  LYS  28           HG1      LYS  28  15.200   0.923  -6.752
  512    HD2  LYS  28           HD2      LYS  28  13.863  -1.232  -5.206
  513    HD3  LYS  28           HD1      LYS  28  14.175  -1.530  -6.913
  514    HE2  LYS  28           HE2      LYS  28  16.235  -0.747  -4.851
  515    HE3  LYS  28           HE1      LYS  28  15.993  -2.362  -5.501
  516    HZ1  LYS  28           HZ1      LYS  28  17.826  -1.271  -6.590
  517    HZ2  LYS  28           HZ2      LYS  28  16.843   0.028  -7.038
  518    HZ3  LYS  28           HZ3      LYS  28  16.567  -1.504  -7.697
  519    H    LYS  29           HN       LYS  29  15.421   3.980  -3.817
  520    HA   LYS  29           HA       LYS  29  17.431   4.274  -5.848
  521    HB2  LYS  29           HB2      LYS  29  16.397   6.207  -3.770
  522    HB3  LYS  29           HB1      LYS  29  17.545   6.630  -5.034
  523    HG2  LYS  29           HG2      LYS  29  15.895   6.058  -6.736
  524    HG3  LYS  29           HG1      LYS  29  14.743   5.614  -5.472
  525    HD2  LYS  29           HD2      LYS  29  14.768   7.905  -4.633
  526    HD3  LYS  29           HD1      LYS  29  15.951   8.352  -5.874
  527    HE2  LYS  29           HE2      LYS  29  13.683   9.019  -6.510
  528    HE3  LYS  29           HE1      LYS  29  14.341   7.817  -7.619
  529    HZ1  LYS  29           HZ1      LYS  29  12.441   7.267  -5.403
  530    HZ2  LYS  29           HZ2      LYS  29  13.065   6.114  -6.472
  531    HZ3  LYS  29           HZ3      LYS  29  12.047   7.336  -7.046
  532    H    LEU  30           HN       LEU  30  17.368   4.007  -2.357
  533    HA   LEU  30           HA       LEU  30  20.148   4.519  -1.985
  534    HB2  LEU  30           HB2      LEU  30  17.991   3.319  -0.284
  535    HB3  LEU  30           HB1      LEU  30  19.666   3.208   0.218
  536    HG   LEU  30           HG       LEU  30  19.813   5.685   0.158
  537   HD11  LEU  30          HD11      LEU  30  17.769   7.009   0.071
  538   HD12  LEU  30          HD12      LEU  30  16.843   5.556  -0.309
  539   HD13  LEU  30          HD13      LEU  30  18.051   6.156  -1.447
  540   HD21  LEU  30          HD21      LEU  30  17.649   4.548   1.914
  541   HD22  LEU  30          HD22      LEU  30  18.504   6.064   2.190
  542   HD23  LEU  30          HD23      LEU  30  19.381   4.536   2.246
  543    H    VAL  31           HN       VAL  31  18.168   1.657  -2.482
  544    HA   VAL  31           HA       VAL  31  20.543  -0.031  -2.707
  545    HB   VAL  31           HB       VAL  31  17.699  -0.855  -3.318
  546   HG11  VAL  31          HG11      VAL  31  19.453  -2.385  -4.055
  547   HG12  VAL  31          HG12      VAL  31  18.499  -3.090  -2.751
  548   HG13  VAL  31          HG13      VAL  31  20.103  -2.437  -2.416
  549   HG21  VAL  31          HG21      VAL  31  17.698   0.092  -1.079
  550   HG22  VAL  31          HG22      VAL  31  19.073  -0.917  -0.633
  551   HG23  VAL  31          HG23      VAL  31  17.519  -1.661  -1.008
  552    H    GLY  32           HN       GLY  32  20.153   2.230  -4.430
  553    HA2  GLY  32           HA2      GLY  32  20.033   0.860  -7.037
  554    HA3  GLY  32           HA1      GLY  32  19.221   2.400  -6.780
  555    H    GLU  33           HN       GLU  33  20.909   3.948  -5.508
  556    HA   GLU  33           HA       GLU  33  23.383   3.920  -7.110
  557    HB2  GLU  33           HB2      GLU  33  21.771   5.702  -7.789
  558    HB3  GLU  33           HB1      GLU  33  21.853   6.353  -6.159
  559    HG2  GLU  33           HG2      GLU  33  23.252   7.653  -7.600
  560    HG3  GLU  33           HG1      GLU  33  24.265   6.756  -6.471
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1 -24.225  -4.059  -6.691
    2    H2   GLY   1           HT2      GLY   1 -25.134  -5.321  -6.028
    3    H3   GLY   1           HT3      GLY   1 -23.445  -5.410  -6.045
    4    HA2  GLY   1           HA1      GLY   1 -25.060  -3.449  -4.515
    5    HA3  GLY   1           HA2      GLY   1 -24.255  -4.858  -3.838
    6    H    SER   2           HN       SER   2 -23.512  -2.723  -2.609
    7    HA   SER   2           HA       SER   2 -21.059  -1.758  -3.910
    8    HB2  SER   2           HB2      SER   2 -21.252   0.025  -2.015
    9    HB3  SER   2           HB1      SER   2 -22.340   0.131  -3.407
   10    HG   SER   2           HG       SER   2 -23.465   0.337  -1.423
   11    H    MET   3           HN       MET   3 -22.344  -3.309  -1.043
   12    HA   MET   3           HA       MET   3 -20.246  -2.789   0.714
   13    HB2  MET   3           HB2      MET   3 -22.134  -5.139   0.677
   14    HB3  MET   3           HB1      MET   3 -21.099  -4.698   2.029
   15    HG2  MET   3           HG2      MET   3 -22.254  -2.494   2.107
   16    HG3  MET   3           HG1      MET   3 -23.365  -3.092   0.878
   17    HE1  MET   3           HE1      MET   3 -22.112  -3.332   4.526
   18    HE2  MET   3           HE2      MET   3 -21.765  -4.977   3.991
   19    HE3  MET   3           HE3      MET   3 -23.028  -4.688   5.186
   20    H    LYS   4           HN       LYS   4 -20.747  -5.706  -1.271
   21    HA   LYS   4           HA       LYS   4 -18.260  -6.835  -0.330
   22    HB2  LYS   4           HB2      LYS   4 -20.182  -7.826  -2.442
   23    HB3  LYS   4           HB1      LYS   4 -18.822  -8.733  -1.796
   24    HG2  LYS   4           HG2      LYS   4 -19.878  -8.660   0.433
   25    HG3  LYS   4           HG1      LYS   4 -21.267  -7.841  -0.281
   26    HD2  LYS   4           HD2      LYS   4 -21.646  -9.761  -1.746
   27    HD3  LYS   4           HD1      LYS   4 -20.245 -10.575  -1.047
   28    HE2  LYS   4           HE2      LYS   4 -22.274 -11.432  -0.049
   29    HE3  LYS   4           HE1      LYS   4 -21.348 -10.535   1.152
   30    HZ1  LYS   4           HZ1      LYS   4 -22.814  -8.658   0.852
   31    HZ2  LYS   4           HZ2      LYS   4 -23.715 -10.029   1.249
   32    HZ3  LYS   4           HZ3      LYS   4 -23.680  -9.476  -0.347
   33    H    GLN   5           HN       GLN   5 -19.076  -4.653  -2.690
   34    HA   GLN   5           HA       GLN   5 -17.137  -5.616  -4.649
   35    HB2  GLN   5           HB2      GLN   5 -19.117  -3.335  -4.846
   36    HB3  GLN   5           HB1      GLN   5 -18.097  -3.930  -6.149
   37    HG2  GLN   5           HG2      GLN   5 -20.202  -5.566  -4.757
   38    HG3  GLN   5           HG1      GLN   5 -20.450  -4.692  -6.264
   39   HE21  GLN   5          HE21      GLN   5 -20.919  -6.548  -7.399
   40   HE22  GLN   5          HE22      GLN   5 -19.707  -7.713  -7.821
   41    H    LEU   6           HN       LEU   6 -17.970  -2.749  -2.756
   42    HA   LEU   6           HA       LEU   6 -15.576  -1.353  -3.426
   43    HB2  LEU   6           HB2      LEU   6 -17.396  -0.925  -1.063
   44    HB3  LEU   6           HB1      LEU   6 -16.206   0.209  -1.664
   45    HG   LEU   6           HG       LEU   6 -18.824  -0.592  -2.916
   46   HD11  LEU   6          HD11      LEU   6 -19.021   1.186  -1.359
   47   HD12  LEU   6          HD12      LEU   6 -19.126   1.869  -2.982
   48   HD13  LEU   6          HD13      LEU   6 -17.635   2.027  -2.053
   49   HD21  LEU   6          HD21      LEU   6 -18.202   0.762  -4.870
   50   HD22  LEU   6          HD22      LEU   6 -17.168  -0.654  -4.697
   51   HD23  LEU   6          HD23      LEU   6 -16.572   0.937  -4.222
   52    H    GLU   7           HN       GLU   7 -16.632  -3.441  -0.763
   53    HA   GLU   7           HA       GLU   7 -14.243  -3.307   0.724
   54    HB2  GLU   7           HB2      GLU   7 -16.333  -4.361   1.552
   55    HB3  GLU   7           HB1      GLU   7 -16.081  -5.691   0.431
   56    HG2  GLU   7           HG2      GLU   7 -13.948  -6.197   1.561
   57    HG3  GLU   7           HG1      GLU   7 -14.287  -4.915   2.720
   58    H    ASP   8           HN       ASP   8 -15.192  -5.296  -2.067
   59    HA   ASP   8           HA       ASP   8 -12.850  -6.871  -2.158
   60    HB2  ASP   8           HB2      ASP   8 -14.969  -6.160  -4.101
   61    HB3  ASP   8           HB1      ASP   8 -13.437  -6.692  -4.786
   62    H    LYS   9           HN       LYS   9 -13.501  -3.616  -3.257
   63    HA   LYS   9           HA       LYS   9 -11.109  -3.318  -4.769
   64    HB2  LYS   9           HB2      LYS   9 -13.057  -1.852  -5.102
   65    HB3  LYS   9           HB1      LYS   9 -12.858  -1.211  -3.478
   66    HG2  LYS   9           HG2      LYS   9 -11.973   0.368  -5.039
   67    HG3  LYS   9           HG1      LYS   9 -10.635  -0.344  -4.139
   68    HD2  LYS   9           HD2      LYS   9  -9.958  -0.241  -6.412
   69    HD3  LYS   9           HD1      LYS   9 -10.320  -1.931  -6.067
   70    HE2  LYS   9           HE2      LYS   9 -11.239  -1.349  -8.215
   71    HE3  LYS   9           HE1      LYS   9 -12.558  -1.613  -7.077
   72    HZ1  LYS   9           HZ1      LYS   9 -12.954   0.341  -8.418
   73    HZ2  LYS   9           HZ2      LYS   9 -11.492   1.026  -7.922
   74    HZ3  LYS   9           HZ3      LYS   9 -12.737   0.793  -6.806
   75    H    VAL  10           HN       VAL  10 -12.035  -2.564  -1.436
   76    HA   VAL  10           HA       VAL  10  -9.655  -1.321  -0.614
   77    HB   VAL  10           HB       VAL  10 -11.260  -3.119   1.188
   78   HG11  VAL  10          HG11      VAL  10 -10.635  -1.531   2.903
   79   HG12  VAL  10          HG12      VAL  10  -9.824  -0.528   1.696
   80   HG13  VAL  10          HG13      VAL  10  -9.202  -2.138   2.073
   81   HG21  VAL  10          HG21      VAL  10 -11.964  -0.257   0.629
   82   HG22  VAL  10          HG22      VAL  10 -12.847  -1.416   1.620
   83   HG23  VAL  10          HG23      VAL  10 -12.782  -1.621  -0.131
   84    H    GLU  11           HN       GLU  11 -10.667  -4.719  -0.462
   85    HA   GLU  11           HA       GLU  11  -8.274  -5.671   0.731
   86    HB2  GLU  11           HB2      GLU  11 -10.411  -6.888   0.847
   87    HB3  GLU  11           HB1      GLU  11 -10.377  -7.138  -0.890
   88    HG2  GLU  11           HG2      GLU  11  -9.727  -9.155   0.244
   89    HG3  GLU  11           HG1      GLU  11  -8.351  -8.500  -0.641
   90    H    GLU  12           HN       GLU  12  -9.203  -5.025  -2.559
   91    HA   GLU  12           HA       GLU  12  -7.172  -6.523  -3.843
   92    HB2  GLU  12           HB2      GLU  12  -9.182  -5.669  -5.010
   93    HB3  GLU  12           HB1      GLU  12  -8.584  -4.028  -4.813
   94    HG2  GLU  12           HG2      GLU  12  -6.665  -4.530  -6.198
   95    HG3  GLU  12           HG1      GLU  12  -7.186  -6.207  -6.347
   96    H    LEU  13           HN       LEU  13  -7.395  -3.198  -2.647
   97    HA   LEU  13           HA       LEU  13  -4.753  -2.458  -3.312
   98    HB2  LEU  13           HB2      LEU  13  -6.651  -1.537  -1.174
   99    HB3  LEU  13           HB1      LEU  13  -5.011  -0.926  -1.253
  100    HG   LEU  13           HG       LEU  13  -7.099  -0.644  -3.414
  101   HD11  LEU  13          HD11      LEU  13  -7.060   1.709  -2.820
  102   HD12  LEU  13          HD12      LEU  13  -5.887   1.382  -1.544
  103   HD13  LEU  13          HD13      LEU  13  -7.521   0.726  -1.430
  104   HD21  LEU  13          HD21      LEU  13  -4.854  -0.811  -4.354
  105   HD22  LEU  13          HD22      LEU  13  -4.285   0.432  -3.238
  106   HD23  LEU  13          HD23      LEU  13  -5.465   0.838  -4.483
  107    H    LEU  14           HN       LEU  14  -6.171  -3.954  -0.437
  108    HA   LEU  14           HA       LEU  14  -3.868  -4.144   1.116
  109    HB2  LEU  14           HB2      LEU  14  -6.498  -4.960   1.337
  110    HB3  LEU  14           HB1      LEU  14  -5.614  -6.473   1.314
  111    HG   LEU  14           HG       LEU  14  -4.237  -5.690   3.209
  112   HD11  LEU  14          HD11      LEU  14  -6.062  -3.304   3.054
  113   HD12  LEU  14          HD12      LEU  14  -4.300  -3.317   2.901
  114   HD13  LEU  14          HD13      LEU  14  -5.057  -3.686   4.451
  115   HD21  LEU  14          HD21      LEU  14  -5.979  -5.868   4.906
  116   HD22  LEU  14          HD22      LEU  14  -6.243  -7.028   3.604
  117   HD23  LEU  14          HD23      LEU  14  -7.212  -5.557   3.685
  118    H    SER  15           HN       SER  15  -4.794  -5.905  -1.683
  119    HA   SER  15           HA       SER  15  -3.051  -8.129  -1.360
  120    HB2  SER  15           HB2      SER  15  -4.989  -8.183  -2.888
  121    HB3  SER  15           HB1      SER  15  -4.238  -6.937  -3.881
  122    HG   SER  15           HG       SER  15  -2.767  -9.254  -3.352
  123    H    LYS  16           HN       LYS  16  -2.802  -5.054  -3.154
  124    HA   LYS  16           HA       LYS  16  -0.059  -5.591  -3.808
  125    HB2  LYS  16           HB2      LYS  16   0.043  -3.260  -4.663
  126    HB3  LYS  16           HB1      LYS  16  -1.169  -4.265  -5.432
  127    HG2  LYS  16           HG2      LYS  16  -2.331  -2.322  -5.200
  128    HG3  LYS  16           HG1      LYS  16  -2.771  -3.104  -3.692
  129    HD2  LYS  16           HD2      LYS  16  -2.240  -0.864  -3.162
  130    HD3  LYS  16           HD1      LYS  16  -0.885  -1.843  -2.607
  131    HE2  LYS  16           HE2      LYS  16  -0.320   0.326  -3.798
  132    HE3  LYS  16           HE1      LYS  16   0.489  -1.134  -4.389
  133    HZ1  LYS  16           HZ1      LYS  16  -0.333   0.258  -6.196
  134    HZ2  LYS  16           HZ2      LYS  16  -1.912   0.126  -5.609
  135    HZ3  LYS  16           HZ3      LYS  16  -1.111  -1.242  -6.193
  136    H    ASN  17           HN       ASN  17  -1.742  -3.766  -1.320
  137    HA   ASN  17           HA       ASN  17   0.471  -2.541  -0.079
  138    HB2  ASN  17           HB2      ASN  17  -2.015  -3.790   1.152
  139    HB3  ASN  17           HB1      ASN  17  -0.837  -2.857   2.062
  140   HD21  ASN  17          HD21      ASN  17  -2.519  -1.436   2.614
  141   HD22  ASN  17          HD22      ASN  17  -3.049  -0.229   1.491
  142    H    TYR  18           HN       TYR  18  -0.778  -5.860   0.030
  143    HA   TYR  18           HA       TYR  18   0.928  -6.829   2.042
  144    HB2  TYR  18           HB2      TYR  18  -1.039  -8.051   1.063
  145    HB3  TYR  18           HB1      TYR  18  -0.055  -8.386  -0.358
  146    HD1  TYR  18           HD1      TYR  18  -0.307  -8.967   3.293
  147    HD2  TYR  18           HD2      TYR  18   1.467 -10.198  -0.373
  148    HE1  TYR  18           HE1      TYR  18   0.581 -10.972   4.402
  149    HE2  TYR  18           HE2      TYR  18   2.359 -12.205   0.730
  150    HH   TYR  18           HH       TYR  18   2.957 -12.945   3.012
  151    H    HIS  19           HN       HIS  19   1.325  -6.857  -1.490
  152    HA   HIS  19           HA       HIS  19   3.949  -7.925  -1.463
  153    HB2  HIS  19           HB2      HIS  19   2.505  -8.009  -3.450
  154    HB3  HIS  19           HB1      HIS  19   2.565  -6.256  -3.578
  155    HD1  HIS  19           HD1      HIS  19   4.305  -5.367  -5.113
  156    HD2  HIS  19           HD2      HIS  19   5.205  -9.206  -3.787
  157    HE1  HIS  19           HE1      HIS  19   6.388  -6.041  -6.347
  158    HE2  HIS  19           HE2      HIS  19   6.991  -8.301  -5.421
  159    H    LEU  20           HN       LEU  20   2.706  -4.617  -1.705
  160    HA   LEU  20           HA       LEU  20   5.182  -3.365  -2.048
  161    HB2  LEU  20           HB2      LEU  20   3.257  -2.300  -2.834
  162    HB3  LEU  20           HB1      LEU  20   2.400  -2.517  -1.327
  163    HG   LEU  20           HG       LEU  20   3.537  -0.766  -0.309
  164   HD11  LEU  20          HD11      LEU  20   5.779  -1.241  -1.185
  165   HD12  LEU  20          HD12      LEU  20   5.358   0.466  -1.341
  166   HD13  LEU  20          HD13      LEU  20   5.286  -0.596  -2.749
  167   HD21  LEU  20          HD21      LEU  20   1.805   0.068  -1.671
  168   HD22  LEU  20          HD22      LEU  20   2.796  -0.080  -3.123
  169   HD23  LEU  20          HD23      LEU  20   3.198   1.130  -1.904
  170    H    GLU  21           HN       GLU  21   3.340  -4.156   0.905
  171    HA   GLU  21           HA       GLU  21   5.018  -2.716   2.684
  172    HB2  GLU  21           HB2      GLU  21   3.079  -4.970   3.010
  173    HB3  GLU  21           HB1      GLU  21   4.156  -4.571   4.340
  174    HG2  GLU  21           HG2      GLU  21   3.268  -2.322   4.407
  175    HG3  GLU  21           HG1      GLU  21   2.251  -2.662   3.008
  176    H    ASN  22           HN       ASN  22   5.062  -6.062   1.521
  177    HA   ASN  22           HA       ASN  22   7.377  -6.809   3.000
  178    HB2  ASN  22           HB2      ASN  22   5.913  -8.019   0.672
  179    HB3  ASN  22           HB1      ASN  22   7.467  -8.669   1.178
  180   HD21  ASN  22          HD21      ASN  22   4.119  -8.282   1.989
  181   HD22  ASN  22          HD22      ASN  22   4.119  -9.357   3.348
  182    H    GLU  23           HN       GLU  23   6.820  -5.325  -0.099
  183    HA   GLU  23           HA       GLU  23   9.392  -5.597  -1.188
  184    HB2  GLU  23           HB2      GLU  23   7.413  -4.846  -2.463
  185    HB3  GLU  23           HB1      GLU  23   7.412  -3.341  -1.560
  186    HG2  GLU  23           HG2      GLU  23   9.457  -2.651  -2.541
  187    HG3  GLU  23           HG1      GLU  23   9.723  -4.242  -3.253
  188    H    VAL  24           HN       VAL  24   7.970  -3.030   0.844
  189    HA   VAL  24           HA       VAL  24  10.281  -1.458   1.057
  190    HB   VAL  24           HB       VAL  24   7.914  -1.801   2.930
  191   HG11  VAL  24          HG11      VAL  24   9.952  -1.333   4.288
  192   HG12  VAL  24          HG12      VAL  24   8.797   0.000   4.301
  193   HG13  VAL  24          HG13      VAL  24  10.244   0.097   3.293
  194   HG21  VAL  24          HG21      VAL  24   8.946   0.438   1.208
  195   HG22  VAL  24          HG22      VAL  24   7.576   0.559   2.313
  196   HG23  VAL  24          HG23      VAL  24   7.506  -0.548   0.942
  197    H    ALA  25           HN       ALA  25   9.127  -4.176   3.028
  198    HA   ALA  25           HA       ALA  25  11.010  -4.101   5.068
  199    HB1  ALA  25           HB1      ALA  25   8.995  -5.506   5.103
  200    HB2  ALA  25           HB2      ALA  25  10.448  -6.438   5.472
  201    HB3  ALA  25           HB3      ALA  25   9.710  -6.550   3.875
  202    H    ARG  26           HN       ARG  26  11.169  -5.800   1.957
  203    HA   ARG  26           HA       ARG  26  13.661  -7.037   2.344
  204    HB2  ARG  26           HB2      ARG  26  12.362  -6.097  -0.218
  205    HB3  ARG  26           HB1      ARG  26  13.750  -7.175  -0.130
  206    HG2  ARG  26           HG2      ARG  26  12.403  -8.830   1.044
  207    HG3  ARG  26           HG1      ARG  26  11.011  -7.746   0.985
  208    HD2  ARG  26           HD2      ARG  26  11.102  -7.806  -1.476
  209    HD3  ARG  26           HD1      ARG  26  12.448  -8.941  -1.382
  210    HE   ARG  26           HE       ARG  26  10.227  -9.899   0.093
  211   HH11  ARG  26          HH11      ARG  26  11.380  -9.498  -3.185
  212   HH12  ARG  26          HH12      ARG  26  10.433 -10.808  -3.811
  213   HH21  ARG  26          HH21      ARG  26   8.979 -11.625  -0.730
  214   HH22  ARG  26          HH22      ARG  26   9.074 -12.020  -2.418
  215    H    LEU  27           HN       LEU  27  12.875  -4.018   0.641
  216    HA   LEU  27           HA       LEU  27  15.492  -3.274  -0.001
  217    HB2  LEU  27           HB2      LEU  27  12.966  -1.695   0.409
  218    HB3  LEU  27           HB1      LEU  27  14.474  -0.903   0.051
  219    HG   LEU  27           HG       LEU  27  14.549  -1.682  -2.131
  220   HD11  LEU  27          HD11      LEU  27  14.181  -4.063  -1.683
  221   HD12  LEU  27          HD12      LEU  27  13.199  -3.497  -3.033
  222   HD13  LEU  27          HD13      LEU  27  12.461  -3.750  -1.451
  223   HD21  LEU  27          HD21      LEU  27  12.317  -1.241  -3.067
  224   HD22  LEU  27          HD22      LEU  27  12.809  -0.051  -1.863
  225   HD23  LEU  27          HD23      LEU  27  11.648  -1.309  -1.437
  226    H    LYS  28           HN       LYS  28  13.526  -2.564   2.830
  227    HA   LYS  28           HA       LYS  28  15.183  -0.645   4.021
  228    HB2  LYS  28           HB2      LYS  28  12.750  -1.342   4.544
  229    HB3  LYS  28           HB1      LYS  28  13.469  -2.575   5.565
  230    HG2  LYS  28           HG2      LYS  28  12.769  -0.505   6.754
  231    HG3  LYS  28           HG1      LYS  28  14.465  -0.945   6.975
  232    HD2  LYS  28           HD2      LYS  28  15.227   0.819   5.724
  233    HD3  LYS  28           HD1      LYS  28  13.754   0.913   4.761
  234    HE2  LYS  28           HE2      LYS  28  14.140   2.809   6.367
  235    HE3  LYS  28           HE1      LYS  28  12.578   2.006   6.491
  236    HZ1  LYS  28           HZ1      LYS  28  13.862   2.520   8.627
  237    HZ2  LYS  28           HZ2      LYS  28  14.825   1.179   8.223
  238    HZ3  LYS  28           HZ3      LYS  28  13.162   0.992   8.464
  239    H    LYS  29           HN       LYS  29  15.098  -4.159   4.321
  240    HA   LYS  29           HA       LYS  29  17.150  -4.291   6.309
  241    HB2  LYS  29           HB2      LYS  29  15.474  -6.050   6.095
  242    HB3  LYS  29           HB1      LYS  29  16.022  -6.402   4.462
  243    HG2  LYS  29           HG2      LYS  29  18.159  -7.162   5.313
  244    HG3  LYS  29           HG1      LYS  29  17.669  -6.745   6.959
  245    HD2  LYS  29           HD2      LYS  29  15.915  -8.397   6.901
  246    HD3  LYS  29           HD1      LYS  29  16.256  -8.750   5.199
  247    HE2  LYS  29           HE2      LYS  29  18.185  -9.164   7.484
  248    HE3  LYS  29           HE1      LYS  29  17.204 -10.430   6.749
  249    HZ1  LYS  29           HZ1      LYS  29  18.325  -9.949   4.623
  250    HZ2  LYS  29           HZ2      LYS  29  19.397 -10.472   5.817
  251    HZ3  LYS  29           HZ3      LYS  29  19.323  -8.834   5.413
  252    H    LEU  30           HN       LEU  30  17.089  -3.970   2.911
  253    HA   LEU  30           HA       LEU  30  19.735  -5.039   2.461
  254    HB2  LEU  30           HB2      LEU  30  17.827  -3.593   0.637
  255    HB3  LEU  30           HB1      LEU  30  19.384  -4.225   0.135
  256    HG   LEU  30           HG       LEU  30  17.183  -5.949   1.267
  257   HD11  LEU  30          HD11      LEU  30  16.453  -4.886  -0.795
  258   HD12  LEU  30          HD12      LEU  30  16.723  -6.612  -1.018
  259   HD13  LEU  30          HD13      LEU  30  17.913  -5.448  -1.605
  260   HD21  LEU  30          HD21      LEU  30  19.303  -7.017   1.498
  261   HD22  LEU  30          HD22      LEU  30  19.782  -6.548  -0.133
  262   HD23  LEU  30          HD23      LEU  30  18.503  -7.739   0.102
  263    H    VAL  31           HN       VAL  31  18.177  -1.916   2.796
  264    HA   VAL  31           HA       VAL  31  20.563  -0.381   2.404
  265    HB   VAL  31           HB       VAL  31  18.087   0.363   3.990
  266   HG11  VAL  31          HG11      VAL  31  20.222   2.111   2.769
  267   HG12  VAL  31          HG12      VAL  31  20.026   1.771   4.488
  268   HG13  VAL  31          HG13      VAL  31  18.782   2.672   3.621
  269   HG21  VAL  31          HG21      VAL  31  17.495  -0.198   1.701
  270   HG22  VAL  31          HG22      VAL  31  18.742   0.890   1.094
  271   HG23  VAL  31          HG23      VAL  31  17.354   1.539   1.968
  272    H    GLY  32           HN       GLY  32  19.055  -2.109   4.992
  273    HA2  GLY  32           HA2      GLY  32  20.220  -3.061   6.782
  274    HA3  GLY  32           HA1      GLY  32  21.514  -1.895   6.541
  275    H    GLU  33           HN       GLU  33  18.174  -0.917   6.683
  276    HA   GLU  33           HA       GLU  33  18.776   0.392   9.257
  277    HB2  GLU  33           HB2      GLU  33  16.922   1.316   7.052
  278    HB3  GLU  33           HB1      GLU  33  17.161   2.139   8.586
  279    HG2  GLU  33           HG2      GLU  33  19.298   1.675   6.520
  280    HG3  GLU  33           HG1      GLU  33  18.398   3.175   6.735
  281    H1   GLY   1           HT1      GLY   1 -24.451   4.200   5.657
  282    H2   GLY   1           HT2      GLY   1 -25.325   5.464   4.954
  283    H3   GLY   1           HT3      GLY   1 -23.641   5.550   5.045
  284    HA2  GLY   1           HA1      GLY   1 -25.193   3.596   3.445
  285    HA3  GLY   1           HA2      GLY   1 -24.351   5.002   2.806
  286    H    SER   2           HN       SER   2 -23.583   2.838   1.622
  287    HA   SER   2           HA       SER   2 -21.186   1.874   3.019
  288    HB2  SER   2           HB2      SER   2 -21.307   0.089   1.126
  289    HB3  SER   2           HB1      SER   2 -22.463  -0.007   2.463
  290    HG   SER   2           HG       SER   2 -23.534  -0.211   0.476
  291    H    MET   3           HN       MET   3 -22.346   3.432   0.107
  292    HA   MET   3           HA       MET   3 -20.182   2.885  -1.565
  293    HB2  MET   3           HB2      MET   3 -22.051   5.251  -1.615
  294    HB3  MET   3           HB1      MET   3 -20.964   4.800  -2.922
  295    HG2  MET   3           HG2      MET   3 -22.129   2.605  -3.041
  296    HG3  MET   3           HG1      MET   3 -23.287   3.211  -1.862
  297    HE1  MET   3           HE1      MET   3 -21.879   3.438  -5.459
  298    HE2  MET   3           HE2      MET   3 -21.545   5.080  -4.910
  299    HE3  MET   3           HE3      MET   3 -22.759   4.797  -6.157
  300    H    LYS   4           HN       LYS   4 -20.745   5.815   0.386
  301    HA   LYS   4           HA       LYS   4 -18.210   6.918  -0.459
  302    HB2  LYS   4           HB2      LYS   4 -20.207   7.932   1.572
  303    HB3  LYS   4           HB1      LYS   4 -18.812   8.823   0.984
  304    HG2  LYS   4           HG2      LYS   4 -19.770   8.759  -1.290
  305    HG3  LYS   4           HG1      LYS   4 -21.197   7.953  -0.634
  306    HD2  LYS   4           HD2      LYS   4 -21.617   9.877   0.818
  307    HD3  LYS   4           HD1      LYS   4 -20.187  10.681   0.170
  308    HE2  LYS   4           HE2      LYS   4 -22.168  11.548  -0.903
  309    HE3  LYS   4           HE1      LYS   4 -21.209  10.640  -2.070
  310    HZ1  LYS   4           HZ1      LYS   4 -22.702   8.778  -1.820
  311    HZ2  LYS   4           HZ2      LYS   4 -23.579  10.159  -2.241
  312    HZ3  LYS   4           HZ3      LYS   4 -23.601   9.603  -0.647
  313    H    GLN   5           HN       GLN   5 -19.139   4.757   1.881
  314    HA   GLN   5           HA       GLN   5 -17.271   5.707   3.912
  315    HB2  GLN   5           HB2      GLN   5 -19.276   3.442   4.032
  316    HB3  GLN   5           HB1      GLN   5 -18.302   4.026   5.374
  317    HG2  GLN   5           HG2      GLN   5 -20.337   5.685   3.905
  318    HG3  GLN   5           HG1      GLN   5 -20.652   4.813   5.401
  319   HE21  GLN   5          HE21      GLN   5 -21.150   6.692   6.505
  320   HE22  GLN   5          HE22      GLN   5 -19.944   7.838   6.975
  321    H    LEU   6           HN       LEU   6 -18.051   2.839   1.995
  322    HA   LEU   6           HA       LEU   6 -15.695   1.429   2.762
  323    HB2  LEU   6           HB2      LEU   6 -17.421   1.009   0.328
  324    HB3  LEU   6           HB1      LEU   6 -16.263  -0.130   0.976
  325    HG   LEU   6           HG       LEU   6 -18.921   0.688   2.124
  326   HD11  LEU   6          HD11      LEU   6 -19.068  -1.087   0.558
  327   HD12  LEU   6          HD12      LEU   6 -19.247  -1.769   2.175
  328   HD13  LEU   6          HD13      LEU   6 -17.720  -1.940   1.309
  329   HD21  LEU   6          HD21      LEU   6 -18.383  -0.669   4.099
  330   HD22  LEU   6          HD22      LEU   6 -17.335   0.742   3.965
  331   HD23  LEU   6          HD23      LEU   6 -16.730  -0.852   3.515
  332    H    GLU   7           HN       GLU   7 -16.625   3.518   0.055
  333    HA   GLU   7           HA       GLU   7 -14.181   3.362  -1.337
  334    HB2  GLU   7           HB2      GLU   7 -16.227   4.434  -2.247
  335    HB3  GLU   7           HB1      GLU   7 -16.009   5.761  -1.115
  336    HG2  GLU   7           HG2      GLU   7 -13.837   6.263  -2.163
  337    HG3  GLU   7           HG1      GLU   7 -14.128   4.976  -3.330
  338    H    ASP   8           HN       ASP   8 -15.225   5.359   1.411
  339    HA   ASP   8           HA       ASP   8 -12.876   6.920   1.584
  340    HB2  ASP   8           HB2      ASP   8 -15.075   6.240   3.444
  341    HB3  ASP   8           HB1      ASP   8 -13.563   6.759   4.186
  342    H    LYS   9           HN       LYS   9 -13.593   3.672   2.661
  343    HA   LYS   9           HA       LYS   9 -11.268   3.366   4.276
  344    HB2  LYS   9           HB2      LYS   9 -13.238   1.913   4.532
  345    HB3  LYS   9           HB1      LYS   9 -12.977   1.267   2.919
  346    HG2  LYS   9           HG2      LYS   9 -12.169  -0.313   4.521
  347    HG3  LYS   9           HG1      LYS   9 -10.790   0.385   3.675
  348    HD2  LYS   9           HD2      LYS   9 -10.207   0.285   5.974
  349    HD3  LYS   9           HD1      LYS   9 -10.542   1.978   5.609
  350    HE2  LYS   9           HE2      LYS   9 -11.552   1.408   7.719
  351    HE3  LYS   9           HE1      LYS   9 -12.821   1.678   6.527
  352    HZ1  LYS   9           HZ1      LYS   9 -13.280  -0.270   7.862
  353    HZ2  LYS   9           HZ2      LYS   9 -11.809  -0.968   7.414
  354    HZ3  LYS   9           HZ3      LYS   9 -13.015  -0.722   6.256
  355    H    VAL  10           HN       VAL  10 -12.065   2.604   0.915
  356    HA   VAL  10           HA       VAL  10  -9.661   1.350   0.188
  357    HB   VAL  10           HB       VAL  10 -11.180   3.153  -1.680
  358   HG11  VAL  10          HG11      VAL  10 -10.497   1.557  -3.367
  359   HG12  VAL  10          HG12      VAL  10  -9.743   0.552  -2.126
  360   HG13  VAL  10          HG13      VAL  10  -9.094   2.155  -2.479
  361   HG21  VAL  10          HG21      VAL  10 -11.927   0.298  -1.143
  362   HG22  VAL  10          HG22      VAL  10 -12.761   1.462  -2.170
  363   HG23  VAL  10          HG23      VAL  10 -12.762   1.670  -0.419
  364    H    GLU  11           HN       GLU  11 -10.644   4.754  -0.011
  365    HA   GLU  11           HA       GLU  11  -8.200   5.687  -1.109
  366    HB2  GLU  11           HB2      GLU  11 -10.318   6.917  -1.312
  367    HB3  GLU  11           HB1      GLU  11 -10.355   7.169   0.425
  368    HG2  GLU  11           HG2      GLU  11  -9.642   9.179  -0.677
  369    HG3  GLU  11           HG1      GLU  11  -8.306   8.512   0.257
  370    H    GLU  12           HN       GLU  12  -9.258   5.046   2.140
  371    HA   GLU  12           HA       GLU  12  -7.272   6.536   3.505
  372    HB2  GLU  12           HB2      GLU  12  -9.339   5.705   4.593
  373    HB3  GLU  12           HB1      GLU  12  -8.748   4.058   4.421
  374    HG2  GLU  12           HG2      GLU  12  -6.884   4.539   5.885
  375    HG3  GLU  12           HG1      GLU  12  -7.391   6.223   6.010
  376    H    LEU  13           HN       LEU  13  -7.471   3.211   2.306
  377    HA   LEU  13           HA       LEU  13  -4.865   2.453   3.081
  378    HB2  LEU  13           HB2      LEU  13  -6.683   1.544   0.870
  379    HB3  LEU  13           HB1      LEU  13  -5.051   0.921   1.014
  380    HG   LEU  13           HG       LEU  13  -7.227   0.657   3.092
  381   HD11  LEU  13          HD11      LEU  13  -7.180  -1.697   2.502
  382   HD12  LEU  13          HD12      LEU  13  -5.956  -1.382   1.274
  383   HD13  LEU  13          HD13      LEU  13  -7.577  -0.713   1.094
  384   HD21  LEU  13          HD21      LEU  13  -5.018   0.810   4.120
  385   HD22  LEU  13          HD22      LEU  13  -4.414  -0.440   3.030
  386   HD23  LEU  13          HD23      LEU  13  -5.646  -0.834   4.228
  387    H    LEU  14           HN       LEU  14  -6.155   3.958   0.153
  388    HA   LEU  14           HA       LEU  14  -3.793   4.122  -1.312
  389    HB2  LEU  14           HB2      LEU  14  -6.403   4.963  -1.643
  390    HB3  LEU  14           HB1      LEU  14  -5.507   6.468  -1.585
  391    HG   LEU  14           HG       LEU  14  -4.062   5.669  -3.422
  392   HD11  LEU  14          HD11      LEU  14  -5.917   3.302  -3.333
  393   HD12  LEU  14          HD12      LEU  14  -4.162   3.300  -3.107
  394   HD13  LEU  14          HD13      LEU  14  -4.849   3.668  -4.689
  395   HD21  LEU  14          HD21      LEU  14  -5.734   5.859  -5.190
  396   HD22  LEU  14          HD22      LEU  14  -6.035   7.026  -3.903
  397   HD23  LEU  14          HD23      LEU  14  -7.017   5.565  -4.017
  398    H    SER  15           HN       SER  15  -4.817   5.907   1.440
  399    HA   SER  15           HA       SER  15  -3.038   8.111   1.181
  400    HB2  SER  15           HB2      SER  15  -5.050   8.167   2.627
  401    HB3  SER  15           HB1      SER  15  -4.320   6.952   3.674
  402    HG   SER  15           HG       SER  15  -2.784   9.209   3.183
  403    H    LYS  16           HN       LYS  16  -2.893   5.039   2.999
  404    HA   LYS  16           HA       LYS  16  -0.172   5.554   3.758
  405    HB2  LYS  16           HB2      LYS  16  -0.122   3.225   4.615
  406    HB3  LYS  16           HB1      LYS  16  -1.357   4.241   5.334
  407    HG2  LYS  16           HG2      LYS  16  -2.521   2.305   5.060
  408    HG3  LYS  16           HG1      LYS  16  -2.897   3.085   3.533
  409    HD2  LYS  16           HD2      LYS  16  -2.359   0.840   3.033
  410    HD3  LYS  16           HD1      LYS  16  -0.978   1.809   2.528
  411    HE2  LYS  16           HE2      LYS  16  -0.474  -0.361   3.752
  412    HE3  LYS  16           HE1      LYS  16   0.321   1.097   4.364
  413    HZ1  LYS  16           HZ1      LYS  16  -0.574  -0.275   6.147
  414    HZ2  LYS  16           HZ2      LYS  16  -2.128  -0.142   5.500
  415    HZ3  LYS  16           HZ3      LYS  16  -1.345   1.228   6.106
  416    H    ASN  17           HN       ASN  17  -1.764   3.742   1.206
  417    HA   ASN  17           HA       ASN  17   0.490   2.495   0.060
  418    HB2  ASN  17           HB2      ASN  17  -1.939   3.756  -1.272
  419    HB3  ASN  17           HB1      ASN  17  -0.733   2.813  -2.131
  420   HD21  ASN  17          HD21      ASN  17  -2.409   1.403  -2.746
  421   HD22  ASN  17          HD22      ASN  17  -2.986   0.202  -1.640
  422    H    TYR  18           HN       TYR  18  -0.733   5.823  -0.101
  423    HA   TYR  18           HA       TYR  18   1.058   6.777  -2.049
  424    HB2  TYR  18           HB2      TYR  18  -0.937   8.015  -1.148
  425    HB3  TYR  18           HB1      TYR  18  -0.007   8.346   0.310
  426    HD1  TYR  18           HD1      TYR  18  -0.109   8.918  -3.344
  427    HD2  TYR  18           HD2      TYR  18   1.527  10.145   0.384
  428    HE1  TYR  18           HE1      TYR  18   0.832  10.908  -4.425
  429    HE2  TYR  18           HE2      TYR  18   2.477  12.146  -0.687
  430    HH   TYR  18           HH       TYR  18   3.175  12.842  -2.985
  431    H    HIS  19           HN       HIS  19   1.311   6.817   1.499
  432    HA   HIS  19           HA       HIS  19   3.944   7.854   1.574
  433    HB2  HIS  19           HB2      HIS  19   2.424   7.955   3.506
  434    HB3  HIS  19           HB1      HIS  19   2.465   6.202   3.637
  435    HD1  HIS  19           HD1      HIS  19   4.144   5.302   5.237
  436    HD2  HIS  19           HD2      HIS  19   5.115   9.130   3.942
  437    HE1  HIS  19           HE1      HIS  19   6.185   5.962   6.544
  438    HE2  HIS  19           HE2      HIS  19   6.826   8.228   5.656
  439    H    LEU  20           HN       LEU  20   2.662   4.556   1.756
  440    HA   LEU  20           HA       LEU  20   5.118   3.290   2.213
  441    HB2  LEU  20           HB2      LEU  20   3.156   2.238   2.924
  442    HB3  LEU  20           HB1      LEU  20   2.363   2.455   1.384
  443    HG   LEU  20           HG       LEU  20   3.530   0.693   0.416
  444   HD11  LEU  20          HD11      LEU  20   5.738   1.158   1.383
  445   HD12  LEU  20          HD12      LEU  20   5.298  -0.544   1.526
  446   HD13  LEU  20          HD13      LEU  20   5.175   0.520   2.928
  447   HD21  LEU  20          HD21      LEU  20   1.736  -0.122   1.710
  448   HD22  LEU  20          HD22      LEU  20   2.671   0.024   3.201
  449   HD23  LEU  20          HD23      LEU  20   3.111  -1.195   2.004
  450    H    GLU  21           HN       GLU  21   3.402   4.086  -0.815
  451    HA   GLU  21           HA       GLU  21   5.143   2.634  -2.522
  452    HB2  GLU  21           HB2      GLU  21   3.232   4.900  -2.930
  453    HB3  GLU  21           HB1      GLU  21   4.360   4.490  -4.214
  454    HG2  GLU  21           HG2      GLU  21   3.465   2.246  -4.315
  455    HG3  GLU  21           HG1      GLU  21   2.394   2.593  -2.957
  456    H    ASN  22           HN       ASN  22   5.166   5.979  -1.355
  457    HA   ASN  22           HA       ASN  22   7.544   6.704  -2.746
  458    HB2  ASN  22           HB2      ASN  22   5.995   7.937  -0.486
  459    HB3  ASN  22           HB1      ASN  22   7.574   8.573  -0.932
  460   HD21  ASN  22          HD21      ASN  22   4.255   8.216  -1.870
  461   HD22  ASN  22          HD22      ASN  22   4.319   9.287  -3.229
  462    H    GLU  23           HN       GLU  23   6.848   5.232   0.329
  463    HA   GLU  23           HA       GLU  23   9.375   5.484   1.524
  464    HB2  GLU  23           HB2      GLU  23   7.341   4.753   2.721
  465    HB3  GLU  23           HB1      GLU  23   7.362   3.246   1.818
  466    HG2  GLU  23           HG2      GLU  23   9.362   2.539   2.881
  467    HG3  GLU  23           HG1      GLU  23   9.611   4.127   3.603
  468    H    VAL  24           HN       VAL  24   8.020   2.933  -0.568
  469    HA   VAL  24           HA       VAL  24  10.325   1.338  -0.679
  470    HB   VAL  24           HB       VAL  24   8.039   1.693  -2.648
  471   HG11  VAL  24          HG11      VAL  24  10.128   1.206  -3.920
  472   HG12  VAL  24          HG12      VAL  24   8.965  -0.120  -3.976
  473   HG13  VAL  24          HG13      VAL  24  10.368  -0.223  -2.909
  474   HG21  VAL  24          HG21      VAL  24   8.984  -0.549  -0.881
  475   HG22  VAL  24          HG22      VAL  24   7.659  -0.665  -2.040
  476   HG23  VAL  24          HG23      VAL  24   7.543   0.445  -0.673
  477    H    ALA  25           HN       ALA  25   9.272   4.060  -2.697
  478    HA   ALA  25           HA       ALA  25  11.234   3.965  -4.661
  479    HB1  ALA  25           HB1      ALA  25   9.235   5.389  -4.785
  480    HB2  ALA  25           HB2      ALA  25  10.709   6.308  -5.092
  481    HB3  ALA  25           HB3      ALA  25   9.905   6.429  -3.528
  482    H    ARG  26           HN       ARG  26  11.278   5.671  -1.547
  483    HA   ARG  26           HA       ARG  26  13.795   6.884  -1.837
  484    HB2  ARG  26           HB2      ARG  26  12.389   5.965   0.676
  485    HB3  ARG  26           HB1      ARG  26  13.787   7.033   0.639
  486    HG2  ARG  26           HG2      ARG  26  12.501   8.693  -0.591
  487    HG3  ARG  26           HG1      ARG  26  11.101   7.621  -0.588
  488    HD2  ARG  26           HD2      ARG  26  11.090   7.686   1.875
  489    HD3  ARG  26           HD1      ARG  26  12.447   8.814   1.833
  490    HE   ARG  26           HE       ARG  26  10.291   9.783   0.268
  491   HH11  ARG  26          HH11      ARG  26  11.296   9.369   3.593
  492   HH12  ARG  26          HH12      ARG  26  10.343  10.694   4.179
  493   HH21  ARG  26          HH21      ARG  26   9.038  11.526   1.034
  494   HH22  ARG  26          HH22      ARG  26   9.052  11.919   2.724
  495    H    LEU  27           HN       LEU  27  12.916   3.876  -0.165
  496    HA   LEU  27           HA       LEU  27  15.502   3.119   0.588
  497    HB2  LEU  27           HB2      LEU  27  12.983   1.555   0.078
  498    HB3  LEU  27           HB1      LEU  27  14.470   0.754   0.499
  499    HG   LEU  27           HG       LEU  27  14.464   1.536   2.681
  500   HD11  LEU  27          HD11      LEU  27  14.128   3.918   2.211
  501   HD12  LEU  27          HD12      LEU  27  13.090   3.362   3.523
  502   HD13  LEU  27          HD13      LEU  27  12.417   3.616   1.913
  503   HD21  LEU  27          HD21      LEU  27  12.193   1.112   3.527
  504   HD22  LEU  27          HD22      LEU  27  12.724  -0.084   2.345
  505   HD23  LEU  27          HD23      LEU  27  11.590   1.180   1.871
  506    H    LYS  28           HN       LYS  28  13.646   2.416  -2.320
  507    HA   LYS  28           HA       LYS  28  15.337   0.482  -3.439
  508    HB2  LYS  28           HB2      LYS  28  12.933   1.195  -4.061
  509    HB3  LYS  28           HB1      LYS  28  13.702   2.420  -5.058
  510    HG2  LYS  28           HG2      LYS  28  13.035   0.351  -6.265
  511    HG3  LYS  28           HG1      LYS  28  14.739   0.775  -6.423
  512    HD2  LYS  28           HD2      LYS  28  15.437  -0.992  -5.135
  513    HD3  LYS  28           HD1      LYS  28  13.925  -1.073  -4.235
  514    HE2  LYS  28           HE2      LYS  28  14.356  -2.976  -5.814
  515    HE3  LYS  28           HE1      LYS  28  12.814  -2.151  -6.020
  516    HZ1  LYS  28           HZ1      LYS  28  14.215  -2.698  -8.083
  517    HZ2  LYS  28           HZ2      LYS  28  15.149  -1.354  -7.637
  518    HZ3  LYS  28           HZ3      LYS  28  13.503  -1.170  -7.971
  519    H    LYS  29           HN       LYS  29  15.287   3.995  -3.750
  520    HA   LYS  29           HA       LYS  29  17.415   4.108  -5.658
  521    HB2  LYS  29           HB2      LYS  29  15.750   5.883  -5.510
  522    HB3  LYS  29           HB1      LYS  29  16.232   6.230  -3.857
  523    HG2  LYS  29           HG2      LYS  29  18.410   6.971  -4.619
  524    HG3  LYS  29           HG1      LYS  29  17.984   6.555  -6.285
  525    HD2  LYS  29           HD2      LYS  29  16.239   8.219  -6.300
  526    HD3  LYS  29           HD1      LYS  29  16.517   8.574  -4.588
  527    HE2  LYS  29           HE2      LYS  29  18.533   8.969  -6.796
  528    HE3  LYS  29           HE1      LYS  29  17.534  10.243  -6.100
  529    HZ1  LYS  29           HZ1      LYS  29  18.563   9.755  -3.935
  530    HZ2  LYS  29           HZ2      LYS  29  19.686  10.273  -5.085
  531    HZ3  LYS  29           HZ3      LYS  29  19.589   8.637  -4.683
  532    H    LEU  30           HN       LEU  30  17.218   3.807  -2.259
  533    HA   LEU  30           HA       LEU  30  19.856   4.847  -1.709
  534    HB2  LEU  30           HB2      LEU  30  17.869   3.417   0.037
  535    HB3  LEU  30           HB1      LEU  30  19.410   4.040   0.599
  536    HG   LEU  30           HG       LEU  30  17.265   5.774  -0.624
  537   HD11  LEU  30          HD11      LEU  30  16.446   4.713   1.407
  538   HD12  LEU  30          HD12      LEU  30  16.713   6.437   1.640
  539   HD13  LEU  30          HD13      LEU  30  17.873   5.269   2.277
  540   HD21  LEU  30          HD21      LEU  30  19.400   6.830  -0.765
  541   HD22  LEU  30          HD22      LEU  30  19.809   6.357   0.883
  542   HD23  LEU  30          HD23      LEU  30  18.550   7.556   0.597
  543    H    VAL  31           HN       VAL  31  18.286   1.732  -2.092
  544    HA   VAL  31           HA       VAL  31  20.644   0.187  -1.602
  545    HB   VAL  31           HB       VAL  31  18.231  -0.550  -3.288
  546   HG11  VAL  31          HG11      VAL  31  20.305  -2.305  -1.978
  547   HG12  VAL  31          HG12      VAL  31  20.178  -1.972  -3.705
  548   HG13  VAL  31          HG13      VAL  31  18.897  -2.861  -2.883
  549   HG21  VAL  31          HG21      VAL  31  17.552   0.021  -1.026
  550   HG22  VAL  31          HG22      VAL  31  18.768  -1.074  -0.368
  551   HG23  VAL  31          HG23      VAL  31  17.410  -1.715  -1.295
  552    H    GLY  32           HN       GLY  32  19.252   1.912  -4.258
  553    HA2  GLY  32           HA2      GLY  32  20.500   2.855  -5.998
  554    HA3  GLY  32           HA1      GLY  32  21.774   1.678  -5.702
  555    H    GLU  33           HN       GLU  33  18.431   0.731  -5.980
  556    HA   GLU  33           HA       GLU  33  19.125  -0.588  -8.527
  557    HB2  GLU  33           HB2      GLU  33  17.178  -1.497  -6.395
  558    HB3  GLU  33           HB1      GLU  33  17.472  -2.322  -7.920
  559    HG2  GLU  33           HG2      GLU  33  19.535  -1.873  -5.774
  560    HG3  GLU  33           HG1      GLU  33  18.629  -3.365  -6.016
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1 -25.068  -5.351  -6.994
    2    H2   GLY   1           HT2      GLY   1 -23.790  -4.338  -7.441
    3    H3   GLY   1           HT3      GLY   1 -24.973  -3.783  -6.371
    4    HA2  GLY   1           HA1      GLY   1 -24.287  -5.374  -4.709
    5    HA3  GLY   1           HA2      GLY   1 -23.076  -5.992  -5.823
    6    H    SER   2           HN       SER   2 -23.514  -4.041  -3.231
    7    HA   SER   2           HA       SER   2 -21.370  -2.199  -4.008
    8    HB2  SER   2           HB2      SER   2 -22.159  -0.994  -1.860
    9    HB3  SER   2           HB1      SER   2 -23.195  -0.920  -3.286
   10    HG   SER   2           HG       SER   2 -24.675  -1.764  -2.075
   11    H    MET   3           HN       MET   3 -22.428  -4.234  -1.283
   12    HA   MET   3           HA       MET   3 -20.288  -3.696   0.407
   13    HB2  MET   3           HB2      MET   3 -21.935  -6.217   0.212
   14    HB3  MET   3           HB1      MET   3 -20.857  -5.829   1.543
   15    HG2  MET   3           HG2      MET   3 -23.258  -4.204   0.736
   16    HG3  MET   3           HG1      MET   3 -23.225  -5.389   2.038
   17    HE1  MET   3           HE1      MET   3 -21.328  -2.143   0.739
   18    HE2  MET   3           HE2      MET   3 -21.650  -1.106   2.126
   19    HE3  MET   3           HE3      MET   3 -22.990  -1.754   1.180
   20    H    LYS   4           HN       LYS   4 -20.640  -6.561  -1.702
   21    HA   LYS   4           HA       LYS   4 -18.062  -7.526  -0.920
   22    HB2  LYS   4           HB2      LYS   4 -18.468  -9.373  -2.417
   23    HB3  LYS   4           HB1      LYS   4 -19.920  -9.053  -1.482
   24    HG2  LYS   4           HG2      LYS   4 -20.817  -7.796  -3.439
   25    HG3  LYS   4           HG1      LYS   4 -19.406  -8.318  -4.354
   26    HD2  LYS   4           HD2      LYS   4 -21.210 -10.292  -2.992
   27    HD3  LYS   4           HD1      LYS   4 -21.578  -9.667  -4.595
   28    HE2  LYS   4           HE2      LYS   4 -20.445 -11.732  -4.890
   29    HE3  LYS   4           HE1      LYS   4 -19.316 -10.455  -5.327
   30    HZ1  LYS   4           HZ1      LYS   4 -18.405 -12.306  -3.937
   31    HZ2  LYS   4           HZ2      LYS   4 -19.336 -11.727  -2.651
   32    HZ3  LYS   4           HZ3      LYS   4 -18.131 -10.755  -3.331
   33    H    GLN   5           HN       GLN   5 -18.978  -5.201  -3.107
   34    HA   GLN   5           HA       GLN   5 -16.833  -5.815  -5.000
   35    HB2  GLN   5           HB2      GLN   5 -19.119  -3.843  -5.157
   36    HB3  GLN   5           HB1      GLN   5 -17.853  -3.979  -6.368
   37    HG2  GLN   5           HG2      GLN   5 -19.808  -6.131  -5.595
   38    HG3  GLN   5           HG1      GLN   5 -19.850  -5.157  -7.064
   39   HE21  GLN   5          HE21      GLN   5 -19.672  -8.041  -6.750
   40   HE22  GLN   5          HE22      GLN   5 -18.223  -8.530  -7.556
   41    H    LEU   6           HN       LEU   6 -18.105  -3.233  -2.963
   42    HA   LEU   6           HA       LEU   6 -15.877  -1.517  -3.293
   43    HB2  LEU   6           HB2      LEU   6 -18.171  -1.678  -1.392
   44    HB3  LEU   6           HB1      LEU   6 -16.797  -0.694  -0.946
   45    HG   LEU   6           HG       LEU   6 -18.660   0.583  -1.986
   46   HD11  LEU   6          HD11      LEU   6 -16.299   1.358  -2.049
   47   HD12  LEU   6          HD12      LEU   6 -17.297   1.964  -3.368
   48   HD13  LEU   6          HD13      LEU   6 -16.159   0.655  -3.660
   49   HD21  LEU   6          HD21      LEU   6 -19.425  -1.082  -3.586
   50   HD22  LEU   6          HD22      LEU   6 -17.910  -0.941  -4.475
   51   HD23  LEU   6          HD23      LEU   6 -19.016   0.429  -4.397
   52    H    GLU   7           HN       GLU   7 -16.804  -3.893  -0.805
   53    HA   GLU   7           HA       GLU   7 -14.470  -3.580   0.748
   54    HB2  GLU   7           HB2      GLU   7 -16.328  -5.934   0.444
   55    HB3  GLU   7           HB1      GLU   7 -14.988  -5.907   1.583
   56    HG2  GLU   7           HG2      GLU   7 -15.973  -3.937   2.666
   57    HG3  GLU   7           HG1      GLU   7 -17.334  -4.020   1.547
   58    H    ASP   8           HN       ASP   8 -15.166  -5.585  -2.102
   59    HA   ASP   8           HA       ASP   8 -12.751  -7.036  -2.076
   60    HB2  ASP   8           HB2      ASP   8 -14.809  -6.421  -4.068
   61    HB3  ASP   8           HB1      ASP   8 -13.203  -6.637  -4.759
   62    H    LYS   9           HN       LYS   9 -13.524  -3.903  -3.556
   63    HA   LYS   9           HA       LYS   9 -11.015  -3.441  -4.713
   64    HB2  LYS   9           HB2      LYS   9 -13.104  -1.490  -3.745
   65    HB3  LYS   9           HB1      LYS   9 -11.690  -1.028  -4.682
   66    HG2  LYS   9           HG2      LYS   9 -13.854  -2.917  -5.584
   67    HG3  LYS   9           HG1      LYS   9 -13.671  -1.234  -6.083
   68    HD2  LYS   9           HD2      LYS   9 -11.496  -1.759  -7.068
   69    HD3  LYS   9           HD1      LYS   9 -11.671  -3.440  -6.563
   70    HE2  LYS   9           HE2      LYS   9 -13.635  -3.677  -7.982
   71    HE3  LYS   9           HE1      LYS   9 -13.504  -1.987  -8.466
   72    HZ1  LYS   9           HZ1      LYS   9 -12.559  -3.508 -10.113
   73    HZ2  LYS   9           HZ2      LYS   9 -11.445  -4.065  -8.974
   74    HZ3  LYS   9           HZ3      LYS   9 -11.390  -2.459  -9.493
   75    H    VAL  10           HN       VAL  10 -12.242  -2.613  -1.490
   76    HA   VAL  10           HA       VAL  10 -10.061  -1.128  -0.575
   77    HB   VAL  10           HB       VAL  10 -11.572  -3.093   1.148
   78   HG11  VAL  10          HG11      VAL  10  -9.661  -2.079   2.218
   79   HG12  VAL  10          HG12      VAL  10 -11.146  -1.430   2.913
   80   HG13  VAL  10          HG13      VAL  10 -10.221  -0.473   1.753
   81   HG21  VAL  10          HG21      VAL  10 -13.262  -1.477   1.565
   82   HG22  VAL  10          HG22      VAL  10 -13.127  -1.650  -0.187
   83   HG23  VAL  10          HG23      VAL  10 -12.410  -0.257   0.623
   84    H    GLU  11           HN       GLU  11 -10.640  -4.632  -0.459
   85    HA   GLU  11           HA       GLU  11  -8.157  -5.195   0.855
   86    HB2  GLU  11           HB2      GLU  11  -9.968  -7.096  -0.656
   87    HB3  GLU  11           HB1      GLU  11  -8.736  -7.534   0.518
   88    HG2  GLU  11           HG2      GLU  11 -11.251  -5.981   1.083
   89    HG3  GLU  11           HG1      GLU  11 -10.957  -7.671   1.481
   90    H    GLU  12           HN       GLU  12  -9.056  -4.701  -2.446
   91    HA   GLU  12           HA       GLU  12  -6.908  -6.149  -3.633
   92    HB2  GLU  12           HB2      GLU  12  -8.572  -3.856  -4.687
   93    HB3  GLU  12           HB1      GLU  12  -7.368  -4.712  -5.639
   94    HG2  GLU  12           HG2      GLU  12  -9.889  -5.851  -4.457
   95    HG3  GLU  12           HG1      GLU  12  -9.545  -5.566  -6.162
   96    H    LEU  13           HN       LEU  13  -7.375  -2.788  -2.618
   97    HA   LEU  13           HA       LEU  13  -4.717  -1.998  -3.258
   98    HB2  LEU  13           HB2      LEU  13  -6.740  -0.850  -1.345
   99    HB3  LEU  13           HB1      LEU  13  -5.177  -0.116  -1.652
  100    HG   LEU  13           HG       LEU  13  -7.392  -0.512  -3.665
  101   HD11  LEU  13          HD11      LEU  13  -6.217   1.985  -2.461
  102   HD12  LEU  13          HD12      LEU  13  -7.777   1.279  -2.042
  103   HD13  LEU  13          HD13      LEU  13  -7.503   1.908  -3.666
  104   HD21  LEU  13          HD21      LEU  13  -5.241  -0.787  -4.746
  105   HD22  LEU  13          HD22      LEU  13  -4.644   0.691  -3.988
  106   HD23  LEU  13          HD23      LEU  13  -5.937   0.772  -5.183
  107    H    LEU  14           HN       LEU  14  -6.258  -3.531  -0.548
  108    HA   LEU  14           HA       LEU  14  -4.158  -3.376   1.319
  109    HB2  LEU  14           HB2      LEU  14  -6.589  -4.193   1.618
  110    HB3  LEU  14           HB1      LEU  14  -5.996  -5.736   1.040
  111    HG   LEU  14           HG       LEU  14  -4.317  -5.698   2.920
  112   HD11  LEU  14          HD11      LEU  14  -4.410  -3.284   3.352
  113   HD12  LEU  14          HD12      LEU  14  -4.756  -4.234   4.800
  114   HD13  LEU  14          HD13      LEU  14  -6.075  -3.466   3.915
  115   HD21  LEU  14          HD21      LEU  14  -6.339  -7.059   3.001
  116   HD22  LEU  14          HD22      LEU  14  -7.240  -5.693   3.658
  117   HD23  LEU  14          HD23      LEU  14  -5.938  -6.422   4.596
  118    H    SER  15           HN       SER  15  -4.680  -5.324  -1.474
  119    HA   SER  15           HA       SER  15  -2.817  -7.385  -0.894
  120    HB2  SER  15           HB2      SER  15  -3.862  -6.486  -3.593
  121    HB3  SER  15           HB1      SER  15  -3.109  -8.038  -3.222
  122    HG   SER  15           HG       SER  15  -5.307  -7.330  -1.671
  123    H    LYS  16           HN       LYS  16  -2.685  -4.364  -2.777
  124    HA   LYS  16           HA       LYS  16   0.119  -4.731  -3.273
  125    HB2  LYS  16           HB2      LYS  16   0.128  -2.489  -4.225
  126    HB3  LYS  16           HB1      LYS  16  -1.167  -3.459  -4.903
  127    HG2  LYS  16           HG2      LYS  16  -2.764  -2.313  -3.430
  128    HG3  LYS  16           HG1      LYS  16  -1.448  -1.316  -2.813
  129    HD2  LYS  16           HD2      LYS  16  -2.292  -1.451  -5.707
  130    HD3  LYS  16           HD1      LYS  16  -2.803  -0.202  -4.573
  131    HE2  LYS  16           HE2      LYS  16  -0.492   0.508  -4.280
  132    HE3  LYS  16           HE1      LYS  16   0.056  -0.789  -5.345
  133    HZ1  LYS  16           HZ1      LYS  16  -1.706   1.467  -6.140
  134    HZ2  LYS  16           HZ2      LYS  16  -1.163   0.229  -7.159
  135    HZ3  LYS  16           HZ3      LYS  16  -0.060   1.325  -6.503
  136    H    ASN  17           HN       ASN  17  -1.842  -3.174  -0.809
  137    HA   ASN  17           HA       ASN  17   0.143  -1.837   0.631
  138    HB2  ASN  17           HB2      ASN  17  -2.172  -3.532   1.596
  139    HB3  ASN  17           HB1      ASN  17  -1.084  -2.728   2.713
  140   HD21  ASN  17          HD21      ASN  17  -0.748  -0.355   1.154
  141   HD22  ASN  17          HD22      ASN  17  -2.246   0.503   1.218
  142    H    TYR  18           HN       TYR  18  -0.766  -5.261   0.624
  143    HA   TYR  18           HA       TYR  18   1.279  -6.129   2.376
  144    HB2  TYR  18           HB2      TYR  18  -0.735  -7.455   1.826
  145    HB3  TYR  18           HB1      TYR  18  -0.129  -7.680   0.191
  146    HD1  TYR  18           HD1      TYR  18   1.006  -8.196   3.718
  147    HD2  TYR  18           HD2      TYR  18   0.944  -9.664  -0.273
  148    HE1  TYR  18           HE1      TYR  18   2.191 -10.221   4.453
  149    HE2  TYR  18           HE2      TYR  18   2.129 -11.693   0.451
  150    HH   TYR  18           HH       TYR  18   2.529 -12.527   3.732
  151    H    HIS  19           HN       HIS  19   1.127  -5.839  -1.136
  152    HA   HIS  19           HA       HIS  19   3.579  -7.062  -1.751
  153    HB2  HIS  19           HB2      HIS  19   1.765  -6.550  -3.386
  154    HB3  HIS  19           HB1      HIS  19   2.198  -4.848  -3.281
  155    HD1  HIS  19           HD1      HIS  19   3.646  -4.116  -5.146
  156    HD2  HIS  19           HD2      HIS  19   4.222  -8.129  -4.222
  157    HE1  HIS  19           HE1      HIS  19   5.337  -4.959  -6.801
  158    HE2  HIS  19           HE2      HIS  19   5.766  -7.347  -6.139
  159    H    LEU  20           HN       LEU  20   2.784  -3.626  -1.295
  160    HA   LEU  20           HA       LEU  20   5.406  -2.636  -1.676
  161    HB2  LEU  20           HB2      LEU  20   3.264  -1.407   0.050
  162    HB3  LEU  20           HB1      LEU  20   4.599  -0.567  -0.698
  163    HG   LEU  20           HG       LEU  20   2.178  -1.722  -1.984
  164   HD11  LEU  20          HD11      LEU  20   1.858   0.454  -1.030
  165   HD12  LEU  20          HD12      LEU  20   1.827   0.551  -2.790
  166   HD13  LEU  20          HD13      LEU  20   3.263   1.067  -1.904
  167   HD21  LEU  20          HD21      LEU  20   4.037  -2.291  -3.418
  168   HD22  LEU  20          HD22      LEU  20   4.635  -0.634  -3.341
  169   HD23  LEU  20          HD23      LEU  20   3.107  -0.983  -4.150
  170    H    GLU  21           HN       GLU  21   3.536  -3.460   1.198
  171    HA   GLU  21           HA       GLU  21   5.410  -2.867   3.162
  172    HB2  GLU  21           HB2      GLU  21   3.153  -4.782   2.972
  173    HB3  GLU  21           HB1      GLU  21   4.318  -5.060   4.262
  174    HG2  GLU  21           HG2      GLU  21   2.824  -2.492   3.787
  175    HG3  GLU  21           HG1      GLU  21   2.393  -3.718   4.975
  176    H    ASN  22           HN       ASN  22   5.065  -5.917   1.350
  177    HA   ASN  22           HA       ASN  22   7.286  -7.208   2.503
  178    HB2  ASN  22           HB2      ASN  22   5.982  -7.542  -0.197
  179    HB3  ASN  22           HB1      ASN  22   7.309  -8.556   0.353
  180   HD21  ASN  22          HD21      ASN  22   6.372  -8.573   3.128
  181   HD22  ASN  22          HD22      ASN  22   5.002  -9.624   3.149
  182    H    GLU  23           HN       GLU  23   6.972  -5.070  -0.281
  183    HA   GLU  23           HA       GLU  23   9.613  -5.425  -1.240
  184    HB2  GLU  23           HB2      GLU  23   7.707  -4.501  -2.564
  185    HB3  GLU  23           HB1      GLU  23   7.822  -3.021  -1.621
  186    HG2  GLU  23           HG2      GLU  23   8.922  -2.732  -3.739
  187    HG3  GLU  23           HG1      GLU  23  10.113  -2.697  -2.441
  188    H    VAL  24           HN       VAL  24   8.151  -2.962   0.868
  189    HA   VAL  24           HA       VAL  24  10.431  -1.373   1.227
  190    HB   VAL  24           HB       VAL  24   8.219  -1.880   3.241
  191   HG11  VAL  24          HG11      VAL  24  10.205  -0.888   4.255
  192   HG12  VAL  24          HG12      VAL  24   8.878   0.273   4.195
  193   HG13  VAL  24          HG13      VAL  24  10.201   0.384   3.031
  194   HG21  VAL  24          HG21      VAL  24   7.356  -1.041   1.113
  195   HG22  VAL  24          HG22      VAL  24   8.495   0.303   1.179
  196   HG23  VAL  24          HG23      VAL  24   7.216   0.171   2.387
  197    H    ALA  25           HN       ALA  25   9.211  -4.128   3.108
  198    HA   ALA  25           HA       ALA  25  11.134  -4.103   5.133
  199    HB1  ALA  25           HB1      ALA  25  10.482  -6.421   5.555
  200    HB2  ALA  25           HB2      ALA  25   9.672  -6.483   3.989
  201    HB3  ALA  25           HB3      ALA  25   9.066  -5.412   5.252
  202    H    ARG  26           HN       ARG  26  11.155  -5.717   1.979
  203    HA   ARG  26           HA       ARG  26  13.573  -7.123   2.322
  204    HB2  ARG  26           HB2      ARG  26  12.267  -6.075  -0.195
  205    HB3  ARG  26           HB1      ARG  26  13.645  -7.165  -0.180
  206    HG2  ARG  26           HG2      ARG  26  10.944  -7.773   1.004
  207    HG3  ARG  26           HG1      ARG  26  11.513  -8.320  -0.573
  208    HD2  ARG  26           HD2      ARG  26  13.324  -9.549   0.490
  209    HD3  ARG  26           HD1      ARG  26  12.809  -8.967   2.072
  210    HE   ARG  26           HE       ARG  26  10.630 -10.247   0.915
  211   HH11  ARG  26          HH11      ARG  26  13.852 -11.060   1.992
  212   HH12  ARG  26          HH12      ARG  26  13.428 -12.678   2.459
  213   HH21  ARG  26          HH21      ARG  26  10.069 -12.391   1.494
  214   HH22  ARG  26          HH22      ARG  26  11.283 -13.438   2.162
  215    H    LEU  27           HN       LEU  27  12.898  -3.970   0.844
  216    HA   LEU  27           HA       LEU  27  15.578  -3.347   0.214
  217    HB2  LEU  27           HB2      LEU  27  13.034  -1.829   0.445
  218    HB3  LEU  27           HB1      LEU  27  14.525  -0.926   0.463
  219    HG   LEU  27           HG       LEU  27  15.077  -1.536  -1.736
  220   HD11  LEU  27          HD11      LEU  27  13.863  -3.219  -3.030
  221   HD12  LEU  27          HD12      LEU  27  12.879  -3.596  -1.615
  222   HD13  LEU  27          HD13      LEU  27  14.613  -3.921  -1.597
  223   HD21  LEU  27          HD21      LEU  27  13.097  -0.923  -3.043
  224   HD22  LEU  27          HD22      LEU  27  13.315   0.117  -1.636
  225   HD23  LEU  27          HD23      LEU  27  12.094  -1.154  -1.610
  226    H    LYS  28           HN       LYS  28  13.589  -2.705   3.052
  227    HA   LYS  28           HA       LYS  28  15.391  -0.970   4.348
  228    HB2  LYS  28           HB2      LYS  28  12.975  -1.202   4.896
  229    HB3  LYS  28           HB1      LYS  28  13.313  -2.777   5.591
  230    HG2  LYS  28           HG2      LYS  28  13.148  -1.290   7.400
  231    HG3  LYS  28           HG1      LYS  28  14.868  -1.605   7.191
  232    HD2  LYS  28           HD2      LYS  28  13.697   0.747   5.797
  233    HD3  LYS  28           HD1      LYS  28  13.916   0.846   7.542
  234    HE2  LYS  28           HE2      LYS  28  16.069   0.223   5.521
  235    HE3  LYS  28           HE1      LYS  28  15.840   1.761   6.343
  236    HZ1  LYS  28           HZ1      LYS  28  16.291   0.674   8.443
  237    HZ2  LYS  28           HZ2      LYS  28  17.577   0.430   7.373
  238    HZ3  LYS  28           HZ3      LYS  28  16.475  -0.820   7.669
  239    H    LYS  29           HN       LYS  29  15.269  -4.396   4.018
  240    HA   LYS  29           HA       LYS  29  17.003  -5.052   6.188
  241    HB2  LYS  29           HB2      LYS  29  15.438  -6.651   5.070
  242    HB3  LYS  29           HB1      LYS  29  16.460  -6.595   3.643
  243    HG2  LYS  29           HG2      LYS  29  16.957  -8.582   4.859
  244    HG3  LYS  29           HG1      LYS  29  18.329  -7.479   5.012
  245    HD2  LYS  29           HD2      LYS  29  17.577  -6.815   7.224
  246    HD3  LYS  29           HD1      LYS  29  16.147  -7.847   7.067
  247    HE2  LYS  29           HE2      LYS  29  17.867  -8.929   8.415
  248    HE3  LYS  29           HE1      LYS  29  17.582  -9.815   6.920
  249    HZ1  LYS  29           HZ1      LYS  29  19.936  -9.626   7.398
  250    HZ2  LYS  29           HZ2      LYS  29  19.829  -7.942   7.418
  251    HZ3  LYS  29           HZ3      LYS  29  19.558  -8.787   5.980
  252    H    LEU  30           HN       LEU  30  17.407  -4.317   2.782
  253    HA   LEU  30           HA       LEU  30  20.227  -4.792   2.735
  254    HB2  LEU  30           HB2      LEU  30  18.260  -3.596   0.817
  255    HB3  LEU  30           HB1      LEU  30  19.978  -3.397   0.537
  256    HG   LEU  30           HG       LEU  30  20.203  -5.890   0.573
  257   HD11  LEU  30          HD11      LEU  30  18.208  -7.246   0.262
  258   HD12  LEU  30          HD12      LEU  30  17.196  -5.824   0.509
  259   HD13  LEU  30          HD13      LEU  30  18.194  -6.435   1.827
  260   HD21  LEU  30          HD21      LEU  30  19.305  -6.205  -1.670
  261   HD22  LEU  30          HD22      LEU  30  20.105  -4.642  -1.513
  262   HD23  LEU  30          HD23      LEU  30  18.345  -4.737  -1.496
  263    H    VAL  31           HN       VAL  31  18.134  -1.959   2.998
  264    HA   VAL  31           HA       VAL  31  20.411  -0.225   3.532
  265    HB   VAL  31           HB       VAL  31  17.487   0.466   3.894
  266   HG11  VAL  31          HG11      VAL  31  18.250   2.761   3.502
  267   HG12  VAL  31          HG12      VAL  31  19.908   2.181   3.354
  268   HG13  VAL  31          HG13      VAL  31  19.058   2.036   4.891
  269   HG21  VAL  31          HG21      VAL  31  17.773  -0.362   1.630
  270   HG22  VAL  31          HG22      VAL  31  19.143   0.723   1.387
  271   HG23  VAL  31          HG23      VAL  31  17.525   1.384   1.620
  272    H    GLY  32           HN       GLY  32  19.877  -2.566   5.141
  273    HA2  GLY  32           HA2      GLY  32  19.637  -1.267   7.774
  274    HA3  GLY  32           HA1      GLY  32  18.824  -2.790   7.429
  275    H    GLU  33           HN       GLU  33  21.305  -3.367   5.682
  276    HA   GLU  33           HA       GLU  33  22.741  -4.726   7.807
  277    HB2  GLU  33           HB2      GLU  33  23.909  -5.875   5.912
  278    HB3  GLU  33           HB1      GLU  33  22.166  -6.102   5.932
  279    HG2  GLU  33           HG2      GLU  33  21.939  -4.371   4.208
  280    HG3  GLU  33           HG1      GLU  33  23.691  -4.198   4.169
  281    H1   GLY   1           HT1      GLY   1 -25.300   5.482   5.936
  282    H2   GLY   1           HT2      GLY   1 -24.049   4.462   6.428
  283    H3   GLY   1           HT3      GLY   1 -25.188   3.920   5.307
  284    HA2  GLY   1           HA1      GLY   1 -24.424   5.519   3.686
  285    HA3  GLY   1           HA2      GLY   1 -23.256   6.123   4.855
  286    H    SER   2           HN       SER   2 -23.598   4.186   2.230
  287    HA   SER   2           HA       SER   2 -21.504   2.323   3.096
  288    HB2  SER   2           HB2      SER   2 -22.213   1.123   0.913
  289    HB3  SER   2           HB1      SER   2 -23.296   1.044   2.302
  290    HG   SER   2           HG       SER   2 -24.739   1.912   1.070
  291    H    MET   3           HN       MET   3 -22.438   4.359   0.329
  292    HA   MET   3           HA       MET   3 -20.233   3.817  -1.273
  293    HB2  MET   3           HB2      MET   3 -21.864   6.352  -1.133
  294    HB3  MET   3           HB1      MET   3 -20.742   5.953  -2.423
  295    HG2  MET   3           HG2      MET   3 -23.188   4.352  -1.714
  296    HG3  MET   3           HG1      MET   3 -23.094   5.541  -3.011
  297    HE1  MET   3           HE1      MET   3 -21.276   2.275  -1.648
  298    HE2  MET   3           HE2      MET   3 -21.547   1.243  -3.050
  299    HE3  MET   3           HE3      MET   3 -22.920   1.895  -2.154
  300    H    LYS   4           HN       LYS   4 -20.649   6.687   0.820
  301    HA   LYS   4           HA       LYS   4 -18.032   7.626   0.155
  302    HB2  LYS   4           HB2      LYS   4 -18.483   9.470   1.645
  303    HB3  LYS   4           HB1      LYS   4 -19.897   9.165   0.650
  304    HG2  LYS   4           HG2      LYS   4 -20.886   7.909   2.562
  305    HG3  LYS   4           HG1      LYS   4 -19.511   8.415   3.538
  306    HD2  LYS   4           HD2      LYS   4 -21.241  10.406   2.104
  307    HD3  LYS   4           HD1      LYS   4 -21.678   9.784   3.693
  308    HE2  LYS   4           HE2      LYS   4 -20.544  11.840   4.036
  309    HE3  LYS   4           HE1      LYS   4 -19.435  10.558   4.509
  310    HZ1  LYS   4           HZ1      LYS   4 -18.461  12.404   3.159
  311    HZ2  LYS   4           HZ2      LYS   4 -19.360  11.847   1.839
  312    HZ3  LYS   4           HZ3      LYS   4 -18.186  10.856   2.546
  313    H    GLN   5           HN       GLN   5 -19.053   5.300   2.295
  314    HA   GLN   5           HA       GLN   5 -16.985   5.894   4.278
  315    HB2  GLN   5           HB2      GLN   5 -19.294   3.944   4.333
  316    HB3  GLN   5           HB1      GLN   5 -18.076   4.064   5.597
  317    HG2  GLN   5           HG2      GLN   5 -19.981   6.235   4.754
  318    HG3  GLN   5           HG1      GLN   5 -20.089   5.257   6.217
  319   HE21  GLN   5          HE21      GLN   5 -19.862   8.143   5.907
  320   HE22  GLN   5          HE22      GLN   5 -18.447   8.608   6.787
  321    H    LEU   6           HN       LEU   6 -18.192   3.327   2.182
  322    HA   LEU   6           HA       LEU   6 -15.995   1.593   2.602
  323    HB2  LEU   6           HB2      LEU   6 -18.205   1.777   0.608
  324    HB3  LEU   6           HB1      LEU   6 -16.822   0.783   0.214
  325    HG   LEU   6           HG       LEU   6 -18.737  -0.481   1.174
  326   HD11  LEU   6          HD11      LEU   6 -16.387  -1.276   1.332
  327   HD12  LEU   6          HD12      LEU   6 -17.442  -1.877   2.608
  328   HD13  LEU   6          HD13      LEU   6 -16.306  -0.577   2.950
  329   HD21  LEU   6          HD21      LEU   6 -19.553   1.188   2.745
  330   HD22  LEU   6          HD22      LEU   6 -18.075   1.034   3.694
  331   HD23  LEU   6          HD23      LEU   6 -19.189  -0.328   3.569
  332    H    GLU   7           HN       GLU   7 -16.801   3.979   0.079
  333    HA   GLU   7           HA       GLU   7 -14.409   3.652  -1.378
  334    HB2  GLU   7           HB2      GLU   7 -16.257   6.023  -1.138
  335    HB3  GLU   7           HB1      GLU   7 -14.872   5.986  -2.223
  336    HG2  GLU   7           HG2      GLU   7 -15.830   4.027  -3.349
  337    HG3  GLU   7           HG1      GLU   7 -17.235   4.123  -2.289
  338    H    ASP   8           HN       ASP   8 -15.202   5.657   1.447
  339    HA   ASP   8           HA       ASP   8 -12.778   7.090   1.524
  340    HB2  ASP   8           HB2      ASP   8 -14.917   6.479   3.430
  341    HB3  ASP   8           HB1      ASP   8 -13.338   6.688   4.183
  342    H    LYS   9           HN       LYS   9 -13.632   3.961   2.967
  343    HA   LYS   9           HA       LYS   9 -11.177   3.473   4.221
  344    HB2  LYS   9           HB2      LYS   9 -13.241   1.543   3.160
  345    HB3  LYS   9           HB1      LYS   9 -11.873   1.066   4.156
  346    HG2  LYS   9           HG2      LYS   9 -14.057   2.974   4.971
  347    HG3  LYS   9           HG1      LYS   9 -13.909   1.289   5.476
  348    HD2  LYS   9           HD2      LYS   9 -11.771   1.800   6.545
  349    HD3  LYS   9           HD1      LYS   9 -11.915   3.482   6.038
  350    HE2  LYS   9           HE2      LYS   9 -13.930   3.729   7.379
  351    HE3  LYS   9           HE1      LYS   9 -13.830   2.036   7.863
  352    HZ1  LYS   9           HZ1      LYS   9 -12.942   3.541   9.550
  353    HZ2  LYS   9           HZ2      LYS   9 -11.781   4.100   8.454
  354    HZ3  LYS   9           HZ3      LYS   9 -11.752   2.489   8.966
  355    H    VAL  10           HN       VAL  10 -12.280   2.660   0.949
  356    HA   VAL  10           HA       VAL  10 -10.076   1.160   0.118
  357    HB   VAL  10           HB       VAL  10 -11.500   3.141  -1.660
  358   HG11  VAL  10          HG11      VAL  10  -9.554   2.113  -2.650
  359   HG12  VAL  10          HG12      VAL  10 -11.014   1.480  -3.408
  360   HG13  VAL  10          HG13      VAL  10 -10.148   0.510  -2.214
  361   HG21  VAL  10          HG21      VAL  10 -13.184   1.540  -2.148
  362   HG22  VAL  10          HG22      VAL  10 -13.121   1.708  -0.393
  363   HG23  VAL  10          HG23      VAL  10 -12.381   0.311  -1.176
  364    H    GLU  11           HN       GLU  11 -10.621   4.666  -0.007
  365    HA   GLU  11           HA       GLU  11  -8.086   5.214  -1.224
  366    HB2  GLU  11           HB2      GLU  11  -9.945   7.124   0.217
  367    HB3  GLU  11           HB1      GLU  11  -8.662   7.556  -0.901
  368    HG2  GLU  11           HG2      GLU  11 -11.163   6.026  -1.578
  369    HG3  GLU  11           HG1      GLU  11 -10.839   7.716  -1.958
  370    H    GLU  12           HN       GLU  12  -9.117   4.719   2.040
  371    HA   GLU  12           HA       GLU  12  -7.009   6.157   3.313
  372    HB2  GLU  12           HB2      GLU  12  -8.725   3.874   4.301
  373    HB3  GLU  12           HB1      GLU  12  -7.558   4.727   5.302
  374    HG2  GLU  12           HG2      GLU  12 -10.024   5.873   4.016
  375    HG3  GLU  12           HG1      GLU  12  -9.755   5.581   5.733
  376    H    LEU  13           HN       LEU  13  -7.457   2.805   2.272
  377    HA   LEU  13           HA       LEU  13  -4.836   1.990   3.022
  378    HB2  LEU  13           HB2      LEU  13  -6.789   0.855   1.027
  379    HB3  LEU  13           HB1      LEU  13  -5.246   0.110   1.397
  380    HG   LEU  13           HG       LEU  13  -7.539   0.521   3.319
  381   HD11  LEU  13          HD11      LEU  13  -6.334  -1.984   2.162
  382   HD12  LEU  13          HD12      LEU  13  -7.870  -1.265   1.679
  383   HD13  LEU  13          HD13      LEU  13  -7.669  -1.898   3.313
  384   HD21  LEU  13          HD21      LEU  13  -5.431   0.774   4.489
  385   HD22  LEU  13          HD22      LEU  13  -4.818  -0.709   3.754
  386   HD23  LEU  13          HD23      LEU  13  -6.164  -0.778   4.895
  387    H    LEU  14           HN       LEU  14  -6.253   3.532   0.250
  388    HA   LEU  14           HA       LEU  14  -4.081   3.368  -1.526
  389    HB2  LEU  14           HB2      LEU  14  -6.490   4.200  -1.921
  390    HB3  LEU  14           HB1      LEU  14  -5.913   5.738  -1.317
  391    HG   LEU  14           HG       LEU  14  -4.157   5.688  -3.129
  392   HD11  LEU  14          HD11      LEU  14  -4.253   3.277  -3.569
  393   HD12  LEU  14          HD12      LEU  14  -4.535   4.232  -5.027
  394   HD13  LEU  14          HD13      LEU  14  -5.894   3.473  -4.197
  395   HD21  LEU  14          HD21      LEU  14  -6.162   7.067  -3.288
  396   HD22  LEU  14          HD22      LEU  14  -7.047   5.710  -3.984
  397   HD23  LEU  14          HD23      LEU  14  -5.701   6.431  -4.865
  398    H    SER  15           HN       SER  15  -4.703   5.314   1.248
  399    HA   SER  15           HA       SER  15  -2.802   7.360   0.745
  400    HB2  SER  15           HB2      SER  15  -3.948   6.466   3.401
  401    HB3  SER  15           HB1      SER  15  -3.182   8.015   3.056
  402    HG   SER  15           HG       SER  15  -5.308   7.336   1.411
  403    H    LYS  16           HN       LYS  16  -2.770   4.332   2.615
  404    HA   LYS  16           HA       LYS  16   0.012   4.679   3.232
  405    HB2  LYS  16           HB2      LYS  16  -0.035   2.438   4.182
  406    HB3  LYS  16           HB1      LYS  16  -1.349   3.420   4.807
  407    HG2  LYS  16           HG2      LYS  16  -2.894   2.285   3.270
  408    HG3  LYS  16           HG1      LYS  16  -1.561   1.278   2.704
  409    HD2  LYS  16           HD2      LYS  16  -2.518   1.418   5.562
  410    HD3  LYS  16           HD1      LYS  16  -2.991   0.172   4.409
  411    HE2  LYS  16           HE2      LYS  16  -0.673  -0.548   4.206
  412    HE3  LYS  16           HE1      LYS  16  -0.163   0.739   5.301
  413    HZ1  LYS  16           HZ1      LYS  16  -1.980  -1.501   6.006
  414    HZ2  LYS  16           HZ2      LYS  16  -1.466  -0.282   7.054
  415    HZ3  LYS  16           HZ3      LYS  16  -0.350  -1.388   6.436
  416    H    ASN  17           HN       ASN  17  -1.857   3.148   0.687
  417    HA   ASN  17           HA       ASN  17   0.176   1.794  -0.671
  418    HB2  ASN  17           HB2      ASN  17  -2.089   3.508  -1.720
  419    HB3  ASN  17           HB1      ASN  17  -0.961   2.701  -2.797
  420   HD21  ASN  17          HD21      ASN  17  -0.702   0.321  -1.227
  421   HD22  ASN  17          HD22      ASN  17  -2.202  -0.527  -1.359
  422    H    TYR  18           HN       TYR  18  -0.714   5.227  -0.702
  423    HA   TYR  18           HA       TYR  18   1.409   6.082  -2.363
  424    HB2  TYR  18           HB2      TYR  18  -0.615   7.423  -1.889
  425    HB3  TYR  18           HB1      TYR  18  -0.071   7.637  -0.229
  426    HD1  TYR  18           HD1      TYR  18   1.205   8.150  -3.705
  427    HD2  TYR  18           HD2      TYR  18   1.004   9.612   0.284
  428    HE1  TYR  18           HE1      TYR  18   2.440  10.161  -4.387
  429    HE2  TYR  18           HE2      TYR  18   2.242  11.629  -0.388
  430    HH   TYR  18           HH       TYR  18   2.756  12.471  -3.640
  431    H    HIS  19           HN       HIS  19   1.117   5.784   1.140
  432    HA   HIS  19           HA       HIS  19   3.552   6.990   1.856
  433    HB2  HIS  19           HB2      HIS  19   1.669   6.485   3.415
  434    HB3  HIS  19           HB1      HIS  19   2.095   4.781   3.321
  435    HD1  HIS  19           HD1      HIS  19   3.459   4.033   5.233
  436    HD2  HIS  19           HD2      HIS  19   4.096   8.048   4.365
  437    HE1  HIS  19           HE1      HIS  19   5.089   4.849   6.963
  438    HE2  HIS  19           HE2      HIS  19   5.535   7.251   6.360
  439    H    LEU  20           HN       LEU  20   2.750   3.558   1.368
  440    HA   LEU  20           HA       LEU  20   5.345   2.548   1.851
  441    HB2  LEU  20           HB2      LEU  20   3.268   1.339   0.036
  442    HB3  LEU  20           HB1      LEU  20   4.566   0.488   0.834
  443    HG   LEU  20           HG       LEU  20   2.105   1.659   2.027
  444   HD11  LEU  20          HD11      LEU  20   1.805  -0.514   1.053
  445   HD12  LEU  20          HD12      LEU  20   1.698  -0.613   2.810
  446   HD13  LEU  20          HD13      LEU  20   3.164  -1.142   1.985
  447   HD21  LEU  20          HD21      LEU  20   3.907   2.206   3.539
  448   HD22  LEU  20          HD22      LEU  20   4.495   0.544   3.477
  449   HD23  LEU  20          HD23      LEU  20   2.939   0.903   4.227
  450    H    GLU  21           HN       GLU  21   3.602   3.381  -1.098
  451    HA   GLU  21           HA       GLU  21   5.548   2.781  -2.984
  452    HB2  GLU  21           HB2      GLU  21   3.302   4.715  -2.880
  453    HB3  GLU  21           HB1      GLU  21   4.519   4.986  -4.120
  454    HG2  GLU  21           HG2      GLU  21   2.986   2.430  -3.715
  455    HG3  GLU  21           HG1      GLU  21   2.615   3.664  -4.916
  456    H    ASN  22           HN       ASN  22   5.156   5.834  -1.186
  457    HA   ASN  22           HA       ASN  22   7.435   7.108  -2.244
  458    HB2  ASN  22           HB2      ASN  22   6.021   7.446   0.400
  459    HB3  ASN  22           HB1      ASN  22   7.374   8.454  -0.093
  460   HD21  ASN  22          HD21      ASN  22   6.562   8.485  -2.899
  461   HD22  ASN  22          HD22      ASN  22   5.193   9.538  -2.979
  462    H    GLU  23           HN       GLU  23   6.986   4.957   0.516
  463    HA   GLU  23           HA       GLU  23   9.587   5.301   1.588
  464    HB2  GLU  23           HB2      GLU  23   7.625   4.388   2.834
  465    HB3  GLU  23           HB1      GLU  23   7.765   2.910   1.891
  466    HG2  GLU  23           HG2      GLU  23   8.779   2.606   4.051
  467    HG3  GLU  23           HG1      GLU  23  10.018   2.563   2.799
  468    H    VAL  24           HN       VAL  24   8.195   2.858  -0.586
  469    HA   VAL  24           HA       VAL  24  10.476   1.250  -0.851
  470    HB   VAL  24           HB       VAL  24   8.351   1.774  -2.951
  471   HG11  VAL  24          HG11      VAL  24  10.368   0.767  -3.885
  472   HG12  VAL  24          HG12      VAL  24   9.031  -0.384  -3.879
  473   HG13  VAL  24          HG13      VAL  24  10.304  -0.505  -2.663
  474   HG21  VAL  24          HG21      VAL  24   7.393   0.940  -0.864
  475   HG22  VAL  24          HG22      VAL  24   8.525  -0.414  -0.884
  476   HG23  VAL  24          HG23      VAL  24   7.298  -0.270  -2.143
  477    H    ALA  25           HN       ALA  25   9.353   4.020  -2.770
  478    HA   ALA  25           HA       ALA  25  11.350   3.978  -4.722
  479    HB1  ALA  25           HB1      ALA  25  10.736   6.302  -5.165
  480    HB2  ALA  25           HB2      ALA  25   9.869   6.372  -3.632
  481    HB3  ALA  25           HB3      ALA  25   9.300   5.306  -4.918
  482    H    ARG  26           HN       ARG  26  11.261   5.597  -1.573
  483    HA   ARG  26           HA       ARG  26  13.706   6.974  -1.807
  484    HB2  ARG  26           HB2      ARG  26  12.289   5.929   0.652
  485    HB3  ARG  26           HB1      ARG  26  13.671   7.013   0.693
  486    HG2  ARG  26           HG2      ARG  26  11.026   7.638  -0.601
  487    HG3  ARG  26           HG1      ARG  26  11.531   8.181   0.999
  488    HD2  ARG  26           HD2      ARG  26  13.394   9.395   0.012
  489    HD3  ARG  26           HD1      ARG  26  12.940   8.819  -1.589
  490    HE   ARG  26           HE       ARG  26  10.727  10.119  -0.523
  491   HH11  ARG  26          HH11      ARG  26  14.005  10.905  -1.472
  492   HH12  ARG  26          HH12      ARG  26  13.614  12.534  -1.923
  493   HH21  ARG  26          HH21      ARG  26  10.214  12.267  -1.099
  494   HH22  ARG  26          HH22      ARG  26  11.462  13.309  -1.705
  495    H    LEU  27           HN       LEU  27  12.946   3.825  -0.356
  496    HA   LEU  27           HA       LEU  27  15.591   3.177   0.374
  497    HB2  LEU  27           HB2      LEU  27  13.049   1.677   0.034
  498    HB3  LEU  27           HB1      LEU  27  14.533   0.764   0.079
  499    HG   LEU  27           HG       LEU  27  14.997   1.369   2.300
  500   HD11  LEU  27          HD11      LEU  27  13.744   3.062   3.548
  501   HD12  LEU  27          HD12      LEU  27  12.822   3.448   2.094
  502   HD13  LEU  27          HD13      LEU  27  14.557   3.761   2.148
  503   HD21  LEU  27          HD21      LEU  27  12.959   0.768   3.522
  504   HD22  LEU  27          HD22      LEU  27  13.228  -0.270   2.124
  505   HD23  LEU  27          HD23      LEU  27  12.019   1.010   2.050
  506    H    LYS  28           HN       LYS  28  13.713   2.556  -2.545
  507    HA   LYS  28           HA       LYS  28  15.553   0.809  -3.771
  508    HB2  LYS  28           HB2      LYS  28  13.161   1.064  -4.420
  509    HB3  LYS  28           HB1      LYS  28  13.545   2.637  -5.096
  510    HG2  LYS  28           HG2      LYS  28  13.438   1.150  -6.913
  511    HG3  LYS  28           HG1      LYS  28  15.152   1.453  -6.638
  512    HD2  LYS  28           HD2      LYS  28  13.906  -0.892  -5.293
  513    HD3  LYS  28           HD1      LYS  28  14.200  -0.992  -7.027
  514    HE2  LYS  28           HE2      LYS  28  16.267  -0.395  -4.911
  515    HE3  LYS  28           HE1      LYS  28  16.061  -1.925  -5.753
  516    HZ1  LYS  28           HZ1      LYS  28  16.607  -0.832  -7.821
  517    HZ2  LYS  28           HZ2      LYS  28  17.850  -0.601  -6.697
  518    HZ3  LYS  28           HZ3      LYS  28  16.770   0.658  -7.035
  519    H    LYS  29           HN       LYS  29  15.449   4.235  -3.432
  520    HA   LYS  29           HA       LYS  29  17.273   4.881  -5.533
  521    HB2  LYS  29           HB2      LYS  29  15.676   6.491  -4.477
  522    HB3  LYS  29           HB1      LYS  29  16.638   6.426  -3.009
  523    HG2  LYS  29           HG2      LYS  29  17.198   8.412  -4.204
  524    HG3  LYS  29           HG1      LYS  29  18.569   7.298  -4.301
  525    HD2  LYS  29           HD2      LYS  29  17.902   6.634  -6.542
  526    HD3  LYS  29           HD1      LYS  29  16.474   7.678  -6.443
  527    HE2  LYS  29           HE2      LYS  29  18.256   8.743  -7.725
  528    HE3  LYS  29           HE1      LYS  29  17.915   9.637  -6.245
  529    HZ1  LYS  29           HZ1      LYS  29  20.283   9.430  -6.617
  530    HZ2  LYS  29           HZ2      LYS  29  20.166   7.746  -6.645
  531    HZ3  LYS  29           HZ3      LYS  29  19.838   8.590  -5.220
  532    H    LEU  30           HN       LEU  30  17.533   4.139  -2.113
  533    HA   LEU  30           HA       LEU  30  20.352   4.588  -1.957
  534    HB2  LEU  30           HB2      LEU  30  18.302   3.406  -0.120
  535    HB3  LEU  30           HB1      LEU  30  20.006   3.194   0.227
  536    HG   LEU  30           HG       LEU  30  20.250   5.687   0.208
  537   HD11  LEU  30          HD11      LEU  30  18.255   7.059   0.438
  538   HD12  LEU  30          HD12      LEU  30  17.243   5.644   0.147
  539   HD13  LEU  30          HD13      LEU  30  18.299   6.251  -1.129
  540   HD21  LEU  30          HD21      LEU  30  19.257   6.007   2.412
  541   HD22  LEU  30          HD22      LEU  30  20.057   4.439   2.287
  542   HD23  LEU  30          HD23      LEU  30  18.298   4.543   2.193
  543    H    VAL  31           HN       VAL  31  18.245   1.771  -2.300
  544    HA   VAL  31           HA       VAL  31  20.526   0.021  -2.755
  545    HB   VAL  31           HB       VAL  31  17.615  -0.650  -3.236
  546   HG11  VAL  31          HG11      VAL  31  18.351  -2.951  -2.819
  547   HG12  VAL  31          HG12      VAL  31  20.004  -2.379  -2.601
  548   HG13  VAL  31          HG13      VAL  31  19.219  -2.227  -4.173
  549   HG21  VAL  31          HG21      VAL  31  17.819   0.177  -0.959
  550   HG22  VAL  31          HG22      VAL  31  19.170  -0.919  -0.665
  551   HG23  VAL  31          HG23      VAL  31  17.556  -1.567  -0.962
  552    H    GLY  32           HN       GLY  32  20.072   2.372  -4.378
  553    HA2  GLY  32           HA2      GLY  32  19.936   1.079  -7.020
  554    HA3  GLY  32           HA1      GLY  32  19.122   2.609  -6.706
  555    H    GLU  33           HN       GLU  33  21.526   3.168  -4.859
  556    HA   GLU  33           HA       GLU  33  23.069   4.508  -6.918
  557    HB2  GLU  33           HB2      GLU  33  24.168   5.644  -4.979
  558    HB3  GLU  33           HB1      GLU  33  22.430   5.886  -5.068
  559    HG2  GLU  33           HG2      GLU  33  22.116   4.160  -3.353
  560    HG3  GLU  33           HG1      GLU  33  23.864   3.969  -3.247
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1 -27.454  -5.934  -0.696
    2    H2   GLY   1           HT2      GLY   1 -25.920  -6.618  -0.875
    3    H3   GLY   1           HT3      GLY   1 -26.765  -6.078  -2.234
    4    HA2  GLY   1           HA1      GLY   1 -26.639  -3.803  -1.442
    5    HA3  GLY   1           HA2      GLY   1 -25.744  -4.370  -0.038
    6    H    SER   2           HN       SER   2 -23.919  -3.141  -0.538
    7    HA   SER   2           HA       SER   2 -22.398  -4.172  -2.834
    8    HB2  SER   2           HB2      SER   2 -21.341  -1.862  -2.933
    9    HB3  SER   2           HB1      SER   2 -23.026  -1.958  -3.443
   10    HG   SER   2           HG       SER   2 -23.623  -1.185  -1.378
   11    H    MET   3           HN       MET   3 -22.494  -4.828   0.110
   12    HA   MET   3           HA       MET   3 -20.210  -3.837   1.405
   13    HB2  MET   3           HB2      MET   3 -21.891  -6.287   1.769
   14    HB3  MET   3           HB1      MET   3 -20.414  -6.094   2.695
   15    HG2  MET   3           HG2      MET   3 -22.362  -5.375   3.953
   16    HG3  MET   3           HG1      MET   3 -21.256  -4.038   3.664
   17    HE1  MET   3           HE1      MET   3 -23.217  -1.501   1.728
   18    HE2  MET   3           HE2      MET   3 -21.741  -2.386   1.347
   19    HE3  MET   3           HE3      MET   3 -22.025  -1.812   2.990
   20    H    LYS   4           HN       LYS   4 -20.613  -6.387  -0.919
   21    HA   LYS   4           HA       LYS   4 -18.010  -7.529  -0.539
   22    HB2  LYS   4           HB2      LYS   4 -19.996  -7.824  -2.798
   23    HB3  LYS   4           HB1      LYS   4 -18.513  -8.754  -2.646
   24    HG2  LYS   4           HG2      LYS   4 -19.330  -9.720  -0.557
   25    HG3  LYS   4           HG1      LYS   4 -20.820  -8.788  -0.709
   26    HD2  LYS   4           HD2      LYS   4 -21.324  -9.931  -2.809
   27    HD3  LYS   4           HD1      LYS   4 -19.827 -10.851  -2.675
   28    HE2  LYS   4           HE2      LYS   4 -21.728 -12.184  -1.952
   29    HE3  LYS   4           HE1      LYS   4 -20.640 -11.866  -0.604
   30    HZ1  LYS   4           HZ1      LYS   4 -22.117 -10.167   0.186
   31    HZ2  LYS   4           HZ2      LYS   4 -22.992 -11.597  -0.023
   32    HZ3  LYS   4           HZ3      LYS   4 -23.132 -10.351  -1.154
   33    H    GLN   5           HN       GLN   5 -18.996  -4.662  -1.804
   34    HA   GLN   5           HA       GLN   5 -16.921  -4.570  -3.860
   35    HB2  GLN   5           HB2      GLN   5 -19.291  -2.805  -3.287
   36    HB3  GLN   5           HB1      GLN   5 -17.979  -2.277  -4.332
   37    HG2  GLN   5           HG2      GLN   5 -19.566  -4.789  -4.778
   38    HG3  GLN   5           HG1      GLN   5 -19.955  -3.233  -5.511
   39   HE21  GLN   5          HE21      GLN   5 -19.651  -4.014  -7.581
   40   HE22  GLN   5          HE22      GLN   5 -18.086  -4.366  -8.225
   41    H    LEU   6           HN       LEU   6 -18.050  -3.015  -0.899
   42    HA   LEU   6           HA       LEU   6 -15.873  -1.251  -0.568
   43    HB2  LEU   6           HB2      LEU   6 -17.601  -2.723   1.441
   44    HB3  LEU   6           HB1      LEU   6 -16.307  -1.696   1.988
   45    HG   LEU   6           HG       LEU   6 -17.572   0.132   0.633
   46   HD11  LEU   6          HD11      LEU   6 -19.660  -1.993   1.009
   47   HD12  LEU   6          HD12      LEU   6 -19.142  -1.222  -0.498
   48   HD13  LEU   6          HD13      LEU   6 -20.023  -0.292   0.713
   49   HD21  LEU   6          HD21      LEU   6 -18.928   0.619   2.618
   50   HD22  LEU   6          HD22      LEU   6 -17.285   0.143   3.045
   51   HD23  LEU   6          HD23      LEU   6 -18.610  -1.007   3.225
   52    H    GLU   7           HN       GLU   7 -16.509  -4.527   0.679
   53    HA   GLU   7           HA       GLU   7 -14.012  -4.888   1.899
   54    HB2  GLU   7           HB2      GLU   7 -16.015  -6.903   0.886
   55    HB3  GLU   7           HB1      GLU   7 -14.600  -7.328   1.841
   56    HG2  GLU   7           HG2      GLU   7 -15.410  -5.992   3.689
   57    HG3  GLU   7           HG1      GLU   7 -16.798  -5.473   2.734
   58    H    ASP   8           HN       ASP   8 -15.081  -5.554  -1.428
   59    HA   ASP   8           HA       ASP   8 -12.686  -7.112  -1.931
   60    HB2  ASP   8           HB2      ASP   8 -15.027  -6.323  -3.565
   61    HB3  ASP   8           HB1      ASP   8 -13.537  -6.697  -4.424
   62    H    LYS   9           HN       LYS   9 -13.691  -3.793  -2.627
   63    HA   LYS   9           HA       LYS   9 -11.434  -3.309  -4.325
   64    HB2  LYS   9           HB2      LYS   9 -13.434  -1.426  -3.080
   65    HB3  LYS   9           HB1      LYS   9 -12.173  -0.918  -4.193
   66    HG2  LYS   9           HG2      LYS   9 -14.324  -2.922  -4.845
   67    HG3  LYS   9           HG1      LYS   9 -14.379  -1.209  -5.263
   68    HD2  LYS   9           HD2      LYS   9 -12.359  -1.465  -6.608
   69    HD3  LYS   9           HD1      LYS   9 -12.270  -3.170  -6.168
   70    HE2  LYS   9           HE2      LYS   9 -14.561  -1.891  -7.654
   71    HE3  LYS   9           HE1      LYS   9 -13.244  -2.781  -8.413
   72    HZ1  LYS   9           HZ1      LYS   9 -13.918  -4.720  -7.044
   73    HZ2  LYS   9           HZ2      LYS   9 -15.079  -4.243  -8.172
   74    HZ3  LYS   9           HZ3      LYS   9 -15.282  -3.854  -6.538
   75    H    VAL  10           HN       VAL  10 -12.203  -2.621  -0.938
   76    HA   VAL  10           HA       VAL  10  -9.918  -1.016  -0.445
   77    HB   VAL  10           HB       VAL  10 -11.376  -2.696   1.592
   78   HG11  VAL  10          HG11      VAL  10 -10.599  -0.980   3.172
   79   HG12  VAL  10          HG12      VAL  10  -9.710  -0.206   1.858
   80   HG13  VAL  10          HG13      VAL  10  -9.266  -1.830   2.391
   81   HG21  VAL  10          HG21      VAL  10 -11.960   0.140   0.778
   82   HG22  VAL  10          HG22      VAL  10 -12.755  -0.761   2.069
   83   HG23  VAL  10          HG23      VAL  10 -12.957  -1.262   0.390
   84    H    GLU  11           HN       GLU  11 -10.589  -4.460   0.176
   85    HA   GLU  11           HA       GLU  11  -8.001  -4.998   1.219
   86    HB2  GLU  11           HB2      GLU  11 -10.128  -6.852   0.133
   87    HB3  GLU  11           HB1      GLU  11  -8.647  -7.400   0.907
   88    HG2  GLU  11           HG2      GLU  11  -9.283  -6.244   2.957
   89    HG3  GLU  11           HG1      GLU  11 -10.766  -5.687   2.185
   90    H    GLU  12           HN       GLU  12  -9.133  -4.562  -1.953
   91    HA   GLU  12           HA       GLU  12  -7.214  -6.099  -3.363
   92    HB2  GLU  12           HB2      GLU  12  -9.240  -5.150  -4.431
   93    HB3  GLU  12           HB1      GLU  12  -8.598  -3.534  -4.191
   94    HG2  GLU  12           HG2      GLU  12  -8.261  -4.214  -6.470
   95    HG3  GLU  12           HG1      GLU  12  -6.704  -4.088  -5.653
   96    H    LEU  13           HN       LEU  13  -7.337  -2.707  -2.300
   97    HA   LEU  13           HA       LEU  13  -4.612  -2.207  -3.019
   98    HB2  LEU  13           HB2      LEU  13  -6.531  -0.719  -1.240
   99    HB3  LEU  13           HB1      LEU  13  -4.895  -0.172  -1.553
  100    HG   LEU  13           HG       LEU  13  -7.089  -0.493  -3.602
  101   HD11  LEU  13          HD11      LEU  13  -7.313   1.441  -2.099
  102   HD12  LEU  13          HD12      LEU  13  -6.987   1.912  -3.766
  103   HD13  LEU  13          HD13      LEU  13  -5.696   1.967  -2.566
  104   HD21  LEU  13          HD21      LEU  13  -4.229   0.419  -3.920
  105   HD22  LEU  13          HD22      LEU  13  -5.480   0.534  -5.159
  106   HD23  LEU  13          HD23      LEU  13  -4.946  -1.046  -4.591
  107    H    LEU  14           HN       LEU  14  -6.227  -3.512  -0.249
  108    HA   LEU  14           HA       LEU  14  -4.139  -3.354   1.635
  109    HB2  LEU  14           HB2      LEU  14  -6.532  -4.083   2.027
  110    HB3  LEU  14           HB1      LEU  14  -6.098  -5.623   1.316
  111    HG   LEU  14           HG       LEU  14  -4.371  -5.889   3.122
  112   HD11  LEU  14          HD11      LEU  14  -5.819  -3.533   4.317
  113   HD12  LEU  14          HD12      LEU  14  -4.156  -3.530   3.724
  114   HD13  LEU  14          HD13      LEU  14  -4.595  -4.516   5.120
  115   HD21  LEU  14          HD21      LEU  14  -5.998  -6.543   4.821
  116   HD22  LEU  14          HD22      LEU  14  -6.535  -7.016   3.210
  117   HD23  LEU  14          HD23      LEU  14  -7.244  -5.606   3.998
  118    H    SER  15           HN       SER  15  -4.788  -5.474  -1.035
  119    HA   SER  15           HA       SER  15  -2.796  -7.416  -0.443
  120    HB2  SER  15           HB2      SER  15  -4.162  -6.782  -3.073
  121    HB3  SER  15           HB1      SER  15  -3.246  -8.245  -2.709
  122    HG   SER  15           HG       SER  15  -5.609  -7.387  -1.368
  123    H    LYS  16           HN       LYS  16  -2.949  -4.467  -2.401
  124    HA   LYS  16           HA       LYS  16  -0.290  -4.673  -3.350
  125    HB2  LYS  16           HB2      LYS  16  -2.286  -2.505  -3.242
  126    HB3  LYS  16           HB1      LYS  16  -0.595  -2.004  -3.201
  127    HG2  LYS  16           HG2      LYS  16  -0.616  -3.838  -5.234
  128    HG3  LYS  16           HG1      LYS  16  -2.186  -3.049  -5.408
  129    HD2  LYS  16           HD2      LYS  16   0.453  -1.598  -5.179
  130    HD3  LYS  16           HD1      LYS  16  -0.375  -1.940  -6.699
  131    HE2  LYS  16           HE2      LYS  16  -1.669  -0.413  -4.456
  132    HE3  LYS  16           HE1      LYS  16  -0.711   0.381  -5.706
  133    HZ1  LYS  16           HZ1      LYS  16  -3.151  -1.260  -6.142
  134    HZ2  LYS  16           HZ2      LYS  16  -2.216  -0.565  -7.366
  135    HZ3  LYS  16           HZ3      LYS  16  -3.040   0.422  -6.274
  136    H    ASN  17           HN       ASN  17  -1.680  -2.954  -0.525
  137    HA   ASN  17           HA       ASN  17   0.705  -1.977   0.554
  138    HB2  ASN  17           HB2      ASN  17  -1.839  -2.952   1.856
  139    HB3  ASN  17           HB1      ASN  17  -0.467  -2.450   2.836
  140   HD21  ASN  17          HD21      ASN  17  -3.086  -1.446   0.875
  141   HD22  ASN  17          HD22      ASN  17  -2.867   0.258   1.083
  142    H    TYR  18           HN       TYR  18  -0.727  -5.215   0.713
  143    HA   TYR  18           HA       TYR  18   1.162  -6.339   2.478
  144    HB2  TYR  18           HB2      TYR  18  -0.902  -7.497   1.884
  145    HB3  TYR  18           HB1      TYR  18  -0.376  -7.627   0.210
  146    HD1  TYR  18           HD1      TYR  18   0.920  -8.504   3.611
  147    HD2  TYR  18           HD2      TYR  18   0.424  -9.678  -0.445
  148    HE1  TYR  18           HE1      TYR  18   1.958 -10.673   4.116
  149    HE2  TYR  18           HE2      TYR  18   1.461 -11.850   0.051
  150    HH   TYR  18           HH       TYR  18   2.085 -12.900   3.273
  151    H    HIS  19           HN       HIS  19   1.095  -6.433  -1.088
  152    HA   HIS  19           HA       HIS  19   3.641  -7.667  -1.309
  153    HB2  HIS  19           HB2      HIS  19   1.827  -7.775  -3.027
  154    HB3  HIS  19           HB1      HIS  19   2.157  -6.093  -3.420
  155    HD1  HIS  19           HD1      HIS  19   3.693  -9.524  -3.657
  156    HD2  HIS  19           HD2      HIS  19   4.319  -5.676  -5.094
  157    HE1  HIS  19           HE1      HIS  19   5.450  -9.746  -5.440
  158    HE2  HIS  19           HE2      HIS  19   5.696  -7.431  -6.396
  159    H    LEU  20           HN       LEU  20   2.576  -4.298  -1.452
  160    HA   LEU  20           HA       LEU  20   5.015  -3.228  -2.335
  161    HB2  LEU  20           HB2      LEU  20   2.892  -2.091  -2.628
  162    HB3  LEU  20           HB1      LEU  20   2.644  -2.024  -0.896
  163    HG   LEU  20           HG       LEU  20   4.417  -0.516  -0.635
  164   HD11  LEU  20          HD11      LEU  20   5.596   0.436  -2.570
  165   HD12  LEU  20          HD12      LEU  20   4.824  -0.772  -3.594
  166   HD13  LEU  20          HD13      LEU  20   5.943  -1.274  -2.326
  167   HD21  LEU  20          HD21      LEU  20   3.572   1.420  -1.871
  168   HD22  LEU  20          HD22      LEU  20   2.274   0.458  -1.149
  169   HD23  LEU  20          HD23      LEU  20   2.613   0.329  -2.874
  170    H    GLU  21           HN       GLU  21   3.691  -3.925   0.875
  171    HA   GLU  21           HA       GLU  21   5.870  -2.713   2.275
  172    HB2  GLU  21           HB2      GLU  21   3.440  -3.360   3.112
  173    HB3  GLU  21           HB1      GLU  21   4.218  -4.889   3.496
  174    HG2  GLU  21           HG2      GLU  21   5.158  -2.211   4.499
  175    HG3  GLU  21           HG1      GLU  21   4.079  -3.282   5.388
  176    H    ASN  22           HN       ASN  22   5.115  -5.937   1.059
  177    HA   ASN  22           HA       ASN  22   7.351  -7.276   2.132
  178    HB2  ASN  22           HB2      ASN  22   5.822  -7.736  -0.438
  179    HB3  ASN  22           HB1      ASN  22   7.117  -8.790   0.109
  180   HD21  ASN  22          HD21      ASN  22   6.353  -8.488   2.932
  181   HD22  ASN  22          HD22      ASN  22   4.931  -9.447   3.133
  182    H    GLU  23           HN       GLU  23   6.909  -5.299  -0.739
  183    HA   GLU  23           HA       GLU  23   9.527  -5.627  -1.774
  184    HB2  GLU  23           HB2      GLU  23   7.614  -4.759  -3.086
  185    HB3  GLU  23           HB1      GLU  23   7.619  -3.302  -2.105
  186    HG2  GLU  23           HG2      GLU  23   9.806  -2.704  -2.933
  187    HG3  GLU  23           HG1      GLU  23   9.900  -4.211  -3.845
  188    H    VAL  24           HN       VAL  24   8.074  -3.318   0.480
  189    HA   VAL  24           HA       VAL  24  10.296  -1.660   0.864
  190    HB   VAL  24           HB       VAL  24   8.043  -2.395   2.762
  191   HG11  VAL  24          HG11      VAL  24   8.769  -0.551   4.176
  192   HG12  VAL  24          HG12      VAL  24  10.145  -0.248   3.111
  193   HG13  VAL  24          HG13      VAL  24  10.062  -1.746   4.043
  194   HG21  VAL  24          HG21      VAL  24   7.375  -1.115   0.832
  195   HG22  VAL  24          HG22      VAL  24   8.651   0.063   1.143
  196   HG23  VAL  24          HG23      VAL  24   7.316  -0.109   2.279
  197    H    ALA  25           HN       ALA  25   9.299  -4.607   2.590
  198    HA   ALA  25           HA       ALA  25  11.374  -4.655   4.472
  199    HB1  ALA  25           HB1      ALA  25   9.361  -6.037   4.663
  200    HB2  ALA  25           HB2      ALA  25  10.822  -7.022   4.767
  201    HB3  ALA  25           HB3      ALA  25   9.882  -6.991   3.274
  202    H    ARG  26           HN       ARG  26  11.162  -5.982   1.214
  203    HA   ARG  26           HA       ARG  26  13.602  -7.329   1.090
  204    HB2  ARG  26           HB2      ARG  26  11.899  -7.476  -0.666
  205    HB3  ARG  26           HB1      ARG  26  12.168  -5.790  -1.082
  206    HG2  ARG  26           HG2      ARG  26  14.454  -6.324  -1.767
  207    HG3  ARG  26           HG1      ARG  26  14.174  -8.018  -1.359
  208    HD2  ARG  26           HD2      ARG  26  12.700  -6.416  -3.444
  209    HD3  ARG  26           HD1      ARG  26  13.918  -7.652  -3.750
  210    HE   ARG  26           HE       ARG  26  11.915  -8.826  -2.217
  211   HH11  ARG  26          HH11      ARG  26  12.273  -7.412  -5.391
  212   HH12  ARG  26          HH12      ARG  26  11.029  -8.385  -6.108
  213   HH21  ARG  26          HH21      ARG  26  10.266 -10.100  -3.143
  214   HH22  ARG  26          HH22      ARG  26   9.885  -9.919  -4.830
  215    H    LEU  27           HN       LEU  27  12.852  -3.999   0.133
  216    HA   LEU  27           HA       LEU  27  15.483  -3.239  -0.479
  217    HB2  LEU  27           HB2      LEU  27  12.965  -1.780   0.160
  218    HB3  LEU  27           HB1      LEU  27  14.468  -0.907   0.154
  219    HG   LEU  27           HG       LEU  27  14.808  -1.233  -2.155
  220   HD11  LEU  27          HD11      LEU  27  14.218  -3.597  -2.306
  221   HD12  LEU  27          HD12      LEU  27  13.393  -2.656  -3.547
  222   HD13  LEU  27          HD13      LEU  27  12.513  -3.191  -2.116
  223   HD21  LEU  27          HD21      LEU  27  11.889  -0.730  -1.633
  224   HD22  LEU  27          HD22      LEU  27  12.720  -0.381  -3.148
  225   HD23  LEU  27          HD23      LEU  27  13.182   0.468  -1.673
  226    H    LYS  28           HN       LYS  28  13.642  -3.103   2.525
  227    HA   LYS  28           HA       LYS  28  15.368  -1.492   4.013
  228    HB2  LYS  28           HB2      LYS  28  13.119  -2.081   4.772
  229    HB3  LYS  28           HB1      LYS  28  13.602  -3.759   4.955
  230    HG2  LYS  28           HG2      LYS  28  13.519  -2.642   7.102
  231    HG3  LYS  28           HG1      LYS  28  15.167  -3.131   6.714
  232    HD2  LYS  28           HD2      LYS  28  15.236  -0.925   7.640
  233    HD3  LYS  28           HD1      LYS  28  15.598  -0.807   5.919
  234    HE2  LYS  28           HE2      LYS  28  13.318  -0.103   5.467
  235    HE3  LYS  28           HE1      LYS  28  12.906  -0.284   7.172
  236    HZ1  LYS  28           HZ1      LYS  28  14.488   1.457   7.702
  237    HZ2  LYS  28           HZ2      LYS  28  13.346   2.025   6.597
  238    HZ3  LYS  28           HZ3      LYS  28  14.902   1.625   6.074
  239    H    LYS  29           HN       LYS  29  15.345  -5.017   3.583
  240    HA   LYS  29           HA       LYS  29  17.613  -5.433   5.279
  241    HB2  LYS  29           HB2      LYS  29  16.393  -7.255   3.198
  242    HB3  LYS  29           HB1      LYS  29  17.583  -7.734   4.401
  243    HG2  LYS  29           HG2      LYS  29  15.959  -7.119   6.174
  244    HG3  LYS  29           HG1      LYS  29  14.765  -6.806   4.911
  245    HD2  LYS  29           HD2      LYS  29  16.146  -9.443   5.429
  246    HD3  LYS  29           HD1      LYS  29  14.481  -9.039   5.874
  247    HE2  LYS  29           HE2      LYS  29  13.919  -8.745   3.518
  248    HE3  LYS  29           HE1      LYS  29  15.583  -9.105   3.066
  249    HZ1  LYS  29           HZ1      LYS  29  14.207 -11.039   2.778
  250    HZ2  LYS  29           HZ2      LYS  29  13.687 -10.967   4.385
  251    HZ3  LYS  29           HZ3      LYS  29  15.304 -11.319   4.035
  252    H    LEU  30           HN       LEU  30  17.220  -4.353   2.100
  253    HA   LEU  30           HA       LEU  30  19.816  -5.248   1.182
  254    HB2  LEU  30           HB2      LEU  30  17.687  -3.550  -0.087
  255    HB3  LEU  30           HB1      LEU  30  19.234  -3.871  -0.847
  256    HG   LEU  30           HG       LEU  30  17.353  -6.073  -0.008
  257   HD11  LEU  30          HD11      LEU  30  16.725  -6.182  -2.395
  258   HD12  LEU  30          HD12      LEU  30  17.565  -4.650  -2.648
  259   HD13  LEU  30          HD13      LEU  30  16.162  -4.726  -1.580
  260   HD21  LEU  30          HD21      LEU  30  19.749  -5.952  -1.833
  261   HD22  LEU  30          HD22      LEU  30  18.645  -7.321  -1.748
  262   HD23  LEU  30          HD23      LEU  30  19.587  -6.864  -0.333
  263    H    VAL  31           HN       VAL  31  18.271  -2.277   2.297
  264    HA   VAL  31           HA       VAL  31  20.673  -0.712   2.118
  265    HB   VAL  31           HB       VAL  31  18.299  -0.253   3.944
  266   HG11  VAL  31          HG11      VAL  31  20.278   1.040   4.547
  267   HG12  VAL  31          HG12      VAL  31  19.010   2.086   3.910
  268   HG13  VAL  31          HG13      VAL  31  20.387   1.657   2.898
  269   HG21  VAL  31          HG21      VAL  31  18.747   0.769   1.142
  270   HG22  VAL  31          HG22      VAL  31  17.438   1.258   2.218
  271   HG23  VAL  31          HG23      VAL  31  17.530  -0.406   1.644
  272    H    GLY  32           HN       GLY  32  19.205  -2.888   4.365
  273    HA2  GLY  32           HA2      GLY  32  20.793  -2.256   6.637
  274    HA3  GLY  32           HA1      GLY  32  19.834  -3.709   6.401
  275    H    GLU  33           HN       GLU  33  20.861  -5.086   4.487
  276    HA   GLU  33           HA       GLU  33  22.473  -6.575   3.953
  277    HB2  GLU  33           HB2      GLU  33  24.326  -4.279   4.607
  278    HB3  GLU  33           HB1      GLU  33  24.822  -5.773   3.824
  279    HG2  GLU  33           HG2      GLU  33  22.828  -3.802   2.732
  280    HG3  GLU  33           HG1      GLU  33  24.512  -3.947   2.233
  281    H1   GLY   1           HT1      GLY   1 -27.413   6.103  -0.451
  282    H2   GLY   1           HT2      GLY   1 -25.883   6.777  -0.215
  283    H3   GLY   1           HT3      GLY   1 -26.782   6.239   1.113
  284    HA2  GLY   1           HA1      GLY   1 -26.644   3.965   0.324
  285    HA3  GLY   1           HA2      GLY   1 -25.692   4.526  -1.044
  286    H    SER   2           HN       SER   2 -23.897   3.277  -0.473
  287    HA   SER   2           HA       SER   2 -22.461   4.292   1.886
  288    HB2  SER   2           HB2      SER   2 -21.427   1.975   2.016
  289    HB3  SER   2           HB1      SER   2 -23.129   2.081   2.461
  290    HG   SER   2           HG       SER   2 -23.657   1.310   0.386
  291    H    MET   3           HN       MET   3 -22.427   4.958  -1.058
  292    HA   MET   3           HA       MET   3 -20.103   3.950  -2.264
  293    HB2  MET   3           HB2      MET   3 -21.748   6.412  -2.687
  294    HB3  MET   3           HB1      MET   3 -20.236   6.214  -3.554
  295    HG2  MET   3           HG2      MET   3 -22.132   5.511  -4.897
  296    HG3  MET   3           HG1      MET   3 -21.054   4.163  -4.560
  297    HE1  MET   3           HE1      MET   3 -23.119   1.641  -2.716
  298    HE2  MET   3           HE2      MET   3 -21.651   2.509  -2.276
  299    HE3  MET   3           HE3      MET   3 -21.876   1.941  -3.930
  300    H    LYS   4           HN       LYS   4 -20.579   6.499   0.045
  301    HA   LYS   4           HA       LYS   4 -17.954   7.625  -0.219
  302    HB2  LYS   4           HB2      LYS   4 -20.033   7.928   1.955
  303    HB3  LYS   4           HB1      LYS   4 -18.536   8.843   1.871
  304    HG2  LYS   4           HG2      LYS   4 -19.251   9.826  -0.247
  305    HG3  LYS   4           HG1      LYS   4 -20.755   8.906  -0.164
  306    HD2  LYS   4           HD2      LYS   4 -21.337  10.047   1.920
  307    HD3  LYS   4           HD1      LYS   4 -19.830  10.958   1.846
  308    HE2  LYS   4           HE2      LYS   4 -21.690  12.306   1.049
  309    HE3  LYS   4           HE1      LYS   4 -20.551  11.980  -0.256
  310    HZ1  LYS   4           HZ1      LYS   4 -22.012  10.294  -1.104
  311    HZ2  LYS   4           HZ2      LYS   4 -22.883  11.731  -0.929
  312    HZ3  LYS   4           HZ3      LYS   4 -23.076  10.484   0.194
  313    H    GLN   5           HN       GLN   5 -19.016   4.766   0.999
  314    HA   GLN   5           HA       GLN   5 -17.027   4.651   3.134
  315    HB2  GLN   5           HB2      GLN   5 -19.387   2.904   2.465
  316    HB3  GLN   5           HB1      GLN   5 -18.121   2.367   3.560
  317    HG2  GLN   5           HG2      GLN   5 -19.703   4.891   3.950
  318    HG3  GLN   5           HG1      GLN   5 -20.140   3.338   4.659
  319   HE21  GLN   5          HE21      GLN   5 -19.912   4.101   6.745
  320   HE22  GLN   5          HE22      GLN   5 -18.370   4.440   7.454
  321    H    LEU   6           HN       LEU   6 -18.046   3.109   0.125
  322    HA   LEU   6           HA       LEU   6 -15.872   1.326  -0.119
  323    HB2  LEU   6           HB2      LEU   6 -17.505   2.816  -2.193
  324    HB3  LEU   6           HB1      LEU   6 -16.197   1.781  -2.691
  325    HG   LEU   6           HG       LEU   6 -17.529  -0.040  -1.388
  326   HD11  LEU   6          HD11      LEU   6 -19.582   2.102  -1.850
  327   HD12  LEU   6          HD12      LEU   6 -19.134   1.326  -0.324
  328   HD13  LEU   6          HD13      LEU   6 -19.972   0.404  -1.571
  329   HD21  LEU   6          HD21      LEU   6 -18.806  -0.515  -3.428
  330   HD22  LEU   6          HD22      LEU   6 -17.142  -0.051  -3.786
  331   HD23  LEU   6          HD23      LEU   6 -18.451   1.108  -4.018
  332    H    GLU   7           HN       GLU   7 -16.430   4.606  -1.386
  333    HA   GLU   7           HA       GLU   7 -13.884   4.948  -2.503
  334    HB2  GLU   7           HB2      GLU   7 -15.908   6.977  -1.568
  335    HB3  GLU   7           HB1      GLU   7 -14.453   7.389  -2.464
  336    HG2  GLU   7           HG2      GLU   7 -15.199   6.063  -4.346
  337    HG3  GLU   7           HG1      GLU   7 -16.630   5.561  -3.446
  338    H    ASP   8           HN       ASP   8 -15.082   5.624   0.779
  339    HA   ASP   8           HA       ASP   8 -12.693   7.155   1.380
  340    HB2  ASP   8           HB2      ASP   8 -15.107   6.392   2.919
  341    HB3  ASP   8           HB1      ASP   8 -13.646   6.762   3.834
  342    H    LYS   9           HN       LYS   9 -13.757   3.847   2.030
  343    HA   LYS   9           HA       LYS   9 -11.571   3.344   3.818
  344    HB2  LYS   9           HB2      LYS   9 -13.536   1.479   2.488
  345    HB3  LYS   9           HB1      LYS   9 -12.323   0.958   3.650
  346    HG2  LYS   9           HG2      LYS   9 -14.484   2.979   4.223
  347    HG3  LYS   9           HG1      LYS   9 -14.569   1.266   4.634
  348    HD2  LYS   9           HD2      LYS   9 -12.605   1.501   6.062
  349    HD3  LYS   9           HD1      LYS   9 -12.480   3.204   5.627
  350    HE2  LYS   9           HE2      LYS   9 -14.840   1.951   7.022
  351    HE3  LYS   9           HE1      LYS   9 -13.545   2.831   7.831
  352    HZ1  LYS   9           HZ1      LYS   9 -14.149   4.772   6.432
  353    HZ2  LYS   9           HZ2      LYS   9 -15.360   4.310   7.511
  354    HZ3  LYS   9           HZ3      LYS   9 -15.499   3.918   5.873
  355    H    VAL  10           HN       VAL  10 -12.211   2.670   0.398
  356    HA   VAL  10           HA       VAL  10  -9.921   1.045  -0.003
  357    HB   VAL  10           HB       VAL  10 -11.282   2.740  -2.096
  358   HG11  VAL  10          HG11      VAL  10 -10.453   1.016  -3.642
  359   HG12  VAL  10          HG12      VAL  10  -9.623   0.237  -2.292
  360   HG13  VAL  10          HG13      VAL  10  -9.147   1.858  -2.808
  361   HG21  VAL  10          HG21      VAL  10 -11.921  -0.093  -1.308
  362   HG22  VAL  10          HG22      VAL  10 -12.655   0.815  -2.628
  363   HG23  VAL  10          HG23      VAL  10 -12.920   1.317  -0.958
  364    H    GLU  11           HN       GLU  11 -10.538   4.496  -0.637
  365    HA   GLU  11           HA       GLU  11  -7.904   5.015  -1.578
  366    HB2  GLU  11           HB2      GLU  11 -10.061   6.886  -0.575
  367    HB3  GLU  11           HB1      GLU  11  -8.546   7.423  -1.290
  368    HG2  GLU  11           HG2      GLU  11  -9.113   6.281  -3.370
  369    HG3  GLU  11           HG1      GLU  11 -10.626   5.727  -2.657
  370    H    GLU  12           HN       GLU  12  -9.173   4.585   1.545
  371    HA   GLU  12           HA       GLU  12  -7.302   6.106   3.032
  372    HB2  GLU  12           HB2      GLU  12  -9.373   5.173   4.017
  373    HB3  GLU  12           HB1      GLU  12  -8.736   3.551   3.797
  374    HG2  GLU  12           HG2      GLU  12  -8.486   4.223   6.090
  375    HG3  GLU  12           HG1      GLU  12  -6.899   4.083   5.336
  376    H    LEU  13           HN       LEU  13  -7.401   2.718   1.955
  377    HA   LEU  13           HA       LEU  13  -4.711   2.194   2.787
  378    HB2  LEU  13           HB2      LEU  13  -6.568   0.725   0.927
  379    HB3  LEU  13           HB1      LEU  13  -4.951   0.162   1.303
  380    HG   LEU  13           HG       LEU  13  -7.222   0.497   3.265
  381   HD11  LEU  13          HD11      LEU  13  -7.400  -1.435   1.751
  382   HD12  LEU  13          HD12      LEU  13  -7.146  -1.907   3.430
  383   HD13  LEU  13          HD13      LEU  13  -5.809  -1.974   2.284
  384   HD21  LEU  13          HD21      LEU  13  -4.386  -0.436   3.695
  385   HD22  LEU  13          HD22      LEU  13  -5.686  -0.544   4.882
  386   HD23  LEU  13          HD23      LEU  13  -5.119   1.033   4.339
  387    H    LEU  14           HN       LEU  14  -6.201   3.517  -0.041
  388    HA   LEU  14           HA       LEU  14  -4.037   3.347  -1.838
  389    HB2  LEU  14           HB2      LEU  14  -6.411   4.088  -2.327
  390    HB3  LEU  14           HB1      LEU  14  -5.997   5.625  -1.599
  391    HG   LEU  14           HG       LEU  14  -4.197   5.881  -3.331
  392   HD11  LEU  14          HD11      LEU  14  -5.608   3.537  -4.589
  393   HD12  LEU  14          HD12      LEU  14  -3.970   3.523  -3.931
  394   HD13  LEU  14          HD13      LEU  14  -4.348   4.516  -5.340
  395   HD21  LEU  14          HD21      LEU  14  -5.745   6.546  -5.095
  396   HD22  LEU  14          HD22      LEU  14  -6.349   7.019  -3.507
  397   HD23  LEU  14          HD23      LEU  14  -7.030   5.615  -4.327
  398    H    SER  15           HN       SER  15  -4.786   5.466   0.805
  399    HA   SER  15           HA       SER  15  -2.761   7.396   0.300
  400    HB2  SER  15           HB2      SER  15  -4.218   6.759   2.880
  401    HB3  SER  15           HB1      SER  15  -3.284   8.218   2.552
  402    HG   SER  15           HG       SER  15  -5.574   7.395   1.072
  403    H    LYS  16           HN       LYS  16  -3.008   4.439   2.238
  404    HA   LYS  16           HA       LYS  16  -0.390   4.625   3.295
  405    HB2  LYS  16           HB2      LYS  16  -2.395   2.471   3.101
  406    HB3  LYS  16           HB1      LYS  16  -0.707   1.959   3.130
  407    HG2  LYS  16           HG2      LYS  16  -0.802   3.790   5.165
  408    HG3  LYS  16           HG1      LYS  16  -2.381   3.006   5.272
  409    HD2  LYS  16           HD2      LYS  16   0.257   1.543   5.143
  410    HD3  LYS  16           HD1      LYS  16  -0.624   1.888   6.632
  411    HE2  LYS  16           HE2      LYS  16  -1.837   0.369   4.337
  412    HE3  LYS  16           HE1      LYS  16  -0.939  -0.429   5.628
  413    HZ1  LYS  16           HZ1      LYS  16  -3.392   1.220   5.947
  414    HZ2  LYS  16           HZ2      LYS  16  -2.513   0.543   7.218
  415    HZ3  LYS  16           HZ3      LYS  16  -3.286  -0.461   6.102
  416    H    ASN  17           HN       ASN  17  -1.676   2.924   0.413
  417    HA   ASN  17           HA       ASN  17   0.742   1.925  -0.566
  418    HB2  ASN  17           HB2      ASN  17  -1.739   2.923  -1.970
  419    HB3  ASN  17           HB1      ASN  17  -0.333   2.412  -2.896
  420   HD21  ASN  17          HD21      ASN  17  -3.038   1.423  -1.046
  421   HD22  ASN  17          HD22      ASN  17  -2.820  -0.281  -1.245
  422    H    TYR  18           HN       TYR  18  -0.655   5.175  -0.794
  423    HA   TYR  18           HA       TYR  18   1.317   6.288  -2.467
  424    HB2  TYR  18           HB2      TYR  18  -0.758   7.458  -1.950
  425    HB3  TYR  18           HB1      TYR  18  -0.298   7.583  -0.257
  426    HD1  TYR  18           HD1      TYR  18   1.138   8.459  -3.605
  427    HD2  TYR  18           HD2      TYR  18   0.490   9.631   0.431
  428    HE1  TYR  18           HE1      TYR  18   2.203  10.624  -4.068
  429    HE2  TYR  18           HE2      TYR  18   1.555  11.800  -0.020
  430    HH   TYR  18           HH       TYR  18   2.317  12.838  -3.229
  431    H    HIS  19           HN       HIS  19   1.102   6.378   1.093
  432    HA   HIS  19           HA       HIS  19   3.646   7.594   1.419
  433    HB2  HIS  19           HB2      HIS  19   1.767   7.717   3.062
  434    HB3  HIS  19           HB1      HIS  19   2.061   6.032   3.466
  435    HD1  HIS  19           HD1      HIS  19   3.617   9.443   3.775
  436    HD2  HIS  19           HD2      HIS  19   4.153   5.589   5.223
  437    HE1  HIS  19           HE1      HIS  19   5.302   9.647   5.626
  438    HE2  HIS  19           HE2      HIS  19   5.514   7.323   6.572
  439    H    LEU  20           HN       LEU  20   2.548   4.233   1.511
  440    HA   LEU  20           HA       LEU  20   4.939   3.142   2.493
  441    HB2  LEU  20           HB2      LEU  20   2.800   2.018   2.697
  442    HB3  LEU  20           HB1      LEU  20   2.621   1.957   0.956
  443    HG   LEU  20           HG       LEU  20   4.394   0.436   0.767
  444   HD11  LEU  20          HD11      LEU  20   5.486  -0.525   2.746
  445   HD12  LEU  20          HD12      LEU  20   4.677   0.684   3.739
  446   HD13  LEU  20          HD13      LEU  20   5.851   1.184   2.523
  447   HD21  LEU  20          HD21      LEU  20   3.481  -1.495   1.961
  448   HD22  LEU  20          HD22      LEU  20   2.223  -0.520   1.191
  449   HD23  LEU  20          HD23      LEU  20   2.493  -0.398   2.929
  450    H    GLU  21           HN       GLU  21   3.753   3.850  -0.768
  451    HA   GLU  21           HA       GLU  21   5.981   2.624  -2.078
  452    HB2  GLU  21           HB2      GLU  21   3.589   3.285  -3.010
  453    HB3  GLU  21           HB1      GLU  21   4.389   4.810  -3.362
  454    HG2  GLU  21           HG2      GLU  21   5.359   2.131  -4.331
  455    HG3  GLU  21           HG1      GLU  21   4.317   3.202  -5.259
  456    H    ASN  22           HN       ASN  22   5.204   5.848  -0.883
  457    HA   ASN  22           HA       ASN  22   7.489   7.173  -1.872
  458    HB2  ASN  22           HB2      ASN  22   5.862   7.644   0.633
  459    HB3  ASN  22           HB1      ASN  22   7.187   8.690   0.142
  460   HD21  ASN  22          HD21      ASN  22   6.539   8.391  -2.713
  461   HD22  ASN  22          HD22      ASN  22   5.131   9.355  -2.971
  462    H    GLU  23           HN       GLU  23   6.918   5.203   0.981
  463    HA   GLU  23           HA       GLU  23   9.493   5.499   2.120
  464    HB2  GLU  23           HB2      GLU  23   7.521   4.646   3.352
  465    HB3  GLU  23           HB1      GLU  23   7.554   3.191   2.368
  466    HG2  GLU  23           HG2      GLU  23   9.704   2.577   3.281
  467    HG3  GLU  23           HG1      GLU  23   9.772   4.082   4.197
  468    H    VAL  24           HN       VAL  24   8.111   3.212  -0.193
  469    HA   VAL  24           HA       VAL  24  10.333   1.535  -0.491
  470    HB   VAL  24           HB       VAL  24   8.166   2.291  -2.479
  471   HG11  VAL  24          HG11      VAL  24   8.939   0.444  -3.863
  472   HG12  VAL  24          HG12      VAL  24  10.263   0.129  -2.740
  473   HG13  VAL  24          HG13      VAL  24  10.234   1.628  -3.673
  474   HG21  VAL  24          HG21      VAL  24   7.409   1.015  -0.579
  475   HG22  VAL  24          HG22      VAL  24   8.688  -0.174  -0.837
  476   HG23  VAL  24          HG23      VAL  24   7.403   0.009  -2.026
  477    H    ALA  25           HN       ALA  25   9.430   4.493  -2.251
  478    HA   ALA  25           HA       ALA  25  11.584   4.525  -4.044
  479    HB1  ALA  25           HB1      ALA  25   9.590   5.922  -4.315
  480    HB2  ALA  25           HB2      ALA  25  11.062   6.896  -4.358
  481    HB3  ALA  25           HB3      ALA  25  10.063   6.871  -2.906
  482    H    ARG  26           HN       ARG  26  11.248   5.852  -0.795
  483    HA   ARG  26           HA       ARG  26  13.690   7.185  -0.572
  484    HB2  ARG  26           HB2      ARG  26  11.917   7.336   1.114
  485    HB3  ARG  26           HB1      ARG  26  12.159   5.647   1.535
  486    HG2  ARG  26           HG2      ARG  26  14.418   6.162   2.315
  487    HG3  ARG  26           HG1      ARG  26  14.171   7.858   1.898
  488    HD2  ARG  26           HD2      ARG  26  12.597   6.268   3.921
  489    HD3  ARG  26           HD1      ARG  26  13.816   7.491   4.279
  490    HE   ARG  26           HE       ARG  26  11.895   8.694   2.667
  491   HH11  ARG  26          HH11      ARG  26  12.095   7.257   5.852
  492   HH12  ARG  26          HH12      ARG  26  10.827   8.237   6.513
  493   HH21  ARG  26          HH21      ARG  26  10.221   9.977   3.525
  494   HH22  ARG  26          HH22      ARG  26   9.756   9.788   5.186
  495    H    LEU  27           HN       LEU  27  12.881   3.856   0.348
  496    HA   LEU  27           HA       LEU  27  15.480   3.071   1.060
  497    HB2  LEU  27           HB2      LEU  27  12.977   1.635   0.316
  498    HB3  LEU  27           HB1      LEU  27  14.472   0.750   0.383
  499    HG   LEU  27           HG       LEU  27  14.718   1.069   2.705
  500   HD11  LEU  27          HD11      LEU  27  14.140   3.437   2.833
  501   HD12  LEU  27          HD12      LEU  27  13.257   2.501   4.039
  502   HD13  LEU  27          HD13      LEU  27  12.441   3.043   2.571
  503   HD21  LEU  27          HD21      LEU  27  11.818   0.588   2.065
  504   HD22  LEU  27          HD22      LEU  27  12.585   0.231   3.611
  505   HD23  LEU  27          HD23      LEU  27  13.099  -0.619   2.155
  506    H    LYS  28           HN       LYS  28  13.759   2.952  -2.015
  507    HA   LYS  28           HA       LYS  28  15.530   1.333  -3.436
  508    HB2  LYS  28           HB2      LYS  28  13.319   1.936  -4.284
  509    HB3  LYS  28           HB1      LYS  28  13.816   3.612  -4.443
  510    HG2  LYS  28           HG2      LYS  28  13.814   2.503  -6.595
  511    HG3  LYS  28           HG1      LYS  28  15.449   2.980  -6.139
  512    HD2  LYS  28           HD2      LYS  28  15.541   0.775  -7.067
  513    HD3  LYS  28           HD1      LYS  28  15.830   0.651  -5.331
  514    HE2  LYS  28           HE2      LYS  28  13.528  -0.038  -4.980
  515    HE3  LYS  28           HE1      LYS  28  13.193   0.142  -6.702
  516    HZ1  LYS  28           HZ1      LYS  28  14.785  -1.608  -7.165
  517    HZ2  LYS  28           HZ2      LYS  28  13.602  -2.167  -6.097
  518    HZ3  LYS  28           HZ3      LYS  28  15.138  -1.766  -5.520
  519    H    LYS  29           HN       LYS  29  15.517   4.859  -3.003
  520    HA   LYS  29           HA       LYS  29  17.853   5.260  -4.606
  521    HB2  LYS  29           HB2      LYS  29  16.568   7.085  -2.569
  522    HB3  LYS  29           HB1      LYS  29  17.805   7.558  -3.724
  523    HG2  LYS  29           HG2      LYS  29  16.245   6.958  -5.560
  524    HG3  LYS  29           HG1      LYS  29  15.000   6.652  -4.342
  525    HD2  LYS  29           HD2      LYS  29  16.424   9.277  -4.804
  526    HD3  LYS  29           HD1      LYS  29  14.773   8.890  -5.312
  527    HE2  LYS  29           HE2      LYS  29  14.121   8.600  -2.979
  528    HE3  LYS  29           HE1      LYS  29  15.769   8.950  -2.464
  529    HZ1  LYS  29           HZ1      LYS  29  14.384  10.895  -2.243
  530    HZ2  LYS  29           HZ2      LYS  29  13.948  10.821  -3.871
  531    HZ3  LYS  29           HZ3      LYS  29  15.546  11.162  -3.442
  532    H    LEU  30           HN       LEU  30  17.325   4.180  -1.445
  533    HA   LEU  30           HA       LEU  30  19.886   5.051  -0.420
  534    HB2  LEU  30           HB2      LEU  30  17.695   3.365   0.758
  535    HB3  LEU  30           HB1      LEU  30  19.215   3.671   1.580
  536    HG   LEU  30           HG       LEU  30  17.385   5.890   0.676
  537   HD11  LEU  30          HD11      LEU  30  16.662   5.999   3.034
  538   HD12  LEU  30          HD12      LEU  30  17.479   4.461   3.317
  539   HD13  LEU  30          HD13      LEU  30  16.122   4.549   2.193
  540   HD21  LEU  30          HD21      LEU  30  19.704   5.745   2.595
  541   HD22  LEU  30          HD22      LEU  30  18.615   7.124   2.467
  542   HD23  LEU  30          HD23      LEU  30  19.610   6.661   1.090
  543    H    VAL  31           HN       VAL  31  18.367   2.097  -1.606
  544    HA   VAL  31           HA       VAL  31  20.749   0.512  -1.327
  545    HB   VAL  31           HB       VAL  31  18.446   0.070  -3.249
  546   HG11  VAL  31          HG11      VAL  31  20.436  -1.233  -3.773
  547   HG12  VAL  31          HG12      VAL  31  19.138  -2.272  -3.190
  548   HG13  VAL  31          HG13      VAL  31  20.476  -1.853  -2.123
  549   HG21  VAL  31          HG21      VAL  31  18.777  -0.959  -0.435
  550   HG22  VAL  31          HG22      VAL  31  17.507  -1.435  -1.561
  551   HG23  VAL  31          HG23      VAL  31  17.589   0.227  -0.978
  552    H    GLY  32           HN       GLY  32  19.391   2.699  -3.633
  553    HA2  GLY  32           HA2      GLY  32  21.067   2.056  -5.836
  554    HA3  GLY  32           HA1      GLY  32  20.111   3.520  -5.636
  555    H    GLU  33           HN       GLU  33  21.063   4.890  -3.686
  556    HA   GLU  33           HA       GLU  33  22.661   6.364  -3.080
  557    HB2  GLU  33           HB2      GLU  33  24.523   4.053  -3.662
  558    HB3  GLU  33           HB1      GLU  33  24.999   5.541  -2.856
  559    HG2  GLU  33           HG2      GLU  33  22.948   3.580  -1.851
  560    HG3  GLU  33           HG1      GLU  33  24.610   3.715  -1.280
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1 -23.683  -0.954  -7.535
    2    H2   GLY   1           HT2      GLY   1 -23.996  -2.556  -7.975
    3    H3   GLY   1           HT3      GLY   1 -22.401  -2.027  -7.782
    4    HA2  GLY   1           HA1      GLY   1 -24.425  -2.205  -5.624
    5    HA3  GLY   1           HA2      GLY   1 -23.120  -3.354  -5.890
    6    H    SER   2           HN       SER   2 -22.319  -2.910  -3.787
    7    HA   SER   2           HA       SER   2 -20.409  -0.781  -3.773
    8    HB2  SER   2           HB2      SER   2 -21.303   0.130  -1.534
    9    HB3  SER   2           HB1      SER   2 -22.135   0.625  -3.011
   10    HG   SER   2           HG       SER   2 -23.461  -1.415  -2.446
   11    H    MET   3           HN       MET   3 -22.144  -3.049  -1.638
   12    HA   MET   3           HA       MET   3 -20.238  -3.166   0.364
   13    HB2  MET   3           HB2      MET   3 -22.561  -4.043   0.506
   14    HB3  MET   3           HB1      MET   3 -22.064  -5.417  -0.471
   15    HG2  MET   3           HG2      MET   3 -22.134  -5.944   1.917
   16    HG3  MET   3           HG1      MET   3 -20.519  -6.128   1.235
   17    HE1  MET   3           HE1      MET   3 -22.324  -2.748   2.167
   18    HE2  MET   3           HE2      MET   3 -21.783  -2.517   3.828
   19    HE3  MET   3           HE3      MET   3 -22.866  -3.850   3.432
   20    H    LYS   4           HN       LYS   4 -20.578  -5.398  -2.395
   21    HA   LYS   4           HA       LYS   4 -18.142  -6.763  -1.561
   22    HB2  LYS   4           HB2      LYS   4 -20.219  -7.364  -3.656
   23    HB3  LYS   4           HB1      LYS   4 -18.717  -8.269  -3.539
   24    HG2  LYS   4           HG2      LYS   4 -20.764  -8.018  -1.343
   25    HG3  LYS   4           HG1      LYS   4 -20.594  -9.397  -2.432
   26    HD2  LYS   4           HD2      LYS   4 -18.239  -9.641  -1.614
   27    HD3  LYS   4           HD1      LYS   4 -18.591  -8.402  -0.410
   28    HE2  LYS   4           HE2      LYS   4 -20.037 -11.029  -0.701
   29    HE3  LYS   4           HE1      LYS   4 -18.804 -10.669   0.504
   30    HZ1  LYS   4           HZ1      LYS   4 -20.248  -8.950   1.402
   31    HZ2  LYS   4           HZ2      LYS   4 -21.018 -10.452   1.421
   32    HZ3  LYS   4           HZ3      LYS   4 -21.430  -9.308   0.249
   33    H    GLN   5           HN       GLN   5 -18.874  -4.167  -3.475
   34    HA   GLN   5           HA       GLN   5 -16.891  -4.799  -5.533
   35    HB2  GLN   5           HB2      GLN   5 -18.969  -2.608  -5.403
   36    HB3  GLN   5           HB1      GLN   5 -17.795  -2.785  -6.699
   37    HG2  GLN   5           HG2      GLN   5 -18.727  -4.992  -7.223
   38    HG3  GLN   5           HG1      GLN   5 -19.926  -4.773  -5.950
   39   HE21  GLN   5          HE21      GLN   5 -20.311  -5.184  -8.793
   40   HE22  GLN   5          HE22      GLN   5 -21.216  -3.823  -9.362
   41    H    LEU   6           HN       LEU   6 -17.777  -2.345  -3.162
   42    HA   LEU   6           HA       LEU   6 -15.388  -0.828  -3.573
   43    HB2  LEU   6           HB2      LEU   6 -17.281  -0.769  -1.226
   44    HB3  LEU   6           HB1      LEU   6 -16.089   0.449  -1.627
   45    HG   LEU   6           HG       LEU   6 -18.567  -0.225  -3.214
   46   HD11  LEU   6          HD11      LEU   6 -19.099   1.023  -1.242
   47   HD12  LEU   6          HD12      LEU   6 -19.215   2.083  -2.647
   48   HD13  LEU   6          HD13      LEU   6 -17.815   2.184  -1.581
   49   HD21  LEU   6          HD21      LEU   6 -16.411   1.809  -3.765
   50   HD22  LEU   6          HD22      LEU   6 -17.937   1.678  -4.636
   51   HD23  LEU   6          HD23      LEU   6 -16.759   0.368  -4.720
   52    H    GLU   7           HN       GLU   7 -16.522  -3.242  -1.201
   53    HA   GLU   7           HA       GLU   7 -14.142  -3.242   0.319
   54    HB2  GLU   7           HB2      GLU   7 -16.329  -5.247  -0.049
   55    HB3  GLU   7           HB1      GLU   7 -14.860  -5.705   0.800
   56    HG2  GLU   7           HG2      GLU   7 -15.231  -3.755   2.317
   57    HG3  GLU   7           HG1      GLU   7 -16.798  -3.534   1.540
   58    H    ASP   8           HN       ASP   8 -15.054  -4.994  -2.642
   59    HA   ASP   8           HA       ASP   8 -12.694  -6.588  -2.680
   60    HB2  ASP   8           HB2      ASP   8 -14.869  -6.014  -4.548
   61    HB3  ASP   8           HB1      ASP   8 -13.318  -6.283  -5.340
   62    H    LYS   9           HN       LYS   9 -13.319  -3.295  -3.515
   63    HA   LYS   9           HA       LYS   9 -10.902  -2.913  -5.007
   64    HB2  LYS   9           HB2      LYS   9 -12.935  -1.464  -5.230
   65    HB3  LYS   9           HB1      LYS   9 -12.613  -0.839  -3.619
   66    HG2  LYS   9           HG2      LYS   9 -11.817   0.716  -5.275
   67    HG3  LYS   9           HG1      LYS   9 -10.446   0.019  -4.410
   68    HD2  LYS   9           HD2      LYS   9 -10.036  -1.513  -6.254
   69    HD3  LYS   9           HD1      LYS   9 -11.443  -0.884  -7.112
   70    HE2  LYS   9           HE2      LYS   9  -9.378   0.075  -7.987
   71    HE3  LYS   9           HE1      LYS   9 -10.386   1.314  -7.242
   72    HZ1  LYS   9           HZ1      LYS   9  -7.991   1.466  -6.681
   73    HZ2  LYS   9           HZ2      LYS   9  -8.115  -0.014  -5.870
   74    HZ3  LYS   9           HZ3      LYS   9  -8.995   1.326  -5.327
   75    H    VAL  10           HN       VAL  10 -11.946  -2.416  -1.661
   76    HA   VAL  10           HA       VAL  10  -9.603  -1.220  -0.670
   77    HB   VAL  10           HB       VAL  10 -11.231  -3.170   0.944
   78   HG11  VAL  10          HG11      VAL  10  -9.202  -2.266   1.952
   79   HG12  VAL  10          HG12      VAL  10 -10.648  -1.711   2.794
   80   HG13  VAL  10          HG13      VAL  10  -9.804  -0.627   1.685
   81   HG21  VAL  10          HG21      VAL  10 -12.743  -1.578  -0.271
   82   HG22  VAL  10          HG22      VAL  10 -11.948  -0.275   0.615
   83   HG23  VAL  10          HG23      VAL  10 -12.837  -1.520   1.487
   84    H    GLU  11           HN       GLU  11 -10.609  -4.623  -0.759
   85    HA   GLU  11           HA       GLU  11  -8.247  -5.606   0.478
   86    HB2  GLU  11           HB2      GLU  11 -10.250  -7.076  -1.257
   87    HB3  GLU  11           HB1      GLU  11  -9.063  -7.822  -0.199
   88    HG2  GLU  11           HG2      GLU  11 -11.356  -6.079   0.663
   89    HG3  GLU  11           HG1      GLU  11 -11.270  -7.833   0.803
   90    H    GLU  12           HN       GLU  12  -9.097  -4.894  -2.826
   91    HA   GLU  12           HA       GLU  12  -7.080  -6.364  -4.126
   92    HB2  GLU  12           HB2      GLU  12  -9.001  -5.321  -5.302
   93    HB3  GLU  12           HB1      GLU  12  -8.328  -3.734  -4.959
   94    HG2  GLU  12           HG2      GLU  12  -7.859  -4.399  -7.238
   95    HG3  GLU  12           HG1      GLU  12  -6.367  -4.265  -6.308
   96    H    LEU  13           HN       LEU  13  -7.211  -3.020  -2.937
   97    HA   LEU  13           HA       LEU  13  -4.501  -2.409  -3.367
   98    HB2  LEU  13           HB2      LEU  13  -6.443  -1.418  -1.282
   99    HB3  LEU  13           HB1      LEU  13  -4.823  -0.777  -1.468
  100    HG   LEU  13           HG       LEU  13  -7.008  -0.659  -3.550
  101   HD11  LEU  13          HD11      LEU  13  -5.796   1.485  -1.812
  102   HD12  LEU  13          HD12      LEU  13  -7.413   0.805  -1.641
  103   HD13  LEU  13          HD13      LEU  13  -6.996   1.734  -3.080
  104   HD21  LEU  13          HD21      LEU  13  -5.464   0.797  -4.767
  105   HD22  LEU  13          HD22      LEU  13  -4.791  -0.819  -4.559
  106   HD23  LEU  13          HD23      LEU  13  -4.225   0.510  -3.545
  107    H    LEU  14           HN       LEU  14  -6.206  -3.687  -0.540
  108    HA   LEU  14           HA       LEU  14  -4.171  -3.925   1.285
  109    HB2  LEU  14           HB2      LEU  14  -6.723  -4.586   1.334
  110    HB3  LEU  14           HB1      LEU  14  -6.100  -6.180   0.968
  111    HG   LEU  14           HG       LEU  14  -4.614  -5.940   3.014
  112   HD11  LEU  14          HD11      LEU  14  -6.532  -3.694   3.608
  113   HD12  LEU  14          HD12      LEU  14  -4.816  -3.507   3.238
  114   HD13  LEU  14          HD13      LEU  14  -5.317  -4.350   4.705
  115   HD21  LEU  14          HD21      LEU  14  -6.408  -6.579   4.546
  116   HD22  LEU  14          HD22      LEU  14  -6.593  -7.361   2.976
  117   HD23  LEU  14          HD23      LEU  14  -7.605  -5.978   3.397
  118    H    SER  15           HN       SER  15  -4.813  -5.910  -1.486
  119    HA   SER  15           HA       SER  15  -3.148  -8.099  -0.798
  120    HB2  SER  15           HB2      SER  15  -4.127  -7.201  -3.519
  121    HB3  SER  15           HB1      SER  15  -3.447  -8.784  -3.137
  122    HG   SER  15           HG       SER  15  -5.828  -7.658  -2.051
  123    H    LYS  16           HN       LYS  16  -2.706  -5.249  -2.912
  124    HA   LYS  16           HA       LYS  16   0.028  -6.004  -3.386
  125    HB2  LYS  16           HB2      LYS  16   0.269  -4.059  -4.714
  126    HB3  LYS  16           HB1      LYS  16  -1.294  -4.761  -5.096
  127    HG2  LYS  16           HG2      LYS  16  -1.918  -2.589  -4.982
  128    HG3  LYS  16           HG1      LYS  16  -2.073  -2.973  -3.268
  129    HD2  LYS  16           HD2      LYS  16  -0.067  -1.910  -2.722
  130    HD3  LYS  16           HD1      LYS  16   0.524  -1.966  -4.381
  131    HE2  LYS  16           HE2      LYS  16  -1.783  -0.267  -3.421
  132    HE3  LYS  16           HE1      LYS  16  -0.134   0.303  -3.664
  133    HZ1  LYS  16           HZ1      LYS  16  -1.849  -0.862  -5.793
  134    HZ2  LYS  16           HZ2      LYS  16  -0.304  -0.210  -5.993
  135    HZ3  LYS  16           HZ3      LYS  16  -1.590   0.791  -5.554
  136    H    ASN  17           HN       ASN  17  -1.687  -3.846  -1.226
  137    HA   ASN  17           HA       ASN  17   0.429  -2.474  -0.010
  138    HB2  ASN  17           HB2      ASN  17  -2.066  -3.717   1.208
  139    HB3  ASN  17           HB1      ASN  17  -0.962  -2.684   2.105
  140   HD21  ASN  17          HD21      ASN  17  -2.822  -1.371   2.449
  141   HD22  ASN  17          HD22      ASN  17  -3.274  -0.219   1.239
  142    H    TYR  18           HN       TYR  18  -0.820  -5.762   0.526
  143    HA   TYR  18           HA       TYR  18   0.872  -6.457   2.646
  144    HB2  TYR  18           HB2      TYR  18  -1.060  -7.817   1.833
  145    HB3  TYR  18           HB1      TYR  18  -0.085  -8.308   0.450
  146    HD1  TYR  18           HD1      TYR  18   1.371 -10.144   0.614
  147    HD2  TYR  18           HD2      TYR  18  -0.208  -8.404   4.159
  148    HE1  TYR  18           HE1      TYR  18   2.306 -11.997   1.933
  149    HE2  TYR  18           HE2      TYR  18   0.722 -10.250   5.489
  150    HH   TYR  18           HH       TYR  18   2.974 -12.486   4.201
  151    H    HIS  19           HN       HIS  19   1.367  -6.896  -0.847
  152    HA   HIS  19           HA       HIS  19   3.987  -7.977  -0.569
  153    HB2  HIS  19           HB2      HIS  19   2.466  -8.310  -2.556
  154    HB3  HIS  19           HB1      HIS  19   2.815  -6.650  -3.021
  155    HD1  HIS  19           HD1      HIS  19   3.898  -9.994  -3.644
  156    HD2  HIS  19           HD2      HIS  19   5.794  -6.305  -3.401
  157    HE1  HIS  19           HE1      HIS  19   6.085 -10.279  -4.837
  158    HE2  HIS  19           HE2      HIS  19   7.262  -8.068  -4.598
  159    H    LEU  20           HN       LEU  20   2.735  -4.757  -1.368
  160    HA   LEU  20           HA       LEU  20   5.174  -3.524  -1.896
  161    HB2  LEU  20           HB2      LEU  20   3.222  -2.518  -2.711
  162    HB3  LEU  20           HB1      LEU  20   2.410  -2.610  -1.169
  163    HG   LEU  20           HG       LEU  20   3.574  -0.771  -0.331
  164   HD11  LEU  20          HD11      LEU  20   5.436   0.254  -1.277
  165   HD12  LEU  20          HD12      LEU  20   5.163  -0.505  -2.847
  166   HD13  LEU  20          HD13      LEU  20   5.751  -1.470  -1.490
  167   HD21  LEU  20          HD21      LEU  20   3.176   0.990  -2.071
  168   HD22  LEU  20          HD22      LEU  20   1.791  -0.037  -1.676
  169   HD23  LEU  20          HD23      LEU  20   2.710  -0.319  -3.158
  170    H    GLU  21           HN       GLU  21   3.440  -4.014   1.174
  171    HA   GLU  21           HA       GLU  21   5.236  -2.320   2.630
  172    HB2  GLU  21           HB2      GLU  21   2.769  -3.222   3.187
  173    HB3  GLU  21           HB1      GLU  21   3.714  -4.413   4.075
  174    HG2  GLU  21           HG2      GLU  21   3.935  -1.428   4.408
  175    HG3  GLU  21           HG1      GLU  21   3.016  -2.499   5.456
  176    H    ASN  22           HN       ASN  22   4.971  -5.798   2.037
  177    HA   ASN  22           HA       ASN  22   7.205  -6.512   3.645
  178    HB2  ASN  22           HB2      ASN  22   5.921  -7.899   1.284
  179    HB3  ASN  22           HB1      ASN  22   7.244  -8.595   2.210
  180   HD21  ASN  22          HD21      ASN  22   6.220  -7.463   4.736
  181   HD22  ASN  22          HD22      ASN  22   4.875  -8.457   5.166
  182    H    GLU  23           HN       GLU  23   6.805  -5.313   0.413
  183    HA   GLU  23           HA       GLU  23   9.405  -5.809  -0.558
  184    HB2  GLU  23           HB2      GLU  23   7.484  -5.196  -1.981
  185    HB3  GLU  23           HB1      GLU  23   7.486  -3.586  -1.276
  186    HG2  GLU  23           HG2      GLU  23   9.623  -3.103  -2.247
  187    HG3  GLU  23           HG1      GLU  23   9.779  -4.763  -2.822
  188    H    VAL  24           HN       VAL  24   7.980  -2.995   1.103
  189    HA   VAL  24           HA       VAL  24  10.293  -1.429   1.200
  190    HB   VAL  24           HB       VAL  24   7.916  -1.571   3.097
  191   HG11  VAL  24          HG11      VAL  24   9.973  -0.922   4.365
  192   HG12  VAL  24          HG12      VAL  24   8.794   0.383   4.241
  193   HG13  VAL  24          HG13      VAL  24  10.225   0.387   3.205
  194   HG21  VAL  24          HG21      VAL  24   7.512  -0.569   0.953
  195   HG22  VAL  24          HG22      VAL  24   8.917   0.481   1.139
  196   HG23  VAL  24          HG23      VAL  24   7.523   0.675   2.203
  197    H    ALA  25           HN       ALA  25   9.107  -3.953   3.395
  198    HA   ALA  25           HA       ALA  25  11.049  -3.683   5.397
  199    HB1  ALA  25           HB1      ALA  25   9.567  -6.177   4.562
  200    HB2  ALA  25           HB2      ALA  25   8.969  -4.954   5.684
  201    HB3  ALA  25           HB3      ALA  25  10.383  -5.922   6.104
  202    H    ARG  26           HN       ARG  26  11.033  -5.619   2.434
  203    HA   ARG  26           HA       ARG  26  13.461  -6.981   2.898
  204    HB2  ARG  26           HB2      ARG  26  11.733  -7.581   1.176
  205    HB3  ARG  26           HB1      ARG  26  12.270  -6.208   0.225
  206    HG2  ARG  26           HG2      ARG  26  14.266  -8.258   1.049
  207    HG3  ARG  26           HG1      ARG  26  13.150  -8.625  -0.264
  208    HD2  ARG  26           HD2      ARG  26  13.915  -6.708  -1.510
  209    HD3  ARG  26           HD1      ARG  26  14.927  -6.191  -0.162
  210    HE   ARG  26           HE       ARG  26  15.845  -8.676  -0.699
  211   HH11  ARG  26          HH11      ARG  26  15.284  -5.884  -2.732
  212   HH12  ARG  26          HH12      ARG  26  16.615  -6.229  -3.789
  213   HH21  ARG  26          HH21      ARG  26  17.591  -9.137  -2.090
  214   HH22  ARG  26          HH22      ARG  26  17.930  -8.079  -3.423
  215    H    LEU  27           HN       LEU  27  12.709  -4.001   1.136
  216    HA   LEU  27           HA       LEU  27  15.340  -3.341   0.396
  217    HB2  LEU  27           HB2      LEU  27  12.756  -1.916   0.629
  218    HB3  LEU  27           HB1      LEU  27  14.196  -0.924   0.617
  219    HG   LEU  27           HG       LEU  27  14.772  -1.576  -1.575
  220   HD11  LEU  27          HD11      LEU  27  14.383  -3.983  -1.351
  221   HD12  LEU  27          HD12      LEU  27  13.663  -3.330  -2.822
  222   HD13  LEU  27          HD13      LEU  27  12.642  -3.703  -1.432
  223   HD21  LEU  27          HD21      LEU  27  11.785  -1.277  -1.378
  224   HD22  LEU  27          HD22      LEU  27  12.718  -1.118  -2.864
  225   HD23  LEU  27          HD23      LEU  27  12.976   0.012  -1.538
  226    H    LYS  28           HN       LYS  28  13.460  -2.626   3.296
  227    HA   LYS  28           HA       LYS  28  15.231  -0.835   4.522
  228    HB2  LYS  28           HB2      LYS  28  13.102  -2.677   5.535
  229    HB3  LYS  28           HB1      LYS  28  14.155  -1.871   6.685
  230    HG2  LYS  28           HG2      LYS  28  12.480  -0.472   4.617
  231    HG3  LYS  28           HG1      LYS  28  12.041  -0.677   6.312
  232    HD2  LYS  28           HD2      LYS  28  14.107   0.540   6.945
  233    HD3  LYS  28           HD1      LYS  28  14.425   0.828   5.235
  234    HE2  LYS  28           HE2      LYS  28  13.390   2.777   6.199
  235    HE3  LYS  28           HE1      LYS  28  12.274   2.017   5.067
  236    HZ1  LYS  28           HZ1      LYS  28  11.163   2.697   7.100
  237    HZ2  LYS  28           HZ2      LYS  28  12.194   1.723   8.019
  238    HZ3  LYS  28           HZ3      LYS  28  11.115   1.015   6.931
  239    H    LYS  29           HN       LYS  29  15.395  -4.283   4.175
  240    HA   LYS  29           HA       LYS  29  17.283  -4.669   6.307
  241    HB2  LYS  29           HB2      LYS  29  15.738  -6.448   5.465
  242    HB3  LYS  29           HB1      LYS  29  16.671  -6.494   3.977
  243    HG2  LYS  29           HG2      LYS  29  18.642  -7.199   5.206
  244    HG3  LYS  29           HG1      LYS  29  17.741  -7.102   6.724
  245    HD2  LYS  29           HD2      LYS  29  16.187  -8.817   5.882
  246    HD3  LYS  29           HD1      LYS  29  17.153  -8.941   4.403
  247    HE2  LYS  29           HE2      LYS  29  18.109  -9.521   7.204
  248    HE3  LYS  29           HE1      LYS  29  17.702 -10.721   5.982
  249    HZ1  LYS  29           HZ1      LYS  29  20.084 -10.355   6.123
  250    HZ2  LYS  29           HZ2      LYS  29  19.883  -8.717   5.761
  251    HZ3  LYS  29           HZ3      LYS  29  19.496  -9.892   4.609
  252    H    LEU  30           HN       LEU  30  17.415  -4.155   2.846
  253    HA   LEU  30           HA       LEU  30  20.250  -4.561   2.653
  254    HB2  LEU  30           HB2      LEU  30  18.149  -3.566   0.761
  255    HB3  LEU  30           HB1      LEU  30  19.847  -3.387   0.368
  256    HG   LEU  30           HG       LEU  30  20.092  -5.869   0.610
  257   HD11  LEU  30          HD11      LEU  30  17.084  -5.807   0.699
  258   HD12  LEU  30          HD12      LEU  30  18.153  -6.304   2.010
  259   HD13  LEU  30          HD13      LEU  30  18.087  -7.247   0.521
  260   HD21  LEU  30          HD21      LEU  30  18.134  -4.876  -1.452
  261   HD22  LEU  30          HD22      LEU  30  19.062  -6.372  -1.553
  262   HD23  LEU  30          HD23      LEU  30  19.892  -4.816  -1.567
  263    H    VAL  31           HN       VAL  31  18.080  -1.789   2.879
  264    HA   VAL  31           HA       VAL  31  20.175   0.161   2.843
  265    HB   VAL  31           HB       VAL  31  17.366   0.348   3.974
  266   HG11  VAL  31          HG11      VAL  31  17.656   2.773   3.818
  267   HG12  VAL  31          HG12      VAL  31  19.329   2.541   3.314
  268   HG13  VAL  31          HG13      VAL  31  18.817   2.051   4.929
  269   HG21  VAL  31          HG21      VAL  31  17.344  -0.134   1.599
  270   HG22  VAL  31          HG22      VAL  31  18.471   1.188   1.295
  271   HG23  VAL  31          HG23      VAL  31  16.843   1.534   1.881
  272    H    GLY  32           HN       GLY  32  18.787  -1.971   5.139
  273    HA2  GLY  32           HA2      GLY  32  19.681  -0.757   7.533
  274    HA3  GLY  32           HA1      GLY  32  19.240  -2.448   7.316
  275    H    GLU  33           HN       GLU  33  20.970  -3.595   5.797
  276    HA   GLU  33           HA       GLU  33  23.666  -2.708   6.420
  277    HB2  GLU  33           HB2      GLU  33  24.264  -5.033   7.216
  278    HB3  GLU  33           HB1      GLU  33  23.309  -4.063   8.327
  279    HG2  GLU  33           HG2      GLU  33  21.305  -5.270   7.703
  280    HG3  GLU  33           HG1      GLU  33  22.214  -6.201   6.513
  281    H1   GLY   1           HT1      GLY   1 -23.953   1.069   6.520
  282    H2   GLY   1           HT2      GLY   1 -24.281   2.670   6.956
  283    H3   GLY   1           HT3      GLY   1 -22.680   2.141   6.815
  284    HA2  GLY   1           HA1      GLY   1 -24.628   2.337   4.588
  285    HA3  GLY   1           HA2      GLY   1 -23.323   3.474   4.904
  286    H    SER   2           HN       SER   2 -22.428   3.041   2.842
  287    HA   SER   2           HA       SER   2 -20.546   0.891   2.886
  288    HB2  SER   2           HB2      SER   2 -21.354   0.001   0.607
  289    HB3  SER   2           HB1      SER   2 -22.248  -0.497   2.045
  290    HG   SER   2           HG       SER   2 -23.537   1.553   1.438
  291    H    MET   3           HN       MET   3 -22.169   3.182   0.691
  292    HA   MET   3           HA       MET   3 -20.182   3.294  -1.230
  293    HB2  MET   3           HB2      MET   3 -22.490   4.193  -1.461
  294    HB3  MET   3           HB1      MET   3 -22.021   5.556  -0.455
  295    HG2  MET   3           HG2      MET   3 -21.990   6.098  -2.840
  296    HG3  MET   3           HG1      MET   3 -20.404   6.266  -2.089
  297    HE1  MET   3           HE1      MET   3 -22.192   2.903  -3.113
  298    HE2  MET   3           HE2      MET   3 -21.585   2.679  -4.753
  299    HE3  MET   3           HE3      MET   3 -22.676   4.016  -4.392
  300    H    LYS   4           HN       LYS   4 -20.614   5.519   1.526
  301    HA   LYS   4           HA       LYS   4 -18.135   6.864   0.802
  302    HB2  LYS   4           HB2      LYS   4 -20.290   7.470   2.814
  303    HB3  LYS   4           HB1      LYS   4 -18.779   8.364   2.765
  304    HG2  LYS   4           HG2      LYS   4 -20.738   8.139   0.487
  305    HG3  LYS   4           HG1      LYS   4 -20.605   9.509   1.590
  306    HD2  LYS   4           HD2      LYS   4 -18.218   9.749   0.866
  307    HD3  LYS   4           HD1      LYS   4 -18.527   8.517  -0.356
  308    HE2  LYS   4           HE2      LYS   4 -19.976  11.148  -0.110
  309    HE3  LYS   4           HE1      LYS   4 -18.695  10.792  -1.263
  310    HZ1  LYS   4           HZ1      LYS   4 -20.099   9.082  -2.237
  311    HZ2  LYS   4           HZ2      LYS   4 -20.868  10.585  -2.277
  312    HZ3  LYS   4           HZ3      LYS   4 -21.331   9.434  -1.132
  313    H    GLN   5           HN       GLN   5 -18.969   4.265   2.668
  314    HA   GLN   5           HA       GLN   5 -17.066   4.866   4.809
  315    HB2  GLN   5           HB2      GLN   5 -19.160   2.696   4.584
  316    HB3  GLN   5           HB1      GLN   5 -18.034   2.851   5.925
  317    HG2  GLN   5           HG2      GLN   5 -18.962   5.062   6.431
  318    HG3  GLN   5           HG1      GLN   5 -20.111   4.866   5.112
  319   HE21  GLN   5          HE21      GLN   5 -20.616   5.260   7.937
  320   HE22  GLN   5          HE22      GLN   5 -21.545   3.902   8.461
  321    H    LEU   6           HN       LEU   6 -17.876   2.436   2.388
  322    HA   LEU   6           HA       LEU   6 -15.518   0.895   2.888
  323    HB2  LEU   6           HB2      LEU   6 -17.316   0.864   0.468
  324    HB3  LEU   6           HB1      LEU   6 -16.151  -0.367   0.909
  325    HG   LEU   6           HG       LEU   6 -18.684   0.322   2.402
  326   HD11  LEU   6          HD11      LEU   6 -19.147  -0.910   0.401
  327   HD12  LEU   6          HD12      LEU   6 -19.333  -1.976   1.794
  328   HD13  LEU   6          HD13      LEU   6 -17.891  -2.086   0.786
  329   HD21  LEU   6          HD21      LEU   6 -16.569  -1.734   3.025
  330   HD22  LEU   6          HD22      LEU   6 -18.129  -1.594   3.836
  331   HD23  LEU   6          HD23      LEU   6 -16.943  -0.296   3.973
  332    H    GLU   7           HN       GLU   7 -16.534   3.331   0.489
  333    HA   GLU   7           HA       GLU   7 -14.095   3.317  -0.935
  334    HB2  GLU   7           HB2      GLU   7 -16.275   5.342  -0.645
  335    HB3  GLU   7           HB1      GLU   7 -14.769   5.789  -1.436
  336    HG2  GLU   7           HG2      GLU   7 -15.105   3.848  -2.977
  337    HG3  GLU   7           HG1      GLU   7 -16.703   3.643  -2.260
  338    H    ASP   8           HN       ASP   8 -15.110   5.063   1.997
  339    HA   ASP   8           HA       ASP   8 -12.742   6.639   2.136
  340    HB2  ASP   8           HB2      ASP   8 -14.994   6.072   3.912
  341    HB3  ASP   8           HB1      ASP   8 -13.474   6.325   4.767
  342    H    LYS   9           HN       LYS   9 -13.426   3.347   2.926
  343    HA   LYS   9           HA       LYS   9 -11.076   2.934   4.515
  344    HB2  LYS   9           HB2      LYS   9 -13.128   1.501   4.640
  345    HB3  LYS   9           HB1      LYS   9 -12.743   0.882   3.043
  346    HG2  LYS   9           HG2      LYS   9 -12.032  -0.688   4.721
  347    HG3  LYS   9           HG1      LYS   9 -10.621   0.001   3.917
  348    HD2  LYS   9           HD2      LYS   9 -10.273   1.519   5.787
  349    HD3  LYS   9           HD1      LYS   9 -11.720   0.897   6.582
  350    HE2  LYS   9           HE2      LYS   9  -9.702  -0.084   7.532
  351    HE3  LYS   9           HE1      LYS   9 -10.691  -1.308   6.745
  352    HZ1  LYS   9           HZ1      LYS   9  -8.272  -1.475   6.283
  353    HZ2  LYS   9           HZ2      LYS   9  -8.361  -0.003   5.455
  354    HZ3  LYS   9           HZ3      LYS   9  -9.228  -1.345   4.895
  355    H    VAL  10           HN       VAL  10 -11.988   2.462   1.127
  356    HA   VAL  10           HA       VAL  10  -9.614   1.255   0.223
  357    HB   VAL  10           HB       VAL  10 -11.161   3.223  -1.446
  358   HG11  VAL  10          HG11      VAL  10  -9.101   2.307  -2.377
  359   HG12  VAL  10          HG12      VAL  10 -10.517   1.768  -3.278
  360   HG13  VAL  10          HG13      VAL  10  -9.727   0.672  -2.142
  361   HG21  VAL  10          HG21      VAL  10 -12.735   1.639  -0.301
  362   HG22  VAL  10          HG22      VAL  10 -11.918   0.333  -1.164
  363   HG23  VAL  10          HG23      VAL  10 -12.758   1.594  -2.062
  364    H    GLU  11           HN       GLU  11 -10.600   4.664   0.299
  365    HA   GLU  11           HA       GLU  11  -8.185   5.635  -0.845
  366    HB2  GLU  11           HB2      GLU  11 -10.241   7.116   0.816
  367    HB3  GLU  11           HB1      GLU  11  -9.005   7.858  -0.190
  368    HG2  GLU  11           HG2      GLU  11 -11.279   6.139  -1.153
  369    HG3  GLU  11           HG1      GLU  11 -11.172   7.893  -1.281
  370    H    GLU  12           HN       GLU  12  -9.170   4.916   2.419
  371    HA   GLU  12           HA       GLU  12  -7.194   6.357   3.808
  372    HB2  GLU  12           HB2      GLU  12  -9.169   5.324   4.894
  373    HB3  GLU  12           HB1      GLU  12  -8.497   3.733   4.572
  374    HG2  GLU  12           HG2      GLU  12  -8.118   4.381   6.872
  375    HG3  GLU  12           HG1      GLU  12  -6.592   4.240   6.004
  376    H    LEU  13           HN       LEU  13  -7.302   3.016   2.603
  377    HA   LEU  13           HA       LEU  13  -4.614   2.384   3.129
  378    HB2  LEU  13           HB2      LEU  13  -6.482   1.424   0.963
  379    HB3  LEU  13           HB1      LEU  13  -4.879   0.766   1.208
  380    HG   LEU  13           HG       LEU  13  -7.147   0.655   3.199
  381   HD11  LEU  13          HD11      LEU  13  -5.880  -1.489   1.501
  382   HD12  LEU  13          HD12      LEU  13  -7.484  -0.796   1.268
  383   HD13  LEU  13          HD13      LEU  13  -7.131  -1.736   2.718
  384   HD21  LEU  13          HD21      LEU  13  -5.666  -0.819   4.470
  385   HD22  LEU  13          HD22      LEU  13  -4.972   0.793   4.302
  386   HD23  LEU  13          HD23      LEU  13  -4.375  -0.533   3.304
  387    H    LEU  14           HN       LEU  14  -6.199   3.692   0.247
  388    HA   LEU  14           HA       LEU  14  -4.089   3.925  -1.493
  389    HB2  LEU  14           HB2      LEU  14  -6.631   4.604  -1.644
  390    HB3  LEU  14           HB1      LEU  14  -6.010   6.192  -1.247
  391    HG   LEU  14           HG       LEU  14  -4.444   5.949  -3.230
  392   HD11  LEU  14          HD11      LEU  14  -6.352   3.719  -3.904
  393   HD12  LEU  14          HD12      LEU  14  -4.651   3.519  -3.470
  394   HD13  LEU  14          HD13      LEU  14  -5.091   4.369  -4.952
  395   HD21  LEU  14          HD21      LEU  14  -6.171   6.603  -4.830
  396   HD22  LEU  14          HD22      LEU  14  -6.415   7.382  -3.267
  397   HD23  LEU  14          HD23      LEU  14  -7.416   6.007  -3.733
  398    H    SER  15           HN       SER  15  -4.824   5.892   1.263
  399    HA   SER  15           HA       SER  15  -3.123   8.079   0.658
  400    HB2  SER  15           HB2      SER  15  -4.203   7.164   3.337
  401    HB3  SER  15           HB1      SER  15  -3.502   8.745   2.990
  402    HG   SER  15           HG       SER  15  -5.823   7.667   1.736
  403    H    LYS  16           HN       LYS  16  -2.777   5.211   2.766
  404    HA   LYS  16           HA       LYS  16  -0.059   5.939   3.353
  405    HB2  LYS  16           HB2      LYS  16   0.109   3.989   4.680
  406    HB3  LYS  16           HB1      LYS  16  -1.464   4.701   5.000
  407    HG2  LYS  16           HG2      LYS  16  -2.097   2.535   4.854
  408    HG3  LYS  16           HG1      LYS  16  -2.181   2.926   3.135
  409    HD2  LYS  16           HD2      LYS  16  -0.161   1.852   2.666
  410    HD3  LYS  16           HD1      LYS  16   0.361   1.893   4.350
  411    HE2  LYS  16           HE2      LYS  16  -1.919   0.224   3.286
  412    HE3  LYS  16           HE1      LYS  16  -0.288  -0.366   3.588
  413    HZ1  LYS  16           HZ1      LYS  16  -2.072   0.798   5.658
  414    HZ2  LYS  16           HZ2      LYS  16  -0.543   0.128   5.915
  415    HZ3  LYS  16           HZ3      LYS  16  -1.822  -0.855   5.414
  416    H    ASN  17           HN       ASN  17  -1.707   3.808   1.117
  417    HA   ASN  17           HA       ASN  17   0.445   2.425  -0.024
  418    HB2  ASN  17           HB2      ASN  17  -1.991   3.692  -1.335
  419    HB3  ASN  17           HB1      ASN  17  -0.859   2.657  -2.191
  420   HD21  ASN  17          HD21      ASN  17  -2.712   1.360  -2.617
  421   HD22  ASN  17          HD22      ASN  17  -3.223   0.206  -1.434
  422    H    TYR  18           HN       TYR  18  -0.750   5.730  -0.578
  423    HA   TYR  18           HA       TYR  18   1.024   6.418  -2.633
  424    HB2  TYR  18           HB2      TYR  18  -0.924   7.791  -1.891
  425    HB3  TYR  18           HB1      TYR  18  -0.003   8.265  -0.467
  426    HD1  TYR  18           HD1      TYR  18   1.478  10.086  -0.560
  427    HD2  TYR  18           HD2      TYR  18   0.023   8.390  -4.183
  428    HE1  TYR  18           HE1      TYR  18   2.482  11.940  -1.827
  429    HE2  TYR  18           HE2      TYR  18   1.023  10.238  -5.456
  430    HH   TYR  18           HH       TYR  18   3.268  12.396  -4.106
  431    H    HIS  19           HN       HIS  19   1.384   6.833   0.880
  432    HA   HIS  19           HA       HIS  19   4.020   7.899   0.712
  433    HB2  HIS  19           HB2      HIS  19   2.420   8.227   2.638
  434    HB3  HIS  19           HB1      HIS  19   2.740   6.562   3.106
  435    HD1  HIS  19           HD1      HIS  19   3.820   9.901   3.791
  436    HD2  HIS  19           HD2      HIS  19   5.696   6.195   3.609
  437    HE1  HIS  19           HE1      HIS  19   5.966  10.164   5.071
  438    HE2  HIS  19           HE2      HIS  19   7.123   7.935   4.879
  439    H    LEU  20           HN       LEU  20   2.718   4.683   1.453
  440    HA   LEU  20           HA       LEU  20   5.120   3.423   2.056
  441    HB2  LEU  20           HB2      LEU  20   3.124   2.433   2.786
  442    HB3  LEU  20           HB1      LEU  20   2.380   2.539   1.212
  443    HG   LEU  20           HG       LEU  20   3.561   0.696   0.415
  444   HD11  LEU  20          HD11      LEU  20   5.377  -0.349   1.426
  445   HD12  LEU  20          HD12      LEU  20   5.047   0.402   2.990
  446   HD13  LEU  20          HD13      LEU  20   5.696   1.370   1.663
  447   HD21  LEU  20          HD21      LEU  20   3.081  -1.072   2.128
  448   HD22  LEU  20          HD22      LEU  20   1.722  -0.032   1.683
  449   HD23  LEU  20          HD23      LEU  20   2.580   0.236   3.202
  450    H    GLU  21           HN       GLU  21   3.515   3.948  -1.077
  451    HA   GLU  21           HA       GLU  21   5.352   2.243  -2.468
  452    HB2  GLU  21           HB2      GLU  21   2.916   3.168  -3.122
  453    HB3  GLU  21           HB1      GLU  21   3.907   4.354  -3.965
  454    HG2  GLU  21           HG2      GLU  21   4.122   1.371  -4.300
  455    HG3  GLU  21           HG1      GLU  21   3.250   2.448  -5.379
  456    H    ASN  22           HN       ASN  22   5.096   5.716  -1.861
  457    HA   ASN  22           HA       ASN  22   7.398   6.419  -3.378
  458    HB2  ASN  22           HB2      ASN  22   6.026   7.813  -1.070
  459    HB3  ASN  22           HB1      ASN  22   7.385   8.503  -1.947
  460   HD21  ASN  22          HD21      ASN  22   6.468   7.397  -4.510
  461   HD22  ASN  22          HD22      ASN  22   5.137   8.389  -4.991
  462    H    GLU  23           HN       GLU  23   6.857   5.209  -0.170
  463    HA   GLU  23           HA       GLU  23   9.417   5.678   0.909
  464    HB2  GLU  23           HB2      GLU  23   7.437   5.074   2.251
  465    HB3  GLU  23           HB1      GLU  23   7.450   3.469   1.537
  466    HG2  GLU  23           HG2      GLU  23   9.543   2.959   2.583
  467    HG3  GLU  23           HG1      GLU  23   9.693   4.613   3.178
  468    H    VAL  24           HN       VAL  24   8.038   2.886  -0.824
  469    HA   VAL  24           HA       VAL  24  10.340   1.300  -0.842
  470    HB   VAL  24           HB       VAL  24   8.043   1.475  -2.831
  471   HG11  VAL  24          HG11      VAL  24  10.145   0.816  -4.016
  472   HG12  VAL  24          HG12      VAL  24   8.950  -0.482  -3.947
  473   HG13  VAL  24          HG13      VAL  24  10.337  -0.502  -2.854
  474   HG21  VAL  24          HG21      VAL  24   7.544   0.467  -0.711
  475   HG22  VAL  24          HG22      VAL  24   8.947  -0.592  -0.845
  476   HG23  VAL  24          HG23      VAL  24   7.596  -0.771  -1.965
  477    H    ALA  25           HN       ALA  25   9.263   3.842  -3.073
  478    HA   ALA  25           HA       ALA  25  11.285   3.572  -4.989
  479    HB1  ALA  25           HB1      ALA  25   9.791   6.073  -4.198
  480    HB2  ALA  25           HB2      ALA  25   9.230   4.864  -5.351
  481    HB3  ALA  25           HB3      ALA  25  10.667   5.823  -5.708
  482    H    ARG  26           HN       ARG  26  11.162   5.488  -2.019
  483    HA   ARG  26           HA       ARG  26  13.618   6.835  -2.377
  484    HB2  ARG  26           HB2      ARG  26  11.829   7.443  -0.722
  485    HB3  ARG  26           HB1      ARG  26  12.315   6.061   0.244
  486    HG2  ARG  26           HG2      ARG  26  14.360   8.098  -0.490
  487    HG3  ARG  26           HG1      ARG  26  13.196   8.467   0.782
  488    HD2  ARG  26           HD2      ARG  26  13.894   6.533   2.042
  489    HD3  ARG  26           HD1      ARG  26  14.957   6.019   0.732
  490    HE   ARG  26           HE       ARG  26  15.870   8.495   1.330
  491   HH11  ARG  26          HH11      ARG  26  15.195   5.689   3.306
  492   HH12  ARG  26          HH12      ARG  26  16.471   6.015   4.430
  493   HH21  ARG  26          HH21      ARG  26  17.548   8.931   2.805
  494   HH22  ARG  26          HH22      ARG  26  17.815   7.868   4.151
  495    H    LEU  27           HN       LEU  27  12.770   3.853  -0.667
  496    HA   LEU  27           HA       LEU  27  15.365   3.171   0.175
  497    HB2  LEU  27           HB2      LEU  27  12.784   1.765  -0.168
  498    HB3  LEU  27           HB1      LEU  27  14.215   0.765  -0.103
  499    HG   LEU  27           HG       LEU  27  14.706   1.401   2.114
  500   HD11  LEU  27          HD11      LEU  27  14.339   3.812   1.888
  501   HD12  LEU  27          HD12      LEU  27  13.556   3.156   3.325
  502   HD13  LEU  27          HD13      LEU  27  12.596   3.540   1.895
  503   HD21  LEU  27          HD21      LEU  27  11.729   1.128   1.796
  504   HD22  LEU  27          HD22      LEU  27  12.598   0.958   3.318
  505   HD23  LEU  27          HD23      LEU  27  12.901  -0.173   2.002
  506    H    LYS  28           HN       LYS  28  13.597   2.478  -2.797
  507    HA   LYS  28           HA       LYS  28  15.399   0.683  -3.960
  508    HB2  LYS  28           HB2      LYS  28  13.336   2.553  -5.051
  509    HB3  LYS  28           HB1      LYS  28  14.429   1.745  -6.163
  510    HG2  LYS  28           HG2      LYS  28  12.655   0.348  -4.174
  511    HG3  LYS  28           HG1      LYS  28  12.288   0.568  -5.885
  512    HD2  LYS  28           HD2      LYS  28  14.367  -0.667  -6.441
  513    HD3  LYS  28           HD1      LYS  28  14.614  -0.964  -4.720
  514    HE2  LYS  28           HE2      LYS  28  13.602  -2.900  -5.736
  515    HE3  LYS  28           HE1      LYS  28  12.449  -2.137  -4.644
  516    HZ1  LYS  28           HZ1      LYS  28  11.413  -2.791  -6.723
  517    HZ2  LYS  28           HZ2      LYS  28  12.495  -1.832  -7.598
  518    HZ3  LYS  28           HZ3      LYS  28  11.380  -1.109  -6.552
  519    H    LYS  29           HN       LYS  29  15.580   4.130  -3.598
  520    HA   LYS  29           HA       LYS  29  17.558   4.512  -5.643
  521    HB2  LYS  29           HB2      LYS  29  15.996   6.299  -4.854
  522    HB3  LYS  29           HB1      LYS  29  16.866   6.328  -3.327
  523    HG2  LYS  29           HG2      LYS  29  18.893   7.026  -4.470
  524    HG3  LYS  29           HG1      LYS  29  18.054   6.946  -6.026
  525    HD2  LYS  29           HD2      LYS  29  16.476   8.667  -5.231
  526    HD3  LYS  29           HD1      LYS  29  17.386   8.778  -3.717
  527    HE2  LYS  29           HE2      LYS  29  18.458   9.357  -6.478
  528    HE3  LYS  29           HE1      LYS  29  18.002  10.561  -5.276
  529    HZ1  LYS  29           HZ1      LYS  29  20.385  10.188  -5.308
  530    HZ2  LYS  29           HZ2      LYS  29  20.164   8.550  -4.961
  531    HZ3  LYS  29           HZ3      LYS  29  19.729   9.722  -3.824
  532    H    LEU  30           HN       LEU  30  17.547   3.981  -2.181
  533    HA   LEU  30           HA       LEU  30  20.376   4.358  -1.872
  534    HB2  LEU  30           HB2      LEU  30  18.190   3.370  -0.073
  535    HB3  LEU  30           HB1      LEU  30  19.869   3.175   0.387
  536    HG   LEU  30           HG       LEU  30  20.143   5.656   0.172
  537   HD11  LEU  30          HD11      LEU  30  17.141   5.616  -0.039
  538   HD12  LEU  30          HD12      LEU  30  18.266   6.114  -1.303
  539   HD13  LEU  30          HD13      LEU  30  18.146   7.048   0.188
  540   HD21  LEU  30          HD21      LEU  30  18.091   4.666   2.141
  541   HD22  LEU  30          HD22      LEU  30  19.025   6.154   2.292
  542   HD23  LEU  30          HD23      LEU  30  19.843   4.591   2.332
  543    H    VAL  31           HN       VAL  31  18.189   1.607  -2.204
  544    HA   VAL  31           HA       VAL  31  20.264  -0.363  -2.088
  545    HB   VAL  31           HB       VAL  31  17.503  -0.520  -3.336
  546   HG11  VAL  31          HG11      VAL  31  17.766  -2.950  -3.182
  547   HG12  VAL  31          HG12      VAL  31  19.421  -2.734  -2.613
  548   HG13  VAL  31          HG13      VAL  31  18.977  -2.232  -4.244
  549   HG21  VAL  31          HG21      VAL  31  17.392  -0.051  -0.961
  550   HG22  VAL  31          HG22      VAL  31  18.494  -1.385  -0.620
  551   HG23  VAL  31          HG23      VAL  31  16.889  -1.712  -1.272
  552    H    GLY  32           HN       GLY  32  18.995   1.796  -4.421
  553    HA2  GLY  32           HA2      GLY  32  19.968   0.580  -6.785
  554    HA3  GLY  32           HA1      GLY  32  19.528   2.273  -6.581
  555    H    GLU  33           HN       GLU  33  21.211   3.396  -4.980
  556    HA   GLU  33           HA       GLU  33  23.920   2.495  -5.523
  557    HB2  GLU  33           HB2      GLU  33  24.565   4.828  -6.264
  558    HB3  GLU  33           HB1      GLU  33  23.653   3.873  -7.420
  559    HG2  GLU  33           HG2      GLU  33  21.629   5.084  -6.866
  560    HG3  GLU  33           HG1      GLU  33  22.496   6.001  -5.635
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1 -24.669  -4.717  -7.142
    2    H2   GLY   1           HT2      GLY   1 -23.366  -3.675  -7.418
    3    H3   GLY   1           HT3      GLY   1 -24.800  -3.075  -6.761
    4    HA2  GLY   1           HA1      GLY   1 -24.477  -4.376  -4.763
    5    HA3  GLY   1           HA2      GLY   1 -22.992  -5.021  -5.451
    6    H    SER   2           HN       SER   2 -22.777  -3.845  -3.063
    7    HA   SER   2           HA       SER   2 -21.261  -1.438  -3.716
    8    HB2  SER   2           HB2      SER   2 -22.189  -0.376  -1.578
    9    HB3  SER   2           HB1      SER   2 -23.275  -0.428  -2.970
   10    HG   SER   2           HG       SER   2 -24.485  -1.913  -1.999
   11    H    MET   3           HN       MET   3 -22.251  -3.402  -0.922
   12    HA   MET   3           HA       MET   3 -20.080  -2.848   0.687
   13    HB2  MET   3           HB2      MET   3 -21.738  -5.369   0.609
   14    HB3  MET   3           HB1      MET   3 -20.664  -4.914   1.923
   15    HG2  MET   3           HG2      MET   3 -23.124  -3.436   1.022
   16    HG3  MET   3           HG1      MET   3 -22.950  -4.399   2.487
   17    HE1  MET   3           HE1      MET   3 -20.381  -2.260   4.546
   18    HE2  MET   3           HE2      MET   3 -19.942  -3.513   3.385
   19    HE3  MET   3           HE3      MET   3 -21.308  -3.758   4.472
   20    H    LYS   4           HN       LYS   4 -20.477  -5.781  -1.341
   21    HA   LYS   4           HA       LYS   4 -17.778  -6.576  -0.657
   22    HB2  LYS   4           HB2      LYS   4 -19.929  -7.894  -2.297
   23    HB3  LYS   4           HB1      LYS   4 -18.301  -8.544  -2.188
   24    HG2  LYS   4           HG2      LYS   4 -19.519  -9.739  -0.602
   25    HG3  LYS   4           HG1      LYS   4 -18.638  -8.535   0.335
   26    HD2  LYS   4           HD2      LYS   4 -20.876  -8.636   1.174
   27    HD3  LYS   4           HD1      LYS   4 -20.691  -7.115   0.301
   28    HE2  LYS   4           HE2      LYS   4 -21.807  -8.059  -1.635
   29    HE3  LYS   4           HE1      LYS   4 -21.929  -9.622  -0.830
   30    HZ1  LYS   4           HZ1      LYS   4 -23.333  -8.576   0.853
   31    HZ2  LYS   4           HZ2      LYS   4 -24.004  -8.437  -0.689
   32    HZ3  LYS   4           HZ3      LYS   4 -23.252  -7.104   0.026
   33    H    GLN   5           HN       GLN   5 -19.125  -4.629  -2.976
   34    HA   GLN   5           HA       GLN   5 -17.291  -5.313  -5.124
   35    HB2  GLN   5           HB2      GLN   5 -19.561  -3.352  -4.863
   36    HB3  GLN   5           HB1      GLN   5 -18.440  -3.275  -6.215
   37    HG2  GLN   5           HG2      GLN   5 -20.037  -5.722  -5.508
   38    HG3  GLN   5           HG1      GLN   5 -20.565  -4.502  -6.667
   39   HE21  GLN   5          HE21      GLN   5 -18.350  -7.101  -6.047
   40   HE22  GLN   5          HE22      GLN   5 -17.753  -7.249  -7.663
   41    H    LEU   6           HN       LEU   6 -18.066  -2.599  -3.003
   42    HA   LEU   6           HA       LEU   6 -15.764  -1.075  -3.625
   43    HB2  LEU   6           HB2      LEU   6 -17.725  -1.125  -1.365
   44    HB3  LEU   6           HB1      LEU   6 -16.246  -0.211  -1.199
   45    HG   LEU   6           HG       LEU   6 -18.310   1.079  -1.915
   46   HD11  LEU   6          HD11      LEU   6 -16.043   1.963  -2.093
   47   HD12  LEU   6          HD12      LEU   6 -17.050   2.496  -3.440
   48   HD13  LEU   6          HD13      LEU   6 -15.868   1.210  -3.680
   49   HD21  LEU   6          HD21      LEU   6 -19.170  -0.524  -3.548
   50   HD22  LEU   6          HD22      LEU   6 -17.736  -0.284  -4.547
   51   HD23  LEU   6          HD23      LEU   6 -18.865   1.046  -4.291
   52    H    GLU   7           HN       GLU   7 -16.542  -3.465  -1.134
   53    HA   GLU   7           HA       GLU   7 -14.087  -3.520   0.187
   54    HB2  GLU   7           HB2      GLU   7 -16.125  -4.686   0.969
   55    HB3  GLU   7           HB1      GLU   7 -15.935  -5.853  -0.331
   56    HG2  GLU   7           HG2      GLU   7 -13.809  -6.572   0.617
   57    HG3  GLU   7           HG1      GLU   7 -13.989  -5.393   1.915
   58    H    ASP   8           HN       ASP   8 -15.112  -5.038  -2.840
   59    HA   ASP   8           HA       ASP   8 -12.875  -6.672  -3.282
   60    HB2  ASP   8           HB2      ASP   8 -14.804  -5.290  -5.077
   61    HB3  ASP   8           HB1      ASP   8 -13.306  -5.867  -5.797
   62    H    LYS   9           HN       LYS   9 -13.332  -3.230  -3.874
   63    HA   LYS   9           HA       LYS   9 -10.761  -2.847  -5.054
   64    HB2  LYS   9           HB2      LYS   9 -12.681  -0.837  -3.867
   65    HB3  LYS   9           HB1      LYS   9 -11.274  -0.444  -4.846
   66    HG2  LYS   9           HG2      LYS   9 -13.650  -2.049  -5.769
   67    HG3  LYS   9           HG1      LYS   9 -13.354  -0.348  -6.128
   68    HD2  LYS   9           HD2      LYS   9 -11.309  -0.935  -7.312
   69    HD3  LYS   9           HD1      LYS   9 -11.548  -2.636  -6.912
   70    HE2  LYS   9           HE2      LYS   9 -12.254  -2.171  -9.195
   71    HE3  LYS   9           HE1      LYS   9 -13.624  -2.652  -8.196
   72    HZ1  LYS   9           HZ1      LYS   9 -12.922   0.145  -8.903
   73    HZ2  LYS   9           HZ2      LYS   9 -14.258  -0.344  -7.989
   74    HZ3  LYS   9           HZ3      LYS   9 -14.151  -0.768  -9.621
   75    H    VAL  10           HN       VAL  10 -12.098  -2.455  -1.810
   76    HA   VAL  10           HA       VAL  10  -9.946  -1.131  -0.608
   77    HB   VAL  10           HB       VAL  10 -11.566  -3.242   0.806
   78   HG11  VAL  10          HG11      VAL  10 -10.292  -0.684   1.751
   79   HG12  VAL  10          HG12      VAL  10  -9.699  -2.321   2.053
   80   HG13  VAL  10          HG13      VAL  10 -11.230  -1.795   2.752
   81   HG21  VAL  10          HG21      VAL  10 -13.294  -1.702   1.268
   82   HG22  VAL  10          HG22      VAL  10 -13.031  -1.643  -0.478
   83   HG23  VAL  10          HG23      VAL  10 -12.388  -0.370   0.560
   84    H    GLU  11           HN       GLU  11 -10.634  -4.631  -0.722
   85    HA   GLU  11           HA       GLU  11  -8.179  -5.348   0.540
   86    HB2  GLU  11           HB2      GLU  11 -10.257  -6.737   0.575
   87    HB3  GLU  11           HB1      GLU  11 -10.012  -7.091  -1.129
   88    HG2  GLU  11           HG2      GLU  11  -7.873  -8.153  -0.592
   89    HG3  GLU  11           HG1      GLU  11  -8.146  -7.818   1.116
   90    H    GLU  12           HN       GLU  12  -9.061  -4.632  -2.717
   91    HA   GLU  12           HA       GLU  12  -6.911  -5.982  -4.000
   92    HB2  GLU  12           HB2      GLU  12  -8.915  -5.268  -5.227
   93    HB3  GLU  12           HB1      GLU  12  -8.524  -3.588  -4.901
   94    HG2  GLU  12           HG2      GLU  12  -6.596  -3.684  -6.285
   95    HG3  GLU  12           HG1      GLU  12  -6.734  -5.434  -6.453
   96    H    LEU  13           HN       LEU  13  -7.419  -2.683  -2.804
   97    HA   LEU  13           HA       LEU  13  -4.741  -1.850  -3.312
   98    HB2  LEU  13           HB2      LEU  13  -6.804  -0.788  -1.383
   99    HB3  LEU  13           HB1      LEU  13  -5.259  -0.019  -1.696
  100    HG   LEU  13           HG       LEU  13  -7.533  -0.379  -3.644
  101   HD11  LEU  13          HD11      LEU  13  -6.244   2.090  -2.500
  102   HD12  LEU  13          HD12      LEU  13  -7.797   1.420  -2.002
  103   HD13  LEU  13          HD13      LEU  13  -7.589   2.043  -3.640
  104   HD21  LEU  13          HD21      LEU  13  -6.119   0.872  -5.229
  105   HD22  LEU  13          HD22      LEU  13  -5.453  -0.709  -4.831
  106   HD23  LEU  13          HD23      LEU  13  -4.771   0.743  -4.099
  107    H    LEU  14           HN       LEU  14  -6.340  -3.580  -0.771
  108    HA   LEU  14           HA       LEU  14  -4.336  -3.449   1.209
  109    HB2  LEU  14           HB2      LEU  14  -6.725  -4.327   1.404
  110    HB3  LEU  14           HB1      LEU  14  -6.131  -5.806   0.682
  111    HG   LEU  14           HG       LEU  14  -4.486  -5.967   2.589
  112   HD11  LEU  14          HD11      LEU  14  -4.990  -4.718   4.613
  113   HD12  LEU  14          HD12      LEU  14  -6.267  -3.841   3.768
  114   HD13  LEU  14          HD13      LEU  14  -4.580  -3.624   3.292
  115   HD21  LEU  14          HD21      LEU  14  -6.492  -7.335   2.490
  116   HD22  LEU  14          HD22      LEU  14  -7.429  -6.040   3.235
  117   HD23  LEU  14          HD23      LEU  14  -6.156  -6.847   4.151
  118    H    SER  15           HN       SER  15  -4.663  -5.228  -1.722
  119    HA   SER  15           HA       SER  15  -2.737  -7.250  -1.206
  120    HB2  SER  15           HB2      SER  15  -3.673  -6.195  -3.887
  121    HB3  SER  15           HB1      SER  15  -2.898  -7.748  -3.580
  122    HG   SER  15           HG       SER  15  -5.256  -7.108  -2.193
  123    H    LYS  16           HN       LYS  16  -2.651  -4.144  -2.972
  124    HA   LYS  16           HA       LYS  16   0.151  -4.259  -3.395
  125    HB2  LYS  16           HB2      LYS  16  -1.779  -1.946  -3.426
  126    HB3  LYS  16           HB1      LYS  16  -0.048  -1.718  -3.637
  127    HG2  LYS  16           HG2      LYS  16  -0.334  -3.524  -5.500
  128    HG3  LYS  16           HG1      LYS  16  -2.024  -3.027  -5.442
  129    HD2  LYS  16           HD2      LYS  16   0.297  -1.140  -5.839
  130    HD3  LYS  16           HD1      LYS  16  -0.665  -1.818  -7.149
  131    HE2  LYS  16           HE2      LYS  16  -1.779  -0.131  -4.904
  132    HE3  LYS  16           HE1      LYS  16  -1.323   0.488  -6.491
  133    HZ1  LYS  16           HZ1      LYS  16  -2.960  -0.972  -7.495
  134    HZ2  LYS  16           HZ2      LYS  16  -3.686   0.050  -6.366
  135    HZ3  LYS  16           HZ3      LYS  16  -3.400  -1.569  -5.978
  136    H    ASN  17           HN       ASN  17  -1.872  -2.954  -0.798
  137    HA   ASN  17           HA       ASN  17   0.066  -1.767   0.790
  138    HB2  ASN  17           HB2      ASN  17  -2.504  -3.137   1.338
  139    HB3  ASN  17           HB1      ASN  17  -1.399  -3.007   2.697
  140   HD21  ASN  17          HD21      ASN  17  -3.424  -1.294   0.482
  141   HD22  ASN  17          HD22      ASN  17  -3.359   0.232   1.294
  142    H    TYR  18           HN       TYR  18  -0.872  -5.192   0.589
  143    HA   TYR  18           HA       TYR  18   0.993  -6.116   2.491
  144    HB2  TYR  18           HB2      TYR  18  -0.842  -7.522   1.737
  145    HB3  TYR  18           HB1      TYR  18  -0.187  -7.549   0.103
  146    HD1  TYR  18           HD1      TYR  18   0.559  -8.563   3.599
  147    HD2  TYR  18           HD2      TYR  18   1.367  -9.188  -0.530
  148    HE1  TYR  18           HE1      TYR  18   1.879 -10.557   4.165
  149    HE2  TYR  18           HE2      TYR  18   2.690 -11.182   0.024
  150    HH   TYR  18           HH       TYR  18   2.692 -12.570   3.182
  151    H    HIS  19           HN       HIS  19   1.243  -5.810  -1.035
  152    HA   HIS  19           HA       HIS  19   3.809  -6.991  -1.209
  153    HB2  HIS  19           HB2      HIS  19   2.210  -5.290  -3.103
  154    HB3  HIS  19           HB1      HIS  19   3.828  -5.855  -3.505
  155    HD1  HIS  19           HD1      HIS  19   0.546  -6.726  -4.237
  156    HD2  HIS  19           HD2      HIS  19   3.811  -8.912  -2.880
  157    HE1  HIS  19           HE1      HIS  19   0.050  -9.116  -4.825
  158    HE2  HIS  19           HE2      HIS  19   2.092 -10.405  -4.106
  159    H    LEU  20           HN       LEU  20   2.810  -3.574  -1.332
  160    HA   LEU  20           HA       LEU  20   5.348  -2.442  -1.667
  161    HB2  LEU  20           HB2      LEU  20   3.073  -1.275  -0.070
  162    HB3  LEU  20           HB1      LEU  20   4.381  -0.378  -0.802
  163    HG   LEU  20           HG       LEU  20   2.116  -1.765  -2.143
  164   HD11  LEU  20          HD11      LEU  20   1.563   0.389  -1.259
  165   HD12  LEU  20          HD12      LEU  20   1.616   0.462  -3.019
  166   HD13  LEU  20          HD13      LEU  20   2.955   1.107  -2.069
  167   HD21  LEU  20          HD21      LEU  20   4.525  -0.500  -3.426
  168   HD22  LEU  20          HD22      LEU  20   3.071  -0.999  -4.288
  169   HD23  LEU  20          HD23      LEU  20   4.076  -2.205  -3.485
  170    H    GLU  21           HN       GLU  21   3.458  -2.978   1.250
  171    HA   GLU  21           HA       GLU  21   5.289  -1.958   3.101
  172    HB2  GLU  21           HB2      GLU  21   2.783  -2.855   3.306
  173    HB3  GLU  21           HB1      GLU  21   3.613  -4.285   3.899
  174    HG2  GLU  21           HG2      GLU  21   4.692  -2.963   5.627
  175    HG3  GLU  21           HG1      GLU  21   3.908  -1.507   5.014
  176    H    ASN  22           HN       ASN  22   4.942  -5.222   1.783
  177    HA   ASN  22           HA       ASN  22   7.038  -6.384   3.297
  178    HB2  ASN  22           HB2      ASN  22   5.588  -7.154   0.792
  179    HB3  ASN  22           HB1      ASN  22   7.055  -8.013   1.236
  180   HD21  ASN  22          HD21      ASN  22   5.940  -9.924   1.546
  181   HD22  ASN  22          HD22      ASN  22   4.916 -10.186   2.913
  182    H    GLU  23           HN       GLU  23   6.922  -4.815   0.116
  183    HA   GLU  23           HA       GLU  23   9.595  -5.355  -0.607
  184    HB2  GLU  23           HB2      GLU  23   7.756  -3.101  -1.416
  185    HB3  GLU  23           HB1      GLU  23   9.344  -3.357  -2.126
  186    HG2  GLU  23           HG2      GLU  23   7.045  -5.301  -2.202
  187    HG3  GLU  23           HG1      GLU  23   7.568  -4.263  -3.526
  188    H    VAL  24           HN       VAL  24   8.147  -2.650   1.164
  189    HA   VAL  24           HA       VAL  24  10.461  -1.090   1.439
  190    HB   VAL  24           HB       VAL  24   8.260  -1.353   3.505
  191   HG11  VAL  24          HG11      VAL  24  10.254  -0.164   4.275
  192   HG12  VAL  24          HG12      VAL  24   8.873   0.923   4.117
  193   HG13  VAL  24          HG13      VAL  24  10.138   0.921   2.888
  194   HG21  VAL  24          HG21      VAL  24   7.300  -0.873   1.312
  195   HG22  VAL  24          HG22      VAL  24   8.400   0.492   1.124
  196   HG23  VAL  24          HG23      VAL  24   7.167   0.520   2.384
  197    H    ALA  25           HN       ALA  25   9.198  -3.769   3.370
  198    HA   ALA  25           HA       ALA  25  11.098  -3.651   5.449
  199    HB1  ALA  25           HB1      ALA  25  10.381  -5.928   5.988
  200    HB2  ALA  25           HB2      ALA  25   9.569  -6.049   4.428
  201    HB3  ALA  25           HB3      ALA  25   8.993  -4.898   5.634
  202    H    ARG  26           HN       ARG  26  11.021  -5.505   2.424
  203    HA   ARG  26           HA       ARG  26  13.424  -6.919   2.782
  204    HB2  ARG  26           HB2      ARG  26  12.292  -5.938   0.157
  205    HB3  ARG  26           HB1      ARG  26  13.418  -7.267   0.381
  206    HG2  ARG  26           HG2      ARG  26  10.557  -7.176   1.312
  207    HG3  ARG  26           HG1      ARG  26  11.188  -8.091  -0.056
  208    HD2  ARG  26           HD2      ARG  26  12.557  -9.428   1.454
  209    HD3  ARG  26           HD1      ARG  26  11.976  -8.487   2.829
  210    HE   ARG  26           HE       ARG  26   9.829  -9.633   1.352
  211   HH11  ARG  26          HH11      ARG  26  12.293 -10.393   3.720
  212   HH12  ARG  26          HH12      ARG  26  11.390 -11.691   4.432
  213   HH21  ARG  26          HH21      ARG  26   8.635 -11.345   2.284
  214   HH22  ARG  26          HH22      ARG  26   9.306 -12.231   3.617
  215    H    LEU  27           HN       LEU  27  12.790  -3.880   1.071
  216    HA   LEU  27           HA       LEU  27  15.441  -3.370   0.316
  217    HB2  LEU  27           HB2      LEU  27  12.965  -1.751   0.545
  218    HB3  LEU  27           HB1      LEU  27  14.486  -0.913   0.425
  219    HG   LEU  27           HG       LEU  27  14.923  -1.746  -1.744
  220   HD11  LEU  27          HD11      LEU  27  12.543  -3.572  -1.408
  221   HD12  LEU  27          HD12      LEU  27  14.234  -4.070  -1.395
  222   HD13  LEU  27          HD13      LEU  27  13.525  -3.399  -2.863
  223   HD21  LEU  27          HD21      LEU  27  13.352   0.064  -1.719
  224   HD22  LEU  27          HD22      LEU  27  12.009  -1.053  -1.477
  225   HD23  LEU  27          HD23      LEU  27  12.909  -1.071  -2.994
  226    H    LYS  28           HN       LYS  28  13.652  -2.521   3.234
  227    HA   LYS  28           HA       LYS  28  15.431  -0.656   4.307
  228    HB2  LYS  28           HB2      LYS  28  13.079  -1.473   5.113
  229    HB3  LYS  28           HB1      LYS  28  14.000  -2.639   6.047
  230    HG2  LYS  28           HG2      LYS  28  13.663  -0.931   7.556
  231    HG3  LYS  28           HG1      LYS  28  15.275  -0.576   6.936
  232    HD2  LYS  28           HD2      LYS  28  12.992   0.649   5.499
  233    HD3  LYS  28           HD1      LYS  28  13.330   1.266   7.114
  234    HE2  LYS  28           HE2      LYS  28  15.381   1.063   4.912
  235    HE3  LYS  28           HE1      LYS  28  14.450   2.513   5.266
  236    HZ1  LYS  28           HZ1      LYS  28  16.306   1.142   7.141
  237    HZ2  LYS  28           HZ2      LYS  28  15.402   2.532   7.486
  238    HZ3  LYS  28           HZ3      LYS  28  16.612   2.587   6.312
  239    H    LYS  29           HN       LYS  29  15.371  -4.165   4.478
  240    HA   LYS  29           HA       LYS  29  17.654  -4.389   6.201
  241    HB2  LYS  29           HB2      LYS  29  15.779  -6.065   6.002
  242    HB3  LYS  29           HB1      LYS  29  16.420  -6.501   4.425
  243    HG2  LYS  29           HG2      LYS  29  17.182  -8.107   6.002
  244    HG3  LYS  29           HG1      LYS  29  18.563  -7.103   5.542
  245    HD2  LYS  29           HD2      LYS  29  18.332  -5.806   7.584
  246    HD3  LYS  29           HD1      LYS  29  16.898  -6.741   8.035
  247    HE2  LYS  29           HE2      LYS  29  19.717  -7.770   7.752
  248    HE3  LYS  29           HE1      LYS  29  18.817  -7.556   9.252
  249    HZ1  LYS  29           HZ1      LYS  29  17.210  -9.210   8.409
  250    HZ2  LYS  29           HZ2      LYS  29  18.758  -9.845   8.629
  251    HZ3  LYS  29           HZ3      LYS  29  18.213  -9.477   7.073
  252    H    LEU  30           HN       LEU  30  17.171  -3.884   2.882
  253    HA   LEU  30           HA       LEU  30  19.695  -5.051   2.053
  254    HB2  LEU  30           HB2      LEU  30  17.538  -3.644   0.503
  255    HB3  LEU  30           HB1      LEU  30  19.010  -4.275  -0.213
  256    HG   LEU  30           HG       LEU  30  17.025  -5.992   1.273
  257   HD11  LEU  30          HD11      LEU  30  17.286  -5.511  -1.682
  258   HD12  LEU  30          HD12      LEU  30  15.945  -5.012  -0.652
  259   HD13  LEU  30          HD13      LEU  30  16.256  -6.723  -0.921
  260   HD21  LEU  30          HD21      LEU  30  19.150  -7.051   1.203
  261   HD22  LEU  30          HD22      LEU  30  19.401  -6.585  -0.478
  262   HD23  LEU  30          HD23      LEU  30  18.178  -7.786  -0.068
  263    H    VAL  31           HN       VAL  31  18.250  -1.929   2.661
  264    HA   VAL  31           HA       VAL  31  20.553  -0.420   1.883
  265    HB   VAL  31           HB       VAL  31  18.400   0.306   3.900
  266   HG11  VAL  31          HG11      VAL  31  20.401   1.671   4.160
  267   HG12  VAL  31          HG12      VAL  31  19.079   2.624   3.487
  268   HG13  VAL  31          HG13      VAL  31  20.377   2.055   2.438
  269   HG21  VAL  31          HG21      VAL  31  17.374   1.581   2.080
  270   HG22  VAL  31          HG22      VAL  31  17.437  -0.143   1.714
  271   HG23  VAL  31          HG23      VAL  31  18.589   0.961   0.962
  272    H    GLY  32           HN       GLY  32  19.598  -2.331   4.564
  273    HA2  GLY  32           HA2      GLY  32  21.010  -3.316   6.117
  274    HA3  GLY  32           HA1      GLY  32  22.281  -2.198   5.641
  275    H    GLU  33           HN       GLU  33  19.142  -0.976   6.408
  276    HA   GLU  33           HA       GLU  33  20.114  -0.108   9.041
  277    HB2  GLU  33           HB2      GLU  33  18.832   1.674   6.959
  278    HB3  GLU  33           HB1      GLU  33  19.139   2.143   8.623
  279    HG2  GLU  33           HG2      GLU  33  21.549   1.790   8.244
  280    HG3  GLU  33           HG1      GLU  33  21.201   1.425   6.555
  281    H1   GLY   1           HT1      GLY   1 -24.888   4.826   6.108
  282    H2   GLY   1           HT2      GLY   1 -23.613   3.764   6.429
  283    H3   GLY   1           HT3      GLY   1 -25.027   3.191   5.709
  284    HA2  GLY   1           HA1      GLY   1 -24.606   4.495   3.736
  285    HA3  GLY   1           HA2      GLY   1 -23.149   5.128   4.488
  286    H    SER   2           HN       SER   2 -22.856   3.951   2.097
  287    HA   SER   2           HA       SER   2 -21.376   1.537   2.795
  288    HB2  SER   2           HB2      SER   2 -22.228   0.493   0.619
  289    HB3  SER   2           HB1      SER   2 -23.365   0.545   1.969
  290    HG   SER   2           HG       SER   2 -24.520   2.063   0.973
  291    H    MET   3           HN       MET   3 -22.240   3.525  -0.025
  292    HA   MET   3           HA       MET   3 -20.007   2.959  -1.548
  293    HB2  MET   3           HB2      MET   3 -21.644   5.495  -1.524
  294    HB3  MET   3           HB1      MET   3 -20.520   5.036  -2.794
  295    HG2  MET   3           HG2      MET   3 -23.027   3.570  -2.003
  296    HG3  MET   3           HG1      MET   3 -22.788   4.543  -3.453
  297    HE1  MET   3           HE1      MET   3 -20.147   2.399  -5.419
  298    HE2  MET   3           HE2      MET   3 -19.744   3.636  -4.229
  299    HE3  MET   3           HE3      MET   3 -21.061   3.905  -5.370
  300    H    LYS   4           HN       LYS   4 -20.458   5.893   0.466
  301    HA   LYS   4           HA       LYS   4 -17.727   6.664  -0.099
  302    HB2  LYS   4           HB2      LYS   4 -19.936   7.989   1.458
  303    HB3  LYS   4           HB1      LYS   4 -18.303   8.628   1.420
  304    HG2  LYS   4           HG2      LYS   4 -19.445   9.841  -0.206
  305    HG3  LYS   4           HG1      LYS   4 -18.537   8.638  -1.117
  306    HD2  LYS   4           HD2      LYS   4 -20.738   8.759  -2.042
  307    HD3  LYS   4           HD1      LYS   4 -20.603   7.233  -1.168
  308    HE2  LYS   4           HE2      LYS   4 -21.791   8.181   0.723
  309    HE3  LYS   4           HE1      LYS   4 -21.862   9.747  -0.078
  310    HZ1  LYS   4           HZ1      LYS   4 -23.209   8.730  -1.823
  311    HZ2  LYS   4           HZ2      LYS   4 -23.942   8.584  -0.309
  312    HZ3  LYS   4           HZ3      LYS   4 -23.175   7.251  -1.007
  313    H    GLN   5           HN       GLN   5 -19.184   4.721   2.161
  314    HA   GLN   5           HA       GLN   5 -17.434   5.381   4.384
  315    HB2  GLN   5           HB2      GLN   5 -19.709   3.440   4.021
  316    HB3  GLN   5           HB1      GLN   5 -18.648   3.351   5.419
  317    HG2  GLN   5           HG2      GLN   5 -20.190   5.814   4.653
  318    HG3  GLN   5           HG1      GLN   5 -20.780   4.592   5.779
  319   HE21  GLN   5          HE21      GLN   5 -18.503   7.163   5.271
  320   HE22  GLN   5          HE22      GLN   5 -17.981   7.295   6.917
  321    H    LEU   6           HN       LEU   6 -18.145   2.687   2.217
  322    HA   LEU   6           HA       LEU   6 -15.884   1.140   2.930
  323    HB2  LEU   6           HB2      LEU   6 -17.751   1.211   0.592
  324    HB3  LEU   6           HB1      LEU   6 -16.273   0.288   0.483
  325    HG   LEU   6           HG       LEU   6 -18.373  -0.988   1.108
  326   HD11  LEU   6          HD11      LEU   6 -16.122  -1.890   1.377
  327   HD12  LEU   6          HD12      LEU   6 -17.189  -2.420   2.679
  328   HD13  LEU   6          HD13      LEU   6 -16.008  -1.145   2.972
  329   HD21  LEU   6          HD21      LEU   6 -19.287   0.614   2.710
  330   HD22  LEU   6          HD22      LEU   6 -17.895   0.360   3.766
  331   HD23  LEU   6          HD23      LEU   6 -19.023  -0.961   3.458
  332    H    GLU   7           HN       GLU   7 -16.539   3.547   0.420
  333    HA   GLU   7           HA       GLU   7 -14.030   3.586  -0.800
  334    HB2  GLU   7           HB2      GLU   7 -16.028   4.768  -1.660
  335    HB3  GLU   7           HB1      GLU   7 -15.882   5.930  -0.349
  336    HG2  GLU   7           HG2      GLU   7 -13.717   6.641  -1.210
  337    HG3  GLU   7           HG1      GLU   7 -13.852   5.467  -2.520
  338    H    ASP   8           HN       ASP   8 -15.168   5.099   2.188
  339    HA   ASP   8           HA       ASP   8 -12.939   6.717   2.729
  340    HB2  ASP   8           HB2      ASP   8 -14.953   5.342   4.437
  341    HB3  ASP   8           HB1      ASP   8 -13.481   5.905   5.221
  342    H    LYS   9           HN       LYS   9 -13.447   3.275   3.288
  343    HA   LYS   9           HA       LYS   9 -10.927   2.863   4.570
  344    HB2  LYS   9           HB2      LYS   9 -12.813   0.874   3.296
  345    HB3  LYS   9           HB1      LYS   9 -11.451   0.465   4.329
  346    HG2  LYS   9           HG2      LYS   9 -13.849   2.082   5.164
  347    HG3  LYS   9           HG1      LYS   9 -13.582   0.377   5.527
  348    HD2  LYS   9           HD2      LYS   9 -11.582   0.944   6.797
  349    HD3  LYS   9           HD1      LYS   9 -11.790   2.647   6.391
  350    HE2  LYS   9           HE2      LYS   9 -12.595   2.187   8.639
  351    HE3  LYS   9           HE1      LYS   9 -13.919   2.677   7.586
  352    HZ1  LYS   9           HZ1      LYS   9 -13.264  -0.125   8.322
  353    HZ2  LYS   9           HZ2      LYS   9 -14.565   0.372   7.359
  354    HZ3  LYS   9           HZ3      LYS   9 -14.514   0.796   8.994
  355    H    VAL  10           HN       VAL  10 -12.135   2.489   1.271
  356    HA   VAL  10           HA       VAL  10  -9.945   1.157   0.150
  357    HB   VAL  10           HB       VAL  10 -11.490   3.289  -1.317
  358   HG11  VAL  10          HG11      VAL  10 -10.201   0.723  -2.221
  359   HG12  VAL  10          HG12      VAL  10  -9.583   2.356  -2.493
  360   HG13  VAL  10          HG13      VAL  10 -11.089   1.844  -3.255
  361   HG21  VAL  10          HG21      VAL  10 -13.211   1.763  -1.855
  362   HG22  VAL  10          HG22      VAL  10 -13.020   1.697  -0.101
  363   HG23  VAL  10          HG23      VAL  10 -12.344   0.422  -1.115
  364    H    GLU  11           HN       GLU  11 -10.609   4.663   0.263
  365    HA   GLU  11           HA       GLU  11  -8.103   5.362  -0.909
  366    HB2  GLU  11           HB2      GLU  11 -10.164   6.771  -1.018
  367    HB3  GLU  11           HB1      GLU  11  -9.983   7.114   0.697
  368    HG2  GLU  11           HG2      GLU  11  -7.816   8.164   0.250
  369    HG3  GLU  11           HG1      GLU  11  -8.023   7.839  -1.470
  370    H    GLU  12           HN       GLU  12  -9.122   4.651   2.309
  371    HA   GLU  12           HA       GLU  12  -7.012   5.971   3.685
  372    HB2  GLU  12           HB2      GLU  12  -9.072   5.267   4.826
  373    HB3  GLU  12           HB1      GLU  12  -8.680   3.584   4.510
  374    HG2  GLU  12           HG2      GLU  12  -6.809   3.664   5.970
  375    HG3  GLU  12           HG1      GLU  12  -6.938   5.413   6.137
  376    H    LEU  13           HN       LEU  13  -7.501   2.683   2.457
  377    HA   LEU  13           HA       LEU  13  -4.853   1.824   3.069
  378    HB2  LEU  13           HB2      LEU  13  -6.845   0.788   1.053
  379    HB3  LEU  13           HB1      LEU  13  -5.321   0.007   1.428
  380    HG   LEU  13           HG       LEU  13  -7.668   0.379   3.283
  381   HD11  LEU  13          HD11      LEU  13  -6.351  -2.094   2.181
  382   HD12  LEU  13          HD12      LEU  13  -7.877  -1.412   1.624
  383   HD13  LEU  13          HD13      LEU  13  -7.741  -2.042   3.265
  384   HD21  LEU  13          HD21      LEU  13  -6.327  -0.894   4.914
  385   HD22  LEU  13          HD22      LEU  13  -5.634   0.687   4.551
  386   HD23  LEU  13          HD23      LEU  13  -4.935  -0.767   3.838
  387    H    LEU  14           HN       LEU  14  -6.333   3.577   0.470
  388    HA   LEU  14           HA       LEU  14  -4.248   3.440  -1.424
  389    HB2  LEU  14           HB2      LEU  14  -6.623   4.336  -1.713
  390    HB3  LEU  14           HB1      LEU  14  -6.047   5.808  -0.961
  391    HG   LEU  14           HG       LEU  14  -4.325   5.965  -2.802
  392   HD11  LEU  14          HD11      LEU  14  -4.755   4.726  -4.848
  393   HD12  LEU  14          HD12      LEU  14  -6.069   3.854  -4.059
  394   HD13  LEU  14          HD13      LEU  14  -4.406   3.623  -3.516
  395   HD21  LEU  14          HD21      LEU  14  -6.326   7.343  -2.779
  396   HD22  LEU  14          HD22      LEU  14  -7.239   6.057  -3.567
  397   HD23  LEU  14          HD23      LEU  14  -5.924   6.860  -4.426
  398    H    SER  15           HN       SER  15  -4.686   5.212   1.497
  399    HA   SER  15           HA       SER  15  -2.721   7.217   1.066
  400    HB2  SER  15           HB2      SER  15  -3.799   6.166   3.693
  401    HB3  SER  15           HB1      SER  15  -2.970   7.702   3.437
  402    HG   SER  15           HG       SER  15  -5.291   7.117   1.952
  403    H    LYS  16           HN       LYS  16  -2.734   4.101   2.818
  404    HA   LYS  16           HA       LYS  16   0.050   4.198   3.357
  405    HB2  LYS  16           HB2      LYS  16  -1.895   1.900   3.305
  406    HB3  LYS  16           HB1      LYS  16  -0.175   1.658   3.581
  407    HG2  LYS  16           HG2      LYS  16  -0.515   3.457   5.442
  408    HG3  LYS  16           HG1      LYS  16  -2.206   2.981   5.312
  409    HD2  LYS  16           HD2      LYS  16   0.073   1.064   5.797
  410    HD3  LYS  16           HD1      LYS  16  -0.935   1.750   7.068
  411    HE2  LYS  16           HE2      LYS  16  -1.978   0.091   4.772
  412    HE3  LYS  16           HE1      LYS  16  -1.589  -0.548   6.369
  413    HZ1  LYS  16           HZ1      LYS  16  -3.249   0.925   7.323
  414    HZ2  LYS  16           HZ2      LYS  16  -3.943  -0.085   6.163
  415    HZ3  LYS  16           HZ3      LYS  16  -3.626   1.533   5.794
  416    H    ASN  17           HN       ASN  17  -1.873   2.919   0.673
  417    HA   ASN  17           HA       ASN  17   0.119   1.720  -0.838
  418    HB2  ASN  17           HB2      ASN  17  -2.416   3.112  -1.480
  419    HB3  ASN  17           HB1      ASN  17  -1.261   2.980  -2.797
  420   HD21  ASN  17          HD21      ASN  17  -3.385   1.280  -0.675
  421   HD22  ASN  17          HD22      ASN  17  -3.301  -0.247  -1.484
  422    H    TYR  18           HN       TYR  18  -0.805   5.152  -0.667
  423    HA   TYR  18           HA       TYR  18   1.147   6.072  -2.480
  424    HB2  TYR  18           HB2      TYR  18  -0.709   7.488  -1.793
  425    HB3  TYR  18           HB1      TYR  18  -0.118   7.503  -0.134
  426    HD1  TYR  18           HD1      TYR  18   0.776   8.525  -3.597
  427    HD2  TYR  18           HD2      TYR  18   1.416   9.129   0.566
  428    HE1  TYR  18           HE1      TYR  18   2.139  10.510  -4.099
  429    HE2  TYR  18           HE2      TYR  18   2.777  11.116   0.075
  430    HH   TYR  18           HH       TYR  18   2.939  12.504  -3.081
  431    H    HIS  19           HN       HIS  19   1.248   5.748   1.053
  432    HA   HIS  19           HA       HIS  19   3.815   6.910   1.338
  433    HB2  HIS  19           HB2      HIS  19   2.131   5.211   3.160
  434    HB3  HIS  19           HB1      HIS  19   3.734   5.766   3.627
  435    HD1  HIS  19           HD1      HIS  19   0.423   6.657   4.222
  436    HD2  HIS  19           HD2      HIS  19   3.763   8.822   3.024
  437    HE1  HIS  19           HE1      HIS  19  -0.073   9.047   4.815
  438    HE2  HIS  19           HE2      HIS  19   1.997  10.326   4.163
  439    H    LEU  20           HN       LEU  20   2.784   3.502   1.398
  440    HA   LEU  20           HA       LEU  20   5.300   2.350   1.836
  441    HB2  LEU  20           HB2      LEU  20   3.085   1.202   0.145
  442    HB3  LEU  20           HB1      LEU  20   4.354   0.293   0.929
  443    HG   LEU  20           HG       LEU  20   2.047   1.699   2.178
  444   HD11  LEU  20          HD11      LEU  20   1.513  -0.447   1.263
  445   HD12  LEU  20          HD12      LEU  20   1.494  -0.530   3.023
  446   HD13  LEU  20          HD13      LEU  20   2.865  -1.180   2.125
  447   HD21  LEU  20          HD21      LEU  20   4.391   0.407   3.555
  448   HD22  LEU  20          HD22      LEU  20   2.906   0.914   4.359
  449   HD23  LEU  20          HD23      LEU  20   3.953   2.115   3.604
  450    H    GLU  21           HN       GLU  21   3.533   2.905  -1.154
  451    HA   GLU  21           HA       GLU  21   5.433   1.883  -2.931
  452    HB2  GLU  21           HB2      GLU  21   2.943   2.800  -3.239
  453    HB3  GLU  21           HB1      GLU  21   3.811   4.226  -3.792
  454    HG2  GLU  21           HG2      GLU  21   4.952   2.901  -5.475
  455    HG3  GLU  21           HG1      GLU  21   4.134   1.446  -4.896
  456    H    ASN  22           HN       ASN  22   5.058   5.143  -1.612
  457    HA   ASN  22           HA       ASN  22   7.221   6.296  -3.040
  458    HB2  ASN  22           HB2      ASN  22   5.678   7.061  -0.590
  459    HB3  ASN  22           HB1      ASN  22   7.167   7.916  -0.973
  460   HD21  ASN  22          HD21      ASN  22   6.094   9.832  -1.322
  461   HD22  ASN  22          HD22      ASN  22   5.120  10.112  -2.723
  462    H    GLU  23           HN       GLU  23   6.965   4.716   0.130
  463    HA   GLU  23           HA       GLU  23   9.612   5.230   0.964
  464    HB2  GLU  23           HB2      GLU  23   7.722   2.988   1.685
  465    HB3  GLU  23           HB1      GLU  23   9.281   3.228   2.460
  466    HG2  GLU  23           HG2      GLU  23   6.996   5.190   2.452
  467    HG3  GLU  23           HG1      GLU  23   7.462   4.144   3.793
  468    H    VAL  24           HN       VAL  24   8.214   2.541  -0.872
  469    HA   VAL  24           HA       VAL  24  10.526   0.967  -1.066
  470    HB   VAL  24           HB       VAL  24   8.410   1.256  -3.217
  471   HG11  VAL  24          HG11      VAL  24  10.426   0.050  -3.912
  472   HG12  VAL  24          HG12      VAL  24   9.029  -1.023  -3.816
  473   HG13  VAL  24          HG13      VAL  24  10.244  -1.039  -2.535
  474   HG21  VAL  24          HG21      VAL  24   7.361   0.774  -1.065
  475   HG22  VAL  24          HG22      VAL  24   8.443  -0.600  -0.841
  476   HG23  VAL  24          HG23      VAL  24   7.262  -0.615  -2.149
  477    H    ALA  25           HN       ALA  25   9.362   3.667  -3.028
  478    HA   ALA  25           HA       ALA  25  11.345   3.547  -5.029
  479    HB1  ALA  25           HB1      ALA  25  10.667   5.827  -5.590
  480    HB2  ALA  25           HB2      ALA  25   9.792   5.951  -4.063
  481    HB3  ALA  25           HB3      ALA  25   9.256   4.808  -5.295
  482    H    ARG  26           HN       ARG  26  11.161   5.388  -2.000
  483    HA   ARG  26           HA       ARG  26  13.587   6.780  -2.261
  484    HB2  ARG  26           HB2      ARG  26  12.343   5.793   0.311
  485    HB3  ARG  26           HB1      ARG  26  13.485   7.117   0.140
  486    HG2  ARG  26           HG2      ARG  26  10.665   7.047  -0.907
  487    HG3  ARG  26           HG1      ARG  26  11.244   7.955   0.488
  488    HD2  ARG  26           HD2      ARG  26  12.679   9.289  -0.961
  489    HD3  ARG  26           HD1      ARG  26  12.151   8.358  -2.361
  490    HE   ARG  26           HE       ARG  26   9.948   9.512  -0.973
  491   HH11  ARG  26          HH11      ARG  26  12.520  10.264  -3.225
  492   HH12  ARG  26          HH12      ARG  26  11.655  11.571  -3.966
  493   HH21  ARG  26          HH21      ARG  26   8.805  11.221  -1.943
  494   HH22  ARG  26          HH22      ARG  26   9.531  12.111  -3.243
  495    H    LEU  27           HN       LEU  27  12.858   3.740  -0.590
  496    HA   LEU  27           HA       LEU  27  15.471   3.199   0.269
  497    HB2  LEU  27           HB2      LEU  27  12.993   1.603  -0.068
  498    HB3  LEU  27           HB1      LEU  27  14.500   0.752   0.112
  499    HG   LEU  27           HG       LEU  27  14.857   1.578   2.297
  500   HD11  LEU  27          HD11      LEU  27  12.506   3.422   1.875
  501   HD12  LEU  27          HD12      LEU  27  14.200   3.909   1.930
  502   HD13  LEU  27          HD13      LEU  27  13.428   3.239   3.366
  503   HD21  LEU  27          HD21      LEU  27  13.276  -0.220   2.202
  504   HD22  LEU  27          HD22      LEU  27  11.953   0.909   1.910
  505   HD23  LEU  27          HD23      LEU  27  12.790   0.914   3.462
  506    H    LYS  28           HN       LYS  28  13.802   2.387  -2.726
  507    HA   LYS  28           HA       LYS  28  15.604   0.504  -3.729
  508    HB2  LYS  28           HB2      LYS  28  13.292   1.341  -4.625
  509    HB3  LYS  28           HB1      LYS  28  14.258   2.506  -5.516
  510    HG2  LYS  28           HG2      LYS  28  13.971   0.807  -7.047
  511    HG3  LYS  28           HG1      LYS  28  15.555   0.438  -6.363
  512    HD2  LYS  28           HD2      LYS  28  13.206  -0.777  -5.025
  513    HD3  LYS  28           HD1      LYS  28  13.606  -1.387  -6.629
  514    HE2  LYS  28           HE2      LYS  28  15.568  -1.214  -4.346
  515    HE3  LYS  28           HE1      LYS  28  14.638  -2.654  -4.741
  516    HZ1  LYS  28           HZ1      LYS  28  16.578  -1.295  -6.538
  517    HZ2  LYS  28           HZ2      LYS  28  15.679  -2.678  -6.920
  518    HZ3  LYS  28           HZ3      LYS  28  16.843  -2.744  -5.698
  519    H    LYS  29           HN       LYS  29  15.585   4.014  -3.878
  520    HA   LYS  29           HA       LYS  29  17.931   4.226  -5.517
  521    HB2  LYS  29           HB2      LYS  29  16.064   5.918  -5.386
  522    HB3  LYS  29           HB1      LYS  29  16.645   6.345  -3.785
  523    HG2  LYS  29           HG2      LYS  29  17.479   7.947  -5.326
  524    HG3  LYS  29           HG1      LYS  29  18.835   6.933  -4.816
  525    HD2  LYS  29           HD2      LYS  29  18.673   5.646  -6.871
  526    HD3  LYS  29           HD1      LYS  29  17.264   6.596  -7.374
  527    HE2  LYS  29           HE2      LYS  29  20.081   7.599  -6.973
  528    HE3  LYS  29           HE1      LYS  29  19.238   7.401  -8.508
  529    HZ1  LYS  29           HZ1      LYS  29  17.611   9.067  -7.722
  530    HZ2  LYS  29           HZ2      LYS  29  19.174   9.687  -7.875
  531    HZ3  LYS  29           HZ3      LYS  29  18.564   9.318  -6.344
  532    H    LEU  30           HN       LEU  30  17.312   3.716  -2.222
  533    HA   LEU  30           HA       LEU  30  19.811   4.862  -1.289
  534    HB2  LEU  30           HB2      LEU  30  17.578   3.464   0.163
  535    HB3  LEU  30           HB1      LEU  30  19.022   4.079   0.945
  536    HG   LEU  30           HG       LEU  30  17.116   5.822  -0.614
  537   HD11  LEU  30          HD11      LEU  30  17.250   5.325   2.348
  538   HD12  LEU  30          HD12      LEU  30  15.947   4.844   1.263
  539   HD13  LEU  30          HD13      LEU  30  16.265   6.551   1.552
  540   HD21  LEU  30          HD21      LEU  30  19.242   6.863  -0.447
  541   HD22  LEU  30          HD22      LEU  30  19.418   6.385   1.240
  542   HD23  LEU  30          HD23      LEU  30  18.223   7.598   0.787
  543    H    VAL  31           HN       VAL  31  18.366   1.751  -1.962
  544    HA   VAL  31           HA       VAL  31  20.622   0.217  -1.101
  545    HB   VAL  31           HB       VAL  31  18.544  -0.478  -3.207
  546   HG11  VAL  31          HG11      VAL  31  20.543  -1.859  -3.390
  547   HG12  VAL  31          HG12      VAL  31  19.187  -2.804  -2.776
  548   HG13  VAL  31          HG13      VAL  31  20.446  -2.251  -1.672
  549   HG21  VAL  31          HG21      VAL  31  17.439  -1.754  -1.434
  550   HG22  VAL  31          HG22      VAL  31  17.499  -0.032  -1.057
  551   HG23  VAL  31          HG23      VAL  31  18.615  -1.149  -0.267
  552    H    GLY  32           HN       GLY  32  19.790   2.144  -3.814
  553    HA2  GLY  32           HA2      GLY  32  21.273   3.125  -5.300
  554    HA3  GLY  32           HA1      GLY  32  22.517   1.998  -4.777
  555    H    GLU  33           HN       GLU  33  19.400   0.804  -5.680
  556    HA   GLU  33           HA       GLU  33  20.476  -0.062  -8.273
  557    HB2  GLU  33           HB2      GLU  33  19.090  -1.836  -6.253
  558    HB3  GLU  33           HB1      GLU  33  19.461  -2.303  -7.907
  559    HG2  GLU  33           HG2      GLU  33  21.859  -1.968  -7.425
  560    HG3  GLU  33           HG1      GLU  33  21.440  -1.612  -5.750