*HEADER    STRUCTURAL PROTEIN                      30-OCT-01   1K9R              
*TITLE     YAP65 WW DOMAIN COMPLEXED TO ACETYL-PLPPY                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 65 KDA YES-ASSOCIATED PROTEIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WILD TYPE WW DOMAIN;                                       
*COMPND   5 SYNONYM: YAP65;                                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: WW DOMAIN BINDING PROTEIN-1;                               
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: RESIDUES 149-153;                                          
*COMPND  11 SYNONYM: WBP-1;                                                      
*COMPND  12 ENGINEERED: YES;                                                     
*COMPND  13 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHETICALLY OBTAINED,             
*SOURCE   4 BY SEMIAUTOMATED SPOT SYNTHESIS IN A CELLULOSE SUPPORT.;             
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHETICALLY OBTAINED BY           
*SOURCE   8 SPOT SYNTHESIS IN A CELLULOSE SUPPORT.                               
*KEYWDS    WW DOMAIN, YAP65, BETA-SHEET PROTEINS, LIGANDS, PROLINE-              
*KEYWDS   2 RICH PEPTIDES                                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.R.PIRES, F.TAHA-NEJAD, F.TOEPERT, T.AST, U.HOFFMULLER,              
*AUTHOR   2 J.SCHNEIDER-MERGENER, R.KUHNE, M.J.MACIAS, H.OSCHKINAT               
*REVDAT   1   28-DEC-01 1K9R    0                                                

assi (resi 6    and name HN  ) (resi 7    and name HN  )  5.00  3.20  0.75
assi (resi 7    and name HA  ) (resi 8    and name HD1 )  3.50  1.70  0.40
assi (resi 7    and name HA  ) (resi 8    and name HD2 )  3.50  1.70  0.40
assi (resi 7    and name HG2#) (resi 8    and name HD1 )  4.00  2.20  0.75
assi (resi 7    and name HG2#) (resi 8    and name HD2 )  4.50  2.70  0.75
assi (resi 7    and name HD1#) (resi 44   and name HB1 )  4.00  2.20  0.75
assi (resi 7    and name HD1#) (resi 44   and name HG# )  4.00  2.20  0.75
assi (resi 7    and name HD1#) (resi 44   and name HD# )  5.00  3.20  0.75
assi (resi 8    and name HB# ) (resi 9    and name HN  )  4.00  2.20  0.75
assi (resi 8    and name HG# ) (resi 9    and name HN  )  4.00  2.20  0.75
assi (resi 8    and name HB# ) (resi 10   and name HN  )  4.50  2.70  0.75
assi (resi 8    and name HG# ) (resi 10   and name HN  )  4.00  2.20  0.75
assi (resi 9    and name HN  ) (resi 9    and name HB1 )  3.00  1.20  0.40
assi (resi 9    and name HN  ) (resi 9    and name HB2 )  2.50  0.70  0.30
assi (resi 9    and name HN  ) (resi 10   and name HN  )  3.00  1.20  0.40
assi (resi 9    and name HA  ) (resi 10   and name HN  )  4.00  2.20  0.75
assi (resi 9    and name HB1 ) (resi 10   and name HN  )  4.00  2.20  0.75
assi (resi 9    and name HB2 ) (resi 10   and name HN  )  4.50  2.70  0.75
assi (resi 10   and name HN  ) (resi 10   and name HB1 )  3.00  1.20  0.40
assi (resi 10   and name HN  ) (resi 10   and name HB2 )  3.00  1.20  0.40
assi (resi 10   and name HN  ) (resi 11   and name HN  )  3.00  1.20  0.40
assi (resi 10   and name HA  ) (resi 11   and name HN  )  4.00  2.20  0.75
assi (resi 11   and name HN  ) (resi 11   and name HB  )  3.00  1.20  0.40
assi (resi 11   and name HN  ) (resi 11   and name HG# )  3.00  1.20  0.40
assi (resi 11   and name HA  ) (resi 12   and name HD1 )  2.50  0.70  0.30
assi (resi 11   and name HA  ) (resi 12   and name HD2 )  3.00  1.20  0.40
assi (resi 11   and name HB  ) (resi 12   and name HD1 )  5.00  3.20  0.75
assi (resi 11   and name HG# ) (resi 12   and name HD1 )  4.00  2.20  0.75
assi (resi 11   and name HG# ) (resi 12   and name HD2 )  4.00  2.20  0.75
assi (resi 12   and name HA  ) (resi 13   and name HN  )  4.00  2.20  0.75
assi (resi 12   and name HG# ) (resi 13   and name HN  )  3.50  1.70  0.40
assi (resi 13   and name HA  ) (resi 14   and name HD1 )  3.00  1.20  0.40
assi (resi 13   and name HA  ) (resi 14   and name HD2 )  3.50  1.70  0.40
assi (resi 13   and name HG  ) (resi 14   and name HD1 )  4.00  2.20  0.75
assi (resi 13   and name HG  ) (resi 14   and name HD2 )  4.00  2.20  0.75
assi (resi 13   and name HB# ) (resi 14   and name HD1 )  4.00  2.20  0.75
assi (resi 13   and name HB# ) (resi 14   and name HD2 )  5.00  3.20  0.75
assi (resi 13   and name HB# ) (resi 17   and name HB1 )  4.00  2.20  0.75
assi (resi 13   and name HD# ) (resi 17   and name HB1 )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 17   and name HB2 )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 17   and name HE3 )  5.00  3.20  0.75
assi (resi 13   and name HD# ) (resi 29   and name HD# )  4.00  2.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HB1 )  4.00  2.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HB2 )  5.00  3.20  0.75
assi (resi 13   and name HA  ) (resi 43   and name HD1 )  5.00  3.20  0.75
assi (resi 14   and name HA  ) (resi 15   and name HN  )  2.50  0.70  0.30
assi (resi 14   and name HB1 ) (resi 15   and name HN  )  4.00  2.20  0.75
assi (resi 14   and name HB2 ) (resi 15   and name HN  )  3.00  1.20  0.40
assi (resi 14   and name HA  ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 14   and name HB1 ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 14   and name HB2 ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 14   and name HG2 ) (resi 17   and name HD1 )  4.50  2.70  0.75
assi (resi 14   and name HD1 ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 14   and name HD2 ) (resi 17   and name HD1 )  3.00  1.20  0.40
assi (resi 14   and name HG2 ) (resi 42   and name HB1 )  4.50  2.70  0.75
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.50  0.70  0.30
assi (resi 15   and name HB# ) (resi 16   and name HN  )  3.00  1.20  0.40
assi (resi 15   and name HA  ) (resi 17   and name HN  )  3.00  1.20  0.40
assi (resi 15   and name HB# ) (resi 17   and name HN  )  5.00  3.20  0.75
assi (resi 16   and name HN  ) (resi 17   and name HN  )  2.50  0.70  0.30
assi (resi 16   and name HA1 ) (resi 17   and name HN  )  4.00  2.20  0.75
assi (resi 16   and name HA2 ) (resi 17   and name HN  )  4.00  2.20  0.75
assi (resi 16   and name HA2 ) (resi 33   and name HG2#)  4.00  2.20  0.75
assi (resi 16   and name HA2 ) (resi 33   and name HD1#)  5.00  3.20  0.75
assi (resi 16   and name HA2 ) (resi 33   and name HG1#)  4.50  2.70  0.75
assi (resi 17   and name HN  ) (resi 17   and name HD1 )  3.00  1.20  0.40
assi (resi 17   and name HA  ) (resi 17   and name HB1 )  4.00  2.20  0.75
assi (resi 17   and name HA  ) (resi 17   and name HB2 )  4.00  2.20  0.75
assi (resi 17   and name HA  ) (resi 17   and name HD1 )  4.00  2.20  0.75
assi (resi 17   and name HA  ) (resi 17   and name HE3 )  5.00  3.20  0.75
assi (resi 17   and name HD1 ) (resi 17   and name HE1 )  2.50  0.70  0.30
assi (resi 17   and name HE1 ) (resi 17   and name HZ2 )  3.00  1.20  0.40
assi (resi 17   and name HE1 ) (resi 17   and name HH2 )  5.00  3.20  0.75
assi (resi 17   and name HA  ) (resi 18   and name HN  )  3.00  1.20  0.40
assi (resi 17   and name HB1 ) (resi 18   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HB2 ) (resi 18   and name HN  )  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 18   and name HN  )  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 29   and name HA  )  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 29   and name HB1 )  3.50  1.70  0.40
assi (resi 17   and name HE3 ) (resi 29   and name HB2 )  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 29   and name HD# )  4.00  2.20  0.75
assi (resi 17   and name HZ3 ) (resi 29   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 29   and name HA  )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 29   and name HB1 )  3.00  1.20  0.40
assi (resi 17   and name HZ3 ) (resi 29   and name HB2 )  3.00  1.20  0.40
assi (resi 17   and name HH2 ) (resi 29   and name HB1 )  4.00  2.20  0.75
assi (resi 17   and name HH2 ) (resi 29   and name HB2 )  3.50  1.70  0.40
assi (resi 17   and name HE3 ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 17   and name HA  ) (resi 31   and name HA  )  4.00  2.20  0.75
assi (resi 17   and name HE1 ) (resi 31   and name HD21)  5.00  3.20  0.75
assi (resi 17   and name HE1 ) (resi 31   and name HD22)  4.00  2.20  0.75
assi (resi 17   and name HZ2 ) (resi 31   and name HB1 )  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 31   and name HD21)  5.00  3.20  0.75
assi (resi 17   and name HZ2 ) (resi 31   and name HD22)  3.00  1.20  0.40
assi (resi 17   and name HZ3 ) (resi 31   and name HB1 )  3.00  1.20  0.40
assi (resi 17   and name HH2 ) (resi 31   and name HB1 )  4.00  2.20  0.75
assi (resi 17   and name HH2 ) (resi 31   and name HB2 )  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 31   and name HD22)  4.00  2.20  0.75
assi (resi 17   and name HA  ) (resi 32   and name HN  )  4.00  2.20  0.75
assi (resi 17   and name HD1 ) (resi 33   and name HB  )  5.00  3.20  0.75
assi (resi 17   and name HD1 ) (resi 33   and name HG1#)  5.00  3.20  0.75
assi (resi 17   and name HE1 ) (resi 33   and name HB  )  4.00  2.20  0.75
assi (resi 17   and name HE1 ) (resi 33   and name HD1#)  5.00  3.20  0.75
assi (resi 17   and name HE1 ) (resi 33   and name HG1#)  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 38   and name HG2#)  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 38   and name HG2#)  3.00  1.20  0.40
assi (resi 17   and name HH2 ) (resi 38   and name HB  )  5.00  3.20  0.75
assi (resi 17   and name HH2 ) (resi 38   and name HG2#)  4.00  2.20  0.75
assi (resi 17   and name HE3 ) (resi 42   and name HG# )  5.00  3.20  0.75
assi (resi 17   and name HZ3 ) (resi 42   and name HD2 )  5.50  3.70  0.75
assi (resi 18   and name HA  ) (resi 19   and name HN  )  2.50  0.70  0.30
assi (resi 18   and name HA  ) (resi 19   and name HE# )  4.00  2.20  0.75
assi (resi 18   and name HB1 ) (resi 19   and name HN  )  4.00  2.20  0.75
assi (resi 18   and name HB2 ) (resi 19   and name HN  )  4.00  2.20  0.75
assi (resi 18   and name HG# ) (resi 19   and name HN  )  5.00  3.20  0.75
assi (resi 18   and name HB1 ) (resi 20   and name HB# )  5.00  3.20  0.75
assi (resi 18   and name HB2 ) (resi 20   and name HB# )  4.00  2.20  0.75
assi (resi 18   and name HG# ) (resi 20   and name HB# )  5.00  3.20  0.75
assi (resi 18   and name HB1 ) (resi 30   and name HB2 )  3.00  1.20  0.40
assi (resi 18   and name HN  ) (resi 31   and name HA  )  5.00  3.20  0.75
assi (resi 18   and name HG# ) (resi 32   and name HD2 )  4.00  2.20  0.75
assi (resi 19   and name HN  ) (resi 19   and name HB1 )  3.00  1.20  0.40
assi (resi 19   and name HN  ) (resi 19   and name HB2 )  3.00  1.20  0.40
assi (resi 19   and name HA  ) (resi 20   and name HN  )  2.50  0.70  0.30
assi (resi 19   and name HB1 ) (resi 20   and name HN  )  3.00  1.20  0.40
assi (resi 19   and name HB2 ) (resi 20   and name HN  )  4.00  2.20  0.75
assi (resi 19   and name HG2 ) (resi 20   and name HN  )  4.00  2.20  0.75
assi (resi 19   and name HA  ) (resi 29   and name HD# )  3.00  1.20  0.40
assi (resi 19   and name HB1 ) (resi 29   and name HD# )  4.00  2.20  0.75
assi (resi 19   and name HB2 ) (resi 29   and name HD# )  4.00  2.20  0.75
assi (resi 19   and name HE# ) (resi 29   and name HD# )  5.00  3.20  0.75
assi (resi 19   and name HA  ) (resi 30   and name HN  )  4.00  2.20  0.75
assi (resi 20   and name HA  ) (resi 21   and name HN  )  3.00  1.20  0.40
assi (resi 20   and name HB# ) (resi 21   and name HN  )  3.00  1.20  0.40
assi (resi 20   and name HN  ) (resi 28   and name HN  )  3.00  1.20  0.40
assi (resi 20   and name HN  ) (resi 29   and name HA  )  5.00  3.20  0.75
assi (resi 21   and name HA  ) (resi 22   and name HN  )  3.00  1.20  0.40
assi (resi 21   and name HB1 ) (resi 22   and name HN  )  4.00  2.20  0.75
assi (resi 21   and name HA  ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 21   and name HA  ) (resi 28   and name HD# )  5.00  3.20  0.75
assi (resi 21   and name HA  ) (resi 28   and name HE# )  4.00  2.20  0.75
assi (resi 22   and name HA  ) (resi 23   and name HN  )  2.50  0.70  0.30
assi (resi 22   and name HB  ) (resi 23   and name HN  )  3.00  1.20  0.40
assi (resi 22   and name HN  ) (resi 26   and name HN  )  5.00  3.20  0.75
assi (resi 22   and name HG2#) (resi 26   and name HB1 )  4.50  2.70  0.75
assi (resi 22   and name HN  ) (resi 27   and name HA  )  5.00  3.20  0.75
assi (resi 22   and name HB  ) (resi 28   and name HE# )  3.00  1.20  0.40
assi (resi 22   and name HG2#) (resi 28   and name HD# )  4.00  2.20  0.75
assi (resi 22   and name HG2#) (resi 39   and name HE3 )  3.00  1.20  0.40
assi (resi 22   and name HG2#) (resi 39   and name HZ2 )  5.00  3.20  0.75
assi (resi 22   and name HG2#) (resi 39   and name HZ3 )  4.00  2.20  0.75
assi (resi 23   and name HN  ) (resi 24   and name HN  )  4.00  2.20  0.75
assi (resi 23   and name HA  ) (resi 24   and name HN  )  4.00  2.20  0.75
assi (resi 23   and name HB# ) (resi 24   and name HN  )  4.00  2.20  0.75
assi (resi 24   and name HN  ) (resi 25   and name HN  )  3.00  1.20  0.40
assi (resi 24   and name HA  ) (resi 25   and name HN  )  3.00  1.20  0.40
assi (resi 24   and name HB1 ) (resi 25   and name HN  )  5.00  3.20  0.75
assi (resi 24   and name HB2 ) (resi 25   and name HN  )  3.00  1.20  0.40
assi (resi 25   and name HN  ) (resi 26   and name HN  )  3.00  1.20  0.40
assi (resi 25   and name HA1 ) (resi 26   and name HN  )  5.00  3.20  0.75
assi (resi 25   and name HA2 ) (resi 26   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HN  ) (resi 26   and name HB1 )  4.00  2.20  0.75
assi (resi 26   and name HN  ) (resi 26   and name HB2 )  3.00  1.20  0.40
assi (resi 26   and name HN  ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HA  ) (resi 27   and name HN  )  2.50  0.70  0.30
assi (resi 26   and name HB1 ) (resi 27   and name HN  )  4.00  2.20  0.75
assi (resi 26   and name HB2 ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HG1 ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HG2 ) (resi 27   and name HN  )  5.00  3.20  0.75
assi (resi 26   and name HB1 ) (resi 39   and name HZ3 )  4.00  2.20  0.75
assi (resi 26   and name HB2 ) (resi 39   and name HZ3 )  4.00  2.20  0.75
assi (resi 26   and name HB2 ) (resi 39   and name HH2 )  4.00  2.20  0.75
assi (resi 26   and name HG1 ) (resi 39   and name HZ3 )  4.00  2.20  0.75
assi (resi 26   and name HG1 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (resi 26   and name HG2 ) (resi 39   and name HZ3 )  4.50  2.70  0.75
assi (resi 27   and name HA  ) (resi 28   and name HN  )  3.00  1.20  0.40
assi (resi 27   and name HB1 ) (resi 28   and name HN  )  4.50  2.70  0.75
assi (resi 27   and name HB2 ) (resi 28   and name HN  )  4.00  2.20  0.75
assi (resi 27   and name HG1 ) (resi 28   and name HN  )  3.00  1.20  0.40
assi (resi 27   and name HG2 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 27   and name HD1 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 27   and name HD2 ) (resi 28   and name HN  )  5.00  3.20  0.75
assi (resi 28   and name HN  ) (resi 28   and name HD# )  3.00  1.20  0.40
assi (resi 28   and name HA  ) (resi 28   and name HD# )  4.00  2.20  0.75
assi (resi 28   and name HB1 ) (resi 28   and name HD# )  2.50  0.70  0.30
assi (resi 28   and name HB2 ) (resi 28   and name HD# )  2.50  0.70  0.30
assi (resi 28   and name HA  ) (resi 29   and name HN  )  3.00  1.20  0.40
assi (resi 28   and name HA  ) (resi 29   and name HD# )  3.50  1.70  0.40
assi (resi 28   and name HB1 ) (resi 29   and name HN  )  3.00  1.20  0.40
assi (resi 28   and name HB2 ) (resi 29   and name HN  )  3.50  1.70  0.40
assi (resi 28   and name HD# ) (resi 29   and name HN  )  3.00  1.20  0.40
assi (resi 28   and name HD# ) (resi 30   and name HB1 )  5.50  3.70  1.5
assi (resi 28   and name HD# ) (resi 30   and name HB2 )  5.50  3.70  1.5
assi (resi 28   and name HD# ) (resi 30   and name HG  )  5.50  3.70  1.5
assi (resi 28   and name HD# ) (resi 30   and name HD1#)  5.00  3.20  0.75
assi (resi 28   and name HD# ) (resi 30   and name HD2#)  5.00  3.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HB1 )  3.00  1.20  0.40
assi (resi 28   and name HE# ) (resi 30   and name HB2 )  4.00  2.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HG  )  4.00  2.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HD1#)  4.00  2.20  0.75
assi (resi 28   and name HE# ) (resi 30   and name HD2#)  4.50  2.70  0.75
assi (resi 28   and name HD# ) (resi 37   and name HB  )  3.00  1.20  0.40
assi (resi 28   and name HD# ) (resi 37   and name HG2#)  4.50  2.70  0.75
assi (resi 28   and name HE# ) (resi 37   and name HB  )  4.00  2.20  0.75
assi (resi 28   and name HE# ) (resi 37   and name HG2#)  4.00  2.20  0.75
assi (resi 28   and name HA  ) (resi 39   and name HE3 )  4.00  2.20  0.75
assi (resi 28   and name HB1 ) (resi 39   and name HE3 )  4.00  2.20  0.75
assi (resi 28   and name HB2 ) (resi 39   and name HE3 )  4.00  2.20  0.75
assi (resi 28   and name HD# ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 29   and name HN  ) (resi 29   and name HD# )  3.00  1.20  0.40
assi (resi 29   and name HA  ) (resi 29   and name HD# )  3.00  1.20  0.40
assi (resi 29   and name HA  ) (resi 30   and name HN  )  2.50  0.70  0.30
assi (resi 29   and name HB1 ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 29   and name HB2 ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 29   and name HD# ) (resi 30   and name HN  )  5.00  3.20  0.75
assi (resi 29   and name HN  ) (resi 38   and name HN  )  4.00  2.20  0.75
assi (resi 29   and name HD# ) (resi 38   and name HG2#)  4.00  2.20  0.75
assi (resi 29   and name HN  ) (resi 39   and name HA  )  5.00  3.20  0.75
assi (resi 29   and name HD# ) (resi 39   and name HA  )  4.00  2.20  0.75
assi (resi 30   and name HA  ) (resi 31   and name HN  )  2.50  0.70  0.30
assi (resi 30   and name HB1 ) (resi 31   and name HN  )  5.00  3.20  0.75
assi (resi 30   and name HB2 ) (resi 31   and name HN  )  5.00  3.20  0.75
assi (resi 30   and name HG  ) (resi 31   and name HN  )  5.00  3.20  0.75
assi (resi 30   and name HD1#) (resi 32   and name HD2 )  5.00  3.20  0.75
assi (resi 30   and name HA  ) (resi 38   and name HN  )  5.00  3.20  0.75
assi (resi 31   and name HB1 ) (resi 31   and name HD22)  3.00  1.20  0.40
assi (resi 31   and name HB2 ) (resi 31   and name HD22)  4.00  2.20  0.75
assi (resi 31   and name HA  ) (resi 32   and name HN  )  2.50  0.70  0.30
assi (resi 31   and name HN  ) (resi 36   and name HN  )  4.00  2.20  0.75
assi (resi 31   and name HN  ) (resi 37   and name HA  )  5.00  3.20  0.75
assi (resi 32   and name HN  ) (resi 32   and name HD2 )  5.00  3.20  0.75
assi (resi 32   and name HA  ) (resi 32   and name HD2 )  4.00  2.20  0.75
assi (resi 32   and name HB1 ) (resi 32   and name HD2 )  3.00  1.20  0.40
assi (resi 32   and name HB2 ) (resi 32   and name HD2 )  4.00  2.20  0.75
assi (resi 32   and name HN  ) (resi 33   and name HN  )  3.00  1.20  0.40
assi (resi 32   and name HA  ) (resi 33   and name HN  )  3.00  1.20  0.40
assi (resi 32   and name HB1 ) (resi 33   and name HN  )  5.00  3.20  0.75
assi (resi 32   and name HB2 ) (resi 33   and name HN  )  5.00  3.20  0.75
assi (resi 32   and name HA  ) (resi 35   and name HA  )  5.00  3.20  0.75
assi (resi 33   and name HN  ) (resi 34   and name HN  )  3.00  1.20  0.40
assi (resi 33   and name HA  ) (resi 34   and name HN  )  5.00  3.20  0.75
assi (resi 33   and name HB  ) (resi 34   and name HN  )  3.00  1.20  0.40
assi (resi 33   and name HD1#) (resi 34   and name HN  )  5.00  3.20  0.75
assi (resi 33   and name HG1#) (resi 34   and name HN  )  3.00  1.20  0.40
assi (resi 34   and name HN  ) (resi 35   and name HN  )  2.50  0.70  0.30
assi (resi 34   and name HA  ) (resi 35   and name HN  )  4.00  2.20  0.75
assi (resi 34   and name HB1 ) (resi 35   and name HN  )  4.50  2.70  0.75
assi (resi 34   and name HB2 ) (resi 35   and name HN  )  5.00  3.20  0.75
assi (resi 35   and name HA  ) (resi 36   and name HN  )  3.50  1.70  0.40
assi (resi 36   and name HA  ) (resi 37   and name HN  )  2.50  0.70  0.30
assi (resi 36   and name HB  ) (resi 37   and name HN  )  2.50  0.70  0.30
assi (resi 36   and name HG2#) (resi 37   and name HN  )  5.00  3.20  0.75
assi (resi 37   and name HA  ) (resi 38   and name HN  )  3.00  1.20  0.40
assi (resi 37   and name HB  ) (resi 38   and name HN  )  4.00  2.20  0.75
assi (resi 37   and name HG2#) (resi 38   and name HN  )  5.00  3.20  0.75
assi (resi 38   and name HA  ) (resi 39   and name HN  )  2.50  0.70  0.30
assi (resi 38   and name HB  ) (resi 39   and name HN  )  4.00  2.20  0.75
assi (resi 38   and name HG2#) (resi 39   and name HN  )  4.00  2.20  0.75
assi (resi 39   and name HN  ) (resi 39   and name HA  )  4.00  2.20  0.75
assi (resi 39   and name HA  ) (resi 39   and name HE3 )  3.00  1.20  0.40
assi (resi 39   and name HB1 ) (resi 39   and name HD1 )  4.00  2.20  0.75
assi (resi 39   and name HB1 ) (resi 39   and name HE3 )  4.00  2.20  0.75
assi (resi 39   and name HB2 ) (resi 39   and name HD1 )  4.00  2.20  0.75
assi (resi 39   and name HB2 ) (resi 39   and name HE3 )  5.00  3.20  0.75
assi (resi 39   and name HD1 ) (resi 39   and name HE1 )  2.50  0.70  0.30
assi (resi 39   and name HE1 ) (resi 39   and name HZ2 )  2.50  0.70  0.30
assi (resi 39   and name HA  ) (resi 40   and name HN  )  5.00  3.20  0.75
assi (resi 40   and name HA  ) (resi 41   and name HN  )  3.00  1.20  0.40
assi (resi 40   and name HB1 ) (resi 41   and name HN  )  4.00  2.20  0.75
assi (resi 43   and name HA  ) (resi 44   and name HN  )  3.00  1.20  0.40
assi (segid "   2" and resi 1    and name HA  ) (resi 39   and name HZ2 )  4.00  2.20  0.75
assi (segid "   2" and resi 1    and name HB1 ) (resi 39   and name HZ2 )  4.00  2.20  0.75
assi (segid "   2" and resi 1    and name HB2 ) (resi 39   and name HH2 )  4.00  2.20  0.75
assi (segid "   2" and resi 2    and name HA  ) (segid "   2" and resi 3    and name HD1 )  3.50  1.70  0.40
assi (segid "   2" and resi 2    and name HA  ) (segid "   2" and resi 3    and name HD2 )  4.00  2.20  0.75
assi (segid "   2" and resi 2    and name HA  ) (resi 39   and name HZ2 )  4.00  2.20  0.75
assi (segid "   2" and resi 2    and name HG  ) (resi 39   and name HE1 )  5.00  3.20  0.75
assi (segid "   2" and resi 2    and name HB# ) (resi 39   and name HE1 )  3.00  1.20  0.40
assi (segid "   2" and resi 2    and name HD# ) (resi 39   and name HD1 )  5.00  3.20  0.75
assi (segid "   2" and resi 2    and name HD# ) (resi 39   and name HE1 )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HA  ) (segid "   2" and resi 4    and name HD1 )  2.50  0.70  0.30
assi (segid "   2" and resi 3    and name HA  ) (segid "   2" and resi 4    and name HD2 )  2.50  0.70  0.30
assi (segid "   2" and resi 3    and name HB2 ) (resi 28   and name HD# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HB2 ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HG# ) (resi 28   and name HE# )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HD1 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (segid "   2" and resi 3    and name HD2 ) (resi 39   and name HH2 )  5.00  3.20  0.75
assi (segid "   2" and resi 4    and name HA  ) (segid "   2" and resi 5    and name HN  )  2.50  0.70  0.30
assi (segid "   2" and resi 5    and name HD# ) (resi 30   and name HG  )  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 30   and name HD1#)  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 30   and name HD2#)  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 30   and name HD1#)  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 30   and name HD2#)  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 32   and name HA  )  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 35   and name HB# )  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HE# ) (resi 35   and name HB# )  5.00  3.20  0.75
assi (segid "   2" and resi 5    and name HB2 ) (resi 36   and name HA  )  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HA  ) (resi 37   and name HG2#)  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HB2 ) (resi 37   and name HG2#)  4.00  2.20  0.75
assi (segid "   2" and resi 5    and name HD# ) (resi 37   and name HG2#)  4.00  2.20  0.75
assi (resi 13   and name HD# ) (resi 29   and name HE# or resi 29   and name HZ  )  4.00  2.20  0.70
assi (resi 19   and name HA  ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 19   and name HB1 ) (resi 29   and name HE# or resi 29   and name HZ  )  4.00  2.20  0.75
assi (resi 19   and name HB2 ) (resi 29   and name HE# or resi 29   and name HZ  )  3.00  1.20  0.40
assi (resi 19   and name HG2 ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 19   and name HE# ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 27   and name HB1 ) (resi 29   and name HE# or resi 29   and name HZ  )  4.00  2.20  0.75
assi (resi 27   and name HB2 ) (resi 29   and name HE# or resi 29   and name HZ  )  3.00  1.20  0.40
assi (resi 27   and name HG2 ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assi (resi 28   and name HA  ) (resi 29   and name HE# or resi 29   and name HZ  )  5.00  3.20  0.75
assign ( resid  32  and name  n   )( resid  16  and name  o   )  2.9 0.3 0.5
assign ( resid  32  and name  hn  )( resid  16  and name  o   )  1.9 0.5 0.1
assign ( resid  22  and name  n   )( resid  26  and name  o   )  2.9 0.3 0.5
assign ( resid  22  and name  hn  )( resid  26  and name  o   )  1.9 0.5 0.1
assign ( resid  36  and name  n   )( resid  31  and name  o   )  2.9 0.3 0.5
assign ( resid  36  and name  hn  )( resid  31  and name  o   )  1.9 0.5 0.1
assign ( resid  31  and name  n   )( resid  36  and name  o   )  2.9 0.3 0.5
assign ( resid  31  and name  hn  )( resid  36  and name  o   )  1.9 0.5 0.1
assign ( resid  18  and name  n   )( resid  30  and name  o   )  2.9 0.3 0.5
assign ( resid  18  and name  o   )( resid  30  and name  n   )  2.9 0.3 0.5
assign ( resid  18  and name  hn  )( resid  30  and name  o   )  1.9 0.5 0.1
assign ( resid  18  and name  o   )( resid  30  and name  hn  )  1.9 0.5 0.1
assign ( resid  20  and name  n   )( resid  28  and name  o   )  2.9 0.3 0.5
assign ( resid  20  and name  o   )( resid  28  and name  n   )  2.9 0.3 0.5
assign ( resid  20  and name  hn  )( resid  28  and name  o   )  1.9 0.5 0.1
assign ( resid  20  and name  o   )( resid  28  and name  hn  )  1.9 0.5 0.1
assign ( resid  29  and name  n   )( resid  38  and name  o   )  2.9 0.3 0.5
assign ( resid  29  and name  o   )( resid  38  and name  n   )  2.9 0.3 0.5
assign ( resid  29  and name  hn  )( resid  38  and name  o   )  1.9 0.5 0.1
assign ( resid  29  and name  o   )( resid  38  and name  hn  )  1.9 0.5 0.1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PHE   5           H        PHE   5   2.966 -13.889  14.329
    2    HA   PHE   5           HA       PHE   5   3.414 -16.146  13.787
    3   1HB   PHE   5          2HB       PHE   5   0.853 -15.871  14.534
    4   2HB   PHE   5          1HB       PHE   5   0.580 -16.413  12.879
    5    HD1  PHE   5           1HD      PHE   5   0.931 -17.542  16.148
    6    HD2  PHE   5           2HD      PHE   5   2.292 -18.415  12.168
    7    HE1  PHE   5           1HE      PHE   5   1.422 -19.876  16.827
    8    HE2  PHE   5           2HE      PHE   5   2.784 -20.748  12.849
    9    HZ   PHE   5           HZ       PHE   5   2.349 -21.479  15.178
   10    H    GLU   6           H        GLU   6   4.718 -15.515  11.891
   11    HA   GLU   6           HA       GLU   6   5.258 -15.596   9.590
   12   1HB   GLU   6          2HB       GLU   6   3.772 -17.837  10.386
   13   2HB   GLU   6          1HB       GLU   6   3.028 -17.327   8.871
   14   1HG   GLU   6          2HG       GLU   6   5.579 -17.100   8.120
   15   2HG   GLU   6          1HG       GLU   6   5.806 -18.305   9.388
   16    H    ILE   7           H        ILE   7   3.959 -15.542   7.291
   17    HA   ILE   7           HA       ILE   7   2.046 -13.253   7.546
   18    HB   ILE   7           HB       ILE   7   3.861 -14.225   5.314
   19   1HG1  ILE   7          1HG1      ILE   7   5.017 -13.164   7.229
   20   2HG1  ILE   7          2HG1      ILE   7   5.093 -12.139   5.795
   21   1HG2  ILE   7          1HG2      ILE   7   1.685 -13.126   4.583
   22   2HG2  ILE   7          2HG2      ILE   7   3.156 -12.313   4.046
   23   3HG2  ILE   7          3HG2      ILE   7   2.239 -11.669   5.409
   24   1HD1  ILE   7          1HD1      ILE   7   4.162 -10.481   7.001
   25   2HD1  ILE   7          2HD1      ILE   7   3.925 -11.562   8.374
   26   3HD1  ILE   7          3HD1      ILE   7   2.693 -11.451   7.117
   27    HA   PRO   8           HA       PRO   8  -1.122 -15.920   5.995
   28   1HB   PRO   8          2HB       PRO   8  -2.853 -14.028   5.035
   29   2HB   PRO   8          1HB       PRO   8  -2.653 -14.367   6.765
   30   1HG   PRO   8          2HG       PRO   8  -1.512 -12.162   5.113
   31   2HG   PRO   8          1HG       PRO   8  -2.150 -12.119   6.763
   32   1HD   PRO   8          1HD       PRO   8   0.515 -12.172   6.178
   33   2HD   PRO   8          2HD       PRO   8  -0.170 -12.828   7.678
   34    H    ASP   9           H        ASP   9  -2.433 -16.146   3.823
   35    HA   ASP   9           HA       ASP   9  -0.743 -15.263   1.509
   36   1HB   ASP   9          2HB       ASP   9  -0.510 -17.695   2.503
   37   2HB   ASP   9          1HB       ASP   9  -2.023 -17.980   1.641
   38    H    ASP  10           H        ASP  10  -2.831 -13.716   1.798
   39    HA   ASP  10           HA       ASP  10  -4.969 -14.863   0.032
   40   1HB   ASP  10          1HB       ASP  10  -5.035 -13.680   2.700
   41   2HB   ASP  10          2HB       ASP  10  -6.112 -12.838   1.586
   42    H    VAL  11           H        VAL  11  -4.660 -11.568   1.307
   43    HA   VAL  11           HA       VAL  11  -3.843 -10.592  -1.391
   44    HB   VAL  11           HB       VAL  11  -6.284 -10.605  -1.323
   45   1HG1  VAL  11          1HG1      VAL  11  -5.821  -9.964   1.432
   46   2HG1  VAL  11          2HG1      VAL  11  -7.345 -10.376   0.648
   47   3HG1  VAL  11          3HG1      VAL  11  -6.819  -8.694   0.726
   48   1HG2  VAL  11          1HG2      VAL  11  -5.112  -7.845  -0.871
   49   2HG2  VAL  11          2HG2      VAL  11  -6.712  -8.152  -1.547
   50   3HG2  VAL  11          3HG2      VAL  11  -5.270  -8.676  -2.418
   51    HA   PRO  12           HA       PRO  12  -1.389  -7.981   1.226
   52   1HB   PRO  12          1HB       PRO  12  -0.597  -6.148  -0.645
   53   2HB   PRO  12          2HB       PRO  12   0.082  -7.784  -0.547
   54   1HG   PRO  12          2HG       PRO  12  -1.983  -6.690  -2.394
   55   2HG   PRO  12          1HG       PRO  12  -0.679  -7.839  -2.717
   56   1HD   PRO  12          2HD       PRO  12  -3.296  -8.557  -2.348
   57   2HD   PRO  12          1HD       PRO  12  -1.920  -9.628  -2.014
   58    H    LEU  13           H        LEU  13  -3.411  -6.209  -1.154
   59    HA   LEU  13           HA       LEU  13  -4.253  -4.385   1.078
   60   1HB   LEU  13          1HB       LEU  13  -3.767  -3.821  -1.867
   61   2HB   LEU  13          2HB       LEU  13  -4.329  -2.633  -0.691
   62    HG   LEU  13           HG       LEU  13  -2.125  -3.637   0.584
   63   1HD1  LEU  13          1HD2      LEU  13  -0.427  -4.215  -0.876
   64   2HD1  LEU  13          2HD2      LEU  13  -1.110  -3.283  -2.207
   65   3HD1  LEU  13          3HD2      LEU  13  -1.807  -4.844  -1.775
   66   1HD2  LEU  13          1HD1      LEU  13  -2.677  -1.260   0.278
   67   2HD2  LEU  13          2HD1      LEU  13  -2.220  -1.362  -1.422
   68   3HD2  LEU  13          3HD1      LEU  13  -0.997  -1.560  -0.167
   69    HA   PRO  14           HA       PRO  14  -8.343  -5.650   0.016
   70   1HB   PRO  14          2HB       PRO  14  -9.761  -3.507   0.957
   71   2HB   PRO  14          1HB       PRO  14  -9.037  -4.731   2.015
   72   1HG   PRO  14          1HG       PRO  14  -8.064  -2.004   1.321
   73   2HG   PRO  14          2HG       PRO  14  -8.008  -2.859   2.867
   74   1HD   PRO  14          2HD       PRO  14  -5.865  -2.615   1.187
   75   2HD   PRO  14          1HD       PRO  14  -6.072  -3.960   2.328
   76    H    ALA  15           H        ALA  15 -10.472  -4.033  -0.780
   77    HA   ALA  15           HA       ALA  15  -9.811  -3.491  -3.555
   78   1HB   ALA  15          1HB       ALA  15 -11.968  -4.358  -2.990
   79   2HB   ALA  15          2HB       ALA  15 -12.247  -2.691  -3.491
   80   3HB   ALA  15          3HB       ALA  15 -12.229  -3.105  -1.777
   81    H    GLY  16           H        GLY  16 -10.367  -1.330  -4.571
   82   1HA   GLY  16          1HA       GLY  16 -10.132   1.003  -4.711
   83   2HA   GLY  16          2HA       GLY  16 -10.453   1.067  -2.978
   84    H    TRP  17           H        TRP  17  -7.873  -1.027  -3.843
   85    HA   TRP  17           HA       TRP  17  -5.903   1.060  -2.972
   86   1HB   TRP  17          1HB       TRP  17  -6.405  -1.808  -2.355
   87   2HB   TRP  17          2HB       TRP  17  -4.717  -1.301  -2.425
   88    HD1  TRP  17           HD       TRP  17  -7.879  -0.928  -0.396
   89    HE1  TRP  17           1HE      TRP  17  -7.354   0.395   1.759
   90    HE3  TRP  17           3HE      TRP  17  -3.129   0.580  -1.447
   91    HZ2  TRP  17           2HZ      TRP  17  -5.176   1.895   2.884
   92    HZ3  TRP  17           3HZ      TRP  17  -1.857   1.951   0.169
   93    HH2  TRP  17           HH       TRP  17  -2.859   2.608   2.323
   94    H    GLU  18           H        GLU  18  -4.033   1.314  -4.239
   95    HA   GLU  18           HA       GLU  18  -3.688  -0.580  -6.541
   96   1HB   GLU  18          1HB       GLU  18  -4.569   2.146  -6.558
   97   2HB   GLU  18          2HB       GLU  18  -2.983   2.076  -7.315
   98   1HG   GLU  18          2HG       GLU  18  -4.503   1.662  -9.085
   99   2HG   GLU  18          1HG       GLU  18  -3.888   0.070  -8.642
  100    H    MET  19           H        MET  19  -1.723  -1.506  -5.647
  101    HA   MET  19           HA       MET  19   0.382   0.052  -4.497
  102   1HB   MET  19          1HB       MET  19   1.766  -1.928  -5.113
  103   2HB   MET  19          2HB       MET  19   0.311  -2.369  -4.238
  104   1HG   MET  19          1HG       MET  19  -0.595  -2.458  -6.816
  105   2HG   MET  19          2HG       MET  19   1.090  -2.904  -7.054
  106   1HE   MET  19          1HE       MET  19  -2.390  -4.403  -5.157
  107   2HE   MET  19          2HE       MET  19  -1.483  -3.048  -4.494
  108   3HE   MET  19          3HE       MET  19  -1.373  -4.629  -3.728
  109    H    ALA  20           H        ALA  20   1.508   1.581  -5.540
  110    HA   ALA  20           HA       ALA  20   2.133   1.192  -8.439
  111   1HB   ALA  20          1HB       ALA  20   1.781   3.886  -8.218
  112   2HB   ALA  20          2HB       ALA  20   0.639   3.319  -6.999
  113   3HB   ALA  20          3HB       ALA  20   0.486   2.777  -8.670
  114    H    LYS  21           H        LYS  21   3.659   3.538  -8.753
  115    HA   LYS  21           HA       LYS  21   5.768   3.158  -6.667
  116   1HB   LYS  21          2HB       LYS  21   7.398   3.397  -8.519
  117   2HB   LYS  21          1HB       LYS  21   6.290   2.057  -8.816
  118   1HG   LYS  21          2HG       LYS  21   4.913   3.507 -10.258
  119   2HG   LYS  21          1HG       LYS  21   6.006   4.856  -9.951
  120   1HD   LYS  21          1HD       LYS  21   7.571   2.609 -10.787
  121   2HD   LYS  21          2HD       LYS  21   6.246   2.815 -11.933
  122   1HE   LYS  21          2HE       LYS  21   7.736   4.338 -12.847
  123   2HE   LYS  21          1HE       LYS  21   6.987   5.406 -11.644
  124   1HZ   LYS  21          1HZ       LYS  21   9.506   5.221 -11.574
  125   2HZ   LYS  21          2HZ       LYS  21   9.280   3.641 -10.992
  126   3HZ   LYS  21          3HZ       LYS  21   8.693   4.967 -10.108
  127    H    THR  22           H        THR  22   6.663   4.972  -5.813
  128    HA   THR  22           HA       THR  22   6.000   7.602  -7.093
  129    HB   THR  22           HB       THR  22   4.437   7.026  -5.245
  130    HG1  THR  22           1HG      THR  22   5.132   9.199  -5.584
  131   1HG2  THR  22          1HG2      THR  22   6.160   5.591  -4.034
  132   2HG2  THR  22          2HG2      THR  22   5.234   6.678  -2.997
  133   3HG2  THR  22          3HG2      THR  22   6.880   7.096  -3.467
  134    H    SER  23           H        SER  23   7.207   9.137  -5.065
  135    HA   SER  23           HA       SER  23   9.336  10.060  -4.603
  136   1HB   SER  23          1HB       SER  23   9.415   8.559  -2.834
  137   2HB   SER  23          2HB       SER  23   9.347   7.150  -3.892
  138    HG   SER  23           HG       SER  23  11.418   7.286  -3.163
  139    H    SER  24           H        SER  24  10.881   7.044  -5.572
  140    HA   SER  24           HA       SER  24  11.615   8.144  -8.219
  141   1HB   SER  24          1HB       SER  24  13.193   8.364  -5.826
  142   2HB   SER  24          2HB       SER  24  14.028   7.315  -6.972
  143    HG   SER  24           HG       SER  24  13.734   8.957  -8.547
  144    H    GLY  25           H        GLY  25  12.092   5.559  -5.845
  145   1HA   GLY  25          2HA       GLY  25  11.659   3.551  -7.958
  146   2HA   GLY  25          1HA       GLY  25  13.239   3.504  -7.175
  147    H    GLN  26           H        GLN  26  10.081   4.253  -5.709
  148    HA   GLN  26           HA       GLN  26  10.377   1.779  -4.034
  149   1HB   GLN  26          2HB       GLN  26  10.263   4.634  -3.364
  150   2HB   GLN  26          1HB       GLN  26   9.084   3.674  -2.470
  151   1HG   GLN  26          1HG       GLN  26  10.959   3.474  -1.100
  152   2HG   GLN  26          2HG       GLN  26  11.124   2.042  -2.116
  153   1HE2  GLN  26          1HE2      GLN  26  12.530   5.160  -1.338
  154   2HE2  GLN  26          2HE2      GLN  26  13.868   5.034  -2.376
  155    H    ARG  27           H        ARG  27   8.478   0.584  -3.833
  156    HA   ARG  27           HA       ARG  27   6.166   1.415  -5.438
  157   1HB   ARG  27          1HB       ARG  27   7.231  -1.013  -4.206
  158   2HB   ARG  27          2HB       ARG  27   5.491  -0.865  -3.977
  159   1HG   ARG  27          2HG       ARG  27   5.568  -1.884  -6.068
  160   2HG   ARG  27          1HG       ARG  27   5.513  -0.176  -6.518
  161   1HD   ARG  27          2HD       ARG  27   7.447  -0.517  -7.662
  162   2HD   ARG  27          1HD       ARG  27   8.250  -0.771  -6.102
  163    HE   ARG  27           HE       ARG  27   8.155  -3.106  -6.500
  164   1HH1  ARG  27          1HH2      ARG  27   5.983  -1.392  -8.612
  165   2HH1  ARG  27          2HH2      ARG  27   5.582  -2.804  -9.527
  166   1HH2  ARG  27          1HH1      ARG  27   7.619  -4.925  -7.702
  167   2HH2  ARG  27          2HH1      ARG  27   6.500  -4.789  -9.018
  168    H    TYR  28           H        TYR  28   4.549   2.613  -4.631
  169    HA   TYR  28           HA       TYR  28   4.099   2.562  -1.670
  170   1HB   TYR  28          1HB       TYR  28   3.274   4.803  -1.896
  171   2HB   TYR  28          2HB       TYR  28   4.707   4.744  -2.914
  172    HD1  TYR  28           1HD      TYR  28   4.483   4.559  -5.373
  173    HD2  TYR  28           2HD      TYR  28   1.057   5.096  -2.848
  174    HE1  TYR  28           1HE      TYR  28   3.129   5.205  -7.345
  175    HE2  TYR  28           2HE      TYR  28  -0.287   5.735  -4.824
  176    HH   TYR  28           HH       TYR  28   0.874   6.760  -7.573
  177    H    PHE  29           H        PHE  29   1.606   3.176  -1.345
  178    HA   PHE  29           HA       PHE  29   0.076   1.394  -3.173
  179   1HB   PHE  29          2HB       PHE  29   0.137   1.531  -0.145
  180   2HB   PHE  29          1HB       PHE  29  -1.035   0.576  -1.068
  181    HD1  PHE  29           1HD      PHE  29  -0.392  -1.390  -2.263
  182    HD2  PHE  29           2HD      PHE  29   2.618   1.027  -0.380
  183    HE1  PHE  29           1HE      PHE  29   1.297  -3.134  -2.746
  184    HE2  PHE  29           2HE      PHE  29   4.307  -0.729  -0.859
  185    HZ   PHE  29           HZ       PHE  29   3.646  -2.805  -2.041
  186    H    LEU  30           H        LEU  30  -0.920   2.902  -4.293
  187    HA   LEU  30           HA       LEU  30  -1.925   5.388  -3.350
  188   1HB   LEU  30          1HB       LEU  30  -1.351   4.325  -5.705
  189   2HB   LEU  30          2HB       LEU  30  -3.036   3.838  -5.687
  190    HG   LEU  30           HG       LEU  30  -3.771   5.948  -6.074
  191   1HD1  LEU  30          1HD2      LEU  30  -2.954   6.905  -3.929
  192   2HD1  LEU  30          2HD2      LEU  30  -2.834   8.031  -5.279
  193   3HD1  LEU  30          3HD2      LEU  30  -1.402   7.196  -4.707
  194   1HD2  LEU  30          1HD1      LEU  30  -2.664   6.590  -7.898
  195   2HD2  LEU  30          2HD1      LEU  30  -1.499   5.333  -7.480
  196   3HD2  LEU  30          3HD1      LEU  30  -1.226   6.997  -6.961
  197    H    ASN  31           H        ASN  31  -3.325   5.287  -1.635
  198    HA   ASN  31           HA       ASN  31  -5.434   3.300  -1.362
  199   1HB   ASN  31          1HB       ASN  31  -4.338   4.224   0.574
  200   2HB   ASN  31          2HB       ASN  31  -4.630   5.874   0.030
  201   1HD2  ASN  31          1HD2      ASN  31  -5.627   3.827   2.346
  202   2HD2  ASN  31          2HD2      ASN  31  -7.252   4.278   2.489
  203    H    HIS  32           H        HIS  32  -7.049   3.459  -2.941
  204    HA   HIS  32           HA       HIS  32  -8.027   6.076  -3.852
  205   1HB   HIS  32          1HB       HIS  32  -7.916   3.431  -4.797
  206   2HB   HIS  32          2HB       HIS  32  -9.632   3.758  -4.557
  207    HD1  HIS  32           1HD      HIS  32 -10.211   6.416  -5.486
  208    HD2  HIS  32           2HD      HIS  32  -7.162   4.239  -7.316
  209    HE1  HIS  32           1HE      HIS  32  -9.840   7.472  -7.758
  210    H    ILE  33           H        ILE  33  -8.911   3.618  -1.550
  211    HA   ILE  33           HA       ILE  33 -11.654   4.114  -1.145
  212    HB   ILE  33           HB       ILE  33 -11.153   3.294   1.168
  213   1HG1  ILE  33          1HG1      ILE  33  -8.272   3.493   0.241
  214   2HG1  ILE  33          2HG1      ILE  33  -9.016   4.445   1.525
  215   1HG2  ILE  33          1HG2      ILE  33 -11.439   1.691  -0.647
  216   2HG2  ILE  33          2HG2      ILE  33 -10.155   1.132   0.426
  217   3HG2  ILE  33          3HG2      ILE  33  -9.751   1.885  -1.118
  218   1HD1  ILE  33          1HD1      ILE  33  -9.296   2.552   2.922
  219   2HD1  ILE  33          2HD1      ILE  33  -7.671   2.387   2.259
  220   3HD1  ILE  33          3HD1      ILE  33  -8.994   1.428   1.599
  221    H    ASP  34           H        ASP  34  -8.855   5.823   0.220
  222    HA   ASP  34           HA       ASP  34 -10.706   8.040   1.033
  223   1HB   ASP  34          1HB       ASP  34  -9.712   6.470   2.837
  224   2HB   ASP  34          2HB       ASP  34  -8.173   7.258   2.484
  225    H    GLN  35           H        GLN  35  -8.688   7.440  -1.309
  226    HA   GLN  35           HA       GLN  35  -7.166   8.710  -2.594
  227   1HB   GLN  35          1HB       GLN  35  -8.821  10.642  -1.003
  228   2HB   GLN  35          2HB       GLN  35  -7.495  11.268  -1.982
  229   1HG   GLN  35          2HG       GLN  35  -9.475   9.330  -3.163
  230   2HG   GLN  35          1HG       GLN  35  -9.857  11.050  -3.072
  231   1HE2  GLN  35          1HE2      GLN  35  -9.180   9.270  -5.477
  232   2HE2  GLN  35          2HE2      GLN  35  -7.905  10.080  -6.252
  233    H    THR  36           H        THR  36  -5.254   7.799  -1.564
  234    HA   THR  36           HA       THR  36  -3.552   9.784  -0.281
  235    HB   THR  36           HB       THR  36  -3.350   7.963   1.718
  236    HG1  THR  36           1HG      THR  36  -6.116   8.026   1.178
  237   1HG2  THR  36          1HG2      THR  36  -3.921   9.795   2.880
  238   2HG2  THR  36          2HG2      THR  36  -5.593   9.662   2.333
  239   3HG2  THR  36          3HG2      THR  36  -4.418  10.555   1.368
  240    H    THR  37           H        THR  37  -1.407   8.565   0.444
  241    HA   THR  37           HA       THR  37  -0.957   6.141  -1.254
  242    HB   THR  37           HB       THR  37   1.079   7.178  -2.151
  243    HG1  THR  37           1HG      THR  37   1.256   9.519  -1.620
  244   1HG2  THR  37          1HG2      THR  37  -0.694   9.455  -2.629
  245   2HG2  THR  37          2HG2      THR  37  -1.511   7.905  -2.798
  246   3HG2  THR  37          3HG2      THR  37  -0.076   8.252  -3.760
  247    H    THR  38           H        THR  38  -0.163   4.606   0.144
  248    HA   THR  38           HA       THR  38   1.708   5.558   2.300
  249    HB   THR  38           HB       THR  38  -0.503   4.781   3.117
  250    HG1  THR  38           1HG      THR  38   0.336   3.199   4.534
  251   1HG2  THR  38          1HG2      THR  38   0.277   2.256   1.650
  252   2HG2  THR  38          2HG2      THR  38  -1.135   3.270   1.361
  253   3HG2  THR  38          3HG2      THR  38  -1.014   2.327   2.847
  254    H    TRP  39           H        TRP  39   3.649   4.411   2.477
  255    HA   TRP  39           HA       TRP  39   4.530   2.866   0.203
  256   1HB   TRP  39          2HB       TRP  39   5.794   2.914   2.957
  257   2HB   TRP  39          1HB       TRP  39   6.601   2.735   1.404
  258    HD1  TRP  39           HD       TRP  39   5.272   5.310   3.814
  259    HE1  TRP  39           1HE      TRP  39   5.933   7.668   3.007
  260    HE3  TRP  39           3HE      TRP  39   7.059   4.212  -0.865
  261    HZ2  TRP  39           2HZ      TRP  39   7.073   8.913   0.726
  262    HZ3  TRP  39           3HZ      TRP  39   7.942   6.002  -2.306
  263    HH2  TRP  39           HH       TRP  39   7.946   8.355  -1.530
  264    H    GLN  40           H        GLN  40   3.367   2.010   3.444
  265    HA   GLN  40           HA       GLN  40   3.734  -0.885   2.825
  266   1HB   GLN  40          1HB       GLN  40   3.131   0.734   5.312
  267   2HB   GLN  40          2HB       GLN  40   3.107  -1.029   5.299
  268   1HG   GLN  40          2HG       GLN  40   5.345  -1.063   5.526
  269   2HG   GLN  40          1HG       GLN  40   5.511  -0.172   4.013
  270   1HE2  GLN  40          1HE2      GLN  40   4.316   0.697   7.318
  271   2HE2  GLN  40          2HE2      GLN  40   5.270   2.094   7.450
  272    H    ASP  41           H        ASP  41   1.831  -2.294   3.619
  273    HA   ASP  41           HA       ASP  41  -0.697  -1.138   2.547
  274   1HB   ASP  41          1HB       ASP  41  -1.321  -3.528   2.364
  275   2HB   ASP  41          2HB       ASP  41   0.238  -3.223   1.596
  276    HA   PRO  42           HA       PRO  42  -2.503  -1.014   6.566
  277   1HB   PRO  42          1HB       PRO  42  -5.137  -1.444   5.958
  278   2HB   PRO  42          2HB       PRO  42  -4.303   0.085   5.618
  279   1HG   PRO  42          2HG       PRO  42  -4.956  -2.174   3.788
  280   2HG   PRO  42          1HG       PRO  42  -5.006  -0.431   3.488
  281   1HD   PRO  42          2HD       PRO  42  -2.982  -2.061   2.639
  282   2HD   PRO  42          1HD       PRO  42  -2.775  -0.331   2.980
  283    H    ARG  43           H        ARG  43  -2.922  -3.804   4.507
  284    HA   ARG  43           HA       ARG  43  -3.440  -5.482   6.942
  285   1HB   ARG  43          2HB       ARG  43  -4.888  -5.133   4.447
  286   2HB   ARG  43          1HB       ARG  43  -4.409  -6.816   4.662
  287   1HG   ARG  43          2HG       ARG  43  -5.351  -6.700   7.000
  288   2HG   ARG  43          1HG       ARG  43  -5.985  -5.102   6.602
  289   1HD   ARG  43          2HD       ARG  43  -7.534  -5.960   5.062
  290   2HD   ARG  43          1HD       ARG  43  -6.598  -7.446   4.805
  291    HE   ARG  43           HE       ARG  43  -8.509  -6.991   6.953
  292   1HH1  ARG  43          1HH2      ARG  43  -5.535  -8.581   6.086
  293   2HH1  ARG  43          2HH2      ARG  43  -5.722  -9.820   7.279
  294   1HH2  ARG  43          1HH1      ARG  43  -8.729  -8.610   8.493
  295   2HH2  ARG  43          2HH1      ARG  43  -7.515  -9.838   8.632
  296    H    LYS  44           H        LYS  44  -1.764  -6.882   7.288
  297    HA   LYS  44           HA       LYS  44  -0.085  -7.689   4.932
  298   1HB   LYS  44          2HB       LYS  44   0.798  -6.181   6.862
  299   2HB   LYS  44          1HB       LYS  44   0.786  -7.661   7.822
  300   1HG   LYS  44          2HG       LYS  44   2.985  -7.475   6.870
  301   2HG   LYS  44          1HG       LYS  44   2.150  -8.740   5.969
  302   1HD   LYS  44          2HD       LYS  44   1.444  -6.526   4.532
  303   2HD   LYS  44          1HD       LYS  44   3.059  -6.071   5.074
  304   1HE   LYS  44          2HE       LYS  44   4.068  -7.646   3.752
  305   2HE   LYS  44          1HE       LYS  44   2.813  -8.857   4.080
  306   1HZ   LYS  44          1HZ       LYS  44   2.445  -6.441   2.380
  307   2HZ   LYS  44          2HZ       LYS  44   1.305  -7.674   2.641
  308   3HZ   LYS  44          3HZ       LYS  44   2.731  -8.000   1.777
  309   1H    ACE  45          1H        ACE  45   6.513  15.313  -0.981
  310   2H    ACE  45          2H        ACE  45   8.184  14.995  -0.518
  311   3H    ACE  45          3H        ACE  45   7.513  16.616  -0.341
  312    HA   PRO  46           HA       PRO  46   8.415  13.059   0.294
  313   1HB   PRO  46          2HB       PRO  46   8.160  11.180   2.263
  314   2HB   PRO  46          1HB       PRO  46   9.562  12.261   2.137
  315   1HG   PRO  46          2HG       PRO  46   7.199  12.425   3.932
  316   2HG   PRO  46          1HG       PRO  46   8.896  12.811   4.258
  317   1HD   PRO  46          2HD       PRO  46   6.975  14.690   3.757
  318   2HD   PRO  46          1HD       PRO  46   8.706  14.930   3.435
  319    H    LEU  47           H        LEU  47   7.336  10.775  -0.004
  320    HA   LEU  47           HA       LEU  47   5.439   9.525  -0.611
  321   1HB   LEU  47          1HB       LEU  47   5.097   9.832   1.874
  322   2HB   LEU  47          2HB       LEU  47   4.076  11.221   1.504
  323    HG   LEU  47           HG       LEU  47   2.740   9.642  -0.007
  324   1HD1  LEU  47          1HD1      LEU  47   4.652   7.902   0.126
  325   2HD1  LEU  47          2HD1      LEU  47   2.998   7.306   0.253
  326   3HD1  LEU  47          3HD1      LEU  47   3.981   7.489   1.705
  327   1HD2  LEU  47          1HD2      LEU  47   1.275   9.452   1.718
  328   2HD2  LEU  47          2HD2      LEU  47   2.502  10.300   2.659
  329   3HD2  LEU  47          3HD2      LEU  47   2.419   8.539   2.702
  330    HA   PRO  48           HA       PRO  48   3.542  12.258  -3.541
  331   1HB   PRO  48          2HB       PRO  48   1.831  10.477  -4.709
  332   2HB   PRO  48          1HB       PRO  48   3.577  10.485  -5.022
  333   1HG   PRO  48          1HG       PRO  48   1.971   8.719  -3.244
  334   2HG   PRO  48          2HG       PRO  48   3.351   8.323  -4.273
  335   1HD   PRO  48          2HD       PRO  48   3.512   8.679  -1.562
  336   2HD   PRO  48          1HD       PRO  48   4.870   8.935  -2.675
  337    HA   PRO  49           HA       PRO  49  -0.110  13.081  -0.992
  338   1HB   PRO  49          2HB       PRO  49  -0.449  15.670  -1.810
  339   2HB   PRO  49          1HB       PRO  49   0.729  15.197  -0.572
  340   1HG   PRO  49          2HG       PRO  49   1.146  15.830  -3.450
  341   2HG   PRO  49          1HG       PRO  49   2.166  16.203  -2.055
  342   1HD   PRO  49          2HD       PRO  49   2.644  14.152  -3.819
  343   2HD   PRO  49          1HD       PRO  49   3.224  14.180  -2.140
  344    H    TYR  50           H        TYR  50  -1.751  11.892  -2.020
  345    HA   TYR  50           HA       TYR  50  -2.529  11.931  -4.715
  346   1HB   TYR  50          2HB       TYR  50  -3.293  10.638  -2.482
  347   2HB   TYR  50          1HB       TYR  50  -4.637  11.772  -2.606
  348    HD1  TYR  50           1HD      TYR  50  -4.756  12.041  -5.619
  349    HD2  TYR  50           2HD      TYR  50  -4.342   8.590  -3.094
  350    HE1  TYR  50           1HE      TYR  50  -5.782  10.628  -7.379
  351    HE2  TYR  50           2HE      TYR  50  -5.368   7.179  -4.854
  352    HH   TYR  50           HH       TYR  50  -5.518   7.749  -7.811
  Start of MODEL    2
    1    H    PHE   5           H        PHE   5  -5.117 -16.177  13.608
    2    HA   PHE   5           HA       PHE   5  -5.286 -16.804  16.540
    3   1HB   PHE   5          2HB       PHE   5  -4.386 -18.432  14.598
    4   2HB   PHE   5          1HB       PHE   5  -2.905 -17.523  14.892
    5    HD1  PHE   5           1HD      PHE   5  -2.567 -17.058  17.588
    6    HD2  PHE   5           2HD      PHE   5  -4.566 -20.412  15.799
    7    HE1  PHE   5           1HE      PHE   5  -2.151 -18.398  19.633
    8    HE2  PHE   5           2HE      PHE   5  -4.149 -21.752  17.844
    9    HZ   PHE   5           HZ       PHE   5  -2.942 -20.745  19.761
   10    H    GLU   6           H        GLU   6  -2.841 -15.622  14.193
   11    HA   GLU   6           HA       GLU   6  -2.340 -13.292  16.001
   12   1HB   GLU   6          2HB       GLU   6   0.096 -13.764  15.745
   13   2HB   GLU   6          1HB       GLU   6  -0.754 -15.090  16.542
   14   1HG   GLU   6          2HG       GLU   6  -0.186 -16.519  14.895
   15   2HG   GLU   6          1HG       GLU   6  -0.825 -15.428  13.666
   16    H    ILE   7           H        ILE   7  -3.648 -12.357  14.094
   17    HA   ILE   7           HA       ILE   7  -3.700 -11.103  12.091
   18    HB   ILE   7           HB       ILE   7  -0.733 -11.077  12.737
   19   1HG1  ILE   7          2HG1      ILE   7  -2.980  -9.189  13.514
   20   2HG1  ILE   7          1HG1      ILE   7  -2.161 -10.311  14.602
   21   1HG2  ILE   7          1HG2      ILE   7  -0.778  -8.910  11.491
   22   2HG2  ILE   7          2HG2      ILE   7  -2.447  -9.246  11.031
   23   3HG2  ILE   7          3HG2      ILE   7  -1.149 -10.295  10.463
   24   1HD1  ILE   7          1HD1      ILE   7  -0.005  -9.042  13.618
   25   2HD1  ILE   7          2HD1      ILE   7  -0.883  -8.446  15.028
   26   3HD1  ILE   7          3HD1      ILE   7  -1.188  -7.747  13.437
   27    HA   PRO   8           HA       PRO   8  -2.532 -14.665   9.483
   28   1HB   PRO   8          2HB       PRO   8  -4.636 -14.396   7.753
   29   2HB   PRO   8          1HB       PRO   8  -4.758 -15.259   9.297
   30   1HG   PRO   8          1HG       PRO   8  -5.623 -12.497   8.588
   31   2HG   PRO   8          2HG       PRO   8  -6.423 -13.699   9.610
   32   1HD   PRO   8          1HD       PRO   8  -4.994 -11.590  10.593
   33   2HD   PRO   8          2HD       PRO   8  -5.191 -13.129  11.458
   34    H    ASP   9           H        ASP   9  -2.304 -14.669   6.948
   35    HA   ASP   9           HA       ASP   9  -1.659 -11.919   5.952
   36   1HB   ASP   9          2HB       ASP   9   0.231 -13.523   6.934
   37   2HB   ASP   9          1HB       ASP   9   0.120 -14.246   5.329
   38    H    ASP  10           H        ASP  10  -3.869 -12.538   4.902
   39    HA   ASP  10           HA       ASP  10  -3.631 -14.482   2.674
   40   1HB   ASP  10          1HB       ASP  10  -5.726 -13.137   4.252
   41   2HB   ASP  10          2HB       ASP  10  -6.112 -13.285   2.537
   42    H    VAL  11           H        VAL  11  -5.342 -11.375   2.592
   43    HA   VAL  11           HA       VAL  11  -4.063 -10.789  -0.021
   44    HB   VAL  11           HB       VAL  11  -6.333  -9.455   1.490
   45   1HG1  VAL  11          1HG2      VAL  11  -5.643  -9.373  -1.459
   46   2HG1  VAL  11          2HG2      VAL  11  -5.184  -8.113  -0.312
   47   3HG1  VAL  11          3HG2      VAL  11  -6.888  -8.438  -0.630
   48   1HG2  VAL  11          1HG1      VAL  11  -7.827 -10.801   0.156
   49   2HG2  VAL  11          2HG1      VAL  11  -6.675 -11.895   0.921
   50   3HG2  VAL  11          3HG1      VAL  11  -6.483 -11.460  -0.777
   51    HA   PRO  12           HA       PRO  12  -1.428  -7.780   1.888
   52   1HB   PRO  12          1HB       PRO  12  -0.734  -6.356  -0.344
   53   2HB   PRO  12          2HB       PRO  12  -0.069  -7.958   0.026
   54   1HG   PRO  12          1HG       PRO  12  -2.228  -7.187  -1.874
   55   2HG   PRO  12          2HG       PRO  12  -0.965  -8.415  -2.041
   56   1HD   PRO  12          2HD       PRO  12  -3.571  -8.967  -1.387
   57   2HD   PRO  12          1HD       PRO  12  -2.195  -9.999  -0.944
   58    H    LEU  13           H        LEU  13  -3.553  -6.426  -0.670
   59    HA   LEU  13           HA       LEU  13  -4.327  -4.263   1.260
   60   1HB   LEU  13          2HB       LEU  13  -3.614  -4.138  -1.686
   61   2HB   LEU  13          1HB       LEU  13  -4.360  -2.798  -0.815
   62    HG   LEU  13           HG       LEU  13  -2.279  -3.491   0.856
   63   1HD1  LEU  13          1HD1      LEU  13  -1.701  -4.766  -1.563
   64   2HD1  LEU  13          2HD1      LEU  13  -0.555  -4.418  -0.270
   65   3HD1  LEU  13          3HD1      LEU  13  -0.740  -3.288  -1.611
   66   1HD2  LEU  13          1HD2      LEU  13  -2.865  -1.212   0.268
   67   2HD2  LEU  13          2HD2      LEU  13  -2.372  -1.474  -1.405
   68   3HD2  LEU  13          3HD2      LEU  13  -1.162  -1.460  -0.122
   69    HA   PRO  14           HA       PRO  14  -8.409  -5.593   0.216
   70   1HB   PRO  14          2HB       PRO  14  -9.812  -3.379   1.007
   71   2HB   PRO  14          1HB       PRO  14  -9.127  -4.553   2.146
   72   1HG   PRO  14          1HG       PRO  14  -8.103  -1.882   1.324
   73   2HG   PRO  14          2HG       PRO  14  -8.082  -2.654   2.914
   74   1HD   PRO  14          2HD       PRO  14  -5.911  -2.526   1.253
   75   2HD   PRO  14          1HD       PRO  14  -6.150  -3.797   2.468
   76    H    ALA  15           H        ALA  15 -10.499  -4.076  -0.748
   77    HA   ALA  15           HA       ALA  15  -9.749  -3.651  -3.519
   78   1HB   ALA  15          1HB       ALA  15 -12.001  -3.837  -3.777
   79   2HB   ALA  15          2HB       ALA  15 -12.323  -2.584  -2.579
   80   3HB   ALA  15          3HB       ALA  15 -12.021  -4.242  -2.060
   81    H    GLY  16           H        GLY  16 -10.408  -1.548  -4.648
   82   1HA   GLY  16          1HA       GLY  16 -10.213   0.775  -4.907
   83   2HA   GLY  16          2HA       GLY  16 -10.542   0.920  -3.182
   84    H    TRP  17           H        TRP  17  -7.913  -1.162  -3.798
   85    HA   TRP  17           HA       TRP  17  -6.014   1.029  -3.060
   86   1HB   TRP  17          1HB       TRP  17  -6.454  -1.808  -2.320
   87   2HB   TRP  17          2HB       TRP  17  -4.768  -1.303  -2.450
   88    HD1  TRP  17           HD       TRP  17  -7.859  -0.897  -0.342
   89    HE1  TRP  17           1HE      TRP  17  -7.298   0.552   1.723
   90    HE3  TRP  17           3HE      TRP  17  -3.209   0.706  -1.649
   91    HZ2  TRP  17           2HZ      TRP  17  -5.137   2.184   2.683
   92    HZ3  TRP  17           3HZ      TRP  17  -1.926   2.201  -0.162
   93    HH2  TRP  17           HH       TRP  17  -2.870   2.942   1.997
   94    H    GLU  18           H        GLU  18  -4.067   1.229  -4.245
   95    HA   GLU  18           HA       GLU  18  -3.708  -0.657  -6.550
   96   1HB   GLU  18          1HB       GLU  18  -4.357   2.184  -6.510
   97   2HB   GLU  18          2HB       GLU  18  -2.876   1.870  -7.407
   98   1HG   GLU  18          1HG       GLU  18  -4.612   1.634  -9.008
   99   2HG   GLU  18          2HG       GLU  18  -4.172  -0.016  -8.572
  100    H    MET  19           H        MET  19  -1.823  -1.659  -5.620
  101    HA   MET  19           HA       MET  19   0.321  -0.127  -4.437
  102   1HB   MET  19          1HB       MET  19   1.565  -2.253  -4.736
  103   2HB   MET  19          2HB       MET  19   0.007  -2.519  -3.982
  104   1HG   MET  19          1HG       MET  19  -0.669  -2.772  -6.611
  105   2HG   MET  19          2HG       MET  19   0.999  -3.334  -6.661
  106   1HE   MET  19          1HE       MET  19  -1.357  -3.774  -3.392
  107   2HE   MET  19          2HE       MET  19  -2.425  -4.977  -4.112
  108   3HE   MET  19          3HE       MET  19  -2.268  -3.390  -4.859
  109    H    ALA  20           H        ALA  20   1.701   1.134  -5.538
  110    HA   ALA  20           HA       ALA  20   2.588   0.382  -8.261
  111   1HB   ALA  20          1HB       ALA  20   0.788   1.661  -8.971
  112   2HB   ALA  20          2HB       ALA  20   1.933   2.972  -8.718
  113   3HB   ALA  20          3HB       ALA  20   0.737   2.598  -7.481
  114    H    LYS  21           H        LYS  21   3.783   3.149  -8.590
  115    HA   LYS  21           HA       LYS  21   5.610   3.106  -6.234
  116   1HB   LYS  21          1HB       LYS  21   6.152   2.786  -9.150
  117   2HB   LYS  21          2HB       LYS  21   7.348   3.660  -8.191
  118   1HG   LYS  21          2HG       LYS  21   7.543   1.770  -6.652
  119   2HG   LYS  21          1HG       LYS  21   6.276   0.903  -7.518
  120   1HD   LYS  21          2HD       LYS  21   7.929   1.418  -9.583
  121   2HD   LYS  21          1HD       LYS  21   9.116   1.370  -8.279
  122   1HE   LYS  21          1HE       LYS  21   8.263  -0.861  -7.594
  123   2HE   LYS  21          2HE       LYS  21   7.098  -0.814  -8.932
  124   1HZ   LYS  21          1HZ       LYS  21   9.081  -1.937  -9.670
  125   2HZ   LYS  21          2HZ       LYS  21  10.064  -0.658  -9.138
  126   3HZ   LYS  21          3HZ       LYS  21   9.003  -0.429 -10.444
  127    H    THR  22           H        THR  22   6.782   5.041  -5.832
  128    HA   THR  22           HA       THR  22   5.811   7.490  -7.247
  129    HB   THR  22           HB       THR  22   4.326   7.053  -5.328
  130    HG1  THR  22           1HG      THR  22   4.392   9.126  -5.175
  131   1HG2  THR  22          1HG2      THR  22   6.287   5.801  -4.114
  132   2HG2  THR  22          2HG2      THR  22   5.098   6.673  -3.148
  133   3HG2  THR  22          3HG2      THR  22   6.667   7.403  -3.484
  134    H    SER  23           H        SER  23   6.965   9.313  -5.468
  135    HA   SER  23           HA       SER  23   9.043  10.402  -5.172
  136   1HB   SER  23          1HB       SER  23   9.117   7.665  -4.021
  137   2HB   SER  23          2HB       SER  23  10.670   8.492  -4.142
  138    HG   SER  23           HG       SER  23   9.842   9.138  -2.235
  139    H    SER  24           H        SER  24  10.747   7.377  -5.772
  140    HA   SER  24           HA       SER  24  11.364   8.122  -8.562
  141   1HB   SER  24          1HB       SER  24  12.835   9.454  -6.999
  142   2HB   SER  24          2HB       SER  24  13.505   7.924  -6.430
  143    HG   SER  24           HG       SER  24  14.227   7.502  -8.506
  144    H    GLY  25           H        GLY  25  12.108   6.007  -5.822
  145   1HA   GLY  25          2HA       GLY  25  11.877   3.660  -7.603
  146   2HA   GLY  25          1HA       GLY  25  13.422   3.870  -6.777
  147    H    GLN  26           H        GLN  26   9.915   3.713  -6.094
  148    HA   GLN  26           HA       GLN  26  10.378   1.842  -3.889
  149   1HB   GLN  26          1HB       GLN  26  10.697   4.535  -3.369
  150   2HB   GLN  26          2HB       GLN  26   9.016   4.260  -2.914
  151   1HG   GLN  26          1HG       GLN  26   9.628   3.139  -1.055
  152   2HG   GLN  26          2HG       GLN  26  10.711   2.095  -1.977
  153   1HE2  GLN  26          1HE2      GLN  26  11.029   3.727   0.673
  154   2HE2  GLN  26          2HE2      GLN  26  12.498   4.547   0.447
  155    H    ARG  27           H        ARG  27   8.546   0.580  -3.703
  156    HA   ARG  27           HA       ARG  27   6.211   1.210  -5.343
  157   1HB   ARG  27          1HB       ARG  27   7.357  -1.073  -3.990
  158   2HB   ARG  27          2HB       ARG  27   5.660  -0.928  -3.566
  159   1HG   ARG  27          1HG       ARG  27   5.578  -0.393  -6.241
  160   2HG   ARG  27          2HG       ARG  27   6.885  -1.578  -6.165
  161   1HD   ARG  27          2HD       ARG  27   5.074  -2.754  -4.503
  162   2HD   ARG  27          1HD       ARG  27   3.988  -1.938  -5.643
  163    HE   ARG  27           HE       ARG  27   4.728  -3.459  -7.289
  164   1HH1  ARG  27          1HH2      ARG  27   7.084  -3.184  -4.742
  165   2HH1  ARG  27          2HH2      ARG  27   8.125  -4.386  -5.425
  166   1HH2  ARG  27          1HH1      ARG  27   6.094  -5.014  -8.157
  167   2HH2  ARG  27          2HH1      ARG  27   7.571  -5.415  -7.344
  168    H    TYR  28           H        TYR  28   4.682   2.579  -4.641
  169    HA   TYR  28           HA       TYR  28   4.102   2.631  -1.716
  170   1HB   TYR  28          1HB       TYR  28   3.558   4.902  -1.913
  171   2HB   TYR  28          2HB       TYR  28   4.896   4.737  -3.036
  172    HD1  TYR  28           1HD      TYR  28   3.045   3.241  -5.187
  173    HD2  TYR  28           2HD      TYR  28   2.733   6.917  -2.994
  174    HE1  TYR  28           1HE      TYR  28   1.715   4.211  -7.012
  175    HE2  TYR  28           2HE      TYR  28   1.382   7.876  -4.824
  176    HH   TYR  28           HH       TYR  28   1.255   6.607  -7.867
  177    H    PHE  29           H        PHE  29   1.718   3.186  -1.343
  178    HA   PHE  29           HA       PHE  29   0.130   1.514  -3.234
  179   1HB   PHE  29          2HB       PHE  29   0.201   1.638  -0.204
  180   2HB   PHE  29          1HB       PHE  29  -1.006   0.724  -1.122
  181    HD1  PHE  29           1HD      PHE  29  -0.482  -1.360  -2.083
  182    HD2  PHE  29           2HD      PHE  29   2.717   1.136  -0.678
  183    HE1  PHE  29           1HE      PHE  29   1.135  -3.181  -2.545
  184    HE2  PHE  29           2HE      PHE  29   4.329  -0.690  -1.136
  185    HZ   PHE  29           HZ       PHE  29   3.540  -2.846  -2.071
  186    H    LEU  30           H        LEU  30  -0.990   2.938  -4.323
  187    HA   LEU  30           HA       LEU  30  -1.973   5.449  -3.250
  188   1HB   LEU  30          1HB       LEU  30  -1.287   4.355  -5.670
  189   2HB   LEU  30          2HB       LEU  30  -3.034   4.313  -5.771
  190    HG   LEU  30           HG       LEU  30  -3.191   6.695  -5.438
  191   1HD1  LEU  30          1HD2      LEU  30  -0.588   6.343  -4.243
  192   2HD1  LEU  30          2HD2      LEU  30  -1.655   7.744  -4.184
  193   3HD1  LEU  30          3HD2      LEU  30  -0.502   7.573  -5.504
  194   1HD2  LEU  30          1HD1      LEU  30  -2.803   6.351  -7.703
  195   2HD2  LEU  30          2HD1      LEU  30  -1.201   5.665  -7.424
  196   3HD2  LEU  30          3HD1      LEU  30  -1.449   7.407  -7.298
  197    H    ASN  31           H        ASN  31  -3.643   5.438  -1.842
  198    HA   ASN  31           HA       ASN  31  -5.722   3.341  -1.935
  199   1HB   ASN  31          1HB       ASN  31  -4.649   4.127   0.171
  200   2HB   ASN  31          2HB       ASN  31  -5.282   5.745  -0.130
  201   1HD2  ASN  31          1HD2      ASN  31  -5.911   3.940   2.141
  202   2HD2  ASN  31          2HD2      ASN  31  -7.579   3.670   2.078
  203    H    HIS  32           H        HIS  32  -7.278   3.709  -3.483
  204    HA   HIS  32           HA       HIS  32  -8.070   6.418  -4.284
  205   1HB   HIS  32          1HB       HIS  32  -8.732   3.577  -5.012
  206   2HB   HIS  32          2HB       HIS  32  -9.765   4.884  -5.590
  207    HD1  HIS  32           1HD      HIS  32  -8.937   6.207  -7.567
  208    HD2  HIS  32           2HD      HIS  32  -5.918   3.898  -5.856
  209    HE1  HIS  32           1HE      HIS  32  -6.927   6.409  -9.095
  210    H    ILE  33           H        ILE  33  -8.928   4.398  -1.704
  211    HA   ILE  33           HA       ILE  33 -11.783   5.178  -1.630
  212    HB   ILE  33           HB       ILE  33 -10.454   3.998   0.768
  213   1HG1  ILE  33          2HG1      ILE  33 -10.622   2.524  -1.878
  214   2HG1  ILE  33          1HG1      ILE  33  -9.209   2.731  -0.849
  215   1HG2  ILE  33          1HG2      ILE  33 -12.931   3.289  -0.833
  216   2HG2  ILE  33          2HG2      ILE  33 -12.890   4.337   0.585
  217   3HG2  ILE  33          3HG2      ILE  33 -12.500   2.624   0.742
  218   1HD1  ILE  33          1HD1      ILE  33 -11.088   1.523   0.826
  219   2HD1  ILE  33          2HD1      ILE  33  -9.706   0.733   0.066
  220   3HD1  ILE  33          3HD1      ILE  33 -11.287   0.692  -0.719
  221    H    ASP  34           H        ASP  34  -9.031   5.461   0.598
  222    HA   ASP  34           HA       ASP  34 -10.221   7.880   1.827
  223   1HB   ASP  34          1HB       ASP  34  -8.488   5.734   2.559
  224   2HB   ASP  34          2HB       ASP  34  -7.584   7.235   2.756
  225    H    GLN  35           H        GLN  35  -8.579   7.441  -0.971
  226    HA   GLN  35           HA       GLN  35  -7.137   8.778  -2.276
  227   1HB   GLN  35          1HB       GLN  35  -8.258  10.858  -0.369
  228   2HB   GLN  35          2HB       GLN  35  -7.594  11.171  -1.972
  229   1HG   GLN  35          1HG       GLN  35  -9.361   9.698  -2.947
  230   2HG   GLN  35          2HG       GLN  35 -10.057   9.517  -1.336
  231   1HE2  GLN  35          1HE2      GLN  35 -10.568  11.737  -0.221
  232   2HE2  GLN  35          2HE2      GLN  35 -11.202  12.954  -1.221
  233    H    THR  36           H        THR  36  -5.300   7.600  -1.068
  234    HA   THR  36           HA       THR  36  -3.474   9.641   0.043
  235    HB   THR  36           HB       THR  36  -3.203   7.967   2.084
  236    HG1  THR  36           1HG      THR  36  -5.933   7.647   1.427
  237   1HG2  THR  36          1HG2      THR  36  -5.711   9.551   2.270
  238   2HG2  THR  36          2HG2      THR  36  -4.254  10.427   1.798
  239   3HG2  THR  36          3HG2      THR  36  -4.301   9.548   3.327
  240    H    THR  37           H        THR  37  -1.310   8.514   0.662
  241    HA   THR  37           HA       THR  37  -0.854   6.102  -1.065
  242    HB   THR  37           HB       THR  37   1.148   7.130  -1.915
  243    HG1  THR  37           1HG      THR  37   0.664   9.365  -0.262
  244   1HG2  THR  37          1HG2      THR  37  -1.368   8.243  -2.345
  245   2HG2  THR  37          2HG2      THR  37   0.068   8.497  -3.337
  246   3HG2  THR  37          3HG2      THR  37  -0.329   9.636  -2.051
  247    H    THR  38           H        THR  38  -0.103   4.482   0.251
  248    HA   THR  38           HA       THR  38   1.663   5.272   2.551
  249    HB   THR  38           HB       THR  38  -0.627   4.378   3.119
  250    HG1  THR  38           1HG      THR  38   0.325   3.583   4.790
  251   1HG2  THR  38          1HG2      THR  38  -1.222   2.125   2.612
  252   2HG2  THR  38          2HG2      THR  38   0.402   1.751   2.038
  253   3HG2  THR  38          3HG2      THR  38  -0.639   2.818   1.101
  254    H    TRP  39           H        TRP  39   3.715   4.414   2.407
  255    HA   TRP  39           HA       TRP  39   4.590   2.920   0.136
  256   1HB   TRP  39          1HB       TRP  39   5.898   2.929   2.871
  257   2HB   TRP  39          2HB       TRP  39   6.689   2.797   1.306
  258    HD1  TRP  39           HD       TRP  39   5.393   5.286   3.801
  259    HE1  TRP  39           1HE      TRP  39   5.953   7.679   3.017
  260    HE3  TRP  39           3HE      TRP  39   6.980   4.335  -0.984
  261    HZ2  TRP  39           2HZ      TRP  39   6.945   8.999   0.706
  262    HZ3  TRP  39           3HZ      TRP  39   7.739   6.181  -2.427
  263    HH2  TRP  39           HH       TRP  39   7.720   8.514  -1.597
  264    H    GLN  40           H        GLN  40   3.898   1.843   3.479
  265    HA   GLN  40           HA       GLN  40   4.140  -0.990   2.613
  266   1HB   GLN  40          1HB       GLN  40   3.809   0.438   5.267
  267   2HB   GLN  40          2HB       GLN  40   3.860  -1.318   5.119
  268   1HG   GLN  40          2HG       GLN  40   6.110  -1.146   5.238
  269   2HG   GLN  40          1HG       GLN  40   6.051  -0.443   3.621
  270   1HE2  GLN  40          1HE2      GLN  40   5.253   0.768   6.939
  271   2HE2  GLN  40          2HE2      GLN  40   6.132   2.211   6.777
  272    H    ASP  41           H        ASP  41   2.366  -2.454   2.813
  273    HA   ASP  41           HA       ASP  41  -0.209  -1.584   2.099
  274   1HB   ASP  41          2HB       ASP  41  -0.867  -3.865   2.769
  275   2HB   ASP  41          1HB       ASP  41   0.696  -3.893   1.955
  276    HA   PRO  42           HA       PRO  42  -2.026  -0.066   5.806
  277   1HB   PRO  42          1HB       PRO  42  -4.616  -0.924   5.573
  278   2HB   PRO  42          2HB       PRO  42  -3.941   0.394   4.596
  279   1HG   PRO  42          2HG       PRO  42  -4.399  -2.462   3.881
  280   2HG   PRO  42          1HG       PRO  42  -4.626  -1.007   2.902
  281   1HD   PRO  42          1HD       PRO  42  -2.467  -2.668   2.679
  282   2HD   PRO  42          2HD       PRO  42  -2.423  -0.938   2.276
  283    H    ARG  43           H        ARG  43  -2.214  -3.482   5.091
  284    HA   ARG  43           HA       ARG  43  -3.144  -4.222   7.790
  285   1HB   ARG  43          1HB       ARG  43  -3.367  -5.316   5.317
  286   2HB   ARG  43          2HB       ARG  43  -1.968  -6.207   5.916
  287   1HG   ARG  43          2HG       ARG  43  -3.170  -7.204   7.638
  288   2HG   ARG  43          1HG       ARG  43  -4.359  -5.901   7.700
  289   1HD   ARG  43          1HD       ARG  43  -5.017  -6.710   5.299
  290   2HD   ARG  43          2HD       ARG  43  -4.187  -8.207   5.763
  291    HE   ARG  43           HE       ARG  43  -5.914  -7.347   7.895
  292   1HH1  ARG  43          1HH2      ARG  43  -5.972  -8.764   4.716
  293   2HH1  ARG  43          2HH2      ARG  43  -7.457  -9.604   4.997
  294   1HH2  ARG  43          1HH1      ARG  43  -7.842  -8.447   8.236
  295   2HH2  ARG  43          2HH1      ARG  43  -8.508  -9.427   6.974
  296    H    LYS  44           H        LYS  44  -1.717  -6.055   8.857
  297    HA   LYS  44           HA       LYS  44   1.058  -4.974   9.064
  298   1HB   LYS  44          2HB       LYS  44  -0.748  -5.358  10.968
  299   2HB   LYS  44          1HB       LYS  44  -0.153  -7.016  10.900
  300   1HG   LYS  44          1HG       LYS  44   1.720  -6.447  12.015
  301   2HG   LYS  44          2HG       LYS  44   2.064  -5.156  10.865
  302   1HD   LYS  44          1HD       LYS  44   1.026  -3.547  12.152
  303   2HD   LYS  44          2HD       LYS  44  -0.125  -4.691  12.842
  304   1HE   LYS  44          2HE       LYS  44   1.189  -4.736  14.695
  305   2HE   LYS  44          1HE       LYS  44   2.417  -5.562  13.717
  306   1HZ   LYS  44          1HZ       LYS  44   3.375  -3.545  14.540
  307   2HZ   LYS  44          2HZ       LYS  44   2.037  -2.630  14.036
  308   3HZ   LYS  44          3HZ       LYS  44   3.078  -3.323  12.885
  309   1H    ACE  45          1H        ACE  45   8.691  13.477   5.978
  310   2H    ACE  45          2H        ACE  45   9.691  12.123   6.504
  311   3H    ACE  45          3H        ACE  45   8.099  12.374   7.221
  312    HA   PRO  46           HA       PRO  46   8.775  11.739   2.530
  313   1HB   PRO  46          2HB       PRO  46   9.308   9.166   1.773
  314   2HB   PRO  46          1HB       PRO  46  10.579  10.331   2.196
  315   1HG   PRO  46          2HG       PRO  46   9.419   8.126   3.813
  316   2HG   PRO  46          1HG       PRO  46  11.090   8.701   3.719
  317   1HD   PRO  46          2HD       PRO  46   9.383   9.311   5.764
  318   2HD   PRO  46          1HD       PRO  46  10.756  10.330   5.279
  319    H    LEU  47           H        LEU  47   6.765  11.766   1.600
  320    HA   LEU  47           HA       LEU  47   5.094   9.421   1.360
  321   1HB   LEU  47          2HB       LEU  47   4.942  10.034   3.811
  322   2HB   LEU  47          1HB       LEU  47   4.198  11.553   3.324
  323    HG   LEU  47           HG       LEU  47   2.570   9.726   3.983
  324   1HD1  LEU  47          1HD2      LEU  47   2.328  11.683   2.130
  325   2HD1  LEU  47          2HD2      LEU  47   1.010  10.593   2.560
  326   3HD1  LEU  47          3HD2      LEU  47   1.987  10.272   1.128
  327   1HD2  LEU  47          1HD1      LEU  47   2.486   7.728   2.907
  328   2HD2  LEU  47          2HD1      LEU  47   4.142   8.108   2.439
  329   3HD2  LEU  47          3HD1      LEU  47   2.814   8.455   1.334
  330    HA   PRO  48           HA       PRO  48   4.039  12.534  -1.749
  331   1HB   PRO  48          2HB       PRO  48   2.719  10.810  -3.421
  332   2HB   PRO  48          1HB       PRO  48   4.485  10.964  -3.382
  333   1HG   PRO  48          2HG       PRO  48   2.726   8.917  -2.110
  334   2HG   PRO  48          1HG       PRO  48   4.276   8.709  -2.938
  335   1HD   PRO  48          2HD       PRO  48   4.037   8.730  -0.234
  336   2HD   PRO  48          1HD       PRO  48   5.492   9.302  -1.080
  337    HA   PRO  49           HA       PRO  49  -0.044  12.931   0.159
  338   1HB   PRO  49          1HB       PRO  49  -0.448  15.535  -0.585
  339   2HB   PRO  49          2HB       PRO  49   0.536  15.070   0.814
  340   1HG   PRO  49          1HG       PRO  49   1.390  15.860  -1.932
  341   2HG   PRO  49          2HG       PRO  49   2.103  16.279  -0.368
  342   1HD   PRO  49          2HD       PRO  49   3.120  14.360  -2.010
  343   2HD   PRO  49          1HD       PRO  49   3.288  14.315  -0.244
  344    H    TYR  50           H        TYR  50  -1.530  11.806  -1.075
  345    HA   TYR  50           HA       TYR  50  -1.851  11.824  -3.868
  346   1HB   TYR  50          2HB       TYR  50  -2.872  10.396  -1.925
  347   2HB   TYR  50          1HB       TYR  50  -4.170  11.589  -1.958
  348    HD1  TYR  50           1HD      TYR  50  -2.098  10.037  -4.674
  349    HD2  TYR  50           2HD      TYR  50  -6.023  10.673  -3.047
  350    HE1  TYR  50           1HE      TYR  50  -3.099   8.899  -6.639
  351    HE2  TYR  50           2HE      TYR  50  -7.022   9.536  -5.011
  352    HH   TYR  50           HH       TYR  50  -5.596   9.097  -7.800
  Start of MODEL    3
    1    H    PHE   5           H        PHE   5   1.937 -18.934  11.585
    2    HA   PHE   5           HA       PHE   5   4.429 -17.529  11.676
    3   1HB   PHE   5          2HB       PHE   5   3.389 -20.262  11.509
    4   2HB   PHE   5          1HB       PHE   5   4.933 -20.075  10.678
    5    HD1  PHE   5           1HD      PHE   5   6.626 -18.432  12.060
    6    HD2  PHE   5           2HD      PHE   5   3.519 -20.869  13.748
    7    HE1  PHE   5           1HE      PHE   5   7.802 -18.417  14.243
    8    HE2  PHE   5           2HE      PHE   5   4.694 -20.853  15.932
    9    HZ   PHE   5           HZ       PHE   5   6.835 -19.627  16.180
   10    H    GLU   6           H        GLU   6   3.717 -19.822   9.060
   11    HA   GLU   6           HA       GLU   6   4.867 -17.843   7.126
   12   1HB   GLU   6          2HB       GLU   6   4.701 -20.872   7.169
   13   2HB   GLU   6          1HB       GLU   6   5.366 -19.944   5.826
   14   1HG   GLU   6          2HG       GLU   6   6.373 -19.635   8.661
   15   2HG   GLU   6          1HG       GLU   6   7.058 -20.811   7.540
   16    H    ILE   7           H        ILE   7   2.189 -17.428   7.692
   17    HA   ILE   7           HA       ILE   7   0.232 -18.871   6.277
   18    HB   ILE   7           HB       ILE   7  -0.969 -16.690   6.299
   19   1HG1  ILE   7          2HG1      ILE   7   0.933 -15.074   7.656
   20   2HG1  ILE   7          1HG1      ILE   7   1.737 -15.707   6.220
   21   1HG2  ILE   7          1HG2      ILE   7  -1.072 -16.512   8.646
   22   2HG2  ILE   7          2HG2      ILE   7   0.641 -16.884   8.841
   23   3HG2  ILE   7          3HG2      ILE   7  -0.494 -18.158   8.392
   24   1HD1  ILE   7          1HD1      ILE   7  -1.027 -14.815   5.737
   25   2HD1  ILE   7          2HD1      ILE   7   0.439 -14.482   4.815
   26   3HD1  ILE   7          3HD1      ILE   7   0.061 -13.523   6.246
   27    HA   PRO   8           HA       PRO   8   1.170 -18.178   2.029
   28   1HB   PRO   8          1HB       PRO   8  -1.336 -18.179   0.928
   29   2HB   PRO   8          2HB       PRO   8  -0.534 -19.651   1.504
   30   1HG   PRO   8          2HG       PRO   8  -2.625 -17.985   2.820
   31   2HG   PRO   8          1HG       PRO   8  -2.445 -19.744   2.785
   32   1HD   PRO   8          1HD       PRO   8  -1.731 -18.190   4.916
   33   2HD   PRO   8          2HD       PRO   8  -0.968 -19.750   4.540
   34    H    ASP   9           H        ASP   9  -0.145 -16.725   0.110
   35    HA   ASP   9           HA       ASP   9  -0.286 -13.964   1.283
   36   1HB   ASP   9          2HB       ASP   9   1.711 -14.727  -0.173
   37   2HB   ASP   9          1HB       ASP   9   0.573 -14.696  -1.521
   38    H    ASP  10           H        ASP  10  -2.701 -14.869   1.372
   39    HA   ASP  10           HA       ASP  10  -4.298 -15.247  -0.913
   40   1HB   ASP  10          2HB       ASP  10  -5.060 -15.571   1.381
   41   2HB   ASP  10          1HB       ASP  10  -4.864 -13.854   1.725
   42    H    VAL  11           H        VAL  11  -4.458 -12.160   0.870
   43    HA   VAL  11           HA       VAL  11  -4.174 -10.699  -1.722
   44    HB   VAL  11           HB       VAL  11  -6.550 -11.063  -1.292
   45   1HG1  VAL  11          1HG1      VAL  11  -7.591 -10.320   0.798
   46   2HG1  VAL  11          2HG1      VAL  11  -6.032  -9.757   1.397
   47   3HG1  VAL  11          3HG1      VAL  11  -6.311 -11.481   1.151
   48   1HG2  VAL  11          1HG2      VAL  11  -7.305  -8.758  -1.255
   49   2HG2  VAL  11          2HG2      VAL  11  -5.773  -8.820  -2.128
   50   3HG2  VAL  11          3HG2      VAL  11  -5.817  -8.241  -0.464
   51    HA   PRO  12           HA       PRO  12  -1.615  -8.271   0.996
   52   1HB   PRO  12          2HB       PRO  12  -1.027  -6.250  -0.758
   53   2HB   PRO  12          1HB       PRO  12  -0.254  -7.844  -0.814
   54   1HG   PRO  12          2HG       PRO  12  -2.432  -6.729  -2.503
   55   2HG   PRO  12          1HG       PRO  12  -1.113  -7.821  -2.936
   56   1HD   PRO  12          2HD       PRO  12  -3.714  -8.608  -2.488
   57   2HD   PRO  12          1HD       PRO  12  -2.302  -9.674  -2.351
   58    H    LEU  13           H        LEU  13  -2.970  -5.681  -0.997
   59    HA   LEU  13           HA       LEU  13  -4.102  -4.437   1.439
   60   1HB   LEU  13          2HB       LEU  13  -3.633  -3.579  -1.431
   61   2HB   LEU  13          1HB       LEU  13  -4.412  -2.537  -0.238
   62    HG   LEU  13           HG       LEU  13  -2.322  -3.081   1.234
   63   1HD1  LEU  13          1HD2      LEU  13  -1.656  -4.293  -1.361
   64   2HD1  LEU  13          2HD2      LEU  13  -0.932  -4.564   0.224
   65   3HD1  LEU  13          3HD2      LEU  13  -0.417  -3.193  -0.759
   66   1HD2  LEU  13          1HD1      LEU  13  -2.400  -1.266  -1.173
   67   2HD2  LEU  13          2HD1      LEU  13  -1.017  -1.273  -0.081
   68   3HD2  LEU  13          3HD1      LEU  13  -2.616  -0.846   0.525
   69    HA   PRO  14           HA       PRO  14  -8.262  -5.493   0.482
   70   1HB   PRO  14          2HB       PRO  14  -9.624  -3.262   1.296
   71   2HB   PRO  14          1HB       PRO  14  -8.910  -4.430   2.422
   72   1HG   PRO  14          1HG       PRO  14  -7.899  -1.772   1.546
   73   2HG   PRO  14          2HG       PRO  14  -7.827  -2.536   3.140
   74   1HD   PRO  14          2HD       PRO  14  -5.715  -2.429   1.400
   75   2HD   PRO  14          1HD       PRO  14  -5.915  -3.688   2.636
   76    H    ALA  15           H        ALA  15 -10.375  -3.950  -0.418
   77    HA   ALA  15           HA       ALA  15  -9.725  -3.581  -3.222
   78   1HB   ALA  15          1HB       ALA  15 -12.117  -3.241  -1.426
   79   2HB   ALA  15          2HB       ALA  15 -11.875  -4.394  -2.739
   80   3HB   ALA  15          3HB       ALA  15 -12.189  -2.696  -3.102
   81    H    GLY  16           H        GLY  16 -10.439  -1.483  -4.350
   82   1HA   GLY  16          1HA       GLY  16 -10.201   0.829  -4.664
   83   2HA   GLY  16          2HA       GLY  16 -10.484   1.008  -2.934
   84    H    TRP  17           H        TRP  17  -7.890  -1.108  -3.646
   85    HA   TRP  17           HA       TRP  17  -5.946   1.069  -2.976
   86   1HB   TRP  17          1HB       TRP  17  -6.393  -1.756  -2.173
   87   2HB   TRP  17          2HB       TRP  17  -4.710  -1.250  -2.332
   88    HD1  TRP  17           HD       TRP  17  -7.781  -0.799  -0.199
   89    HE1  TRP  17           1HE      TRP  17  -7.192   0.676   1.840
   90    HE3  TRP  17           3HE      TRP  17  -3.131   0.751  -1.570
   91    HZ2  TRP  17           2HZ      TRP  17  -5.009   2.302   2.759
   92    HZ3  TRP  17           3HZ      TRP  17  -1.824   2.257  -0.114
   93    HH2  TRP  17           HH       TRP  17  -2.742   3.033   2.042
   94    H    GLU  18           H        GLU  18  -4.061   1.247  -4.247
   95    HA   GLU  18           HA       GLU  18  -3.784  -0.713  -6.504
   96   1HB   GLU  18          1HB       GLU  18  -4.388   2.136  -6.510
   97   2HB   GLU  18          2HB       GLU  18  -2.932   1.785  -7.433
   98   1HG   GLU  18          1HG       GLU  18  -4.651   1.509  -9.016
   99   2HG   GLU  18          2HG       GLU  18  -4.317  -0.139  -8.486
  100    H    MET  19           H        MET  19  -1.896  -1.726  -5.573
  101    HA   MET  19           HA       MET  19   0.303  -0.223  -4.477
  102   1HB   MET  19          1HB       MET  19   1.508  -2.369  -4.794
  103   2HB   MET  19          2HB       MET  19  -0.041  -2.612  -4.010
  104   1HG   MET  19          1HG       MET  19  -0.801  -2.878  -6.595
  105   2HG   MET  19          2HG       MET  19   0.874  -3.398  -6.737
  106   1HE   MET  19          1HE       MET  19  -1.838  -3.253  -4.374
  107   2HE   MET  19          2HE       MET  19  -1.529  -4.593  -3.273
  108   3HE   MET  19          3HE       MET  19  -2.666  -4.800  -4.601
  109    H    ALA  20           H        ALA  20   1.701   0.996  -5.611
  110    HA   ALA  20           HA       ALA  20   2.530   0.217  -8.336
  111   1HB   ALA  20          1HB       ALA  20   0.557   2.290  -7.626
  112   2HB   ALA  20          2HB       ALA  20   0.857   1.527  -9.186
  113   3HB   ALA  20          3HB       ALA  20   1.843   2.890  -8.669
  114    H    LYS  21           H        LYS  21   3.715   2.951  -8.756
  115    HA   LYS  21           HA       LYS  21   5.600   2.933  -6.439
  116   1HB   LYS  21          1HB       LYS  21   7.391   3.364  -8.139
  117   2HB   LYS  21          2HB       LYS  21   6.582   1.814  -8.371
  118   1HG   LYS  21          2HG       LYS  21   5.319   2.618 -10.205
  119   2HG   LYS  21          1HG       LYS  21   5.638   4.304  -9.793
  120   1HD   LYS  21          2HD       LYS  21   7.966   4.082 -10.423
  121   2HD   LYS  21          1HD       LYS  21   7.785   2.341 -10.646
  122   1HE   LYS  21          1HE       LYS  21   7.602   3.143 -12.856
  123   2HE   LYS  21          2HE       LYS  21   5.900   3.062 -12.362
  124   1HZ   LYS  21          1HZ       LYS  21   6.216   5.392 -11.504
  125   2HZ   LYS  21          2HZ       LYS  21   6.252   5.239 -13.196
  126   3HZ   LYS  21          3HZ       LYS  21   7.699   5.427 -12.326
  127    H    THR  22           H        THR  22   6.789   4.929  -6.101
  128    HA   THR  22           HA       THR  22   5.278   7.318  -7.131
  129    HB   THR  22           HB       THR  22   4.585   7.099  -4.904
  130    HG1  THR  22           1HG      THR  22   5.309   9.144  -5.097
  131   1HG2  THR  22          1HG2      THR  22   6.002   6.462  -3.034
  132   2HG2  THR  22          2HG2      THR  22   7.440   6.508  -4.055
  133   3HG2  THR  22          3HG2      THR  22   6.212   5.270  -4.314
  134    H    SER  23           H        SER  23   6.651   9.388  -6.492
  135    HA   SER  23           HA       SER  23   9.076   9.296  -8.048
  136   1HB   SER  23          1HB       SER  23   7.569  11.246  -7.813
  137   2HB   SER  23          2HB       SER  23   7.991  11.361  -6.105
  138    HG   SER  23           HG       SER  23   9.545  11.894  -8.375
  139    H    SER  24           H        SER  24  10.434   7.713  -6.986
  140    HA   SER  24           HA       SER  24  12.342   8.726  -5.139
  141   1HB   SER  24          1HB       SER  24   9.843   7.922  -3.985
  142   2HB   SER  24          2HB       SER  24  11.085   6.788  -3.456
  143    HG   SER  24           HG       SER  24  12.325   8.554  -2.771
  144    H    GLY  25           H        GLY  25  10.626   5.917  -6.357
  145   1HA   GLY  25          2HA       GLY  25  11.879   4.196  -7.596
  146   2HA   GLY  25          1HA       GLY  25  13.229   4.463  -6.491
  147    H    GLN  26           H        GLN  26   9.939   4.365  -5.329
  148    HA   GLN  26           HA       GLN  26  10.397   1.617  -4.228
  149   1HB   GLN  26          1HB       GLN  26  10.966   3.455  -2.623
  150   2HB   GLN  26          2HB       GLN  26   9.313   4.049  -2.768
  151   1HG   GLN  26          1HG       GLN  26   8.939   2.684  -0.978
  152   2HG   GLN  26          2HG       GLN  26   8.848   1.426  -2.209
  153   1HE2  GLN  26          1HE2      GLN  26  10.179   1.885   0.729
  154   2HE2  GLN  26          2HE2      GLN  26  11.631   1.024   0.558
  155    H    ARG  27           H        ARG  27   8.438   0.430  -3.835
  156    HA   ARG  27           HA       ARG  27   6.188   1.229  -5.535
  157   1HB   ARG  27          1HB       ARG  27   7.202  -1.183  -4.241
  158   2HB   ARG  27          2HB       ARG  27   5.463  -1.015  -4.024
  159   1HG   ARG  27          2HG       ARG  27   5.505  -2.051  -6.097
  160   2HG   ARG  27          1HG       ARG  27   5.534  -0.352  -6.583
  161   1HD   ARG  27          1HD       ARG  27   7.302  -1.342  -7.840
  162   2HD   ARG  27          2HD       ARG  27   8.135  -0.604  -6.459
  163    HE   ARG  27           HE       ARG  27   8.640  -2.788  -5.712
  164   1HH1  ARG  27          1HH2      ARG  27   5.885  -2.836  -7.840
  165   2HH1  ARG  27          2HH2      ARG  27   5.753  -4.559  -7.807
  166   1HH2  ARG  27          1HH1      ARG  27   8.447  -5.024  -5.686
  167   2HH2  ARG  27          2HH1      ARG  27   7.191  -5.791  -6.598
  168    H    TYR  28           H        TYR  28   4.669   2.562  -4.778
  169    HA   TYR  28           HA       TYR  28   4.094   2.510  -1.851
  170   1HB   TYR  28          1HB       TYR  28   3.459   4.773  -2.027
  171   2HB   TYR  28          2HB       TYR  28   4.837   4.651  -3.107
  172    HD1  TYR  28           1HD      TYR  28   2.982   3.093  -5.283
  173    HD2  TYR  28           2HD      TYR  28   2.737   6.822  -3.169
  174    HE1  TYR  28           1HE      TYR  28   1.683   4.055  -7.132
  175    HE2  TYR  28           2HE      TYR  28   1.418   7.771  -5.023
  176    HH   TYR  28           HH       TYR  28   1.022   7.428  -7.356
  177    H    PHE  29           H        PHE  29   1.692   3.124  -1.481
  178    HA   PHE  29           HA       PHE  29   0.077   1.429  -3.323
  179   1HB   PHE  29          2HB       PHE  29   0.159   1.598  -0.294
  180   2HB   PHE  29          1HB       PHE  29  -1.044   0.667  -1.199
  181    HD1  PHE  29           1HD      PHE  29   2.655   1.079  -0.681
  182    HD2  PHE  29           2HD      PHE  29  -0.500  -1.414  -2.187
  183    HE1  PHE  29           1HE      PHE  29   4.286  -0.735  -1.121
  184    HE2  PHE  29           2HE      PHE  29   1.134  -3.229  -2.612
  185    HZ   PHE  29           HZ       PHE  29   3.526  -2.887  -2.087
  186    H    LEU  30           H        LEU  30  -1.023   2.855  -4.412
  187    HA   LEU  30           HA       LEU  30  -1.929   5.412  -3.389
  188   1HB   LEU  30          1HB       LEU  30  -1.303   4.245  -5.786
  189   2HB   LEU  30          2HB       LEU  30  -3.053   4.220  -5.864
  190    HG   LEU  30           HG       LEU  30  -3.182   6.608  -5.624
  191   1HD1  LEU  30          1HD2      LEU  30  -0.498   7.478  -5.720
  192   2HD1  LEU  30          2HD2      LEU  30  -0.571   6.281  -4.428
  193   3HD1  LEU  30          3HD2      LEU  30  -1.643   7.681  -4.398
  194   1HD2  LEU  30          1HD1      LEU  30  -2.796   6.184  -7.874
  195   2HD2  LEU  30          2HD1      LEU  30  -1.201   5.496  -7.572
  196   3HD2  LEU  30          3HD1      LEU  30  -1.434   7.243  -7.506
  197    H    ASN  31           H        ASN  31  -3.546   5.430  -1.909
  198    HA   ASN  31           HA       ASN  31  -5.676   3.392  -1.918
  199   1HB   ASN  31          1HB       ASN  31  -4.544   4.221   0.140
  200   2HB   ASN  31          2HB       ASN  31  -5.158   5.838  -0.192
  201   1HD2  ASN  31          1HD2      ASN  31  -5.761   4.077   2.133
  202   2HD2  ASN  31          2HD2      ASN  31  -7.436   3.846   2.116
  203    H    HIS  32           H        HIS  32  -7.238   3.747  -3.464
  204    HA   HIS  32           HA       HIS  32  -8.028   6.455  -4.283
  205   1HB   HIS  32          1HB       HIS  32  -8.317   3.673  -5.141
  206   2HB   HIS  32          2HB       HIS  32  -9.805   4.595  -5.346
  207    HD1  HIS  32           1HD      HIS  32  -9.707   6.692  -6.920
  208    HD2  HIS  32           2HD      HIS  32  -6.192   4.450  -6.839
  209    HE1  HIS  32           1HE      HIS  32  -8.306   7.484  -8.876
  210    H    ILE  33           H        ILE  33  -8.833   4.509  -1.654
  211    HA   ILE  33           HA       ILE  33 -11.706   5.240  -1.582
  212    HB   ILE  33           HB       ILE  33 -10.352   4.108   0.826
  213   1HG1  ILE  33          1HG1      ILE  33 -10.502   2.592  -1.800
  214   2HG1  ILE  33          2HG1      ILE  33  -9.086   2.844  -0.785
  215   1HG2  ILE  33          1HG2      ILE  33 -12.420   3.200   1.179
  216   2HG2  ILE  33          2HG2      ILE  33 -12.648   2.788  -0.521
  217   3HG2  ILE  33          3HG2      ILE  33 -12.917   4.442   0.030
  218   1HD1  ILE  33          1HD1      ILE  33  -9.605   0.728  -0.071
  219   2HD1  ILE  33          2HD1      ILE  33 -11.316   0.900  -0.461
  220   3HD1  ILE  33          3HD1      ILE  33 -10.671   1.620   1.014
  221    H    ASP  34           H        ASP  34  -8.943   5.583   0.626
  222    HA   ASP  34           HA       ASP  34 -10.150   8.028   1.799
  223   1HB   ASP  34          1HB       ASP  34  -8.609   5.870   2.699
  224   2HB   ASP  34          2HB       ASP  34  -7.496   7.239   2.719
  225    H    GLN  35           H        GLN  35  -8.520   7.557  -0.968
  226    HA   GLN  35           HA       GLN  35  -7.029   8.844  -2.271
  227   1HB   GLN  35          2HB       GLN  35  -8.084  10.960  -0.367
  228   2HB   GLN  35          1HB       GLN  35  -7.411  11.249  -1.971
  229   1HG   GLN  35          2HG       GLN  35  -9.317   9.404  -2.569
  230   2HG   GLN  35          1HG       GLN  35 -10.078  10.211  -1.198
  231   1HE2  GLN  35          1HE2      GLN  35 -11.639  11.021  -2.950
  232   2HE2  GLN  35          2HE2      GLN  35 -11.199  12.407  -3.824
  233    H    THR  36           H        THR  36  -5.200   7.638  -1.119
  234    HA   THR  36           HA       THR  36  -3.345   9.623   0.046
  235    HB   THR  36           HB       THR  36  -3.080   7.885   2.029
  236    HG1  THR  36           1HG      THR  36  -5.036   6.891   2.493
  237   1HG2  THR  36          1HG2      THR  36  -5.580   9.509   2.207
  238   2HG2  THR  36          2HG2      THR  36  -4.066  10.351   1.879
  239   3HG2  THR  36          3HG2      THR  36  -4.240   9.386   3.345
  240    H    THR  37           H        THR  37  -1.187   8.469   0.596
  241    HA   THR  37           HA       THR  37  -0.773   6.068  -1.151
  242    HB   THR  37           HB       THR  37   1.187   7.117  -2.092
  243    HG1  THR  37           1HG      THR  37   1.958   8.210  -0.328
  244   1HG2  THR  37          1HG2      THR  37  -1.367   8.060  -2.528
  245   2HG2  THR  37          2HG2      THR  37   0.044   8.434  -3.519
  246   3HG2  THR  37          3HG2      THR  37  -0.450   9.538  -2.238
  247    H    THR  38           H        THR  38   0.146   4.479   0.080
  248    HA   THR  38           HA       THR  38   1.977   5.338   2.311
  249    HB   THR  38           HB       THR  38  -0.221   4.381   3.034
  250    HG1  THR  38           1HG      THR  38   1.072   3.805   4.573
  251   1HG2  THR  38          1HG2      THR  38  -0.442   2.893   1.016
  252   2HG2  THR  38          2HG2      THR  38  -0.784   2.091   2.546
  253   3HG2  THR  38          3HG2      THR  38   0.763   1.828   1.739
  254    H    TRP  39           H        TRP  39   3.842   3.898   2.631
  255    HA   TRP  39           HA       TRP  39   4.696   2.630   0.092
  256   1HB   TRP  39          1HB       TRP  39   6.233   2.853   2.695
  257   2HB   TRP  39          2HB       TRP  39   6.887   2.702   1.069
  258    HD1  TRP  39           HD       TRP  39   5.141   5.218   3.372
  259    HE1  TRP  39           1HE      TRP  39   5.635   7.600   2.518
  260    HE3  TRP  39           3HE      TRP  39   7.555   4.130  -1.014
  261    HZ2  TRP  39           2HZ      TRP  39   6.882   8.870   0.302
  262    HZ3  TRP  39           3HZ      TRP  39   8.393   5.950  -2.458
  263    HH2  TRP  39           HH       TRP  39   8.058   8.319  -1.813
  264    H    GLN  40           H        GLN  40   4.542   1.692   3.552
  265    HA   GLN  40           HA       GLN  40   5.001  -1.121   3.001
  266   1HB   GLN  40          1HB       GLN  40   4.478  -1.317   5.409
  267   2HB   GLN  40          2HB       GLN  40   5.560   0.046   5.116
  268   1HG   GLN  40          2HG       GLN  40   3.141   1.264   4.837
  269   2HG   GLN  40          1HG       GLN  40   2.745   0.033   6.036
  270   1HE2  GLN  40          1HE2      GLN  40   5.332   2.473   5.388
  271   2HE2  GLN  40          2HE2      GLN  40   5.559   2.878   7.019
  272    H    ASP  41           H        ASP  41   2.961  -2.270   4.651
  273    HA   ASP  41           HA       ASP  41   0.533  -1.853   2.937
  274   1HB   ASP  41          1HB       ASP  41   1.890  -4.314   4.051
  275   2HB   ASP  41          2HB       ASP  41   0.219  -4.359   3.491
  276    HA   PRO  42           HA       PRO  42  -1.472  -1.064   6.809
  277   1HB   PRO  42          1HB       PRO  42  -4.069  -1.381   6.006
  278   2HB   PRO  42          2HB       PRO  42  -3.102   0.051   5.606
  279   1HG   PRO  42          2HG       PRO  42  -3.765  -2.324   3.935
  280   2HG   PRO  42          1HG       PRO  42  -3.655  -0.620   3.476
  281   1HD   PRO  42          1HD       PRO  42  -1.698  -2.464   2.971
  282   2HD   PRO  42          2HD       PRO  42  -1.391  -0.726   3.158
  283    H    ARG  43           H        ARG  43  -2.292  -3.944   4.908
  284    HA   ARG  43           HA       ARG  43  -2.691  -5.433   7.480
  285   1HB   ARG  43          1HB       ARG  43  -4.786  -4.749   6.126
  286   2HB   ARG  43          2HB       ARG  43  -4.247  -5.937   4.939
  287   1HG   ARG  43          1HG       ARG  43  -4.176  -7.641   6.798
  288   2HG   ARG  43          2HG       ARG  43  -4.923  -6.440   7.851
  289   1HD   ARG  43          2HD       ARG  43  -6.815  -6.266   6.174
  290   2HD   ARG  43          1HD       ARG  43  -6.098  -7.649   5.324
  291    HE   ARG  43           HE       ARG  43  -6.200  -8.478   7.969
  292   1HH1  ARG  43          1HH2      ARG  43  -8.517  -7.210   5.701
  293   2HH1  ARG  43          2HH2      ARG  43  -9.843  -8.063   6.411
  294   1HH2  ARG  43          1HH1      ARG  43  -7.937  -9.575   8.874
  295   2HH2  ARG  43          2HH1      ARG  43  -9.520  -9.392   8.193
  296    H    LYS  44           H        LYS  44  -1.589  -7.381   7.542
  297    HA   LYS  44           HA       LYS  44  -0.094  -9.076   6.849
  298   1HB   LYS  44          2HB       LYS  44  -2.085  -8.642   4.656
  299   2HB   LYS  44          1HB       LYS  44  -0.730  -9.727   4.343
  300   1HG   LYS  44          1HG       LYS  44  -1.378 -11.226   6.021
  301   2HG   LYS  44          2HG       LYS  44  -2.315 -10.007   6.884
  302   1HD   LYS  44          2HD       LYS  44  -4.173 -10.626   5.776
  303   2HD   LYS  44          1HD       LYS  44  -3.385 -10.285   4.236
  304   1HE   LYS  44          2HE       LYS  44  -2.200 -12.665   4.919
  305   2HE   LYS  44          1HE       LYS  44  -3.834 -12.881   5.576
  306   1HZ   LYS  44          1HZ       LYS  44  -3.518 -13.420   3.127
  307   2HZ   LYS  44          2HZ       LYS  44  -3.344 -11.749   2.879
  308   3HZ   LYS  44          3HZ       LYS  44  -4.795 -12.371   3.508
  309   1H    ACE  45          1H        ACE  45   9.282  13.793   3.998
  310   2H    ACE  45          2H        ACE  45   9.339  13.091   5.615
  311   3H    ACE  45          3H        ACE  45   7.961  14.079   5.133
  312    HA   PRO  46           HA       PRO  46   8.949  11.066   1.866
  313   1HB   PRO  46          2HB       PRO  46   9.075   8.363   2.260
  314   2HB   PRO  46          1HB       PRO  46  10.493   9.423   2.382
  315   1HG   PRO  46          2HG       PRO  46   8.822   8.245   4.538
  316   2HG   PRO  46          1HG       PRO  46  10.572   8.508   4.479
  317   1HD   PRO  46          2HD       PRO  46   8.834  10.119   5.841
  318   2HD   PRO  46          1HD       PRO  46  10.402  10.662   5.209
  319    H    LEU  47           H        LEU  47   6.839  11.489   1.159
  320    HA   LEU  47           HA       LEU  47   4.939   9.320   1.058
  321   1HB   LEU  47          1HB       LEU  47   4.720   9.919   3.428
  322   2HB   LEU  47          2HB       LEU  47   4.425  11.603   2.991
  323    HG   LEU  47           HG       LEU  47   2.563  10.244   1.463
  324   1HD1  LEU  47          1HD2      LEU  47   3.046   8.808   4.069
  325   2HD1  LEU  47          2HD2      LEU  47   2.777   8.124   2.464
  326   3HD1  LEU  47          3HD2      LEU  47   1.435   8.849   3.350
  327   1HD2  LEU  47          1HD1      LEU  47   0.960  11.299   2.873
  328   2HD2  LEU  47          2HD1      LEU  47   2.390  12.329   2.957
  329   3HD2  LEU  47          3HD1      LEU  47   2.027  11.216   4.275
  330    HA   PRO  48           HA       PRO  48   4.197  12.407  -2.178
  331   1HB   PRO  48          2HB       PRO  48   2.876  10.703  -3.868
  332   2HB   PRO  48          1HB       PRO  48   4.644  10.781  -3.759
  333   1HG   PRO  48          1HG       PRO  48   2.747   8.831  -2.538
  334   2HG   PRO  48          2HG       PRO  48   4.330   8.549  -3.277
  335   1HD   PRO  48          1HD       PRO  48   3.929   8.644  -0.584
  336   2HD   PRO  48          2HD       PRO  48   5.463   9.101  -1.356
  337    HA   PRO  49           HA       PRO  49   0.065  13.361  -0.905
  338   1HB   PRO  49          1HB       PRO  49  -0.549  15.238  -2.800
  339   2HB   PRO  49          2HB       PRO  49   0.533  15.563  -1.433
  340   1HG   PRO  49          1HG       PRO  49   1.189  14.940  -4.272
  341   2HG   PRO  49          2HG       PRO  49   1.962  16.079  -3.161
  342   1HD   PRO  49          2HD       PRO  49   2.981  13.614  -3.765
  343   2HD   PRO  49          1HD       PRO  49   3.294  14.461  -2.236
  344    H    TYR  50           H        TYR  50  -2.079  14.004  -2.544
  345    HA   TYR  50           HA       TYR  50  -2.319  12.164  -4.802
  346   1HB   TYR  50          2HB       TYR  50  -2.353  10.738  -2.698
  347   2HB   TYR  50          1HB       TYR  50  -3.853  11.554  -2.260
  348    HD1  TYR  50           1HD      TYR  50  -2.336   9.934  -5.293
  349    HD2  TYR  50           2HD      TYR  50  -5.828  10.483  -2.853
  350    HE1  TYR  50           1HE      TYR  50  -3.607   8.394  -6.765
  351    HE2  TYR  50           2HE      TYR  50  -7.099   8.945  -4.324
  352    HH   TYR  50           HH       TYR  50  -6.865   7.343  -5.948
  Start of MODEL    4
    1    H    PHE   5           H        PHE   5   6.292 -17.542  14.568
    2    HA   PHE   5           HA       PHE   5   8.705 -16.292  15.837
    3   1HB   PHE   5          2HB       PHE   5   8.748 -18.557  14.351
    4   2HB   PHE   5          1HB       PHE   5   8.874 -17.357  13.065
    5    HD1  PHE   5           1HD      PHE   5  10.391 -15.192  14.292
    6    HD2  PHE   5           2HD      PHE   5  10.899 -19.440  14.675
    7    HE1  PHE   5           1HE      PHE   5  12.786 -14.855  14.839
    8    HE2  PHE   5           2HE      PHE   5  13.295 -19.104  15.223
    9    HZ   PHE   5           HZ       PHE   5  14.238 -16.811  15.305
   10    H    GLU   6           H        GLU   6   7.447 -14.261  15.738
   11    HA   GLU   6           HA       GLU   6   6.790 -12.247  14.688
   12   1HB   GLU   6          2HB       GLU   6   9.259 -13.121  13.762
   13   2HB   GLU   6          1HB       GLU   6   8.374 -12.780  12.276
   14   1HG   GLU   6          2HG       GLU   6   8.183 -10.527  12.744
   15   2HG   GLU   6          1HG       GLU   6   8.187 -10.783  14.489
   16    H    ILE   7           H        ILE   7   6.063 -11.441  12.304
   17    HA   ILE   7           HA       ILE   7   4.301 -13.592  11.171
   18    HB   ILE   7           HB       ILE   7   2.652 -11.778  10.847
   19   1HG1  ILE   7          2HG1      ILE   7   3.750  -9.729  12.473
   20   2HG1  ILE   7          1HG1      ILE   7   4.994 -10.158  11.300
   21   1HG2  ILE   7          1HG2      ILE   7   3.825 -11.960  13.638
   22   2HG2  ILE   7          2HG2      ILE   7   2.565 -12.989  12.955
   23   3HG2  ILE   7          3HG2      ILE   7   2.239 -11.283  13.268
   24   1HD1  ILE   7          1HD1      ILE   7   3.693  -9.531   9.484
   25   2HD1  ILE   7          2HD1      ILE   7   3.110  -8.386  10.694
   26   3HD1  ILE   7          3HD1      ILE   7   2.178  -9.838  10.333
   27    HA   PRO   8           HA       PRO   8   6.303 -12.570   7.358
   28   1HB   PRO   8          1HB       PRO   8   4.490 -13.655   5.620
   29   2HB   PRO   8          2HB       PRO   8   5.616 -14.634   6.579
   30   1HG   PRO   8          1HG       PRO   8   2.728 -14.059   7.036
   31   2HG   PRO   8          2HG       PRO   8   3.633 -15.559   7.289
   32   1HD   PRO   8          1HD       PRO   8   2.933 -13.837   9.300
   33   2HD   PRO   8          2HD       PRO   8   4.339 -14.922   9.372
   34    H    ASP   9           H        ASP   9   5.677 -11.440   5.200
   35    HA   ASP   9           HA       ASP   9   3.637  -9.315   5.778
   36   1HB   ASP   9          2HB       ASP   9   6.311  -9.050   5.449
   37   2HB   ASP   9          1HB       ASP   9   5.796  -8.924   3.768
   38    H    ASP  10           H        ASP  10   2.575 -11.583   4.674
   39    HA   ASP  10           HA       ASP  10   2.589 -11.303   1.719
   40   1HB   ASP  10          1HB       ASP  10   2.089 -13.343   3.727
   41   2HB   ASP  10          2HB       ASP  10   0.772 -13.279   2.556
   42    H    VAL  11           H        VAL  11   0.658 -10.421   4.474
   43    HA   VAL  11           HA       VAL  11  -1.955 -10.327   3.457
   44    HB   VAL  11           HB       VAL  11  -0.440  -8.381   5.223
   45   1HG1  VAL  11          1HG2      VAL  11  -2.480  -7.317   4.471
   46   2HG1  VAL  11          2HG2      VAL  11  -2.750  -7.888   6.118
   47   3HG1  VAL  11          3HG2      VAL  11  -3.407  -8.791   4.754
   48   1HG2  VAL  11          1HG1      VAL  11  -0.341 -10.378   6.384
   49   2HG2  VAL  11          2HG1      VAL  11  -1.795 -11.017   5.618
   50   3HG2  VAL  11          3HG1      VAL  11  -1.931  -9.822   6.908
   51    HA   PRO  12           HA       PRO  12  -1.031  -7.393   0.142
   52   1HB   PRO  12          1HB       PRO  12  -3.324  -7.844  -1.281
   53   2HB   PRO  12          2HB       PRO  12  -1.916  -8.916  -1.359
   54   1HG   PRO  12          1HG       PRO  12  -4.475  -9.231   0.108
   55   2HG   PRO  12          2HG       PRO  12  -3.469 -10.450  -0.685
   56   1HD   PRO  12          1HD       PRO  12  -3.547  -9.980   2.039
   57   2HD   PRO  12          2HD       PRO  12  -2.214 -10.783   1.190
   58    H    LEU  13           H        LEU  13  -3.222  -5.990  -1.012
   59    HA   LEU  13           HA       LEU  13  -4.144  -4.381   1.335
   60   1HB   LEU  13          2HB       LEU  13  -3.673  -3.771  -1.598
   61   2HB   LEU  13          1HB       LEU  13  -4.380  -2.614  -0.471
   62    HG   LEU  13           HG       LEU  13  -2.229  -3.286   0.972
   63   1HD1  LEU  13          1HD1      LEU  13  -0.869  -3.278  -1.656
   64   2HD1  LEU  13          2HD1      LEU  13  -1.727  -4.769  -1.264
   65   3HD1  LEU  13          3HD1      LEU  13  -0.471  -4.165  -0.185
   66   1HD2  LEU  13          1HD2      LEU  13  -2.718  -1.008   0.338
   67   2HD2  LEU  13          2HD2      LEU  13  -2.332  -1.342  -1.351
   68   3HD2  LEU  13          3HD2      LEU  13  -1.053  -1.342  -0.136
   69    HA   PRO  14           HA       PRO  14  -8.294  -5.526   0.421
   70   1HB   PRO  14          2HB       PRO  14  -9.652  -3.307   1.271
   71   2HB   PRO  14          1HB       PRO  14  -8.927  -4.486   2.379
   72   1HG   PRO  14          1HG       PRO  14  -7.929  -1.816   1.526
   73   2HG   PRO  14          2HG       PRO  14  -7.837  -2.600   3.106
   74   1HD   PRO  14          2HD       PRO  14  -5.747  -2.465   1.339
   75   2HD   PRO  14          1HD       PRO  14  -5.926  -3.735   2.569
   76    H    ALA  15           H        ALA  15 -10.416  -3.967  -0.442
   77    HA   ALA  15           HA       ALA  15  -9.792  -3.575  -3.248
   78   1HB   ALA  15          1HB       ALA  15 -11.952  -4.365  -2.053
   79   2HB   ALA  15          2HB       ALA  15 -12.137  -3.276  -3.431
   80   3HB   ALA  15          3HB       ALA  15 -12.267  -2.650  -1.787
   81    H    GLY  16           H        GLY  16 -10.483  -1.467  -4.356
   82   1HA   GLY  16          1HA       GLY  16 -10.239   0.847  -4.654
   83   2HA   GLY  16          2HA       GLY  16 -10.517   1.015  -2.922
   84    H    TRP  17           H        TRP  17  -7.933  -1.107  -3.641
   85    HA   TRP  17           HA       TRP  17  -5.981   1.060  -2.964
   86   1HB   TRP  17          1HB       TRP  17  -6.435  -1.768  -2.183
   87   2HB   TRP  17          2HB       TRP  17  -4.749  -1.272  -2.351
   88    HD1  TRP  17           HD       TRP  17  -7.798  -0.826  -0.190
   89    HE1  TRP  17           1HE      TRP  17  -7.188   0.635   1.854
   90    HE3  TRP  17           3HE      TRP  17  -3.158   0.726  -1.593
   91    HZ2  TRP  17           2HZ      TRP  17  -4.993   2.252   2.763
   92    HZ3  TRP  17           3HZ      TRP  17  -1.836   2.220  -0.140
   93    HH2  TRP  17           HH       TRP  17  -2.730   2.984   2.031
   94    H    GLU  18           H        GLU  18  -4.070   1.216  -4.211
   95    HA   GLU  18           HA       GLU  18  -3.805  -0.710  -6.494
   96   1HB   GLU  18          1HB       GLU  18  -4.425   2.135  -6.482
   97   2HB   GLU  18          2HB       GLU  18  -2.971   1.796  -7.414
   98   1HG   GLU  18          1HG       GLU  18  -4.745   1.545  -8.968
   99   2HG   GLU  18          2HG       GLU  18  -4.317  -0.102  -8.509
  100    H    MET  19           H        MET  19  -1.915  -1.715  -5.539
  101    HA   MET  19           HA       MET  19   0.284  -0.200  -4.465
  102   1HB   MET  19          1HB       MET  19   1.498  -2.346  -4.793
  103   2HB   MET  19          2HB       MET  19  -0.034  -2.582  -3.976
  104   1HG   MET  19          1HG       MET  19  -0.834  -2.870  -6.555
  105   2HG   MET  19          2HG       MET  19   0.835  -3.410  -6.703
  106   1HE   MET  19          1HE       MET  19  -2.696  -4.734  -4.501
  107   2HE   MET  19          2HE       MET  19  -1.846  -3.204  -4.299
  108   3HE   MET  19          3HE       MET  19  -1.530  -4.532  -3.188
  109    H    ALA  20           H        ALA  20   1.685   1.014  -5.611
  110    HA   ALA  20           HA       ALA  20   2.481   0.228  -8.345
  111   1HB   ALA  20          1HB       ALA  20   1.813   2.797  -8.855
  112   2HB   ALA  20          2HB       ALA  20   0.659   2.471  -7.566
  113   3HB   ALA  20          3HB       ALA  20   0.651   1.486  -9.025
  114    H    LYS  21           H        LYS  21   3.666   2.976  -8.766
  115    HA   LYS  21           HA       LYS  21   5.589   2.934  -6.481
  116   1HB   LYS  21          1HB       LYS  21   6.210   1.872  -8.798
  117   2HB   LYS  21          2HB       LYS  21   6.410   3.548  -9.306
  118   1HG   LYS  21          2HG       LYS  21   7.933   3.870  -7.308
  119   2HG   LYS  21          1HG       LYS  21   7.860   2.126  -7.059
  120   1HD   LYS  21          2HD       LYS  21   8.468   2.189  -9.698
  121   2HD   LYS  21          1HD       LYS  21   9.247   3.681  -9.174
  122   1HE   LYS  21          1HE       LYS  21  10.855   2.557  -7.994
  123   2HE   LYS  21          2HE       LYS  21   9.696   1.357  -7.388
  124   1HZ   LYS  21          1HZ       LYS  21  11.302   0.464  -9.057
  125   2HZ   LYS  21          2HZ       LYS  21  10.617   1.503 -10.212
  126   3HZ   LYS  21          3HZ       LYS  21   9.676   0.278  -9.504
  127    H    THR  22           H        THR  22   6.783   4.919  -6.135
  128    HA   THR  22           HA       THR  22   5.306   7.323  -7.185
  129    HB   THR  22           HB       THR  22   4.586   7.103  -4.960
  130    HG1  THR  22           1HG      THR  22   5.302   9.150  -5.157
  131   1HG2  THR  22          1HG2      THR  22   5.994   6.485  -3.077
  132   2HG2  THR  22          2HG2      THR  22   7.435   6.527  -4.091
  133   3HG2  THR  22          3HG2      THR  22   6.213   5.284  -4.347
  134    H    SER  23           H        SER  23   6.695   9.377  -6.522
  135    HA   SER  23           HA       SER  23   9.152   9.239  -8.036
  136   1HB   SER  23          1HB       SER  23   7.932  11.326  -6.202
  137   2HB   SER  23          2HB       SER  23   9.308  11.625  -7.264
  138    HG   SER  23           HG       SER  23   6.802  11.826  -7.889
  139    H    SER  24           H        SER  24  10.481   7.680  -6.914
  140    HA   SER  24           HA       SER  24  12.312   8.735  -5.001
  141   1HB   SER  24          1HB       SER  24   9.802   7.958  -3.937
  142   2HB   SER  24          2HB       SER  24  10.955   6.718  -3.442
  143    HG   SER  24           HG       SER  24  11.877   8.097  -2.169
  144    H    GLY  25           H        GLY  25  10.701   5.887  -6.275
  145   1HA   GLY  25          2HA       GLY  25  12.064   4.232  -7.513
  146   2HA   GLY  25          1HA       GLY  25  13.344   4.497  -6.328
  147    H    GLN  26           H        GLN  26  10.010   4.317  -5.315
  148    HA   GLN  26           HA       GLN  26  10.424   1.514  -4.357
  149   1HB   GLN  26          2HB       GLN  26   9.550   3.941  -2.755
  150   2HB   GLN  26          1HB       GLN  26   9.561   2.285  -2.142
  151   1HG   GLN  26          2HG       GLN  26  12.088   2.410  -3.065
  152   2HG   GLN  26          1HG       GLN  26  11.842   4.118  -2.703
  153   1HE2  GLN  26          1HE2      GLN  26  10.298   4.090  -0.411
  154   2HE2  GLN  26          2HE2      GLN  26  11.099   3.272   0.842
  155    H    ARG  27           H        ARG  27   8.426   0.384  -3.926
  156    HA   ARG  27           HA       ARG  27   6.193   1.278  -5.603
  157   1HB   ARG  27          1HB       ARG  27   7.160  -1.179  -4.363
  158   2HB   ARG  27          2HB       ARG  27   5.425  -0.981  -4.130
  159   1HG   ARG  27          2HG       ARG  27   5.434  -1.979  -6.222
  160   2HG   ARG  27          1HG       ARG  27   5.492  -0.274  -6.679
  161   1HD   ARG  27          1HD       ARG  27   7.427  -0.710  -7.785
  162   2HD   ARG  27          2HD       ARG  27   8.184  -1.089  -6.225
  163    HE   ARG  27           HE       ARG  27   6.515  -3.258  -7.244
  164   1HH1  ARG  27          1HH2      ARG  27   9.665  -1.780  -7.329
  165   2HH1  ARG  27          2HH2      ARG  27  10.460  -3.243  -7.795
  166   1HH2  ARG  27          1HH1      ARG  27   7.569  -5.145  -7.850
  167   2HH2  ARG  27          2HH1      ARG  27   9.285  -5.135  -8.088
  168    H    TYR  28           H        TYR  28   4.663   2.590  -4.822
  169    HA   TYR  28           HA       TYR  28   4.120   2.525  -1.888
  170   1HB   TYR  28          1HB       TYR  28   3.463   4.783  -2.054
  171   2HB   TYR  28          2HB       TYR  28   4.840   4.675  -3.133
  172    HD1  TYR  28           1HD      TYR  28   2.975   3.110  -5.307
  173    HD2  TYR  28           2HD      TYR  28   2.747   6.839  -3.196
  174    HE1  TYR  28           1HE      TYR  28   1.676   4.073  -7.154
  175    HE2  TYR  28           2HE      TYR  28   1.424   7.790  -5.047
  176    HH   TYR  28           HH       TYR  28   1.055   6.143  -8.079
  177    H    PHE  29           H        PHE  29   1.711   3.136  -1.501
  178    HA   PHE  29           HA       PHE  29   0.093   1.428  -3.328
  179   1HB   PHE  29          2HB       PHE  29   0.196   1.608  -0.300
  180   2HB   PHE  29          1HB       PHE  29  -1.011   0.669  -1.192
  181    HD1  PHE  29           1HD      PHE  29  -0.464  -1.417  -2.173
  182    HD2  PHE  29           2HD      PHE  29   2.689   1.102  -0.708
  183    HE1  PHE  29           1HE      PHE  29   1.175  -3.224  -2.610
  184    HE2  PHE  29           2HE      PHE  29   4.324  -0.711  -1.140
  185    HZ   PHE  29           HZ       PHE  29   3.568  -2.870  -2.092
  186    H    LEU  30           H        LEU  30  -0.999   2.866  -4.422
  187    HA   LEU  30           HA       LEU  30  -1.927   5.409  -3.391
  188   1HB   LEU  30          1HB       LEU  30  -1.300   4.248  -5.794
  189   2HB   LEU  30          2HB       LEU  30  -3.049   4.221  -5.868
  190    HG   LEU  30           HG       LEU  30  -3.179   6.609  -5.615
  191   1HD1  LEU  30          1HD2      LEU  30  -1.636   7.679  -4.394
  192   2HD1  LEU  30          2HD2      LEU  30  -0.495   7.477  -5.720
  193   3HD1  LEU  30          3HD2      LEU  30  -0.568   6.278  -4.430
  194   1HD2  LEU  30          1HD1      LEU  30  -1.270   5.463  -7.594
  195   2HD2  LEU  30          2HD1      LEU  30  -1.372   7.220  -7.490
  196   3HD2  LEU  30          3HD1      LEU  30  -2.812   6.273  -7.865
  197    H    ASN  31           H        ASN  31  -3.550   5.424  -1.917
  198    HA   ASN  31           HA       ASN  31  -5.664   3.367  -1.929
  199   1HB   ASN  31          1HB       ASN  31  -4.534   4.189   0.132
  200   2HB   ASN  31          2HB       ASN  31  -5.158   5.806  -0.190
  201   1HD2  ASN  31          1HD2      ASN  31  -5.752   4.035   2.127
  202   2HD2  ASN  31          2HD2      ASN  31  -7.425   3.793   2.110
  203    H    HIS  32           H        HIS  32  -7.259   3.711  -3.435
  204    HA   HIS  32           HA       HIS  32  -8.053   6.414  -4.273
  205   1HB   HIS  32          1HB       HIS  32  -8.486   3.585  -5.034
  206   2HB   HIS  32          2HB       HIS  32  -9.840   4.663  -5.370
  207    HD1  HIS  32           1HD      HIS  32  -9.385   6.683  -6.996
  208    HD2  HIS  32           2HD      HIS  32  -6.207   4.007  -6.646
  209    HE1  HIS  32           1HE      HIS  32  -7.794   7.207  -8.895
  210    H    ILE  33           H        ILE  33  -8.845   4.462  -1.632
  211    HA   ILE  33           HA       ILE  33 -11.706   5.226  -1.521
  212    HB   ILE  33           HB       ILE  33 -10.333   4.086   0.871
  213   1HG1  ILE  33          2HG1      ILE  33 -10.535   2.568  -1.748
  214   2HG1  ILE  33          1HG1      ILE  33  -9.103   2.805  -0.750
  215   1HG2  ILE  33          1HG2      ILE  33 -12.433   3.377   1.298
  216   2HG2  ILE  33          2HG2      ILE  33 -12.610   2.675  -0.310
  217   3HG2  ILE  33          3HG2      ILE  33 -12.927   4.391  -0.057
  218   1HD1  ILE  33          1HD1      ILE  33  -9.561   0.851   0.263
  219   2HD1  ILE  33          2HD1      ILE  33 -11.111   0.726  -0.569
  220   3HD1  ILE  33          3HD1      ILE  33 -10.997   1.608   0.954
  221    H    ASP  34           H        ASP  34  -8.943   5.530   0.693
  222    HA   ASP  34           HA       ASP  34 -10.110   7.979   1.879
  223   1HB   ASP  34          1HB       ASP  34  -8.481   5.828   2.695
  224   2HB   ASP  34          2HB       ASP  34  -7.439   7.250   2.748
  225    H    GLN  35           H        GLN  35  -8.510   7.500  -0.925
  226    HA   GLN  35           HA       GLN  35  -7.070   8.811  -2.261
  227   1HB   GLN  35          2HB       GLN  35  -8.129  10.916  -0.346
  228   2HB   GLN  35          1HB       GLN  35  -7.485  11.212  -1.961
  229   1HG   GLN  35          1HG       GLN  35  -9.300   9.602  -2.805
  230   2HG   GLN  35          2HG       GLN  35 -10.025   9.758  -1.205
  231   1HE2  GLN  35          1HE2      GLN  35  -8.946  11.738  -4.006
  232   2HE2  GLN  35          2HE2      GLN  35 -10.047  13.001  -3.732
  233    H    THR  36           H        THR  36  -5.213   7.627  -1.114
  234    HA   THR  36           HA       THR  36  -3.362   9.646  -0.003
  235    HB   THR  36           HB       THR  36  -3.058   7.936   2.003
  236    HG1  THR  36           1HG      THR  36  -4.493   6.415   1.754
  237   1HG2  THR  36          1HG2      THR  36  -5.560   9.510   2.280
  238   2HG2  THR  36          2HG2      THR  36  -4.129  10.403   1.765
  239   3HG2  THR  36          3HG2      THR  36  -4.112   9.509   3.286
  240    H    THR  37           H        THR  37  -1.185   8.539   0.525
  241    HA   THR  37           HA       THR  37  -0.759   6.126  -1.207
  242    HB   THR  37           HB       THR  37   1.222   7.186  -2.106
  243    HG1  THR  37           1HG      THR  37   1.553   9.457  -1.356
  244   1HG2  THR  37          1HG2      THR  37  -1.347   8.144  -2.546
  245   2HG2  THR  37          2HG2      THR  37   0.065   8.455  -3.557
  246   3HG2  THR  37          3HG2      THR  37  -0.392   9.606  -2.301
  247    H    THR  38           H        THR  38   0.090   4.527   0.070
  248    HA   THR  38           HA       THR  38   1.919   5.367   2.308
  249    HB   THR  38           HB       THR  38  -0.299   4.418   2.994
  250    HG1  THR  38           1HG      THR  38   1.863   2.661   3.505
  251   1HG2  THR  38          1HG2      THR  38  -0.461   2.912   0.969
  252   2HG2  THR  38          2HG2      THR  38  -0.868   2.140   2.499
  253   3HG2  THR  38          3HG2      THR  38   0.704   1.848   1.752
  254    H    TRP  39           H        TRP  39   3.819   4.013   2.583
  255    HA   TRP  39           HA       TRP  39   4.673   2.715   0.071
  256   1HB   TRP  39          2HB       TRP  39   6.184   2.937   2.691
  257   2HB   TRP  39          1HB       TRP  39   6.857   2.771   1.073
  258    HD1  TRP  39           HD       TRP  39   5.129   5.315   3.353
  259    HE1  TRP  39           1HE      TRP  39   5.638   7.688   2.484
  260    HE3  TRP  39           3HE      TRP  39   7.528   4.184  -1.032
  261    HZ2  TRP  39           2HZ      TRP  39   6.893   8.936   0.262
  262    HZ3  TRP  39           3HZ      TRP  39   8.377   5.991  -2.485
  263    HH2  TRP  39           HH       TRP  39   8.061   8.365  -1.852
  264    H    GLN  40           H        GLN  40   4.169   1.794   3.487
  265    HA   GLN  40           HA       GLN  40   4.781  -1.023   2.981
  266   1HB   GLN  40          2HB       GLN  40   3.455   0.386   5.321
  267   2HB   GLN  40          1HB       GLN  40   4.167  -1.227   5.352
  268   1HG   GLN  40          2HG       GLN  40   6.213  -0.363   5.719
  269   2HG   GLN  40          1HG       GLN  40   6.075   0.658   4.287
  270   1HE2  GLN  40          1HE2      GLN  40   6.171   0.708   7.717
  271   2HE2  GLN  40          2HE2      GLN  40   5.680   2.318   7.937
  272    H    ASP  41           H        ASP  41   2.638  -2.142   4.565
  273    HA   ASP  41           HA       ASP  41   0.274  -1.702   2.771
  274   1HB   ASP  41          1HB       ASP  41  -0.003  -4.162   2.801
  275   2HB   ASP  41          2HB       ASP  41   1.582  -3.716   2.168
  276    HA   PRO  42           HA       PRO  42  -1.842  -1.336   6.642
  277   1HB   PRO  42          1HB       PRO  42  -4.406  -1.711   5.763
  278   2HB   PRO  42          2HB       PRO  42  -3.502  -0.208   5.495
  279   1HG   PRO  42          2HG       PRO  42  -4.019  -2.474   3.633
  280   2HG   PRO  42          1HG       PRO  42  -3.989  -0.735   3.309
  281   1HD   PRO  42          2HD       PRO  42  -1.933  -2.435   2.700
  282   2HD   PRO  42          1HD       PRO  42  -1.716  -0.703   3.035
  283    H    ARG  43           H        ARG  43  -3.922  -2.701   7.640
  284    HA   ARG  43           HA       ARG  43  -4.502  -4.774   8.618
  285   1HB   ARG  43          1HB       ARG  43  -4.123  -5.120   5.698
  286   2HB   ARG  43          2HB       ARG  43  -4.146  -6.615   6.634
  287   1HG   ARG  43          2HG       ARG  43  -6.359  -6.413   7.121
  288   2HG   ARG  43          1HG       ARG  43  -6.231  -4.676   7.405
  289   1HD   ARG  43          2HD       ARG  43  -6.101  -4.345   4.906
  290   2HD   ARG  43          1HD       ARG  43  -6.442  -6.076   4.715
  291    HE   ARG  43           HE       ARG  43  -8.359  -4.042   5.550
  292   1HH1  ARG  43          1HH2      ARG  43  -7.437  -7.387   5.820
  293   2HH1  ARG  43          2HH2      ARG  43  -9.039  -7.911   6.208
  294   1HH2  ARG  43          1HH1      ARG  43 -10.430  -4.747   6.056
  295   2HH2  ARG  43          2HH1      ARG  43 -10.721  -6.430   6.341
  296    H    LYS  44           H        LYS  44  -2.477  -4.574   9.968
  297    HA   LYS  44           HA       LYS  44  -0.484  -5.492  10.848
  298   1HB   LYS  44          2HB       LYS  44  -2.266  -7.481  10.045
  299   2HB   LYS  44          1HB       LYS  44  -0.726  -7.994   9.354
  300   1HG   LYS  44          1HG       LYS  44   0.333  -7.677  11.596
  301   2HG   LYS  44          2HG       LYS  44  -1.257  -7.301  12.258
  302   1HD   LYS  44          1HD       LYS  44  -1.715  -9.659  10.891
  303   2HD   LYS  44          2HD       LYS  44  -0.095  -9.903  11.548
  304   1HE   LYS  44          1HE       LYS  44  -1.088 -10.410  13.529
  305   2HE   LYS  44          2HE       LYS  44  -1.581  -8.710  13.635
  306   1HZ   LYS  44          1HZ       LYS  44  -3.058 -10.670  11.975
  307   2HZ   LYS  44          2HZ       LYS  44  -3.586  -9.155  12.535
  308   3HZ   LYS  44          3HZ       LYS  44  -3.426 -10.454  13.616
  309   1H    ACE  45          1H        ACE  45   6.261  11.251   5.834
  310   2H    ACE  45          2H        ACE  45   7.917  11.697   6.247
  311   3H    ACE  45          3H        ACE  45   7.023  10.576   7.274
  312    HA   PRO  46           HA       PRO  46   7.800  11.861   3.621
  313   1HB   PRO  46          2HB       PRO  46   8.755  10.785   1.295
  314   2HB   PRO  46          1HB       PRO  46   9.775  11.693   2.428
  315   1HG   PRO  46          2HG       PRO  46   9.529   8.759   2.039
  316   2HG   PRO  46          1HG       PRO  46  10.961   9.735   2.396
  317   1HD   PRO  46          2HD       PRO  46   9.623   8.257   4.266
  318   2HD   PRO  46          1HD       PRO  46  10.583   9.702   4.646
  319    H    LEU  47           H        LEU  47   6.421  11.743   1.519
  320    HA   LEU  47           HA       LEU  47   5.065   9.289   0.828
  321   1HB   LEU  47          2HB       LEU  47   4.350   9.958   3.246
  322   2HB   LEU  47          1HB       LEU  47   3.391  11.204   2.446
  323    HG   LEU  47           HG       LEU  47   3.062   8.638   1.125
  324   1HD1  LEU  47          1HD2      LEU  47   3.044   8.683   4.073
  325   2HD1  LEU  47          2HD2      LEU  47   3.130   7.310   2.969
  326   3HD1  LEU  47          3HD2      LEU  47   1.570   8.038   3.353
  327   1HD2  LEU  47          1HD1      LEU  47   0.632   9.199   1.847
  328   2HD2  LEU  47          2HD1      LEU  47   1.442  10.312   0.744
  329   3HD2  LEU  47          3HD1      LEU  47   1.316  10.705   2.459
  330    HA   PRO  48           HA       PRO  48   4.247  12.268  -2.405
  331   1HB   PRO  48          2HB       PRO  48   2.934  10.581  -4.113
  332   2HB   PRO  48          1HB       PRO  48   4.696  10.585  -3.926
  333   1HG   PRO  48          2HG       PRO  48   2.666   8.737  -2.777
  334   2HG   PRO  48          1HG       PRO  48   4.282   8.385  -3.399
  335   1HD   PRO  48          1HD       PRO  48   3.679   8.576  -0.736
  336   2HD   PRO  48          2HD       PRO  48   5.293   8.891  -1.411
  337    HA   PRO  49           HA       PRO  49   0.097  13.431  -1.416
  338   1HB   PRO  49          2HB       PRO  49  -0.421  15.129  -3.499
  339   2HB   PRO  49          1HB       PRO  49   0.635  15.559  -2.141
  340   1HG   PRO  49          1HG       PRO  49   1.346  14.648  -4.888
  341   2HG   PRO  49          2HG       PRO  49   2.121  15.871  -3.872
  342   1HD   PRO  49          2HD       PRO  49   3.089  13.336  -4.207
  343   2HD   PRO  49          1HD       PRO  49   3.387  14.322  -2.759
  344    H    TYR  50           H        TYR  50  -1.970  13.982  -3.211
  345    HA   TYR  50           HA       TYR  50  -2.175  11.630  -5.028
  346   1HB   TYR  50          2HB       TYR  50  -2.985  11.324  -2.526
  347   2HB   TYR  50          1HB       TYR  50  -4.393  12.224  -3.093
  348    HD1  TYR  50           1HD      TYR  50  -4.952  11.369  -5.730
  349    HD2  TYR  50           2HD      TYR  50  -3.402   9.034  -2.475
  350    HE1  TYR  50           1HE      TYR  50  -5.849   9.309  -6.781
  351    HE2  TYR  50           2HE      TYR  50  -4.301   6.974  -3.525
  352    HH   TYR  50           HH       TYR  50  -6.538   7.037  -6.070
  Start of MODEL    5
    1    H    PHE   5           H        PHE   5   1.829 -19.160  14.917
    2    HA   PHE   5           HA       PHE   5  -1.062 -19.597  14.998
    3   1HB   PHE   5          2HB       PHE   5  -0.593 -18.833  17.291
    4   2HB   PHE   5          1HB       PHE   5   0.240 -17.414  16.659
    5    HD1  PHE   5           1HD      PHE   5  -0.991 -15.445  16.695
    6    HD2  PHE   5           2HD      PHE   5  -3.027 -19.174  16.063
    7    HE1  PHE   5           1HE      PHE   5  -3.154 -14.239  16.546
    8    HE2  PHE   5           2HE      PHE   5  -5.190 -17.968  15.913
    9    HZ   PHE   5           HZ       PHE   5  -5.252 -15.500  16.156
   10    H    GLU   6           H        GLU   6   1.306 -16.902  14.803
   11    HA   GLU   6           HA       GLU   6   1.557 -15.221  13.161
   12   1HB   GLU   6          2HB       GLU   6   0.767 -17.751  11.757
   13   2HB   GLU   6          1HB       GLU   6   0.908 -16.269  10.811
   14   1HG   GLU   6          2HG       GLU   6   3.197 -16.021  11.318
   15   2HG   GLU   6          1HG       GLU   6   3.100 -17.105  12.706
   16    H    ILE   7           H        ILE   7   0.062 -14.518  10.959
   17    HA   ILE   7           HA       ILE   7  -2.382 -13.461  12.187
   18    HB   ILE   7           HB       ILE   7  -1.205 -13.281   9.393
   19   1HG1  ILE   7          1HG1      ILE   7  -1.117 -10.940  11.170
   20   2HG1  ILE   7          2HG1      ILE   7  -0.177 -12.307  11.767
   21   1HG2  ILE   7          1HG2      ILE   7  -3.213 -11.442  10.723
   22   2HG2  ILE   7          2HG2      ILE   7  -3.682 -12.757   9.645
   23   3HG2  ILE   7          3HG2      ILE   7  -2.692 -11.429   9.037
   24   1HD1  ILE   7          1HD1      ILE   7   0.028 -11.260   8.932
   25   2HD1  ILE   7          2HD1      ILE   7   1.090 -12.428   9.719
   26   3HD1  ILE   7          3HD1      ILE   7   1.097 -10.741  10.236
   27    HA   PRO   8           HA       PRO   8  -5.001 -16.682  10.675
   28   1HB   PRO   8          2HB       PRO   8  -7.404 -15.365  10.769
   29   2HB   PRO   8          1HB       PRO   8  -6.577 -15.991  12.208
   30   1HG   PRO   8          1HG       PRO   8  -6.707 -13.211  11.149
   31   2HG   PRO   8          2HG       PRO   8  -6.722 -13.783  12.821
   32   1HD   PRO   8          1HD       PRO   8  -4.521 -12.726  11.581
   33   2HD   PRO   8          2HD       PRO   8  -4.442 -13.862  12.943
   34    H    ASP   9           H        ASP   9  -6.885 -13.974   9.398
   35    HA   ASP   9           HA       ASP   9  -7.037 -15.074   6.765
   36   1HB   ASP   9          2HB       ASP   9  -8.162 -13.005   8.283
   37   2HB   ASP   9          1HB       ASP   9  -7.383 -12.184   6.930
   38    H    ASP  10           H        ASP  10  -5.107 -12.336   8.039
   39    HA   ASP  10           HA       ASP  10  -3.189 -11.280   7.147
   40   1HB   ASP  10          2HB       ASP  10  -2.318 -13.511   7.642
   41   2HB   ASP  10          1HB       ASP  10  -2.929 -14.118   6.104
   42    H    VAL  11           H        VAL  11  -5.300 -10.493   5.676
   43    HA   VAL  11           HA       VAL  11  -4.896 -11.176   2.825
   44    HB   VAL  11           HB       VAL  11  -6.784  -9.264   4.243
   45   1HG1  VAL  11          1HG1      VAL  11  -8.011  -9.175   2.212
   46   2HG1  VAL  11          2HG1      VAL  11  -7.131 -10.542   1.527
   47   3HG1  VAL  11          3HG1      VAL  11  -6.327  -8.984   1.722
   48   1HG2  VAL  11          1HG2      VAL  11  -7.291 -12.080   3.241
   49   2HG2  VAL  11          2HG2      VAL  11  -8.409 -11.058   4.142
   50   3HG2  VAL  11          3HG2      VAL  11  -6.960 -11.682   4.927
   51    HA   PRO  12           HA       PRO  12  -2.242  -7.695   2.163
   52   1HB   PRO  12          1HB       PRO  12  -2.564  -7.424  -0.548
   53   2HB   PRO  12          2HB       PRO  12  -1.600  -8.717   0.186
   54   1HG   PRO  12          1HG       PRO  12  -4.389  -8.778  -0.863
   55   2HG   PRO  12          2HG       PRO  12  -3.098  -9.975  -1.033
   56   1HD   PRO  12          2HD       PRO  12  -5.137 -10.225   0.750
   57   2HD   PRO  12          1HD       PRO  12  -3.519 -10.904   1.028
   58    H    LEU  13           H        LEU  13  -2.735  -5.697   0.187
   59    HA   LEU  13           HA       LEU  13  -4.402  -3.858   1.499
   60   1HB   LEU  13          2HB       LEU  13  -3.785  -4.112  -1.464
   61   2HB   LEU  13          1HB       LEU  13  -4.267  -2.631  -0.637
   62    HG   LEU  13           HG       LEU  13  -2.114  -3.624   0.865
   63   1HD1  LEU  13          1HD2      LEU  13  -0.998  -3.431  -1.866
   64   2HD1  LEU  13          2HD2      LEU  13  -1.914  -4.901  -1.541
   65   3HD1  LEU  13          3HD2      LEU  13  -0.530  -4.484  -0.531
   66   1HD2  LEU  13          1HD1      LEU  13  -2.615  -1.260   0.409
   67   2HD2  LEU  13          2HD1      LEU  13  -2.190  -1.486  -1.287
   68   3HD2  LEU  13          3HD1      LEU  13  -0.951  -1.630  -0.041
   69    HA   PRO  14           HA       PRO  14  -8.426  -5.476   0.531
   70   1HB   PRO  14          2HB       PRO  14  -9.912  -3.292   1.245
   71   2HB   PRO  14          1HB       PRO  14  -9.190  -4.401   2.426
   72   1HG   PRO  14          1HG       PRO  14  -8.265  -1.721   1.521
   73   2HG   PRO  14          2HG       PRO  14  -8.223  -2.440   3.135
   74   1HD   PRO  14          2HD       PRO  14  -6.052  -2.282   1.475
   75   2HD   PRO  14          1HD       PRO  14  -6.245  -3.517   2.736
   76    H    ALA  15           H        ALA  15 -10.561  -3.969  -0.459
   77    HA   ALA  15           HA       ALA  15  -9.819  -3.641  -3.249
   78   1HB   ALA  15          1HB       ALA  15 -12.315  -2.740  -3.161
   79   2HB   ALA  15          2HB       ALA  15 -12.262  -3.399  -1.527
   80   3HB   ALA  15          3HB       ALA  15 -11.975  -4.452  -2.913
   81    H    GLY  16           H        GLY  16 -10.572  -1.552  -4.415
   82   1HA   GLY  16          1HA       GLY  16 -10.351   0.761  -4.739
   83   2HA   GLY  16          2HA       GLY  16 -10.675   0.945  -3.016
   84    H    TRP  17           H        TRP  17  -8.036  -1.138  -3.680
   85    HA   TRP  17           HA       TRP  17  -6.136   1.058  -2.941
   86   1HB   TRP  17          1HB       TRP  17  -6.553  -1.789  -2.210
   87   2HB   TRP  17          2HB       TRP  17  -4.873  -1.271  -2.357
   88    HD1  TRP  17           HD       TRP  17  -7.966  -0.843  -0.236
   89    HE1  TRP  17           1HE      TRP  17  -7.377   0.569   1.844
   90    HE3  TRP  17           3HE      TRP  17  -3.273   0.667  -1.515
   91    HZ2  TRP  17           2HZ      TRP  17  -5.184   2.138   2.828
   92    HZ3  TRP  17           3HZ      TRP  17  -1.961   2.117  -0.003
   93    HH2  TRP  17           HH       TRP  17  -2.900   2.852   2.160
   94    H    GLU  18           H        GLU  18  -4.176   1.234  -4.135
   95    HA   GLU  18           HA       GLU  18  -3.841  -0.649  -6.441
   96   1HB   GLU  18          1HB       GLU  18  -4.704   2.089  -6.473
   97   2HB   GLU  18          2HB       GLU  18  -3.125   1.990  -7.238
   98   1HG   GLU  18          1HG       GLU  18  -4.718   1.594  -8.974
   99   2HG   GLU  18          2HG       GLU  18  -4.029   0.020  -8.575
  100    H    MET  19           H        MET  19  -1.887  -1.573  -5.540
  101    HA   MET  19           HA       MET  19   0.217  -0.002  -4.392
  102   1HB   MET  19          1HB       MET  19   1.594  -2.002  -4.954
  103   2HB   MET  19          2HB       MET  19   0.132  -2.420  -4.083
  104   1HG   MET  19          1HG       MET  19  -0.756  -2.563  -6.663
  105   2HG   MET  19          2HG       MET  19   0.931  -3.009  -6.885
  106   1HE   MET  19          1HE       MET  19  -1.663  -3.094  -4.365
  107   2HE   MET  19          2HE       MET  19  -1.443  -4.596  -3.474
  108   3HE   MET  19          3HE       MET  19  -2.528  -4.554  -4.862
  109    H    ALA  20           H        ALA  20   1.364   1.495  -5.464
  110    HA   ALA  20           HA       ALA  20   1.993   1.037  -8.353
  111   1HB   ALA  20          1HB       ALA  20   0.643   3.318  -6.937
  112   2HB   ALA  20          2HB       ALA  20   0.245   2.583  -8.490
  113   3HB   ALA  20          3HB       ALA  20   1.626   3.670  -8.358
  114    H    LYS  21           H        LYS  21   3.559   3.320  -8.743
  115    HA   LYS  21           HA       LYS  21   5.624   3.020  -6.605
  116   1HB   LYS  21          2HB       LYS  21   5.748   2.114  -9.197
  117   2HB   LYS  21          1HB       LYS  21   6.539   3.685  -9.327
  118   1HG   LYS  21          1HG       LYS  21   8.272   3.083  -7.906
  119   2HG   LYS  21          2HG       LYS  21   7.291   1.896  -7.047
  120   1HD   LYS  21          1HD       LYS  21   7.392   1.004  -9.719
  121   2HD   LYS  21          2HD       LYS  21   9.036   1.509  -9.324
  122   1HE   LYS  21          1HE       LYS  21   8.572   0.170  -7.079
  123   2HE   LYS  21          2HE       LYS  21   7.375  -0.665  -8.088
  124   1HZ   LYS  21          1HZ       LYS  21  10.282  -0.334  -8.604
  125   2HZ   LYS  21          2HZ       LYS  21   9.188  -0.837  -9.802
  126   3HZ   LYS  21          3HZ       LYS  21   9.426  -1.786  -8.413
  127    H    THR  22           H        THR  22   6.656   4.851  -5.909
  128    HA   THR  22           HA       THR  22   5.976   7.434  -7.267
  129    HB   THR  22           HB       THR  22   4.444   6.972  -5.366
  130    HG1  THR  22           1HG      THR  22   4.953   9.100  -5.700
  131   1HG2  THR  22          1HG2      THR  22   6.261   5.582  -4.151
  132   2HG2  THR  22          2HG2      THR  22   5.234   6.612  -3.152
  133   3HG2  THR  22          3HG2      THR  22   6.864   7.136  -3.574
  134    H    SER  23           H        SER  23   7.250   9.052  -5.361
  135    HA   SER  23           HA       SER  23   9.417   9.958  -5.005
  136   1HB   SER  23          2HB       SER  23   8.914   7.754  -3.505
  137   2HB   SER  23          1HB       SER  23  10.380   7.228  -4.338
  138    HG   SER  23           HG       SER  23  11.358   8.379  -2.894
  139    H    SER  24           H        SER  24  11.902   8.362  -5.212
  140    HA   SER  24           HA       SER  24  12.263   8.574  -8.146
  141   1HB   SER  24          1HB       SER  24  13.725   9.368  -5.991
  142   2HB   SER  24          2HB       SER  24  14.494   7.822  -6.343
  143    HG   SER  24           HG       SER  24  15.478   8.847  -7.867
  144    H    GLY  25           H        GLY  25  11.770   6.143  -5.753
  145   1HA   GLY  25          2HA       GLY  25  11.657   4.004  -7.600
  146   2HA   GLY  25          1HA       GLY  25  13.271   3.991  -6.891
  147    H    GLN  26           H        GLN  26   9.837   3.630  -6.201
  148    HA   GLN  26           HA       GLN  26  10.349   1.787  -4.024
  149   1HB   GLN  26          2HB       GLN  26  10.355   4.623  -3.501
  150   2HB   GLN  26          1HB       GLN  26   8.979   3.887  -2.682
  151   1HG   GLN  26          2HG       GLN  26  11.856   2.943  -2.486
  152   2HG   GLN  26          1HG       GLN  26  10.985   3.843  -1.244
  153   1HE2  GLN  26          1HE2      GLN  26  12.088   1.033  -1.121
  154   2HE2  GLN  26          2HE2      GLN  26  10.760   0.049  -0.738
  155    H    ARG  27           H        ARG  27   8.493   0.547  -3.756
  156    HA   ARG  27           HA       ARG  27   6.142   1.194  -5.375
  157   1HB   ARG  27          1HB       ARG  27   7.305  -1.094  -4.038
  158   2HB   ARG  27          2HB       ARG  27   5.607  -0.953  -3.612
  159   1HG   ARG  27          1HG       ARG  27   5.546  -0.408  -6.298
  160   2HG   ARG  27          2HG       ARG  27   6.828  -1.617  -6.201
  161   1HD   ARG  27          2HD       ARG  27   4.484  -2.277  -4.546
  162   2HD   ARG  27          1HD       ARG  27   4.138  -2.216  -6.285
  163    HE   ARG  27           HE       ARG  27   6.642  -3.577  -5.746
  164   1HH1  ARG  27          1HH2      ARG  27   3.180  -3.950  -5.733
  165   2HH1  ARG  27          2HH2      ARG  27   3.254  -5.660  -5.975
  166   1HH2  ARG  27          1HH1      ARG  27   6.710  -5.799  -6.061
  167   2HH2  ARG  27          2HH1      ARG  27   5.236  -6.701  -6.160
  168    H    TYR  28           H        TYR  28   4.529   2.474  -4.651
  169    HA   TYR  28           HA       TYR  28   4.061   2.575  -1.699
  170   1HB   TYR  28          1HB       TYR  28   3.411   4.843  -1.958
  171   2HB   TYR  28          2HB       TYR  28   4.778   4.685  -3.053
  172    HD1  TYR  28           1HD      TYR  28   1.282   5.531  -2.766
  173    HD2  TYR  28           2HD      TYR  28   4.295   4.194  -5.507
  174    HE1  TYR  28           1HE      TYR  28  -0.131   6.240  -4.681
  175    HE2  TYR  28           2HE      TYR  28   2.877   4.909  -7.416
  176    HH   TYR  28           HH       TYR  28   0.689   5.420  -7.968
  177    H    PHE  29           H        PHE  29   1.631   3.167  -1.329
  178    HA   PHE  29           HA       PHE  29   0.020   1.457  -3.165
  179   1HB   PHE  29          2HB       PHE  29   0.120   1.575  -0.134
  180   2HB   PHE  29          1HB       PHE  29  -1.062   0.630  -1.052
  181    HD1  PHE  29           1HD      PHE  29   2.610   1.087  -0.448
  182    HD2  PHE  29           2HD      PHE  29  -0.456  -1.376  -2.171
  183    HE1  PHE  29           1HE      PHE  29   4.284  -0.682  -0.931
  184    HE2  PHE  29           2HE      PHE  29   1.214  -3.145  -2.639
  185    HZ   PHE  29           HZ       PHE  29   3.585  -2.795  -2.024
  186    H    LEU  30           H        LEU  30  -1.110   2.923  -4.227
  187    HA   LEU  30           HA       LEU  30  -2.076   5.371  -3.008
  188   1HB   LEU  30          1HB       LEU  30  -1.248   4.731  -5.428
  189   2HB   LEU  30          2HB       LEU  30  -2.902   4.197  -5.662
  190    HG   LEU  30           HG       LEU  30  -3.733   6.330  -5.658
  191   1HD1  LEU  30          1HD2      LEU  30  -1.555   6.986  -3.748
  192   2HD1  LEU  30          2HD2      LEU  30  -3.268   7.354  -3.646
  193   3HD1  LEU  30          3HD2      LEU  30  -2.225   8.292  -4.714
  194   1HD2  LEU  30          1HD1      LEU  30  -2.581   7.458  -7.262
  195   2HD2  LEU  30          2HD1      LEU  30  -1.684   5.939  -7.297
  196   3HD2  LEU  30          3HD1      LEU  30  -1.049   7.316  -6.398
  197    H    ASN  31           H        ASN  31  -3.739   5.240  -1.611
  198    HA   ASN  31           HA       ASN  31  -5.811   3.169  -1.822
  199   1HB   ASN  31          1HB       ASN  31  -4.752   4.062   0.300
  200   2HB   ASN  31          2HB       ASN  31  -5.581   5.588  -0.003
  201   1HD2  ASN  31          1HD2      ASN  31  -6.040   3.848   2.291
  202   2HD2  ASN  31          2HD2      ASN  31  -7.641   3.313   2.197
  203    H    HIS  32           H        HIS  32  -7.395   3.494  -3.334
  204    HA   HIS  32           HA       HIS  32  -8.134   6.159  -4.288
  205   1HB   HIS  32          1HB       HIS  32  -8.377   3.400  -5.047
  206   2HB   HIS  32          2HB       HIS  32  -9.979   4.135  -5.079
  207    HD1  HIS  32           1HD      HIS  32 -10.312   6.208  -6.668
  208    HD2  HIS  32           2HD      HIS  32  -6.603   4.339  -7.032
  209    HE1  HIS  32           1HE      HIS  32  -9.270   7.091  -8.802
  210    H    ILE  33           H        ILE  33  -9.117   4.159  -1.680
  211    HA   ILE  33           HA       ILE  33 -11.871   5.235  -1.542
  212    HB   ILE  33           HB       ILE  33 -10.652   3.876   0.819
  213   1HG1  ILE  33          2HG1      ILE  33 -10.975   2.478  -1.856
  214   2HG1  ILE  33          1HG1      ILE  33  -9.545   2.521  -0.831
  215   1HG2  ILE  33          1HG2      ILE  33 -12.808   2.870   0.957
  216   2HG2  ILE  33          2HG2      ILE  33 -13.158   3.210  -0.738
  217   3HG2  ILE  33          3HG2      ILE  33 -13.092   4.529   0.429
  218   1HD1  ILE  33          1HD1      ILE  33 -10.243   0.546   0.006
  219   2HD1  ILE  33          2HD1      ILE  33 -11.846   0.723  -0.709
  220   3HD1  ILE  33          3HD1      ILE  33 -11.488   1.469   0.849
  221    H    ASP  34           H        ASP  34  -8.980   5.249   0.518
  222    HA   ASP  34           HA       ASP  34  -9.920   7.709   1.891
  223   1HB   ASP  34          2HB       ASP  34  -7.568   5.823   2.224
  224   2HB   ASP  34          1HB       ASP  34  -7.844   7.224   3.260
  225    H    GLN  35           H        GLN  35  -8.703   7.368  -1.025
  226    HA   GLN  35           HA       GLN  35  -7.079   8.423  -2.391
  227   1HB   GLN  35          2HB       GLN  35  -7.422  10.917  -2.175
  228   2HB   GLN  35          1HB       GLN  35  -8.909   9.978  -2.289
  229   1HG   GLN  35          2HG       GLN  35  -9.291  10.153   0.082
  230   2HG   GLN  35          1HG       GLN  35  -7.692  10.850   0.345
  231   1HE2  GLN  35          1HE2      GLN  35 -10.023  11.675  -2.256
  232   2HE2  GLN  35          2HE2      GLN  35 -10.206  13.297  -1.790
  233    H    THR  36           H        THR  36  -5.191   7.394  -1.201
  234    HA   THR  36           HA       THR  36  -3.396   9.552  -0.242
  235    HB   THR  36           HB       THR  36  -2.959   7.926   1.810
  236    HG1  THR  36           1HG      THR  36  -5.028   7.032   2.416
  237   1HG2  THR  36          1HG2      THR  36  -3.930   9.586   3.002
  238   2HG2  THR  36          2HG2      THR  36  -5.502   9.323   2.246
  239   3HG2  THR  36          3HG2      THR  36  -4.290  10.317   1.437
  240    H    THR  37           H        THR  37  -1.145   8.706   0.123
  241    HA   THR  37           HA       THR  37  -0.596   6.262  -1.541
  242    HB   THR  37           HB       THR  37   1.397   7.425  -2.314
  243    HG1  THR  37           1HG      THR  37   0.599   9.536  -0.600
  244   1HG2  THR  37          1HG2      THR  37  -0.020   8.324  -3.817
  245   2HG2  THR  37          2HG2      THR  37   0.027   9.786  -2.831
  246   3HG2  THR  37          3HG2      THR  37  -1.260   8.604  -2.595
  247    H    THR  38           H        THR  38  -0.323   4.795   0.245
  248    HA   THR  38           HA       THR  38   1.702   5.599   2.298
  249    HB   THR  38           HB       THR  38  -0.565   4.848   3.023
  250    HG1  THR  38           1HG      THR  38   0.804   4.366   4.570
  251   1HG2  THR  38          1HG2      THR  38  -1.076   3.299   1.226
  252   2HG2  THR  38          2HG2      THR  38  -1.105   2.425   2.756
  253   3HG2  THR  38          3HG2      THR  38   0.280   2.269   1.678
  254    H    TRP  39           H        TRP  39   3.652   4.491   2.404
  255    HA   TRP  39           HA       TRP  39   4.510   2.920   0.151
  256   1HB   TRP  39          2HB       TRP  39   5.765   2.979   2.908
  257   2HB   TRP  39          1HB       TRP  39   6.577   2.759   1.364
  258    HD1  TRP  39           HD       TRP  39   5.313   5.391   3.735
  259    HE1  TRP  39           1HE      TRP  39   5.999   7.725   2.882
  260    HE3  TRP  39           3HE      TRP  39   7.001   4.194  -0.959
  261    HZ2  TRP  39           2HZ      TRP  39   7.121   8.917   0.561
  262    HZ3  TRP  39           3HZ      TRP  39   7.882   5.949  -2.444
  263    HH2  TRP  39           HH       TRP  39   7.942   8.311  -1.702
  264    H    GLN  40           H        GLN  40   3.459   2.059   3.441
  265    HA   GLN  40           HA       GLN  40   3.837  -0.824   2.883
  266   1HB   GLN  40          1HB       GLN  40   2.942   0.833   5.256
  267   2HB   GLN  40          2HB       GLN  40   3.000  -0.929   5.292
  268   1HG   GLN  40          1HG       GLN  40   5.309  -0.992   5.225
  269   2HG   GLN  40          2HG       GLN  40   5.429   0.525   4.334
  270   1HE2  GLN  40          1HE2      GLN  40   5.394   2.526   5.562
  271   2HE2  GLN  40          2HE2      GLN  40   5.532   2.539   7.254
  272    H    ASP  41           H        ASP  41   1.686  -1.918   4.248
  273    HA   ASP  41           HA       ASP  41  -0.624  -1.141   2.503
  274   1HB   ASP  41          2HB       ASP  41  -1.285  -3.536   2.886
  275   2HB   ASP  41          1HB       ASP  41   0.283  -3.367   2.097
  276    HA   PRO  42           HA       PRO  42  -2.959  -0.180   6.108
  277   1HB   PRO  42          1HB       PRO  42  -5.471  -0.991   5.384
  278   2HB   PRO  42          2HB       PRO  42  -4.694   0.458   4.720
  279   1HG   PRO  42          1HG       PRO  42  -4.985  -2.258   3.528
  280   2HG   PRO  42          2HG       PRO  42  -5.107  -0.672   2.757
  281   1HD   PRO  42          1HD       PRO  42  -2.898  -2.272   2.591
  282   2HD   PRO  42          2HD       PRO  42  -2.839  -0.501   2.469
  283    H    ARG  43           H        ARG  43  -3.707  -3.414   4.765
  284    HA   ARG  43           HA       ARG  43  -3.845  -4.443   7.583
  285   1HB   ARG  43          1HB       ARG  43  -5.570  -4.689   5.207
  286   2HB   ARG  43          2HB       ARG  43  -5.231  -6.227   5.999
  287   1HG   ARG  43          1HG       ARG  43  -6.111  -5.460   8.081
  288   2HG   ARG  43          2HG       ARG  43  -6.122  -3.781   7.540
  289   1HD   ARG  43          2HD       ARG  43  -8.224  -4.050   6.738
  290   2HD   ARG  43          1HD       ARG  43  -7.669  -5.376   5.697
  291    HE   ARG  43           HE       ARG  43  -7.918  -6.139   8.508
  292   1HH1  ARG  43          1HH2      ARG  43  -9.571  -5.784   5.466
  293   2HH1  ARG  43          2HH2      ARG  43 -10.787  -6.947   5.865
  294   1HH2  ARG  43          1HH1      ARG  43  -9.508  -7.645   9.005
  295   2HH2  ARG  43          2HH1      ARG  43 -10.753  -7.994   7.853
  296    H    LYS  44           H        LYS  44  -1.344  -4.504   6.819
  297    HA   LYS  44           HA       LYS  44   0.496  -5.879   6.256
  298   1HB   LYS  44          2HB       LYS  44  -1.592  -7.376   7.540
  299   2HB   LYS  44          1HB       LYS  44  -0.803  -8.415   6.353
  300   1HG   LYS  44          1HG       LYS  44   0.535  -8.707   8.262
  301   2HG   LYS  44          2HG       LYS  44   1.413  -7.473   7.359
  302   1HD   LYS  44          1HD       LYS  44   0.902  -5.817   8.863
  303   2HD   LYS  44          2HD       LYS  44  -0.683  -6.499   9.232
  304   1HE   LYS  44          1HE       LYS  44   0.140  -7.640  11.020
  305   2HE   LYS  44          2HE       LYS  44   1.513  -8.254  10.079
  306   1HZ   LYS  44          1HZ       LYS  44   2.253  -6.709  11.803
  307   2HZ   LYS  44          2HZ       LYS  44   1.244  -5.496  11.171
  308   3HZ   LYS  44          3HZ       LYS  44   2.556  -6.072  10.259
  309   1H    ACE  45          1H        ACE  45   9.246  14.862   1.273
  310   2H    ACE  45          2H        ACE  45   8.750  15.685   2.753
  311   3H    ACE  45          3H        ACE  45   7.785  15.851   1.285
  312    HA   PRO  46           HA       PRO  46   9.378  12.104   1.187
  313   1HB   PRO  46          2HB       PRO  46   8.941   9.789   2.573
  314   2HB   PRO  46          1HB       PRO  46  10.282  10.894   2.938
  315   1HG   PRO  46          2HG       PRO  46   7.673  10.562   4.324
  316   2HG   PRO  46          1HG       PRO  46   9.277  10.885   4.997
  317   1HD   PRO  46          2HD       PRO  46   7.350  12.796   4.669
  318   2HD   PRO  46          1HD       PRO  46   9.092  13.140   4.694
  319    H    LEU  47           H        LEU  47   6.389  11.114   2.912
  320    HA   LEU  47           HA       LEU  47   5.287   9.400   0.988
  321   1HB   LEU  47          1HB       LEU  47   4.431   9.815   3.265
  322   2HB   LEU  47          2HB       LEU  47   3.930  11.435   2.785
  323    HG   LEU  47           HG       LEU  47   2.881   9.517   0.909
  324   1HD1  LEU  47          1HD1      LEU  47   1.290   8.441   2.602
  325   2HD1  LEU  47          2HD1      LEU  47   2.429   8.957   3.848
  326   3HD1  LEU  47          3HD1      LEU  47   2.943   7.826   2.595
  327   1HD2  LEU  47          1HD2      LEU  47   1.564  11.297   2.982
  328   2HD2  LEU  47          2HD2      LEU  47   0.747  10.548   1.612
  329   3HD2  LEU  47          3HD2      LEU  47   1.986  11.772   1.337
  330    HA   PRO  48           HA       PRO  48   4.652  12.268  -2.374
  331   1HB   PRO  48          2HB       PRO  48   3.196  10.607  -3.993
  332   2HB   PRO  48          1HB       PRO  48   4.956  10.485  -3.811
  333   1HG   PRO  48          1HG       PRO  48   2.796   8.878  -2.529
  334   2HG   PRO  48          2HG       PRO  48   4.350   8.348  -3.182
  335   1HD   PRO  48          1HD       PRO  48   3.895   8.695  -0.526
  336   2HD   PRO  48          2HD       PRO  48   5.490   8.915  -1.275
  337    HA   PRO  49           HA       PRO  49   0.568  13.660  -1.240
  338   1HB   PRO  49          2HB       PRO  49   0.416  15.799  -2.936
  339   2HB   PRO  49          1HB       PRO  49   1.375  15.818  -1.446
  340   1HG   PRO  49          1HG       PRO  49   2.249  15.465  -4.265
  341   2HG   PRO  49          2HG       PRO  49   3.054  16.302  -2.931
  342   1HD   PRO  49          1HD       PRO  49   3.722  13.786  -3.833
  343   2HD   PRO  49          2HD       PRO  49   4.078  14.400  -2.207
  344    H    TYR  50           H        TYR  50  -1.287  12.680  -1.988
  345    HA   TYR  50           HA       TYR  50  -1.587  11.358  -4.456
  346   1HB   TYR  50          2HB       TYR  50  -2.975  11.302  -2.285
  347   2HB   TYR  50          1HB       TYR  50  -3.828  12.703  -2.932
  348    HD1  TYR  50           1HD      TYR  50  -3.863   9.200  -2.752
  349    HD2  TYR  50           2HD      TYR  50  -4.552  12.421  -5.510
  350    HE1  TYR  50           1HE      TYR  50  -5.262   7.705  -4.150
  351    HE2  TYR  50           2HE      TYR  50  -5.949  10.925  -6.908
  352    HH   TYR  50           HH       TYR  50  -6.874   7.730  -5.821
  Start of MODEL    6
    1    H    PHE   5           H        PHE   5   6.351 -11.450  12.975
    2    HA   PHE   5           HA       PHE   5   4.240 -11.406  15.062
    3   1HB   PHE   5          2HB       PHE   5   6.713  -9.694  14.929
    4   2HB   PHE   5          1HB       PHE   5   5.239  -9.053  15.657
    5    HD1  PHE   5           1HD      PHE   5   7.887 -11.606  15.929
    6    HD2  PHE   5           2HD      PHE   5   4.340  -9.978  17.724
    7    HE1  PHE   5           1HE      PHE   5   8.375 -12.849  18.018
    8    HE2  PHE   5           2HE      PHE   5   4.828 -11.221  19.813
    9    HZ   PHE   5           HZ       PHE   5   6.845 -12.657  19.961
   10    H    GLU   6           H        GLU   6   3.403 -11.558  12.589
   11    HA   GLU   6           HA       GLU   6   2.156  -9.021  11.999
   12   1HB   GLU   6          1HB       GLU   6   4.756  -9.117  11.226
   13   2HB   GLU   6          2HB       GLU   6   3.988  -9.787   9.786
   14   1HG   GLU   6          1HG       GLU   6   2.683  -7.385  10.939
   15   2HG   GLU   6          2HG       GLU   6   4.272  -7.121  10.218
   16    H    ILE   7           H        ILE   7   0.347 -10.553  11.986
   17    HA   ILE   7           HA       ILE   7   0.177 -12.829  10.257
   18    HB   ILE   7           HB       ILE   7  -2.269 -12.543  10.722
   19   1HG1  ILE   7          1HG1      ILE   7  -2.235 -10.447  12.589
   20   2HG1  ILE   7          2HG1      ILE   7  -1.359  -9.822  11.192
   21   1HG2  ILE   7          1HG2      ILE   7  -0.401 -13.384  12.395
   22   2HG2  ILE   7          2HG2      ILE   7  -2.054 -13.139  12.959
   23   3HG2  ILE   7          3HG2      ILE   7  -0.825 -11.915  13.272
   24   1HD1  ILE   7          1HD1      ILE   7  -3.354  -9.457  10.208
   25   2HD1  ILE   7          2HD1      ILE   7  -4.202 -10.311  11.498
   26   3HD1  ILE   7          3HD1      ILE   7  -3.558 -11.207  10.122
   27    HA   PRO   8           HA       PRO   8  -0.174 -10.263   6.549
   28   1HB   PRO   8          1HB       PRO   8   0.125 -12.309   4.761
   29   2HB   PRO   8          2HB       PRO   8   1.492 -11.534   5.581
   30   1HG   PRO   8          1HG       PRO   8   0.148 -14.124   6.162
   31   2HG   PRO   8          2HG       PRO   8   1.861 -13.696   6.259
   32   1HD   PRO   8          1HD       PRO   8   0.185 -13.875   8.426
   33   2HD   PRO   8          2HD       PRO   8   1.657 -12.885   8.385
   34    H    ASP   9           H        ASP   9  -2.133 -12.855   7.691
   35    HA   ASP   9           HA       ASP   9  -4.315 -13.567   7.150
   36   1HB   ASP   9          2HB       ASP   9  -4.517 -11.244   7.986
   37   2HB   ASP   9          1HB       ASP   9  -4.383 -10.651   6.333
   38    H    ASP  10           H        ASP  10  -2.221 -13.639   4.927
   39    HA   ASP  10           HA       ASP  10  -2.163 -14.117   2.617
   40   1HB   ASP  10          2HB       ASP  10  -3.714 -15.826   3.456
   41   2HB   ASP  10          1HB       ASP  10  -5.058 -14.696   3.309
   42    H    VAL  11           H        VAL  11  -3.163 -11.329   3.619
   43    HA   VAL  11           HA       VAL  11  -4.071 -10.429   0.937
   44    HB   VAL  11           HB       VAL  11  -6.091 -10.855   2.231
   45   1HG1  VAL  11          1HG1      VAL  11  -4.858 -10.686   4.454
   46   2HG1  VAL  11          2HG1      VAL  11  -6.455  -9.942   4.418
   47   3HG1  VAL  11          3HG1      VAL  11  -5.011  -8.935   4.310
   48   1HG2  VAL  11          1HG2      VAL  11  -5.903  -7.915   2.583
   49   2HG2  VAL  11          2HG2      VAL  11  -7.093  -8.869   1.699
   50   3HG2  VAL  11          3HG2      VAL  11  -5.525  -8.522   0.970
   51    HA   PRO  12           HA       PRO  12  -1.097  -7.376   2.348
   52   1HB   PRO  12          1HB       PRO  12  -0.721  -6.160  -0.069
   53   2HB   PRO  12          2HB       PRO  12   0.032  -7.704   0.362
   54   1HG   PRO  12          1HG       PRO  12  -2.248  -7.147  -1.428
   55   2HG   PRO  12          2HG       PRO  12  -1.081  -8.473  -1.462
   56   1HD   PRO  12          2HD       PRO  12  -3.720  -8.576  -0.489
   57   2HD   PRO  12          1HD       PRO  12  -2.466  -9.812  -0.279
   58    H    LEU  13           H        LEU  13  -3.372  -6.186  -0.166
   59    HA   LEU  13           HA       LEU  13  -4.136  -3.975   1.716
   60   1HB   LEU  13          1HB       LEU  13  -3.562  -3.950  -1.264
   61   2HB   LEU  13          2HB       LEU  13  -4.268  -2.586  -0.396
   62    HG   LEU  13           HG       LEU  13  -2.119  -3.152   1.193
   63   1HD1  LEU  13          1HD2      LEU  13  -0.386  -4.106   0.073
   64   2HD1  LEU  13          2HD2      LEU  13  -0.761  -3.247  -1.421
   65   3HD1  LEU  13          3HD2      LEU  13  -1.632  -4.724  -1.011
   66   1HD2  LEU  13          1HD1      LEU  13  -2.266  -1.355  -1.245
   67   2HD2  LEU  13          2HD1      LEU  13  -1.011  -1.241  -0.012
   68   3HD2  LEU  13          3HD1      LEU  13  -2.694  -0.928   0.412
   69    HA   PRO  14           HA       PRO  14  -8.239  -5.371   0.864
   70   1HB   PRO  14          2HB       PRO  14  -9.638  -3.117   1.539
   71   2HB   PRO  14          1HB       PRO  14  -8.912  -4.202   2.739
   72   1HG   PRO  14          1HG       PRO  14  -7.939  -1.585   1.707
   73   2HG   PRO  14          2HG       PRO  14  -7.860  -2.251   3.344
   74   1HD   PRO  14          2HD       PRO  14  -5.746  -2.214   1.602
   75   2HD   PRO  14          1HD       PRO  14  -5.926  -3.393   2.917
   76    H    ALA  15           H        ALA  15 -10.362  -3.845  -0.118
   77    HA   ALA  15           HA       ALA  15  -9.695  -3.650  -2.941
   78   1HB   ALA  15          1HB       ALA  15 -12.190  -2.642  -2.727
   79   2HB   ALA  15          2HB       ALA  15 -12.062  -3.421  -1.149
   80   3HB   ALA  15          3HB       ALA  15 -11.857  -4.370  -2.621
   81    H    GLY  16           H        GLY  16 -10.429  -1.612  -4.181
   82   1HA   GLY  16          1HA       GLY  16 -10.196   0.681  -4.615
   83   2HA   GLY  16          2HA       GLY  16 -10.481   0.949  -2.896
   84    H    TRP  17           H        TRP  17  -7.879  -1.191  -3.505
   85    HA   TRP  17           HA       TRP  17  -5.943   1.022  -2.936
   86   1HB   TRP  17          2HB       TRP  17  -6.375  -1.769  -2.017
   87   2HB   TRP  17          1HB       TRP  17  -4.694  -1.266  -2.206
   88    HD1  TRP  17           HD       TRP  17  -7.753  -0.736  -0.075
   89    HE1  TRP  17           1HE      TRP  17  -7.158   0.821   1.898
   90    HE3  TRP  17           3HE      TRP  17  -3.118   0.777  -1.539
   91    HZ2  TRP  17           2HZ      TRP  17  -4.978   2.494   2.734
   92    HZ3  TRP  17           3HZ      TRP  17  -1.811   2.347  -0.154
   93    HH2  TRP  17           HH       TRP  17  -2.720   3.206   1.975
   94    H    GLU  18           H        GLU  18  -4.066   1.164  -4.221
   95    HA   GLU  18           HA       GLU  18  -3.779  -0.881  -6.400
   96   1HB   GLU  18          1HB       GLU  18  -4.389   1.966  -6.514
   97   2HB   GLU  18          2HB       GLU  18  -2.940   1.577  -7.434
   98   1HG   GLU  18          2HG       GLU  18  -4.627   1.209  -9.009
   99   2HG   GLU  18          1HG       GLU  18  -4.366  -0.409  -8.360
  100    H    MET  19           H        MET  19  -1.889  -1.849  -5.430
  101    HA   MET  19           HA       MET  19   0.313  -0.292  -4.408
  102   1HB   MET  19          1HB       MET  19   1.522  -2.450  -4.644
  103   2HB   MET  19          2HB       MET  19  -0.009  -2.649  -3.818
  104   1HG   MET  19          1HG       MET  19  -0.807  -3.047  -6.385
  105   2HG   MET  19          2HG       MET  19   0.860  -3.597  -6.505
  106   1HE   MET  19          1HE       MET  19  -1.823  -3.280  -4.122
  107   2HE   MET  19          2HE       MET  19  -1.490  -4.544  -2.941
  108   3HE   MET  19          3HE       MET  19  -2.666  -4.831  -4.220
  109    H    ALA  20           H        ALA  20   1.703   0.879  -5.613
  110    HA   ALA  20           HA       ALA  20   2.499  -0.057  -8.299
  111   1HB   ALA  20          1HB       ALA  20   0.797   2.342  -7.651
  112   2HB   ALA  20          2HB       ALA  20   0.586   1.150  -8.926
  113   3HB   ALA  20          3HB       ALA  20   1.836   2.377  -9.077
  114    H    LYS  21           H        LYS  21   3.210   3.227  -8.165
  115    HA   LYS  21           HA       LYS  21   5.392   3.020  -6.223
  116   1HB   LYS  21          2HB       LYS  21   7.137   3.289  -8.002
  117   2HB   LYS  21          1HB       LYS  21   6.273   1.756  -8.107
  118   1HG   LYS  21          1HG       LYS  21   5.398   2.276 -10.127
  119   2HG   LYS  21          2HG       LYS  21   4.942   3.894  -9.595
  120   1HD   LYS  21          2HD       LYS  21   6.593   4.606 -10.982
  121   2HD   LYS  21          1HD       LYS  21   7.688   4.076  -9.705
  122   1HE   LYS  21          1HE       LYS  21   7.228   1.706 -11.000
  123   2HE   LYS  21          2HE       LYS  21   7.162   2.856 -12.348
  124   1HZ   LYS  21          1HZ       LYS  21   9.457   2.042 -11.656
  125   2HZ   LYS  21          2HZ       LYS  21   9.262   2.989 -10.259
  126   3HZ   LYS  21          3HZ       LYS  21   9.258   3.721 -11.793
  127    H    THR  22           H        THR  22   6.705   4.976  -6.103
  128    HA   THR  22           HA       THR  22   5.473   7.391  -7.366
  129    HB   THR  22           HB       THR  22   4.361   7.057  -5.224
  130    HG1  THR  22           1HG      THR  22   4.911   9.181  -5.695
  131   1HG2  THR  22          1HG2      THR  22   6.294   5.619  -4.320
  132   2HG2  THR  22          2HG2      THR  22   5.513   6.703  -3.169
  133   3HG2  THR  22          3HG2      THR  22   7.064   7.143  -3.881
  134    H    SER  23           H        SER  23   6.973   9.233  -5.831
  135    HA   SER  23           HA       SER  23   9.422   9.413  -7.210
  136   1HB   SER  23          2HB       SER  23   8.259  10.502  -4.671
  137   2HB   SER  23          1HB       SER  23   9.962  10.812  -5.008
  138    HG   SER  23           HG       SER  23   7.683  11.697  -6.332
  139    H    SER  24           H        SER  24  11.647   9.314  -6.112
  140    HA   SER  24           HA       SER  24  13.343   8.154  -4.939
  141   1HB   SER  24          1HB       SER  24  11.507   8.441  -3.112
  142   2HB   SER  24          2HB       SER  24  11.178   6.734  -3.412
  143    HG   SER  24           HG       SER  24  13.534   6.473  -3.116
  144    H    GLY  25           H        GLY  25  11.080   6.719  -6.925
  145   1HA   GLY  25          1HA       GLY  25  11.092   4.708  -8.126
  146   2HA   GLY  25          2HA       GLY  25  12.774   4.534  -7.625
  147    H    GLN  26           H        GLN  26   9.952   4.762  -5.488
  148    HA   GLN  26           HA       GLN  26  10.553   1.969  -4.560
  149   1HB   GLN  26          2HB       GLN  26   9.637   4.456  -3.079
  150   2HB   GLN  26          1HB       GLN  26   9.761   2.859  -2.341
  151   1HG   GLN  26          2HG       GLN  26  12.182   3.608  -3.803
  152   2HG   GLN  26          1HG       GLN  26  11.806   4.735  -2.502
  153   1HE2  GLN  26          1HE2      GLN  26  13.438   1.876  -3.112
  154   2HE2  GLN  26          2HE2      GLN  26  13.417   1.213  -1.550
  155    H    ARG  27           H        ARG  27   8.690   0.682  -3.959
  156    HA   ARG  27           HA       ARG  27   6.315   1.180  -5.540
  157   1HB   ARG  27          1HB       ARG  27   7.403  -0.906  -3.773
  158   2HB   ARG  27          2HB       ARG  27   5.656  -0.742  -3.650
  159   1HG   ARG  27          1HG       ARG  27   6.135  -0.562  -6.384
  160   2HG   ARG  27          2HG       ARG  27   7.251  -1.817  -5.841
  161   1HD   ARG  27          2HD       ARG  27   4.849  -2.345  -4.471
  162   2HD   ARG  27          1HD       ARG  27   4.370  -1.964  -6.136
  163    HE   ARG  27           HE       ARG  27   6.571  -3.584  -6.483
  164   1HH1  ARG  27          1HH2      ARG  27   3.635  -3.872  -4.636
  165   2HH1  ARG  27          2HH2      ARG  27   3.601  -5.598  -4.752
  166   1HH2  ARG  27          1HH1      ARG  27   6.506  -5.824  -6.618
  167   2HH2  ARG  27          2HH1      ARG  27   5.213  -6.697  -5.865
  168    H    TYR  28           H        TYR  28   4.393   2.038  -4.909
  169    HA   TYR  28           HA       TYR  28   4.022   2.613  -2.016
  170   1HB   TYR  28          1HB       TYR  28   3.586   4.870  -2.343
  171   2HB   TYR  28          2HB       TYR  28   4.830   4.599  -3.546
  172    HD1  TYR  28           1HD      TYR  28   3.000   3.115  -5.573
  173    HD2  TYR  28           2HD      TYR  28   2.531   6.761  -3.359
  174    HE1  TYR  28           1HE      TYR  28   1.576   4.021  -7.368
  175    HE2  TYR  28           2HE      TYR  28   1.084   7.650  -5.151
  176    HH   TYR  28           HH       TYR  28   0.761   7.291  -7.581
  177    H    PHE  29           H        PHE  29   1.696   3.158  -1.609
  178    HA   PHE  29           HA       PHE  29   0.017   1.441  -3.378
  179   1HB   PHE  29          2HB       PHE  29   0.145   1.700  -0.355
  180   2HB   PHE  29          1HB       PHE  29  -1.036   0.710  -1.222
  181    HD1  PHE  29           1HD      PHE  29   2.663   1.248  -0.801
  182    HD2  PHE  29           2HD      PHE  29  -0.454  -1.423  -2.062
  183    HE1  PHE  29           1HE      PHE  29   4.336  -0.542  -1.167
  184    HE2  PHE  29           2HE      PHE  29   1.223  -3.213  -2.419
  185    HZ   PHE  29           HZ       PHE  29   3.618  -2.770  -1.976
  186    H    LEU  30           H        LEU  30  -1.153   2.803  -4.462
  187    HA   LEU  30           HA       LEU  30  -2.050   5.388  -3.489
  188   1HB   LEU  30          1HB       LEU  30  -1.471   4.173  -5.865
  189   2HB   LEU  30          2HB       LEU  30  -3.221   4.082  -5.889
  190    HG   LEU  30           HG       LEU  30  -3.431   6.468  -5.745
  191   1HD1  LEU  30          1HD2      LEU  30  -1.920   7.656  -4.593
  192   2HD1  LEU  30          2HD2      LEU  30  -0.787   7.437  -5.922
  193   3HD1  LEU  30          3HD2      LEU  30  -0.797   6.299  -4.578
  194   1HD2  LEU  30          1HD1      LEU  30  -1.454   5.343  -7.682
  195   2HD2  LEU  30          2HD1      LEU  30  -1.721   7.085  -7.675
  196   3HD2  LEU  30          3HD1      LEU  30  -3.068   5.989  -7.982
  197    H    ASN  31           H        ASN  31  -3.659   5.492  -2.018
  198    HA   ASN  31           HA       ASN  31  -5.758   3.415  -1.883
  199   1HB   ASN  31          1HB       ASN  31  -4.577   4.292   0.121
  200   2HB   ASN  31          2HB       ASN  31  -5.189   5.905  -0.240
  201   1HD2  ASN  31          1HD2      ASN  31  -5.741   4.223   2.151
  202   2HD2  ASN  31          2HD2      ASN  31  -7.418   4.001   2.186
  203    H    HIS  32           H        HIS  32  -7.342   3.732  -3.427
  204    HA   HIS  32           HA       HIS  32  -8.170   6.416  -4.277
  205   1HB   HIS  32          1HB       HIS  32  -8.362   3.657  -5.126
  206   2HB   HIS  32          2HB       HIS  32  -9.951   4.419  -5.190
  207    HD1  HIS  32           1HD      HIS  32  -9.972   6.837  -6.484
  208    HD2  HIS  32           2HD      HIS  32  -6.731   4.332  -7.262
  209    HE1  HIS  32           1HE      HIS  32  -8.905   7.687  -8.618
  210    H    ILE  33           H        ILE  33  -8.901   4.556  -1.577
  211    HA   ILE  33           HA       ILE  33 -11.781   5.264  -1.474
  212    HB   ILE  33           HB       ILE  33 -10.389   4.196   0.937
  213   1HG1  ILE  33          1HG1      ILE  33 -10.558   2.613  -1.647
  214   2HG1  ILE  33          2HG1      ILE  33  -9.128   2.911  -0.663
  215   1HG2  ILE  33          1HG2      ILE  33 -12.432   3.214   1.311
  216   2HG2  ILE  33          2HG2      ILE  33 -12.704   2.873  -0.397
  217   3HG2  ILE  33          3HG2      ILE  33 -12.956   4.503   0.228
  218   1HD1  ILE  33          1HD1      ILE  33 -11.224   0.871  -0.336
  219   2HD1  ILE  33          2HD1      ILE  33 -10.817   1.724   1.154
  220   3HD1  ILE  33          3HD1      ILE  33  -9.560   0.882   0.248
  221    H    ASP  34           H        ASP  34  -8.993   5.668   0.694
  222    HA   ASP  34           HA       ASP  34 -10.198   8.137   1.819
  223   1HB   ASP  34          2HB       ASP  34  -7.940   6.258   2.460
  224   2HB   ASP  34          1HB       ASP  34  -7.961   7.861   3.195
  225    H    GLN  35           H        GLN  35  -8.620   7.628  -0.959
  226    HA   GLN  35           HA       GLN  35  -7.158   8.896  -2.312
  227   1HB   GLN  35          1HB       GLN  35  -8.162  11.036  -0.407
  228   2HB   GLN  35          2HB       GLN  35  -7.524  11.307  -2.030
  229   1HG   GLN  35          2HG       GLN  35  -9.649  11.097  -2.766
  230   2HG   GLN  35          1HG       GLN  35  -9.505   9.379  -2.399
  231   1HE2  GLN  35          1HE2      GLN  35 -11.746   9.195  -1.692
  232   2HE2  GLN  35          2HE2      GLN  35 -12.284   9.902  -0.245
  233    H    THR  36           H        THR  36  -5.319   7.683  -1.163
  234    HA   THR  36           HA       THR  36  -3.421   9.674  -0.080
  235    HB   THR  36           HB       THR  36  -3.126   7.980   1.931
  236    HG1  THR  36           1HG      THR  36  -5.874   7.677   1.355
  237   1HG2  THR  36          1HG2      THR  36  -5.613   9.658   2.042
  238   2HG2  THR  36          2HG2      THR  36  -4.046  10.434   1.813
  239   3HG2  THR  36          3HG2      THR  36  -4.347   9.463   3.254
  240    H    THR  37           H        THR  37  -1.283   8.428   0.530
  241    HA   THR  37           HA       THR  37  -0.926   6.001  -1.179
  242    HB   THR  37           HB       THR  37   0.991   7.008  -2.257
  243    HG1  THR  37           1HG      THR  37   0.484   9.286  -0.648
  244   1HG2  THR  37          1HG2      THR  37  -0.780   9.371  -2.383
  245   2HG2  THR  37          2HG2      THR  37  -1.554   7.824  -2.718
  246   3HG2  THR  37          3HG2      THR  37  -0.170   8.344  -3.681
  247    H    THR  38           H        THR  38   0.111   4.473   0.034
  248    HA   THR  38           HA       THR  38   1.989   5.445   2.175
  249    HB   THR  38           HB       THR  38  -0.132   4.412   2.999
  250    HG1  THR  38           1HG      THR  38   1.837   4.145   4.150
  251   1HG2  THR  38          1HG2      THR  38   0.895   1.921   1.614
  252   2HG2  THR  38          2HG2      THR  38  -0.447   2.909   1.040
  253   3HG2  THR  38          3HG2      THR  38  -0.577   2.057   2.577
  254    H    TRP  39           H        TRP  39   3.840   3.907   2.548
  255    HA   TRP  39           HA       TRP  39   4.714   2.747  -0.046
  256   1HB   TRP  39          1HB       TRP  39   6.294   2.943   2.530
  257   2HB   TRP  39          2HB       TRP  39   6.911   2.883   0.883
  258    HD1  TRP  39           HD       TRP  39   5.145   5.236   3.334
  259    HE1  TRP  39           1HE      TRP  39   5.522   7.668   2.565
  260    HE3  TRP  39           3HE      TRP  39   7.458   4.419  -1.164
  261    HZ2  TRP  39           2HZ      TRP  39   6.651   9.073   0.368
  262    HZ3  TRP  39           3HZ      TRP  39   8.182   6.325  -2.554
  263    HH2  TRP  39           HH       TRP  39   7.778   8.651  -1.804
  264    H    GLN  40           H        GLN  40   3.643   1.766   3.123
  265    HA   GLN  40           HA       GLN  40   4.407  -1.069   2.519
  266   1HB   GLN  40          1HB       GLN  40   4.239   0.648   4.939
  267   2HB   GLN  40          2HB       GLN  40   3.725  -1.026   5.148
  268   1HG   GLN  40          1HG       GLN  40   5.831  -1.864   4.763
  269   2HG   GLN  40          2HG       GLN  40   6.256  -0.570   3.643
  270   1HE2  GLN  40          1HE2      GLN  40   7.175   1.384   4.530
  271   2HE2  GLN  40          2HE2      GLN  40   7.626   1.516   6.161
  272    H    ASP  41           H        ASP  41   2.632  -2.348   4.222
  273    HA   ASP  41           HA       ASP  41   0.062  -1.938   2.797
  274   1HB   ASP  41          1HB       ASP  41   1.205  -4.090   4.600
  275   2HB   ASP  41          2HB       ASP  41  -0.420  -4.162   3.919
  276    HA   PRO  42           HA       PRO  42  -1.570   0.096   6.403
  277   1HB   PRO  42          1HB       PRO  42  -4.213   0.058   5.703
  278   2HB   PRO  42          2HB       PRO  42  -3.041   1.180   4.988
  279   1HG   PRO  42          1HG       PRO  42  -4.168  -1.348   3.892
  280   2HG   PRO  42          2HG       PRO  42  -3.781   0.165   3.063
  281   1HD   PRO  42          1HD       PRO  42  -2.200  -2.075   2.994
  282   2HD   PRO  42          2HD       PRO  42  -1.593  -0.422   2.760
  283    H    ARG  43           H        ARG  43  -3.534  -2.656   5.191
  284    HA   ARG  43           HA       ARG  43  -4.537  -3.383   7.800
  285   1HB   ARG  43          1HB       ARG  43  -4.996  -3.993   5.120
  286   2HB   ARG  43          2HB       ARG  43  -4.400  -5.508   5.798
  287   1HG   ARG  43          2HG       ARG  43  -6.231  -5.775   7.146
  288   2HG   ARG  43          1HG       ARG  43  -6.383  -4.045   7.452
  289   1HD   ARG  43          1HD       ARG  43  -6.905  -4.440   4.677
  290   2HD   ARG  43          2HD       ARG  43  -7.854  -5.644   5.572
  291    HE   ARG  43           HE       ARG  43  -7.903  -2.984   6.788
  292   1HH1  ARG  43          1HH2      ARG  43  -9.349  -5.105   4.437
  293   2HH1  ARG  43          2HH2      ARG  43 -10.866  -4.276   4.458
  294   1HH2  ARG  43          1HH1      ARG  43  -9.882  -1.923   6.799
  295   2HH2  ARG  43          2HH1      ARG  43 -11.168  -2.488   5.784
  296    H    LYS  44           H        LYS  44  -2.853  -3.785   9.286
  297    HA   LYS  44           HA       LYS  44  -1.081  -4.981  10.299
  298   1HB   LYS  44          2HB       LYS  44  -2.139  -7.073   8.369
  299   2HB   LYS  44          1HB       LYS  44  -1.193  -7.396   9.822
  300   1HG   LYS  44          2HG       LYS  44  -3.550  -5.710  10.312
  301   2HG   LYS  44          1HG       LYS  44  -3.952  -7.318   9.710
  302   1HD   LYS  44          2HD       LYS  44  -3.570  -8.147  11.768
  303   2HD   LYS  44          1HD       LYS  44  -1.882  -7.652  11.628
  304   1HE   LYS  44          2HE       LYS  44  -2.482  -6.408  13.499
  305   2HE   LYS  44          1HE       LYS  44  -2.972  -5.257  12.240
  306   1HZ   LYS  44          1HZ       LYS  44  -4.784  -7.415  13.142
  307   2HZ   LYS  44          2HZ       LYS  44  -5.176  -5.966  12.348
  308   3HZ   LYS  44          3HZ       LYS  44  -4.711  -5.943  13.982
  309   1H    ACE  45          1H        ACE  45   5.130  12.514   5.173
  310   2H    ACE  45          2H        ACE  45   6.386  12.522   6.411
  311   3H    ACE  45          3H        ACE  45   5.980  11.022   5.575
  312    HA   PRO  46           HA       PRO  46   8.500  11.436   2.155
  313   1HB   PRO  46          2HB       PRO  46   8.833   8.763   2.624
  314   2HB   PRO  46          1HB       PRO  46  10.117   9.959   2.899
  315   1HG   PRO  46          2HG       PRO  46   8.304   8.645   4.853
  316   2HG   PRO  46          1HG       PRO  46  10.013   9.077   5.010
  317   1HD   PRO  46          2HD       PRO  46   7.972  10.526   6.106
  318   2HD   PRO  46          1HD       PRO  46   9.547  11.213   5.660
  319    H    LEU  47           H        LEU  47   6.400  11.725   1.291
  320    HA   LEU  47           HA       LEU  47   4.782   9.364   0.900
  321   1HB   LEU  47          1HB       LEU  47   4.300   9.888   3.278
  322   2HB   LEU  47          2HB       LEU  47   3.758  11.497   2.802
  323    HG   LEU  47           HG       LEU  47   2.387   9.655   1.138
  324   1HD1  LEU  47          1HD1      LEU  47   2.808   7.842   2.647
  325   2HD1  LEU  47          2HD1      LEU  47   1.166   8.387   2.985
  326   3HD1  LEU  47          3HD1      LEU  47   2.487   8.855   4.054
  327   1HD2  LEU  47          1HD2      LEU  47   0.581  10.497   3.056
  328   2HD2  LEU  47          2HD2      LEU  47   1.022  11.401   1.607
  329   3HD2  LEU  47          3HD2      LEU  47   1.838  11.733   3.136
  330    HA   PRO  48           HA       PRO  48   3.914  12.389  -2.320
  331   1HB   PRO  48          2HB       PRO  48   2.628  10.670  -4.017
  332   2HB   PRO  48          1HB       PRO  48   4.393  10.749  -3.877
  333   1HG   PRO  48          2HG       PRO  48   2.478   8.799  -2.697
  334   2HG   PRO  48          1HG       PRO  48   4.088   8.525  -3.372
  335   1HD   PRO  48          2HD       PRO  48   3.565   8.652  -0.691
  336   2HD   PRO  48          1HD       PRO  48   5.138   9.056  -1.410
  337    HA   PRO  49           HA       PRO  49  -0.242  13.336  -1.122
  338   1HB   PRO  49          1HB       PRO  49  -0.831  15.197  -3.040
  339   2HB   PRO  49          2HB       PRO  49   0.227  15.535  -1.656
  340   1HG   PRO  49          2HG       PRO  49   0.934  14.895  -4.479
  341   2HG   PRO  49          1HG       PRO  49   1.682  16.046  -3.364
  342   1HD   PRO  49          2HD       PRO  49   2.723  13.582  -3.931
  343   2HD   PRO  49          1HD       PRO  49   3.004  14.442  -2.403
  344    H    TYR  50           H        TYR  50  -2.400  13.885  -2.701
  345    HA   TYR  50           HA       TYR  50  -2.581  12.063  -4.993
  346   1HB   TYR  50          2HB       TYR  50  -2.623  10.633  -2.899
  347   2HB   TYR  50          1HB       TYR  50  -4.125  11.445  -2.458
  348    HD1  TYR  50           1HD      TYR  50  -2.580   9.753  -5.435
  349    HD2  TYR  50           2HD      TYR  50  -6.125  10.451  -3.111
  350    HE1  TYR  50           1HE      TYR  50  -3.850   8.214  -6.909
  351    HE2  TYR  50           2HE      TYR  50  -7.394   8.912  -4.584
  352    HH   TYR  50           HH       TYR  50  -5.790   6.978  -7.037
  Start of MODEL    7
    1    H    PHE   5           H        PHE   5  -6.507  -9.057  17.999
    2    HA   PHE   5           HA       PHE   5  -8.251 -11.174  16.776
    3   1HB   PHE   5          2HB       PHE   5  -8.598  -9.541  14.940
    4   2HB   PHE   5          1HB       PHE   5  -9.126  -8.882  16.488
    5    HD1  PHE   5           1HD      PHE   5  -6.299  -8.917  14.060
    6    HD2  PHE   5           2HD      PHE   5  -8.125  -6.934  17.405
    7    HE1  PHE   5           1HE      PHE   5  -4.727  -7.018  13.793
    8    HE2  PHE   5           2HE      PHE   5  -6.552  -5.035  17.137
    9    HZ   PHE   5           HZ       PHE   5  -4.853  -5.077  15.331
   10    H    GLU   6           H        GLU   6  -7.307 -12.329  15.049
   11    HA   GLU   6           HA       GLU   6  -4.391 -11.798  14.581
   12   1HB   GLU   6          1HB       GLU   6  -6.099 -14.266  14.824
   13   2HB   GLU   6          2HB       GLU   6  -4.570 -14.339  13.948
   14   1HG   GLU   6          1HG       GLU   6  -3.476 -13.300  15.989
   15   2HG   GLU   6          2HG       GLU   6  -4.999 -13.552  16.841
   16    H    ILE   7           H        ILE   7  -3.634 -11.998  12.397
   17    HA   ILE   7           HA       ILE   7  -5.776 -12.133  10.301
   18    HB   ILE   7           HB       ILE   7  -4.532 -10.297   9.170
   19   1HG1  ILE   7          2HG1      ILE   7  -2.898 -10.214  11.725
   20   2HG1  ILE   7          1HG1      ILE   7  -2.316 -10.885  10.202
   21   1HG2  ILE   7          1HG2      ILE   7  -6.200 -10.124  11.384
   22   2HG2  ILE   7          2HG2      ILE   7  -5.755  -8.783  10.327
   23   3HG2  ILE   7          3HG2      ILE   7  -4.849  -9.074  11.811
   24   1HD1  ILE   7          1HD1      ILE   7  -2.721  -8.689   9.108
   25   2HD1  ILE   7          2HD1      ILE   7  -1.567  -8.560  10.435
   26   3HD1  ILE   7          3HD1      ILE   7  -3.233  -8.030  10.661
   27    HA   PRO   8           HA       PRO   8  -3.024 -15.106   8.525
   28   1HB   PRO   8          2HB       PRO   8  -3.988 -15.110   5.962
   29   2HB   PRO   8          1HB       PRO   8  -4.833 -15.886   7.313
   30   1HG   PRO   8          1HG       PRO   8  -5.339 -13.252   6.016
   31   2HG   PRO   8          2HG       PRO   8  -6.492 -14.449   6.620
   32   1HD   PRO   8          1HD       PRO   8  -5.821 -12.170   7.971
   33   2HD   PRO   8          2HD       PRO   8  -6.376 -13.657   8.766
   34    H    ASP   9           H        ASP   9  -1.710 -15.214   6.257
   35    HA   ASP   9           HA       ASP   9  -0.533 -12.491   5.790
   36   1HB   ASP   9          2HB       ASP   9   0.692 -14.351   7.195
   37   2HB   ASP   9          1HB       ASP   9   1.024 -15.059   5.614
   38    H    ASP  10           H        ASP  10  -2.606 -13.540   4.154
   39    HA   ASP  10           HA       ASP  10  -1.089 -14.114   1.629
   40   1HB   ASP  10          2HB       ASP  10  -2.215 -16.116   2.612
   41   2HB   ASP  10          1HB       ASP  10  -3.755 -15.261   2.521
   42    H    VAL  11           H        VAL  11  -4.104 -12.855   3.070
   43    HA   VAL  11           HA       VAL  11  -5.160 -11.694   0.669
   44    HB   VAL  11           HB       VAL  11  -5.499 -11.033   3.609
   45   1HG1  VAL  11          1HG1      VAL  11  -7.827 -10.295   2.482
   46   2HG1  VAL  11          2HG1      VAL  11  -6.750  -9.964   1.125
   47   3HG1  VAL  11          3HG1      VAL  11  -6.481  -9.172   2.677
   48   1HG2  VAL  11          1HG2      VAL  11  -7.636 -12.361   3.226
   49   2HG2  VAL  11          2HG2      VAL  11  -6.147 -13.303   3.170
   50   3HG2  VAL  11          3HG2      VAL  11  -6.957 -12.847   1.673
   51    HA   PRO  12           HA       PRO  12  -2.071  -8.395   0.680
   52   1HB   PRO  12          1HB       PRO  12  -2.606  -7.496  -1.850
   53   2HB   PRO  12          2HB       PRO  12  -1.610  -8.923  -1.526
   54   1HG   PRO  12          1HG       PRO  12  -4.442  -8.728  -2.397
   55   2HG   PRO  12          2HG       PRO  12  -3.199  -9.901  -2.850
   56   1HD   PRO  12          2HD       PRO  12  -5.211 -10.369  -1.024
   57   2HD   PRO  12          1HD       PRO  12  -3.677 -11.259  -1.080
   58    H    LEU  13           H        LEU  13  -2.696  -5.997  -0.723
   59    HA   LEU  13           HA       LEU  13  -4.233  -4.520   1.111
   60   1HB   LEU  13          1HB       LEU  13  -3.663  -4.151  -1.847
   61   2HB   LEU  13          2HB       LEU  13  -4.359  -2.889  -0.832
   62    HG   LEU  13           HG       LEU  13  -2.209  -3.691   0.680
   63   1HD1  LEU  13          1HD2      LEU  13  -0.708  -3.350  -1.762
   64   2HD1  LEU  13          2HD2      LEU  13  -1.761  -4.757  -1.903
   65   3HD1  LEU  13          3HD2      LEU  13  -0.604  -4.650  -0.575
   66   1HD2  LEU  13          1HD1      LEU  13  -1.133  -1.611  -0.155
   67   2HD2  LEU  13          2HD1      LEU  13  -2.846  -1.374   0.191
   68   3HD2  LEU  13          3HD1      LEU  13  -2.299  -1.558  -1.475
   69    HA   PRO  14           HA       PRO  14  -8.371  -5.719   0.156
   70   1HB   PRO  14          2HB       PRO  14  -9.717  -3.536   1.111
   71   2HB   PRO  14          1HB       PRO  14  -9.001  -4.773   2.162
   72   1HG   PRO  14          1HG       PRO  14  -7.987  -2.070   1.443
   73   2HG   PRO  14          2HG       PRO  14  -7.901  -2.932   2.984
   74   1HD   PRO  14          2HD       PRO  14  -5.808  -2.721   1.225
   75   2HD   PRO  14          1HD       PRO  14  -5.993  -4.046   2.393
   76    H    ALA  15           H        ALA  15 -10.480  -4.089  -0.621
   77    HA   ALA  15           HA       ALA  15  -9.860  -3.574  -3.409
   78   1HB   ALA  15          1HB       ALA  15 -12.181  -3.521  -1.554
   79   2HB   ALA  15          2HB       ALA  15 -12.036  -4.257  -3.150
   80   3HB   ALA  15          3HB       ALA  15 -12.326  -2.525  -3.003
   81    H    GLY  16           H        GLY  16 -10.502  -1.407  -4.417
   82   1HA   GLY  16          1HA       GLY  16 -10.220   0.914  -4.601
   83   2HA   GLY  16          2HA       GLY  16 -10.504   1.005  -2.865
   84    H    TRP  17           H        TRP  17  -7.953  -1.124  -3.676
   85    HA   TRP  17           HA       TRP  17  -5.967   0.984  -2.911
   86   1HB   TRP  17          1HB       TRP  17  -6.461  -1.866  -2.221
   87   2HB   TRP  17          2HB       TRP  17  -4.772  -1.370  -2.339
   88    HD1  TRP  17           HD       TRP  17  -7.861  -0.989  -0.224
   89    HE1  TRP  17           1HE      TRP  17  -7.292   0.410   1.874
   90    HE3  TRP  17           3HE      TRP  17  -3.193   0.607  -1.489
   91    HZ2  TRP  17           2HZ      TRP  17  -5.120   1.999   2.874
   92    HZ3  TRP  17           3HZ      TRP  17  -1.901   2.057   0.039
   93    HH2  TRP  17           HH       TRP  17  -2.845   2.753   2.211
   94    H    GLU  18           H        GLU  18  -4.066   1.161  -4.159
   95    HA   GLU  18           HA       GLU  18  -3.764  -0.746  -6.450
   96   1HB   GLU  18          1HB       GLU  18  -4.626   1.992  -6.497
   97   2HB   GLU  18          2HB       GLU  18  -3.058   1.882  -7.285
   98   1HG   GLU  18          1HG       GLU  18  -4.634   1.458  -9.009
   99   2HG   GLU  18          2HG       GLU  18  -4.008  -0.128  -8.559
  100    H    MET  19           H        MET  19  -1.801  -1.660  -5.551
  101    HA   MET  19           HA       MET  19   0.317  -0.085  -4.442
  102   1HB   MET  19          1HB       MET  19   1.678  -2.098  -4.996
  103   2HB   MET  19          2HB       MET  19   0.210  -2.503  -4.126
  104   1HG   MET  19          1HG       MET  19  -0.667  -2.627  -6.717
  105   2HG   MET  19          2HG       MET  19   1.011  -3.127  -6.911
  106   1HE   MET  19          1HE       MET  19  -2.224  -3.485  -5.039
  107   2HE   MET  19          2HE       MET  19  -1.213  -3.713  -3.615
  108   3HE   MET  19          3HE       MET  19  -2.170  -5.057  -4.230
  109    H    ALA  20           H        ALA  20   1.479   1.391  -5.530
  110    HA   ALA  20           HA       ALA  20   2.094   0.908  -8.416
  111   1HB   ALA  20          1HB       ALA  20   1.711   3.620  -8.261
  112   2HB   ALA  20          2HB       ALA  20   0.536   3.042  -7.080
  113   3HB   ALA  20          3HB       ALA  20   0.459   2.477  -8.748
  114    H    LYS  21           H        LYS  21   3.564   3.329  -8.766
  115    HA   LYS  21           HA       LYS  21   5.670   3.025  -6.670
  116   1HB   LYS  21          1HB       LYS  21   5.944   3.248  -9.681
  117   2HB   LYS  21          2HB       LYS  21   7.305   3.259  -8.561
  118   1HG   LYS  21          1HG       LYS  21   6.153   1.035  -7.674
  119   2HG   LYS  21          2HG       LYS  21   5.470   1.010  -9.300
  120   1HD   LYS  21          2HD       LYS  21   8.241   1.671  -9.526
  121   2HD   LYS  21          1HD       LYS  21   8.107   0.259  -8.479
  122   1HE   LYS  21          1HE       LYS  21   6.696   0.476 -11.160
  123   2HE   LYS  21          2HE       LYS  21   8.269  -0.315 -10.939
  124   1HZ   LYS  21          1HZ       LYS  21   7.271  -1.707  -9.218
  125   2HZ   LYS  21          2HZ       LYS  21   6.455  -1.908 -10.695
  126   3HZ   LYS  21          3HZ       LYS  21   5.766  -0.964  -9.461
  127    H    THR  22           H        THR  22   6.600   4.863  -5.921
  128    HA   THR  22           HA       THR  22   5.945   7.443  -7.300
  129    HB   THR  22           HB       THR  22   4.364   6.935  -5.440
  130    HG1  THR  22           1HG      THR  22   4.859   9.079  -5.806
  131   1HG2  THR  22          1HG2      THR  22   6.708   7.201  -3.569
  132   2HG2  THR  22          2HG2      THR  22   6.207   5.619  -4.165
  133   3HG2  THR  22          3HG2      THR  22   5.091   6.599  -3.211
  134    H    SER  23           H        SER  23   7.141   9.058  -5.332
  135    HA   SER  23           HA       SER  23   9.285   9.985  -4.903
  136   1HB   SER  23          1HB       SER  23   8.776   7.898  -3.353
  137   2HB   SER  23          2HB       SER  23  10.112   7.174  -4.250
  138    HG   SER  23           HG       SER  23  10.369   8.678  -2.213
  139    H    SER  24           H        SER  24  11.793   8.397  -5.057
  140    HA   SER  24           HA       SER  24  12.249   8.678  -7.970
  141   1HB   SER  24          2HB       SER  24  14.279   7.944  -5.869
  142   2HB   SER  24          1HB       SER  24  14.513   8.881  -7.344
  143    HG   SER  24           HG       SER  24  14.452  10.219  -5.506
  144    H    GLY  25           H        GLY  25  11.662   6.184  -5.668
  145   1HA   GLY  25          2HA       GLY  25  11.579   4.095  -7.561
  146   2HA   GLY  25          1HA       GLY  25  13.190   4.061  -6.844
  147    H    GLN  26           H        GLN  26   9.767   3.598  -6.229
  148    HA   GLN  26           HA       GLN  26  10.256   1.724  -4.089
  149   1HB   GLN  26          2HB       GLN  26  10.128   4.583  -3.495
  150   2HB   GLN  26          1HB       GLN  26   8.906   3.673  -2.606
  151   1HG   GLN  26          2HG       GLN  26  11.580   2.412  -2.683
  152   2HG   GLN  26          1HG       GLN  26  11.505   3.935  -1.797
  153   1HE2  GLN  26          1HE2      GLN  26  11.127   3.529   0.384
  154   2HE2  GLN  26          2HE2      GLN  26  10.097   2.325   0.991
  155    H    ARG  27           H        ARG  27   8.395   0.480  -3.864
  156    HA   ARG  27           HA       ARG  27   6.057   1.184  -5.480
  157   1HB   ARG  27          1HB       ARG  27   7.220  -1.156  -4.288
  158   2HB   ARG  27          2HB       ARG  27   5.559  -1.024  -3.738
  159   1HG   ARG  27          1HG       ARG  27   5.333  -0.365  -6.398
  160   2HG   ARG  27          2HG       ARG  27   6.583  -1.612  -6.424
  161   1HD   ARG  27          2HD       ARG  27   4.982  -2.953  -4.869
  162   2HD   ARG  27          1HD       ARG  27   3.737  -1.824  -5.438
  163    HE   ARG  27           HE       ARG  27   3.885  -2.830  -7.578
  164   1HH1  ARG  27          1HH2      ARG  27   6.643  -3.656  -5.620
  165   2HH1  ARG  27          2HH2      ARG  27   7.266  -4.782  -6.776
  166   1HH2  ARG  27          1HH1      ARG  27   4.715  -4.296  -9.063
  167   2HH2  ARG  27          2HH1      ARG  27   6.183  -5.142  -8.712
  168    H    TYR  28           H        TYR  28   4.557   2.578  -4.693
  169    HA   TYR  28           HA       TYR  28   4.056   2.562  -1.748
  170   1HB   TYR  28          1HB       TYR  28   3.272   4.803  -2.011
  171   2HB   TYR  28          2HB       TYR  28   4.682   4.707  -3.062
  172    HD1  TYR  28           1HD      TYR  28   1.074   5.235  -2.907
  173    HD2  TYR  28           2HD      TYR  28   4.360   4.345  -5.514
  174    HE1  TYR  28           1HE      TYR  28  -0.302   5.864  -4.867
  175    HE2  TYR  28           2HE      TYR  28   2.983   4.985  -7.473
  176    HH   TYR  28           HH       TYR  28   0.250   5.032  -7.852
  177    H    PHE  29           H        PHE  29   1.603   3.132  -1.384
  178    HA   PHE  29           HA       PHE  29   0.041   1.345  -3.182
  179   1HB   PHE  29          2HB       PHE  29   0.151   1.533  -0.155
  180   2HB   PHE  29          1HB       PHE  29  -1.042   0.567  -1.041
  181    HD1  PHE  29           1HD      PHE  29   2.640   1.032  -0.483
  182    HD2  PHE  29           2HD      PHE  29  -0.443  -1.448  -2.154
  183    HE1  PHE  29           1HE      PHE  29   4.310  -0.737  -0.973
  184    HE2  PHE  29           2HE      PHE  29   1.225  -3.217  -2.627
  185    HZ   PHE  29           HZ       PHE  29   3.603  -2.858  -2.042
  186    H    LEU  30           H        LEU  30  -0.984   2.827  -4.309
  187    HA   LEU  30           HA       LEU  30  -1.981   5.326  -3.322
  188   1HB   LEU  30          1HB       LEU  30  -1.302   4.408  -5.684
  189   2HB   LEU  30          2HB       LEU  30  -2.948   3.809  -5.751
  190    HG   LEU  30           HG       LEU  30  -3.828   5.884  -6.046
  191   1HD1  LEU  30          1HD2      LEU  30  -3.002   6.811  -3.864
  192   2HD1  LEU  30          2HD2      LEU  30  -3.036   7.983  -5.177
  193   3HD1  LEU  30          3HD2      LEU  30  -1.515   7.252  -4.697
  194   1HD2  LEU  30          1HD1      LEU  30  -1.265   7.004  -6.894
  195   2HD2  LEU  30          2HD1      LEU  30  -2.745   6.743  -7.816
  196   3HD2  LEU  30          3HD1      LEU  30  -1.631   5.404  -7.540
  197    H    ASN  31           H        ASN  31  -3.557   5.293  -1.756
  198    HA   ASN  31           HA       ASN  31  -5.637   3.225  -1.682
  199   1HB   ASN  31          1HB       ASN  31  -4.562   4.160   0.337
  200   2HB   ASN  31          2HB       ASN  31  -5.157   5.764  -0.085
  201   1HD2  ASN  31          1HD2      ASN  31  -5.774   3.854   2.251
  202   2HD2  ASN  31          2HD2      ASN  31  -7.464   3.761   2.265
  203    H    HIS  32           H        HIS  32  -7.200   3.443  -3.260
  204    HA   HIS  32           HA       HIS  32  -8.095   6.069  -4.214
  205   1HB   HIS  32          1HB       HIS  32  -8.115   3.331  -5.027
  206   2HB   HIS  32          2HB       HIS  32  -9.787   3.890  -4.996
  207    HD1  HIS  32           1HD      HIS  32 -10.127   6.340  -6.246
  208    HD2  HIS  32           2HD      HIS  32  -6.777   4.102  -7.318
  209    HE1  HIS  32           1HE      HIS  32  -9.324   7.269  -8.462
  210    H    ILE  33           H        ILE  33  -8.766   4.368  -1.423
  211    HA   ILE  33           HA       ILE  33 -11.676   4.962  -1.369
  212    HB   ILE  33           HB       ILE  33 -10.274   4.058   1.097
  213   1HG1  ILE  33          2HG1      ILE  33 -10.336   2.345  -1.409
  214   2HG1  ILE  33          1HG1      ILE  33  -8.932   2.759  -0.431
  215   1HG2  ILE  33          1HG2      ILE  33 -12.226   2.676   1.306
  216   2HG2  ILE  33          2HG2      ILE  33 -12.624   2.874  -0.399
  217   3HG2  ILE  33          3HG2      ILE  33 -12.770   4.242   0.705
  218   1HD1  ILE  33          1HD1      ILE  33 -11.196   0.890   0.271
  219   2HD1  ILE  33          2HD1      ILE  33 -10.129   1.561   1.505
  220   3HD1  ILE  33          3HD1      ILE  33  -9.468   0.545   0.223
  221    H    ASP  34           H        ASP  34  -8.866   5.591   0.720
  222    HA   ASP  34           HA       ASP  34 -10.166   8.050   1.761
  223   1HB   ASP  34          1HB       ASP  34  -7.929   6.213   2.487
  224   2HB   ASP  34          2HB       ASP  34  -7.799   7.884   3.036
  225    H    GLN  35           H        GLN  35  -8.614   7.476  -1.016
  226    HA   GLN  35           HA       GLN  35  -7.230   8.739  -2.453
  227   1HB   GLN  35          1HB       GLN  35  -8.271  10.920  -0.615
  228   2HB   GLN  35          2HB       GLN  35  -7.675  11.146  -2.259
  229   1HG   GLN  35          2HG       GLN  35  -9.728   9.081  -2.135
  230   2HG   GLN  35          1HG       GLN  35 -10.319  10.625  -1.520
  231   1HE2  GLN  35          1HE2      GLN  35  -8.692   9.151  -4.361
  232   2HE2  GLN  35          2HE2      GLN  35  -9.226  10.320  -5.469
  233    H    THR  36           H        THR  36  -5.341   7.623  -1.256
  234    HA   THR  36           HA       THR  36  -3.475   9.724  -0.340
  235    HB   THR  36           HB       THR  36  -3.100   8.167   1.768
  236    HG1  THR  36           1HG      THR  36  -4.514   6.621   1.737
  237   1HG2  THR  36          1HG2      THR  36  -5.624   9.664   2.080
  238   2HG2  THR  36          2HG2      THR  36  -4.310  10.581   1.346
  239   3HG2  THR  36          3HG2      THR  36  -4.092   9.847   2.934
  240    H    THR  37           H        THR  37  -1.305   8.555   0.332
  241    HA   THR  37           HA       THR  37  -0.903   6.087  -1.321
  242    HB   THR  37           HB       THR  37   1.101   7.110  -2.265
  243    HG1  THR  37           1HG      THR  37   1.693   8.351  -0.481
  244   1HG2  THR  37          1HG2      THR  37  -1.492   7.928  -2.811
  245   2HG2  THR  37          2HG2      THR  37  -0.078   8.230  -3.820
  246   3HG2  THR  37          3HG2      THR  37  -0.606   9.445  -2.656
  247    H    THR  38           H        THR  38  -0.207   4.576   0.167
  248    HA   THR  38           HA       THR  38   1.735   5.517   2.264
  249    HB   THR  38           HB       THR  38  -0.469   4.736   3.099
  250    HG1  THR  38           1HG      THR  38   0.389   3.120   4.487
  251   1HG2  THR  38          1HG2      THR  38   0.306   2.180   1.674
  252   2HG2  THR  38          2HG2      THR  38  -1.059   3.230   1.290
  253   3HG2  THR  38          3HG2      THR  38  -1.040   2.327   2.805
  254    H    TRP  39           H        TRP  39   3.697   4.404   2.370
  255    HA   TRP  39           HA       TRP  39   4.541   2.854   0.099
  256   1HB   TRP  39          1HB       TRP  39   5.824   2.873   2.843
  257   2HB   TRP  39          2HB       TRP  39   6.619   2.694   1.284
  258    HD1  TRP  39           HD       TRP  39   5.404   5.255   3.742
  259    HE1  TRP  39           1HE      TRP  39   6.043   7.614   2.929
  260    HE3  TRP  39           3HE      TRP  39   6.945   4.194  -1.034
  261    HZ2  TRP  39           2HZ      TRP  39   7.071   8.879   0.605
  262    HZ3  TRP  39           3HZ      TRP  39   7.761   5.995  -2.500
  263    HH2  TRP  39           HH       TRP  39   7.823   8.340  -1.699
  264    H    GLN  40           H        GLN  40   3.278   1.983   3.279
  265    HA   GLN  40           HA       GLN  40   3.768  -0.903   2.758
  266   1HB   GLN  40          2HB       GLN  40   3.525   0.874   5.020
  267   2HB   GLN  40          1HB       GLN  40   2.370  -0.448   5.182
  268   1HG   GLN  40          1HG       GLN  40   4.025  -2.060   5.292
  269   2HG   GLN  40          2HG       GLN  40   5.150  -1.120   4.314
  270   1HE2  GLN  40          1HE2      GLN  40   4.003  -1.688   7.592
  271   2HE2  GLN  40          2HE2      GLN  40   5.134  -0.683   8.363
  272    H    ASP  41           H        ASP  41   1.522  -1.894   4.191
  273    HA   ASP  41           HA       ASP  41  -0.770  -1.058   2.442
  274   1HB   ASP  41          1HB       ASP  41  -1.330  -3.503   2.409
  275   2HB   ASP  41          2HB       ASP  41   0.230  -3.148   1.667
  276    HA   PRO  42           HA       PRO  42  -3.088  -0.820   6.178
  277   1HB   PRO  42          1HB       PRO  42  -5.579  -1.591   5.342
  278   2HB   PRO  42          2HB       PRO  42  -4.865  -0.020   4.931
  279   1HG   PRO  42          2HG       PRO  42  -5.071  -2.502   3.294
  280   2HG   PRO  42          1HG       PRO  42  -5.261  -0.812   2.807
  281   1HD   PRO  42          2HD       PRO  42  -2.999  -2.275   2.353
  282   2HD   PRO  42          1HD       PRO  42  -3.007  -0.509   2.534
  283    H    ARG  43           H        ARG  43  -5.195  -2.416   7.067
  284    HA   ARG  43           HA       ARG  43  -5.605  -4.456   8.173
  285   1HB   ARG  43          1HB       ARG  43  -4.648  -5.008   5.452
  286   2HB   ARG  43          2HB       ARG  43  -4.422  -6.362   6.560
  287   1HG   ARG  43          2HG       ARG  43  -6.763  -6.381   7.131
  288   2HG   ARG  43          1HG       ARG  43  -7.040  -4.862   6.279
  289   1HD   ARG  43          1HD       ARG  43  -7.690  -6.260   4.568
  290   2HD   ARG  43          2HD       ARG  43  -5.946  -6.392   4.281
  291    HE   ARG  43           HE       ARG  43  -6.054  -8.589   5.139
  292   1HH1  ARG  43          1HH2      ARG  43  -8.771  -6.712   6.243
  293   2HH1  ARG  43          2HH2      ARG  43  -9.510  -8.052   7.051
  294   1HH2  ARG  43          1HH1      ARG  43  -7.034 -10.313   6.194
  295   2HH2  ARG  43          2HH1      ARG  43  -8.534 -10.075   7.024
  296    H    LYS  44           H        LYS  44  -2.618  -5.659   6.758
  297    HA   LYS  44           HA       LYS  44  -1.516  -6.643   9.156
  298   1HB   LYS  44          2HB       LYS  44  -0.520  -5.841   6.450
  299   2HB   LYS  44          1HB       LYS  44   0.677  -6.217   7.689
  300   1HG   LYS  44          1HG       LYS  44   0.335  -8.339   6.833
  301   2HG   LYS  44          2HG       LYS  44  -0.921  -8.320   8.072
  302   1HD   LYS  44          2HD       LYS  44  -2.615  -8.205   6.539
  303   2HD   LYS  44          1HD       LYS  44  -1.689  -7.182   5.441
  304   1HE   LYS  44          2HE       LYS  44  -1.524  -9.093   4.182
  305   2HE   LYS  44          1HE       LYS  44  -0.268  -9.549   5.349
  306   1HZ   LYS  44          1HZ       LYS  44  -1.962 -11.260   5.258
  307   2HZ   LYS  44          2HZ       LYS  44  -3.182 -10.120   5.572
  308   3HZ   LYS  44          3HZ       LYS  44  -2.028 -10.484   6.764
  309   1H    ACE  45          1H        ACE  45   8.093  15.215   3.147
  310   2H    ACE  45          2H        ACE  45   6.831  16.412   2.856
  311   3H    ACE  45          3H        ACE  45   7.957  15.986   1.567
  312    HA   PRO  46           HA       PRO  46   8.279  13.475   0.480
  313   1HB   PRO  46          2HB       PRO  46   8.954  10.921   1.187
  314   2HB   PRO  46          1HB       PRO  46   9.658  12.353   1.963
  315   1HG   PRO  46          2HG       PRO  46   7.485  10.560   2.915
  316   2HG   PRO  46          1HG       PRO  46   8.794  11.333   3.825
  317   1HD   PRO  46          2HD       PRO  46   6.233  12.257   3.807
  318   2HD   PRO  46          1HD       PRO  46   7.649  13.296   4.064
  319    H    LEU  47           H        LEU  47   5.856  11.083   1.561
  320    HA   LEU  47           HA       LEU  47   5.698   9.568  -0.845
  321   1HB   LEU  47          1HB       LEU  47   3.442   8.970   0.096
  322   2HB   LEU  47          2HB       LEU  47   4.747   8.849   1.276
  323    HG   LEU  47           HG       LEU  47   3.600  11.531   1.194
  324   1HD1  LEU  47          1HD2      LEU  47   1.431  10.951   2.179
  325   2HD1  LEU  47          2HD2      LEU  47   1.790   9.233   2.002
  326   3HD1  LEU  47          3HD2      LEU  47   1.567  10.237   0.571
  327   1HD2  LEU  47          1HD1      LEU  47   4.028  11.407   3.440
  328   2HD2  LEU  47          2HD1      LEU  47   4.997  10.014   2.961
  329   3HD2  LEU  47          3HD1      LEU  47   3.362   9.781   3.580
  330    HA   PRO  48           HA       PRO  48   3.540  12.185  -3.636
  331   1HB   PRO  48          2HB       PRO  48   1.810  10.456  -4.867
  332   2HB   PRO  48          1HB       PRO  48   3.558  10.455  -5.171
  333   1HG   PRO  48          2HG       PRO  48   1.929   8.678  -3.414
  334   2HG   PRO  48          1HG       PRO  48   3.273   8.270  -4.487
  335   1HD   PRO  48          1HD       PRO  48   3.545   8.527  -1.794
  336   2HD   PRO  48          2HD       PRO  48   4.859   8.878  -2.935
  337    HA   PRO  49           HA       PRO  49  -0.225  13.052  -1.358
  338   1HB   PRO  49          1HB       PRO  49  -0.628  15.567  -2.341
  339   2HB   PRO  49          2HB       PRO  49   0.579  15.203  -1.095
  340   1HG   PRO  49          1HG       PRO  49   0.942  15.814  -3.954
  341   2HG   PRO  49          2HG       PRO  49   2.052  16.045  -2.601
  342   1HD   PRO  49          2HD       PRO  49   2.104  13.968  -4.523
  343   2HD   PRO  49          1HD       PRO  49   3.094  14.095  -3.056
  344    H    TYR  50           H        TYR  50  -0.565  11.401  -3.622
  345    HA   TYR  50           HA       TYR  50  -2.079  10.861  -5.354
  346   1HB   TYR  50          2HB       TYR  50  -3.333  11.715  -3.016
  347   2HB   TYR  50          1HB       TYR  50  -4.178  12.593  -4.292
  348    HD1  TYR  50           1HD      TYR  50  -4.838  11.180  -6.409
  349    HD2  TYR  50           2HD      TYR  50  -3.937   9.499  -2.561
  350    HE1  TYR  50           1HE      TYR  50  -6.053   9.110  -7.031
  351    HE2  TYR  50           2HE      TYR  50  -5.152   7.429  -3.183
  352    HH   TYR  50           HH       TYR  50  -5.715   6.348  -5.816
  Start of MODEL    8
    1    H    PHE   5           H        PHE   5   6.428 -11.109  14.825
    2    HA   PHE   5           HA       PHE   5   5.829 -13.734  13.861
    3   1HB   PHE   5          2HB       PHE   5   4.260 -11.136  13.764
    4   2HB   PHE   5          1HB       PHE   5   3.566 -12.746  13.573
    5    HD1  PHE   5           1HD      PHE   5   4.063 -14.457  15.491
    6    HD2  PHE   5           2HD      PHE   5   4.433 -10.198  15.905
    7    HE1  PHE   5           1HE      PHE   5   3.902 -14.683  17.956
    8    HE2  PHE   5           2HE      PHE   5   4.272 -10.423  18.369
    9    HZ   PHE   5           HZ       PHE   5   4.007 -12.666  19.395
   10    H    GLU   6           H        GLU   6   6.875 -14.254  11.903
   11    HA   GLU   6           HA       GLU   6   6.970 -12.432   9.635
   12   1HB   GLU   6          1HB       GLU   6   8.286 -14.693  10.489
   13   2HB   GLU   6          2HB       GLU   6   7.285 -15.329   9.182
   14   1HG   GLU   6          1HG       GLU   6   8.154 -13.192   7.894
   15   2HG   GLU   6          2HG       GLU   6   9.462 -13.266   9.075
   16    H    ILE   7           H        ILE   7   5.165 -11.979   8.436
   17    HA   ILE   7           HA       ILE   7   2.983 -14.007   8.272
   18    HB   ILE   7           HB       ILE   7   3.169 -11.052   7.602
   19   1HG1  ILE   7          1HG1      ILE   7   1.467 -12.283   9.752
   20   2HG1  ILE   7          2HG1      ILE   7   3.179 -12.002  10.060
   21   1HG2  ILE   7          1HG2      ILE   7   0.679 -12.769   7.733
   22   2HG2  ILE   7          2HG2      ILE   7   1.522 -12.425   6.222
   23   3HG2  ILE   7          3HG2      ILE   7   0.816 -11.108   7.158
   24   1HD1  ILE   7          1HD1      ILE   7   0.982 -10.080   9.912
   25   2HD1  ILE   7          2HD1      ILE   7   2.330  -9.634   8.865
   26   3HD1  ILE   7          3HD1      ILE   7   2.599  -9.882  10.590
   27    HA   PRO   8           HA       PRO   8   4.167 -14.909   4.107
   28   1HB   PRO   8          1HB       PRO   8   1.803 -15.948   3.199
   29   2HB   PRO   8          2HB       PRO   8   2.895 -16.831   4.280
   30   1HG   PRO   8          2HG       PRO   8   0.392 -15.340   4.908
   31   2HG   PRO   8          1HG       PRO   8   0.988 -16.867   5.571
   32   1HD   PRO   8          1HD       PRO   8   1.179 -14.472   6.871
   33   2HD   PRO   8          2HD       PRO   8   2.309 -15.819   7.123
   34    H    ASP   9           H        ASP   9   2.686 -14.691   1.819
   35    HA   ASP   9           HA       ASP   9   1.855 -11.806   1.792
   36   1HB   ASP   9          2HB       ASP   9   3.987 -12.902   0.579
   37   2HB   ASP   9          1HB       ASP   9   2.777 -13.244  -0.657
   38    H    ASP  10           H        ASP  10  -0.211 -13.399   2.435
   39    HA   ASP  10           HA       ASP  10  -1.552 -14.528   0.084
   40   1HB   ASP  10          2HB       ASP  10  -1.884 -14.345   3.010
   41   2HB   ASP  10          1HB       ASP  10  -3.403 -14.346   2.112
   42    H    VAL  11           H        VAL  11  -3.077 -12.312   2.397
   43    HA   VAL  11           HA       VAL  11  -4.291 -10.840   0.122
   44    HB   VAL  11           HB       VAL  11  -4.785 -10.761   3.114
   45   1HG1  VAL  11          1HG1      VAL  11  -6.606  -9.405   2.683
   46   2HG1  VAL  11          2HG1      VAL  11  -6.815 -10.027   1.047
   47   3HG1  VAL  11          3HG1      VAL  11  -5.534  -8.865   1.392
   48   1HG2  VAL  11          1HG2      VAL  11  -6.828 -12.136   2.402
   49   2HG2  VAL  11          2HG2      VAL  11  -5.277 -12.975   2.376
   50   3HG2  VAL  11          3HG2      VAL  11  -5.990 -12.393   0.871
   51    HA   PRO  12           HA       PRO  12  -1.160  -7.746   1.163
   52   1HB   PRO  12          2HB       PRO  12  -1.307  -6.387  -1.208
   53   2HB   PRO  12          1HB       PRO  12  -0.357  -7.868  -0.993
   54   1HG   PRO  12          2HG       PRO  12  -2.968  -7.469  -2.329
   55   2HG   PRO  12          1HG       PRO  12  -1.692  -8.641  -2.668
   56   1HD   PRO  12          1HD       PRO  12  -4.070  -9.152  -1.296
   57   2HD   PRO  12          2HD       PRO  12  -2.634 -10.193  -1.315
   58    H    LEU  13           H        LEU  13  -3.342  -6.070  -1.067
   59    HA   LEU  13           HA       LEU  13  -4.295  -4.411   1.241
   60   1HB   LEU  13          1HB       LEU  13  -3.769  -3.746  -1.675
   61   2HB   LEU  13          2HB       LEU  13  -4.423  -2.608  -0.496
   62    HG   LEU  13           HG       LEU  13  -2.276  -3.403   0.891
   63   1HD1  LEU  13          1HD1      LEU  13  -0.703  -3.292  -1.500
   64   2HD1  LEU  13          2HD1      LEU  13  -1.888  -4.586  -1.677
   65   3HD1  LEU  13          3HD1      LEU  13  -0.780  -4.585  -0.304
   66   1HD2  LEU  13          1HD2      LEU  13  -2.272  -1.388  -1.376
   67   2HD2  LEU  13          2HD2      LEU  13  -1.068  -1.448  -0.090
   68   3HD2  LEU  13          3HD2      LEU  13  -2.751  -1.085   0.294
   69    HA   PRO  14           HA       PRO  14  -8.384  -5.609   0.131
   70   1HB   PRO  14          2HB       PRO  14  -9.807  -3.415   0.939
   71   2HB   PRO  14          1HB       PRO  14  -9.114  -4.593   2.068
   72   1HG   PRO  14          1HG       PRO  14  -8.112  -1.905   1.273
   73   2HG   PRO  14          2HG       PRO  14  -8.088  -2.693   2.856
   74   1HD   PRO  14          2HD       PRO  14  -5.915  -2.529   1.199
   75   2HD   PRO  14          1HD       PRO  14  -6.144  -3.814   2.403
   76    H    ALA  15           H        ALA  15 -10.484  -4.030  -0.790
   77    HA   ALA  15           HA       ALA  15  -9.756  -3.618  -3.571
   78   1HB   ALA  15          1HB       ALA  15 -12.147  -3.062  -3.756
   79   2HB   ALA  15          2HB       ALA  15 -12.259  -2.920  -2.002
   80   3HB   ALA  15          3HB       ALA  15 -11.933  -4.487  -2.741
   81    H    GLY  16           H        GLY  16 -10.442  -1.494  -4.675
   82   1HA   GLY  16          1HA       GLY  16 -10.185   0.823  -4.940
   83   2HA   GLY  16          2HA       GLY  16 -10.522   0.970  -3.215
   84    H    TRP  17           H        TRP  17  -7.911  -1.138  -3.892
   85    HA   TRP  17           HA       TRP  17  -5.985   1.019  -3.112
   86   1HB   TRP  17          1HB       TRP  17  -6.462  -1.821  -2.392
   87   2HB   TRP  17          2HB       TRP  17  -4.772  -1.322  -2.494
   88    HD1  TRP  17           HD       TRP  17  -7.891  -0.913  -0.430
   89    HE1  TRP  17           1HE      TRP  17  -7.351   0.517   1.655
   90    HE3  TRP  17           3HE      TRP  17  -3.213   0.671  -1.659
   91    HZ2  TRP  17           2HZ      TRP  17  -5.194   2.128   2.658
   92    HZ3  TRP  17           3HZ      TRP  17  -1.944   2.149  -0.142
   93    HH2  TRP  17           HH       TRP  17  -2.913   2.878   2.008
   94    H    GLU  18           H        GLU  18  -4.051   1.217  -4.305
   95    HA   GLU  18           HA       GLU  18  -3.689  -0.683  -6.597
   96   1HB   GLU  18          1HB       GLU  18  -4.342   2.155  -6.576
   97   2HB   GLU  18          2HB       GLU  18  -2.847   1.848  -7.454
   98   1HG   GLU  18          2HG       GLU  18  -4.308   1.427  -9.170
   99   2HG   GLU  18          1HG       GLU  18  -4.335  -0.174  -8.430
  100    H    MET  19           H        MET  19  -1.809  -1.683  -5.657
  101    HA   MET  19           HA       MET  19   0.328  -0.150  -4.466
  102   1HB   MET  19          1HB       MET  19   1.577  -2.274  -4.756
  103   2HB   MET  19          2HB       MET  19   0.019  -2.535  -3.999
  104   1HG   MET  19          1HG       MET  19  -0.653  -2.806  -6.630
  105   2HG   MET  19          2HG       MET  19   1.011  -3.373  -6.669
  106   1HE   MET  19          1HE       MET  19  -2.423  -4.986  -4.113
  107   2HE   MET  19          2HE       MET  19  -2.251  -3.399  -4.857
  108   3HE   MET  19          3HE       MET  19  -1.344  -3.781  -3.398
  109    H    ALA  20           H        ALA  20   1.688   1.122  -5.560
  110    HA   ALA  20           HA       ALA  20   2.630   0.363  -8.261
  111   1HB   ALA  20          1HB       ALA  20   0.856   1.628  -9.034
  112   2HB   ALA  20          2HB       ALA  20   1.958   2.962  -8.714
  113   3HB   ALA  20          3HB       ALA  20   0.725   2.539  -7.532
  114    H    LYS  21           H        LYS  21   3.801   3.154  -8.572
  115    HA   LYS  21           HA       LYS  21   5.601   3.110  -6.195
  116   1HB   LYS  21          1HB       LYS  21   7.508   3.320  -7.730
  117   2HB   LYS  21          2HB       LYS  21   6.560   1.887  -8.127
  118   1HG   LYS  21          1HG       LYS  21   5.307   3.794  -9.640
  119   2HG   LYS  21          2HG       LYS  21   6.976   4.362  -9.684
  120   1HD   LYS  21          2HD       LYS  21   7.441   1.763 -10.129
  121   2HD   LYS  21          1HD       LYS  21   5.798   1.840 -10.766
  122   1HE   LYS  21          2HE       LYS  21   6.897   4.096 -11.878
  123   2HE   LYS  21          1HE       LYS  21   8.290   2.996 -11.861
  124   1HZ   LYS  21          1HZ       LYS  21   6.650   2.820 -13.812
  125   2HZ   LYS  21          2HZ       LYS  21   5.608   2.069 -12.700
  126   3HZ   LYS  21          3HZ       LYS  21   7.123   1.382 -13.046
  127    H    THR  22           H        THR  22   6.796   5.053  -5.808
  128    HA   THR  22           HA       THR  22   5.731   7.510  -7.149
  129    HB   THR  22           HB       THR  22   4.383   7.092  -5.155
  130    HG1  THR  22           1HG      THR  22   4.964   9.236  -5.516
  131   1HG2  THR  22          1HG2      THR  22   5.339   6.746  -2.977
  132   2HG2  THR  22          2HG2      THR  22   6.954   7.135  -3.569
  133   3HG2  THR  22          3HG2      THR  22   6.170   5.637  -4.069
  134    H    SER  23           H        SER  23   6.999   9.356  -5.546
  135    HA   SER  23           HA       SER  23   9.090  10.461  -5.438
  136   1HB   SER  23          1HB       SER  23   9.228   9.254  -3.415
  137   2HB   SER  23          2HB       SER  23   9.443   7.713  -4.248
  138    HG   SER  23           HG       SER  23  11.469   8.121  -3.836
  139    H    SER  24           H        SER  24  10.772   7.400  -5.890
  140    HA   SER  24           HA       SER  24  11.262   7.913  -8.750
  141   1HB   SER  24          2HB       SER  24  13.008   8.746  -6.556
  142   2HB   SER  24          1HB       SER  24  13.839   7.734  -7.735
  143    HG   SER  24           HG       SER  24  13.959   9.533  -8.811
  144    H    GLY  25           H        GLY  25  12.179   6.075  -5.865
  145   1HA   GLY  25          2HA       GLY  25  12.026   3.584  -7.469
  146   2HA   GLY  25          1HA       GLY  25  13.526   3.903  -6.598
  147    H    GLN  26           H        GLN  26   9.999   3.672  -6.057
  148    HA   GLN  26           HA       GLN  26  10.393   1.957  -3.725
  149   1HB   GLN  26          2HB       GLN  26  10.341   4.849  -3.489
  150   2HB   GLN  26          1HB       GLN  26   8.983   4.137  -2.619
  151   1HG   GLN  26          2HG       GLN  26  11.892   3.329  -2.311
  152   2HG   GLN  26          1HG       GLN  26  10.969   4.300  -1.164
  153   1HE2  GLN  26          1HE2      GLN  26  11.754   2.225   0.178
  154   2HE2  GLN  26          2HE2      GLN  26  10.638   0.946   0.233
  155    H    ARG  27           H        ARG  27   8.576   0.658  -3.655
  156    HA   ARG  27           HA       ARG  27   6.265   1.325  -5.319
  157   1HB   ARG  27          1HB       ARG  27   7.345  -0.994  -3.887
  158   2HB   ARG  27          2HB       ARG  27   5.595  -0.870  -3.754
  159   1HG   ARG  27          2HG       ARG  27   5.784  -2.011  -5.769
  160   2HG   ARG  27          1HG       ARG  27   5.738  -0.336  -6.330
  161   1HD   ARG  27          1HD       ARG  27   7.949  -0.366  -6.978
  162   2HD   ARG  27          2HD       ARG  27   8.430  -1.428  -5.640
  163    HE   ARG  27           HE       ARG  27   7.563  -2.306  -8.267
  164   1HH1  ARG  27          1HH2      ARG  27   7.473  -3.062  -4.871
  165   2HH1  ARG  27          2HH2      ARG  27   7.275  -4.759  -5.142
  166   1HH2  ARG  27          1HH1      ARG  27   7.306  -4.512  -8.593
  167   2HH2  ARG  27          2HH1      ARG  27   7.181  -5.575  -7.232
  168    H    TYR  28           H        TYR  28   4.645   2.553  -4.626
  169    HA   TYR  28           HA       TYR  28   4.070   2.597  -1.697
  170   1HB   TYR  28          1HB       TYR  28   3.477   4.858  -1.891
  171   2HB   TYR  28          2HB       TYR  28   4.837   4.724  -2.990
  172    HD1  TYR  28           1HD      TYR  28   2.988   3.188  -5.157
  173    HD2  TYR  28           2HD      TYR  28   2.696   6.890  -3.004
  174    HE1  TYR  28           1HE      TYR  28   1.672   4.152  -6.995
  175    HE2  TYR  28           2HE      TYR  28   1.358   7.839  -4.847
  176    HH   TYR  28           HH       TYR  28   0.900   7.540  -7.121
  177    H    PHE  29           H        PHE  29   1.662   3.162  -1.353
  178    HA   PHE  29           HA       PHE  29   0.101   1.463  -3.240
  179   1HB   PHE  29          2HB       PHE  29   0.155   1.589  -0.210
  180   2HB   PHE  29          1HB       PHE  29  -1.037   0.663  -1.134
  181    HD1  PHE  29           1HD      PHE  29  -0.475  -1.399  -2.142
  182    HD2  PHE  29           2HD      PHE  29   2.664   1.096  -0.610
  183    HE1  PHE  29           1HE      PHE  29   1.166  -3.200  -2.588
  184    HE2  PHE  29           2HE      PHE  29   4.302  -0.708  -1.058
  185    HZ   PHE  29           HZ       PHE  29   3.555  -2.854  -2.046
  186    H    LEU  30           H        LEU  30  -1.007   2.892  -4.333
  187    HA   LEU  30           HA       LEU  30  -1.992   5.404  -3.279
  188   1HB   LEU  30          1HB       LEU  30  -1.318   4.287  -5.690
  189   2HB   LEU  30          2HB       LEU  30  -3.066   4.244  -5.786
  190    HG   LEU  30           HG       LEU  30  -3.223   6.627  -5.490
  191   1HD1  LEU  30          1HD2      LEU  30  -0.552   7.530  -5.549
  192   2HD1  LEU  30          2HD2      LEU  30  -0.612   6.293  -4.293
  193   3HD1  LEU  30          3HD2      LEU  30  -1.700   7.678  -4.221
  194   1HD2  LEU  30          1HD1      LEU  30  -1.268   5.540  -7.464
  195   2HD2  LEU  30          2HD1      LEU  30  -1.415   7.293  -7.339
  196   3HD2  LEU  30          3HD1      LEU  30  -2.826   6.316  -7.743
  197    H    ASN  31           H        ASN  31  -3.648   5.401  -1.851
  198    HA   ASN  31           HA       ASN  31  -5.750   3.324  -1.938
  199   1HB   ASN  31          1HB       ASN  31  -4.667   4.052   0.170
  200   2HB   ASN  31          2HB       ASN  31  -5.227   5.699  -0.115
  201   1HD2  ASN  31          1HD2      ASN  31  -5.927   3.902   2.142
  202   2HD2  ASN  31          2HD2      ASN  31  -7.606   3.712   2.086
  203    H    HIS  32           H        HIS  32  -7.271   3.744  -3.520
  204    HA   HIS  32           HA       HIS  32  -8.052   6.477  -4.243
  205   1HB   HIS  32          1HB       HIS  32  -8.420   3.698  -5.161
  206   2HB   HIS  32          2HB       HIS  32  -9.813   4.741  -5.446
  207    HD1  HIS  32           1HD      HIS  32  -9.453   6.827  -6.990
  208    HD2  HIS  32           2HD      HIS  32  -6.126   4.332  -6.695
  209    HE1  HIS  32           1HE      HIS  32  -7.867   7.526  -8.836
  210    H    ILE  33           H        ILE  33  -8.906   4.464  -1.686
  211    HA   ILE  33           HA       ILE  33 -11.779   5.198  -1.648
  212    HB   ILE  33           HB       ILE  33 -10.479   4.002   0.755
  213   1HG1  ILE  33          2HG1      ILE  33 -10.570   2.553  -1.911
  214   2HG1  ILE  33          1HG1      ILE  33  -9.177   2.780  -0.858
  215   1HG2  ILE  33          1HG2      ILE  33 -12.529   2.936   0.971
  216   2HG2  ILE  33          2HG2      ILE  33 -12.786   2.845  -0.772
  217   3HG2  ILE  33          3HG2      ILE  33 -13.004   4.379   0.073
  218   1HD1  ILE  33          1HD1      ILE  33 -10.854   1.518   0.860
  219   2HD1  ILE  33          2HD1      ILE  33  -9.687   0.671  -0.157
  220   3HD1  ILE  33          3HD1      ILE  33 -11.371   0.798  -0.667
  221    H    ASP  34           H        ASP  34  -9.025   5.505   0.574
  222    HA   ASP  34           HA       ASP  34 -10.254   7.953   1.752
  223   1HB   ASP  34          1HB       ASP  34  -7.929   6.151   2.499
  224   2HB   ASP  34          2HB       ASP  34  -8.394   7.577   3.427
  225    H    GLN  35           H        GLN  35  -8.822   7.702  -0.964
  226    HA   GLN  35           HA       GLN  35  -7.085   8.744  -2.196
  227   1HB   GLN  35          1HB       GLN  35  -7.324  11.237  -1.897
  228   2HB   GLN  35          2HB       GLN  35  -8.848  10.382  -2.112
  229   1HG   GLN  35          2HG       GLN  35  -9.331  10.492   0.244
  230   2HG   GLN  35          1HG       GLN  35  -7.712  11.088   0.606
  231   1HE2  GLN  35          1HE2      GLN  35  -9.940  12.617   1.421
  232   2HE2  GLN  35          2HE2      GLN  35 -10.029  14.026   0.480
  233    H    THR  36           H        THR  36  -5.358   7.545  -0.895
  234    HA   THR  36           HA       THR  36  -3.489   9.559   0.225
  235    HB   THR  36           HB       THR  36  -3.261   7.842   2.230
  236    HG1  THR  36           1HG      THR  36  -4.683   6.314   1.776
  237   1HG2  THR  36          1HG2      THR  36  -4.208   9.510   3.426
  238   2HG2  THR  36          2HG2      THR  36  -5.756   9.330   2.597
  239   3HG2  THR  36          3HG2      THR  36  -4.476  10.304   1.873
  240    H    THR  37           H        THR  37  -1.294   8.615   0.542
  241    HA   THR  37           HA       THR  37  -0.882   6.132  -1.102
  242    HB   THR  37           HB       THR  37   1.117   7.171  -1.963
  243    HG1  THR  37           1HG      THR  37   0.555   9.251  -0.121
  244   1HG2  THR  37          1HG2      THR  37  -1.425   8.225  -2.393
  245   2HG2  THR  37          2HG2      THR  37   0.000   8.487  -3.400
  246   3HG2  THR  37          3HG2      THR  37  -0.409   9.642  -2.132
  247    H    THR  38           H        THR  38  -0.215   4.522   0.275
  248    HA   THR  38           HA       THR  38   1.626   5.297   2.520
  249    HB   THR  38           HB       THR  38  -0.647   4.367   3.104
  250    HG1  THR  38           1HG      THR  38   0.204   2.871   4.573
  251   1HG2  THR  38          1HG2      THR  38  -1.221   2.119   2.586
  252   2HG2  THR  38          2HG2      THR  38   0.407   1.755   2.017
  253   3HG2  THR  38          3HG2      THR  38  -0.640   2.812   1.073
  254    H    TRP  39           H        TRP  39   3.628   4.249   2.568
  255    HA   TRP  39           HA       TRP  39   4.516   2.877   0.176
  256   1HB   TRP  39          2HB       TRP  39   5.857   2.936   2.896
  257   2HB   TRP  39          1HB       TRP  39   6.635   2.786   1.326
  258    HD1  TRP  39           HD       TRP  39   5.148   5.319   3.713
  259    HE1  TRP  39           1HE      TRP  39   5.726   7.697   2.902
  260    HE3  TRP  39           3HE      TRP  39   7.117   4.258  -0.900
  261    HZ2  TRP  39           2HZ      TRP  39   6.874   8.972   0.638
  262    HZ3  TRP  39           3HZ      TRP  39   7.960   6.072  -2.335
  263    HH2  TRP  39           HH       TRP  39   7.837   8.429  -1.586
  264    H    GLN  40           H        GLN  40   3.843   1.796   3.518
  265    HA   GLN  40           HA       GLN  40   4.336  -1.017   2.833
  266   1HB   GLN  40          1HB       GLN  40   3.154   0.336   5.282
  267   2HB   GLN  40          2HB       GLN  40   3.721  -1.333   5.205
  268   1HG   GLN  40          2HG       GLN  40   5.982  -0.661   4.904
  269   2HG   GLN  40          1HG       GLN  40   5.520   0.996   4.516
  270   1HE2  GLN  40          1HE2      GLN  40   4.630   2.324   6.343
  271   2HE2  GLN  40          2HE2      GLN  40   5.057   1.939   7.940
  272    H    ASP  41           H        ASP  41   2.241  -2.252   4.249
  273    HA   ASP  41           HA       ASP  41  -0.181  -1.505   2.641
  274   1HB   ASP  41          1HB       ASP  41   0.869  -4.263   3.357
  275   2HB   ASP  41          2HB       ASP  41  -0.543  -3.920   2.358
  276    HA   PRO  42           HA       PRO  42  -2.189  -1.532   6.576
  277   1HB   PRO  42          1HB       PRO  42  -4.779  -1.871   5.755
  278   2HB   PRO  42          2HB       PRO  42  -3.902  -0.337   5.584
  279   1HG   PRO  42          1HG       PRO  42  -4.450  -2.453   3.557
  280   2HG   PRO  42          2HG       PRO  42  -4.460  -0.692   3.379
  281   1HD   PRO  42          2HD       PRO  42  -2.400  -2.290   2.559
  282   2HD   PRO  42          1HD       PRO  42  -2.195  -0.593   3.040
  283    H    ARG  43           H        ARG  43  -4.437  -3.027   7.289
  284    HA   ARG  43           HA       ARG  43  -4.997  -5.181   8.089
  285   1HB   ARG  43          2HB       ARG  43  -5.256  -5.195   5.496
  286   2HB   ARG  43          1HB       ARG  43  -3.782  -6.162   5.507
  287   1HG   ARG  43          2HG       ARG  43  -4.899  -7.998   6.198
  288   2HG   ARG  43          1HG       ARG  43  -5.691  -7.103   7.495
  289   1HD   ARG  43          1HD       ARG  43  -6.781  -6.289   4.937
  290   2HD   ARG  43          2HD       ARG  43  -6.898  -8.050   5.125
  291    HE   ARG  43           HE       ARG  43  -8.274  -6.054   6.763
  292   1HH1  ARG  43          1HH2      ARG  43  -6.943  -9.270   6.649
  293   2HH1  ARG  43          2HH2      ARG  43  -7.965  -9.855   7.915
  294   1HH2  ARG  43          1HH1      ARG  43  -9.589  -6.839   8.405
  295   2HH2  ARG  43          2HH1      ARG  43  -9.452  -8.492   8.903
  296    H    LYS  44           H        LYS  44  -2.677  -4.386   9.258
  297    HA   LYS  44           HA       LYS  44  -0.683  -5.181  10.250
  298   1HB   LYS  44          2HB       LYS  44  -2.587  -6.998  10.546
  299   2HB   LYS  44          1HB       LYS  44  -1.574  -7.934   9.446
  300   1HG   LYS  44          2HG       LYS  44   0.308  -7.802  10.940
  301   2HG   LYS  44          1HG       LYS  44  -0.515  -6.621  11.961
  302   1HD   LYS  44          1HD       LYS  44  -2.108  -8.250  12.709
  303   2HD   LYS  44          2HD       LYS  44  -1.591  -9.411  11.487
  304   1HE   LYS  44          1HE       LYS  44   0.126 -10.147  12.788
  305   2HE   LYS  44          2HE       LYS  44   0.616  -8.495  13.205
  306   1HZ   LYS  44          1HZ       LYS  44  -1.816  -9.816  14.288
  307   2HZ   LYS  44          2HZ       LYS  44  -1.133  -8.345  14.792
  308   3HZ   LYS  44          3HZ       LYS  44  -0.328  -9.809  15.100
  309   1H    ACE  45          1H        ACE  45   9.113  10.917   7.138
  310   2H    ACE  45          2H        ACE  45   7.358  10.914   6.964
  311   3H    ACE  45          3H        ACE  45   8.207  12.420   7.316
  312    HA   PRO  46           HA       PRO  46   8.556  11.773   2.733
  313   1HB   PRO  46          2HB       PRO  46   9.203   9.347   1.647
  314   2HB   PRO  46          1HB       PRO  46  10.422  10.490   2.251
  315   1HG   PRO  46          2HG       PRO  46   9.306   8.055   3.543
  316   2HG   PRO  46          1HG       PRO  46  10.964   8.677   3.547
  317   1HD   PRO  46          2HD       PRO  46   9.245   8.975   5.637
  318   2HD   PRO  46          1HD       PRO  46  10.561  10.112   5.279
  319    H    LEU  47           H        LEU  47   6.669  11.736   1.551
  320    HA   LEU  47           HA       LEU  47   5.046   9.377   1.170
  321   1HB   LEU  47          1HB       LEU  47   4.770  10.089   3.641
  322   2HB   LEU  47          2HB       LEU  47   3.852  11.455   3.008
  323    HG   LEU  47           HG       LEU  47   3.229   8.581   2.285
  324   1HD1  LEU  47          1HD2      LEU  47   1.809  10.288   4.345
  325   2HD1  LEU  47          2HD2      LEU  47   3.022   9.080   4.767
  326   3HD1  LEU  47          3HD2      LEU  47   1.523   8.585   3.979
  327   1HD2  LEU  47          1HD1      LEU  47   0.970   9.730   1.823
  328   2HD2  LEU  47          2HD1      LEU  47   2.285  10.072   0.697
  329   3HD2  LEU  47          3HD1      LEU  47   1.857  11.250   1.937
  330    HA   PRO  48           HA       PRO  48   4.050  12.454  -1.957
  331   1HB   PRO  48          2HB       PRO  48   2.656  10.775  -3.610
  332   2HB   PRO  48          1HB       PRO  48   4.427  10.832  -3.560
  333   1HG   PRO  48          1HG       PRO  48   2.550   8.892  -2.299
  334   2HG   PRO  48          2HG       PRO  48   4.114   8.604  -3.073
  335   1HD   PRO  48          2HD       PRO  48   3.760   8.696  -0.367
  336   2HD   PRO  48          1HD       PRO  48   5.288   9.113  -1.173
  337    HA   PRO  49           HA       PRO  49  -0.032  13.358  -0.435
  338   1HB   PRO  49          1HB       PRO  49  -0.587  15.496  -2.051
  339   2HB   PRO  49          2HB       PRO  49   0.506  15.596  -0.658
  340   1HG   PRO  49          2HG       PRO  49   1.138  15.365  -3.558
  341   2HG   PRO  49          1HG       PRO  49   1.956  16.296  -2.297
  342   1HD   PRO  49          2HD       PRO  49   2.863  13.901  -3.273
  343   2HD   PRO  49          1HD       PRO  49   3.242  14.520  -1.653
  344    H    TYR  50           H        TYR  50  -2.300  13.585  -1.397
  345    HA   TYR  50           HA       TYR  50  -2.722  12.761  -4.170
  346   1HB   TYR  50          2HB       TYR  50  -1.945  10.695  -2.922
  347   2HB   TYR  50          1HB       TYR  50  -3.406  10.820  -1.942
  348    HD1  TYR  50           1HD      TYR  50  -4.831   9.078  -2.608
  349    HD2  TYR  50           2HD      TYR  50  -2.846  11.441  -5.593
  350    HE1  TYR  50           1HE      TYR  50  -6.122   7.920  -4.380
  351    HE2  TYR  50           2HE      TYR  50  -4.138  10.285  -7.367
  352    HH   TYR  50           HH       TYR  50  -5.384   7.678  -7.327
  Start of MODEL    9
    1    H    PHE   5           H        PHE   5   7.222 -12.233  11.254
    2    HA   PHE   5           HA       PHE   5   6.564 -13.234  13.999
    3   1HB   PHE   5          2HB       PHE   5   9.013 -13.254  13.573
    4   2HB   PHE   5          1HB       PHE   5   8.942 -11.541  13.160
    5    HD1  PHE   5           1HD      PHE   5   9.534 -10.054  14.843
    6    HD2  PHE   5           2HD      PHE   5   7.721 -13.800  15.906
    7    HE1  PHE   5           1HE      PHE   5   9.728  -9.466  17.245
    8    HE2  PHE   5           2HE      PHE   5   7.914 -13.211  18.307
    9    HZ   PHE   5           HZ       PHE   5   8.918 -11.044  18.976
   10    H    GLU   6           H        GLU   6   7.700 -10.155  12.559
   11    HA   GLU   6           HA       GLU   6   5.664  -8.675  14.101
   12   1HB   GLU   6          1HB       GLU   6   6.910  -6.735  13.195
   13   2HB   GLU   6          2HB       GLU   6   8.009  -7.917  13.904
   14   1HG   GLU   6          2HG       GLU   6   7.574  -8.622  11.163
   15   2HG   GLU   6          1HG       GLU   6   7.999  -6.913  11.234
   16    H    ILE   7           H        ILE   7   6.122  -9.888  10.870
   17    HA   ILE   7           HA       ILE   7   3.766  -8.282   9.935
   18    HB   ILE   7           HB       ILE   7   6.129  -9.487   8.458
   19   1HG1  ILE   7          2HG1      ILE   7   6.644  -7.448   9.757
   20   2HG1  ILE   7          1HG1      ILE   7   6.693  -7.118   8.023
   21   1HG2  ILE   7          1HG2      ILE   7   3.546  -8.983   7.488
   22   2HG2  ILE   7          2HG2      ILE   7   5.004  -9.212   6.523
   23   3HG2  ILE   7          3HG2      ILE   7   4.497  -7.587   6.982
   24   1HD1  ILE   7          1HD1      ILE   7   4.039  -6.658   8.657
   25   2HD1  ILE   7          2HD1      ILE   7   5.273  -5.411   8.481
   26   3HD1  ILE   7          3HD1      ILE   7   4.888  -6.050  10.079
   27    HA   PRO   8           HA       PRO   8   2.210 -12.561  10.022
   28   1HB   PRO   8          1HB       PRO   8  -0.435 -11.859  10.089
   29   2HB   PRO   8          2HB       PRO   8   0.587 -11.919  11.537
   30   1HG   PRO   8          1HG       PRO   8  -0.262  -9.574   9.906
   31   2HG   PRO   8          2HG       PRO   8  -0.107  -9.727  11.663
   32   1HD   PRO   8          1HD       PRO   8   1.748  -8.494  10.083
   33   2HD   PRO   8          2HD       PRO   8   2.143  -9.283  11.623
   34    H    ASP   9           H        ASP   9   0.034 -13.307   8.600
   35    HA   ASP   9           HA       ASP   9   0.431 -12.138   5.865
   36   1HB   ASP   9          2HB       ASP   9   1.136 -14.670   6.863
   37   2HB   ASP   9          1HB       ASP   9  -0.325 -14.944   5.916
   38    H    ASP  10           H        ASP  10  -1.660 -11.333   7.653
   39    HA   ASP  10           HA       ASP  10  -4.100 -12.825   7.159
   40   1HB   ASP  10          1HB       ASP  10  -3.187 -10.342   8.469
   41   2HB   ASP  10          2HB       ASP  10  -4.839 -10.272   7.857
   42    H    VAL  11           H        VAL  11  -3.759  -9.399   6.310
   43    HA   VAL  11           HA       VAL  11  -4.484 -10.042   3.484
   44    HB   VAL  11           HB       VAL  11  -6.540  -9.609   4.727
   45   1HG1  VAL  11          1HG2      VAL  11  -6.855  -7.510   5.961
   46   2HG1  VAL  11          2HG2      VAL  11  -5.219  -7.000   5.542
   47   3HG1  VAL  11          3HG2      VAL  11  -5.467  -8.385   6.606
   48   1HG2  VAL  11          1HG1      VAL  11  -7.311  -7.547   3.528
   49   2HG2  VAL  11          2HG1      VAL  11  -6.474  -8.688   2.476
   50   3HG2  VAL  11          3HG1      VAL  11  -5.638  -7.245   3.056
   51    HA   PRO  12           HA       PRO  12  -1.332  -6.948   2.946
   52   1HB   PRO  12          2HB       PRO  12  -1.547  -6.659   0.230
   53   2HB   PRO  12          1HB       PRO  12  -0.732  -8.031   1.001
   54   1HG   PRO  12          2HG       PRO  12  -3.444  -7.867  -0.207
   55   2HG   PRO  12          1HG       PRO  12  -2.286  -9.202  -0.208
   56   1HD   PRO  12          2HD       PRO  12  -4.487  -9.051   1.435
   57   2HD   PRO  12          1HD       PRO  12  -3.035 -10.007   1.789
   58    H    LEU  13           H        LEU  13  -3.449  -6.007   0.277
   59    HA   LEU  13           HA       LEU  13  -4.074  -3.481   1.767
   60   1HB   LEU  13          1HB       LEU  13  -3.655  -4.093  -1.178
   61   2HB   LEU  13          2HB       LEU  13  -4.153  -2.518  -0.562
   62    HG   LEU  13           HG       LEU  13  -1.949  -3.160   1.010
   63   1HD1  LEU  13          1HD1      LEU  13  -1.747  -4.397  -1.689
   64   2HD1  LEU  13          2HD1      LEU  13  -0.950  -4.851  -0.182
   65   3HD1  LEU  13          3HD1      LEU  13  -0.338  -3.497  -1.131
   66   1HD2  LEU  13          1HD2      LEU  13  -0.842  -1.376  -0.279
   67   2HD2  LEU  13          2HD2      LEU  13  -2.527  -0.959   0.027
   68   3HD2  LEU  13          3HD2      LEU  13  -2.040  -1.549  -1.561
   69    HA   PRO  14           HA       PRO  14  -8.296  -4.727   1.271
   70   1HB   PRO  14          2HB       PRO  14  -9.506  -2.333   1.813
   71   2HB   PRO  14          1HB       PRO  14  -8.801  -3.370   3.065
   72   1HG   PRO  14          1HG       PRO  14  -7.723  -0.903   1.812
   73   2HG   PRO  14          2HG       PRO  14  -7.575  -1.479   3.476
   74   1HD   PRO  14          2HD       PRO  14  -5.596  -1.681   1.568
   75   2HD   PRO  14          1HD       PRO  14  -5.719  -2.715   3.005
   76    H    ALA  15           H        ALA  15 -10.360  -3.645   0.088
   77    HA   ALA  15           HA       ALA  15  -9.708  -3.481  -2.707
   78   1HB   ALA  15          1HB       ALA  15 -11.848  -4.225  -1.447
   79   2HB   ALA  15          2HB       ALA  15 -12.061  -3.336  -2.955
   80   3HB   ALA  15          3HB       ALA  15 -12.256  -2.510  -1.411
   81    H    GLY  16           H        GLY  16 -10.187  -1.617  -4.128
   82   1HA   GLY  16          1HA       GLY  16 -10.166   0.665  -4.704
   83   2HA   GLY  16          2HA       GLY  16 -10.492   1.044  -3.015
   84    H    TRP  17           H        TRP  17  -7.787  -1.017  -3.642
   85    HA   TRP  17           HA       TRP  17  -5.958   1.284  -3.057
   86   1HB   TRP  17          2HB       TRP  17  -6.252  -1.511  -2.110
   87   2HB   TRP  17          1HB       TRP  17  -4.593  -0.950  -2.334
   88    HD1  TRP  17           HD       TRP  17  -7.752  -0.254  -0.304
   89    HE1  TRP  17           1HE      TRP  17  -7.136   1.285   1.682
   90    HE3  TRP  17           3HE      TRP  17  -2.920   0.826  -1.501
   91    HZ2  TRP  17           2HZ      TRP  17  -4.872   2.756   2.637
   92    HZ3  TRP  17           3HZ      TRP  17  -1.567   2.298  -0.050
   93    HH2  TRP  17           HH       TRP  17  -2.519   3.256   2.010
   94    H    GLU  18           H        GLU  18  -3.872   1.263  -4.155
   95    HA   GLU  18           HA       GLU  18  -3.677  -0.581  -6.506
   96   1HB   GLU  18          1HB       GLU  18  -4.309   2.245  -6.426
   97   2HB   GLU  18          2HB       GLU  18  -2.815   1.979  -7.317
   98   1HG   GLU  18          2HG       GLU  18  -4.691   1.835  -8.858
   99   2HG   GLU  18          1HG       GLU  18  -3.978   0.234  -8.669
  100    H    MET  19           H        MET  19  -1.773  -1.626  -5.579
  101    HA   MET  19           HA       MET  19   0.434  -0.198  -4.449
  102   1HB   MET  19          1HB       MET  19   1.662  -2.297  -4.992
  103   2HB   MET  19          2HB       MET  19   0.146  -2.609  -4.173
  104   1HG   MET  19          1HG       MET  19  -0.730  -2.698  -6.722
  105   2HG   MET  19          2HG       MET  19   0.948  -3.144  -7.004
  106   1HE   MET  19          1HE       MET  19  -2.399  -4.878  -4.772
  107   2HE   MET  19          2HE       MET  19  -1.641  -3.310  -4.506
  108   3HE   MET  19          3HE       MET  19  -1.168  -4.689  -3.515
  109    H    ALA  20           H        ALA  20   1.837   1.114  -5.485
  110    HA   ALA  20           HA       ALA  20   2.583   0.584  -8.300
  111   1HB   ALA  20          1HB       ALA  20   1.061   2.982  -7.244
  112   2HB   ALA  20          2HB       ALA  20   0.614   1.912  -8.568
  113   3HB   ALA  20          3HB       ALA  20   1.943   3.047  -8.771
  114    H    LYS  21           H        LYS  21   3.521   3.668  -7.999
  115    HA   LYS  21           HA       LYS  21   5.631   3.244  -5.978
  116   1HB   LYS  21          2HB       LYS  21   7.413   3.546  -7.650
  117   2HB   LYS  21          1HB       LYS  21   6.405   2.161  -8.066
  118   1HG   LYS  21          1HG       LYS  21   5.336   4.626  -9.183
  119   2HG   LYS  21          2HG       LYS  21   6.992   4.340  -9.720
  120   1HD   LYS  21          2HD       LYS  21   5.477   1.871  -9.756
  121   2HD   LYS  21          1HD       LYS  21   4.655   3.110 -10.704
  122   1HE   LYS  21          1HE       LYS  21   7.607   2.908 -11.078
  123   2HE   LYS  21          2HE       LYS  21   6.624   1.592 -11.751
  124   1HZ   LYS  21          1HZ       LYS  21   5.316   3.114 -12.955
  125   2HZ   LYS  21          2HZ       LYS  21   6.913   3.633 -13.207
  126   3HZ   LYS  21          3HZ       LYS  21   5.916   4.451 -12.101
  127    H    THR  22           H        THR  22   6.961   5.155  -5.617
  128    HA   THR  22           HA       THR  22   5.788   7.711  -6.640
  129    HB   THR  22           HB       THR  22   4.706   7.226  -4.523
  130    HG1  THR  22           1HG      THR  22   6.724   8.985  -3.724
  131   1HG2  THR  22          1HG2      THR  22   7.451   7.017  -3.275
  132   2HG2  THR  22          2HG2      THR  22   6.534   5.603  -3.786
  133   3HG2  THR  22          3HG2      THR  22   5.902   6.652  -2.517
  134    H    SER  23           H        SER  23   7.237   9.533  -5.500
  135    HA   SER  23           HA       SER  23   9.344  10.604  -5.705
  136   1HB   SER  23          2HB       SER  23  10.954   9.550  -4.178
  137   2HB   SER  23          1HB       SER  23   9.325   9.455  -3.506
  138    HG   SER  23           HG       SER  23   9.933   7.422  -3.334
  139    H    SER  24           H        SER  24  10.953   7.468  -5.731
  140    HA   SER  24           HA       SER  24  11.710   7.954  -8.588
  141   1HB   SER  24          1HB       SER  24  13.224   7.359  -6.101
  142   2HB   SER  24          2HB       SER  24  13.796   6.574  -7.572
  143    HG   SER  24           HG       SER  24  13.944   9.182  -6.818
  144    H    GLY  25           H        GLY  25  12.467   5.213  -6.502
  145   1HA   GLY  25          1HA       GLY  25  10.877   3.481  -8.351
  146   2HA   GLY  25          2HA       GLY  25  12.426   2.984  -7.674
  147    H    GLN  26           H        GLN  26  11.417   4.422  -5.075
  148    HA   GLN  26           HA       GLN  26  10.719   2.176  -3.557
  149   1HB   GLN  26          2HB       GLN  26   9.816   5.059  -3.251
  150   2HB   GLN  26          1HB       GLN  26   9.843   3.859  -1.961
  151   1HG   GLN  26          2HG       GLN  26  12.396   4.033  -3.377
  152   2HG   GLN  26          1HG       GLN  26  11.933   5.564  -2.632
  153   1HE2  GLN  26          1HE2      GLN  26  10.973   2.381  -1.355
  154   2HE2  GLN  26          2HE2      GLN  26  11.887   2.491   0.072
  155    H    ARG  27           H        ARG  27   8.895   0.898  -3.487
  156    HA   ARG  27           HA       ARG  27   6.610   1.504  -5.189
  157   1HB   ARG  27          1HB       ARG  27   7.612  -0.714  -3.529
  158   2HB   ARG  27          2HB       ARG  27   5.858  -0.564  -3.512
  159   1HG   ARG  27          1HG       ARG  27   6.484  -0.167  -6.178
  160   2HG   ARG  27          2HG       ARG  27   7.620  -1.425  -5.683
  161   1HD   ARG  27          2HD       ARG  27   4.713  -1.634  -4.903
  162   2HD   ARG  27          1HD       ARG  27   5.255  -2.170  -6.505
  163    HE   ARG  27           HE       ARG  27   6.954  -3.131  -4.326
  164   1HH1  ARG  27          1HH2      ARG  27   4.086  -3.714  -6.214
  165   2HH1  ARG  27          2HH2      ARG  27   4.106  -5.417  -5.918
  166   1HH2  ARG  27          1HH1      ARG  27   6.956  -5.346  -3.957
  167   2HH2  ARG  27          2HH1      ARG  27   5.716  -6.337  -4.651
  168    H    TYR  28           H        TYR  28   4.671   2.317  -4.597
  169    HA   TYR  28           HA       TYR  28   4.102   2.631  -1.699
  170   1HB   TYR  28          1HB       TYR  28   3.684   4.911  -1.841
  171   2HB   TYR  28          2HB       TYR  28   5.012   4.748  -2.969
  172    HD1  TYR  28           1HD      TYR  28   2.656   6.871  -2.734
  173    HD2  TYR  28           2HD      TYR  28   3.383   3.494  -5.274
  174    HE1  TYR  28           1HE      TYR  28   1.342   7.930  -4.536
  175    HE2  TYR  28           2HE      TYR  28   2.077   4.558  -7.072
  176    HH   TYR  28           HH       TYR  28   1.070   7.860  -6.886
  177    H    PHE  29           H        PHE  29   1.746   3.133  -1.414
  178    HA   PHE  29           HA       PHE  29   0.229   1.593  -3.469
  179   1HB   PHE  29          2HB       PHE  29   0.141   1.552  -0.442
  180   2HB   PHE  29          1HB       PHE  29  -0.979   0.656  -1.475
  181    HD1  PHE  29           1HD      PHE  29   2.680   1.159  -0.764
  182    HD2  PHE  29           2HD      PHE  29  -0.330  -1.400  -2.447
  183    HE1  PHE  29           1HE      PHE  29   4.380  -0.603  -1.155
  184    HE2  PHE  29           2HE      PHE  29   1.371  -3.161  -2.820
  185    HZ   PHE  29           HZ       PHE  29   3.724  -2.760  -2.182
  186    H    LEU  30           H        LEU  30  -0.919   2.990  -4.496
  187    HA   LEU  30           HA       LEU  30  -2.020   5.454  -3.343
  188   1HB   LEU  30          1HB       LEU  30  -1.021   4.589  -5.733
  189   2HB   LEU  30          2HB       LEU  30  -2.741   4.423  -6.037
  190    HG   LEU  30           HG       LEU  30  -3.108   6.764  -5.547
  191   1HD1  LEU  30          1HD2      LEU  30  -0.410   7.717  -5.386
  192   2HD1  LEU  30          2HD2      LEU  30  -0.667   6.532  -4.108
  193   3HD1  LEU  30          3HD2      LEU  30  -1.724   7.938  -4.238
  194   1HD2  LEU  30          1HD1      LEU  30  -2.580   6.715  -7.773
  195   2HD2  LEU  30          2HD1      LEU  30  -1.045   5.895  -7.488
  196   3HD2  LEU  30          3HD1      LEU  30  -1.180   7.633  -7.222
  197    H    ASN  31           H        ASN  31  -3.916   5.258  -2.151
  198    HA   ASN  31           HA       ASN  31  -5.904   3.234  -3.088
  199   1HB   ASN  31          2HB       ASN  31  -6.398   2.845  -0.855
  200   2HB   ASN  31          1HB       ASN  31  -4.710   3.317  -0.725
  201   1HD2  ASN  31          1HD2      ASN  31  -4.399   4.654   1.010
  202   2HD2  ASN  31          2HD2      ASN  31  -5.487   5.835   1.542
  203    H    HIS  32           H        HIS  32  -7.818   3.945  -3.855
  204    HA   HIS  32           HA       HIS  32  -8.348   6.840  -3.961
  205   1HB   HIS  32          1HB       HIS  32  -9.438   4.316  -5.187
  206   2HB   HIS  32          2HB       HIS  32 -10.353   5.818  -5.316
  207    HD1  HIS  32           1HD      HIS  32  -9.523   7.568  -6.954
  208    HD2  HIS  32           2HD      HIS  32  -6.804   4.439  -6.467
  209    HE1  HIS  32           1HE      HIS  32  -7.735   7.889  -8.717
  210    H    ILE  33           H        ILE  33  -9.456   4.004  -2.263
  211    HA   ILE  33           HA       ILE  33 -12.025   4.707  -1.391
  212    HB   ILE  33           HB       ILE  33 -11.319   3.432   0.722
  213   1HG1  ILE  33          1HG1      ILE  33  -8.983   2.216  -0.122
  214   2HG1  ILE  33          2HG1      ILE  33  -8.688   3.906  -0.504
  215   1HG2  ILE  33          1HG2      ILE  33 -12.156   1.828  -0.613
  216   2HG2  ILE  33          2HG2      ILE  33 -10.491   1.467  -1.068
  217   3HG2  ILE  33          3HG2      ILE  33 -11.457   2.565  -2.054
  218   1HD1  ILE  33          1HD1      ILE  33  -9.140   2.616   2.148
  219   2HD1  ILE  33          2HD1      ILE  33  -9.726   4.263   1.923
  220   3HD1  ILE  33          3HD1      ILE  33  -8.015   3.898   1.703
  221    H    ASP  34           H        ASP  34  -8.901   5.749  -0.021
  222    HA   ASP  34           HA       ASP  34 -10.377   7.906   1.449
  223   1HB   ASP  34          1HB       ASP  34  -8.486   5.837   2.274
  224   2HB   ASP  34          2HB       ASP  34  -7.934   7.449   2.732
  225    H    GLN  35           H        GLN  35  -8.608   7.503  -1.229
  226    HA   GLN  35           HA       GLN  35  -7.088   8.840  -2.445
  227   1HB   GLN  35          1HB       GLN  35  -8.288  10.869  -0.530
  228   2HB   GLN  35          2HB       GLN  35  -7.485  11.252  -2.052
  229   1HG   GLN  35          1HG       GLN  35  -9.257  10.539  -3.321
  230   2HG   GLN  35          2HG       GLN  35  -9.686   9.258  -2.189
  231   1HE2  GLN  35          1HE2      GLN  35 -11.469   9.672  -0.862
  232   2HE2  GLN  35          2HE2      GLN  35 -12.147  11.208  -0.603
  233    H    THR  36           H        THR  36  -5.397   7.532  -1.061
  234    HA   THR  36           HA       THR  36  -3.560   9.535   0.137
  235    HB   THR  36           HB       THR  36  -3.963   7.094   1.778
  236    HG1  THR  36           1HG      THR  36  -5.829   9.223   1.850
  237   1HG2  THR  36          1HG2      THR  36  -2.564   9.376   2.085
  238   2HG2  THR  36          2HG2      THR  36  -3.181   8.442   3.449
  239   3HG2  THR  36          3HG2      THR  36  -4.071   9.852   2.871
  240    H    THR  37           H        THR  37  -1.493   8.201   0.933
  241    HA   THR  37           HA       THR  37  -0.973   5.895  -0.892
  242    HB   THR  37           HB       THR  37   0.996   6.943  -1.780
  243    HG1  THR  37           1HG      THR  37   0.496   9.130  -0.055
  244   1HG2  THR  37          1HG2      THR  37  -1.450   7.878  -2.369
  245   2HG2  THR  37          2HG2      THR  37   0.014   8.513  -3.121
  246   3HG2  THR  37          3HG2      THR  37  -0.723   9.365  -1.765
  247    H    THR  38           H        THR  38   0.021   4.290   0.283
  248    HA   THR  38           HA       THR  38   1.700   5.169   2.622
  249    HB   THR  38           HB       THR  38  -0.545   4.136   3.187
  250    HG1  THR  38           1HG      THR  38   0.563   3.661   4.882
  251   1HG2  THR  38          1HG2      THR  38   0.581   1.469   2.470
  252   2HG2  THR  38          2HG2      THR  38  -0.127   2.441   1.186
  253   3HG2  THR  38          3HG2      THR  38  -1.102   1.988   2.580
  254    H    TRP  39           H        TRP  39   3.532   3.712   3.078
  255    HA   TRP  39           HA       TRP  39   4.583   2.506   0.570
  256   1HB   TRP  39          1HB       TRP  39   6.035   2.767   3.209
  257   2HB   TRP  39          2HB       TRP  39   6.714   2.751   1.588
  258    HD1  TRP  39           HD       TRP  39   4.755   5.018   3.985
  259    HE1  TRP  39           1HE      TRP  39   5.131   7.470   3.287
  260    HE3  TRP  39           3HE      TRP  39   7.354   4.331  -0.372
  261    HZ2  TRP  39           2HZ      TRP  39   6.370   8.938   1.191
  262    HZ3  TRP  39           3HZ      TRP  39   8.134   6.274  -1.672
  263    HH2  TRP  39           HH       TRP  39   7.640   8.579  -0.910
  264    H    GLN  40           H        GLN  40   5.092   0.304   0.414
  265    HA   GLN  40           HA       GLN  40   4.831  -2.001   0.889
  266   1HB   GLN  40          1HB       GLN  40   6.547  -0.731   2.620
  267   2HB   GLN  40          2HB       GLN  40   5.449  -1.541   3.737
  268   1HG   GLN  40          2HG       GLN  40   7.054  -3.201   3.343
  269   2HG   GLN  40          1HG       GLN  40   5.805  -3.611   2.166
  270   1HE2  GLN  40          1HE2      GLN  40   6.204  -2.966  -0.115
  271   2HE2  GLN  40          2HE2      GLN  40   7.785  -2.669  -0.653
  272    H    ASP  41           H        ASP  41   2.356  -1.353   0.720
  273    HA   ASP  41           HA       ASP  41   0.167  -1.763   1.480
  274   1HB   ASP  41          2HB       ASP  41   1.974  -3.535   3.067
  275   2HB   ASP  41          1HB       ASP  41   0.301  -3.399   3.600
  276    HA   PRO  42           HA       PRO  42  -0.503   1.214   4.660
  277   1HB   PRO  42          1HB       PRO  42  -3.134   0.724   5.219
  278   2HB   PRO  42          2HB       PRO  42  -2.600   1.540   3.738
  279   1HG   PRO  42          1HG       PRO  42  -3.468  -1.273   4.152
  280   2HG   PRO  42          2HG       PRO  42  -3.734  -0.204   2.771
  281   1HD   PRO  42          1HD       PRO  42  -1.840  -2.202   2.863
  282   2HD   PRO  42          2HD       PRO  42  -1.759  -0.786   1.795
  283    H    ARG  43           H        ARG  43  -2.085  -1.924   5.377
  284    HA   ARG  43           HA       ARG  43  -1.867  -1.640   8.247
  285   1HB   ARG  43          1HB       ARG  43  -3.215  -3.215   6.441
  286   2HB   ARG  43          2HB       ARG  43  -2.017  -4.346   7.072
  287   1HG   ARG  43          1HG       ARG  43  -2.994  -4.413   9.126
  288   2HG   ARG  43          2HG       ARG  43  -3.306  -2.677   9.134
  289   1HD   ARG  43          1HD       ARG  43  -4.906  -4.424   7.280
  290   2HD   ARG  43          2HD       ARG  43  -5.343  -4.352   8.999
  291    HE   ARG  43           HE       ARG  43  -5.590  -2.164   7.069
  292   1HH1  ARG  43          1HH2      ARG  43  -5.144  -3.025  10.413
  293   2HH1  ARG  43          2HH2      ARG  43  -5.778  -1.527  10.998
  294   1HH2  ARG  43          1HH1      ARG  43  -6.409  -0.227   7.853
  295   2HH2  ARG  43          2HH1      ARG  43  -6.490   0.047   9.562
  296    H    LYS  44           H        LYS  44  -0.811  -4.142   9.016
  297    HA   LYS  44           HA       LYS  44   1.923  -4.387   7.944
  298   1HB   LYS  44          1HB       LYS  44   1.978  -2.409   9.448
  299   2HB   LYS  44          2HB       LYS  44   1.360  -3.409  10.763
  300   1HG   LYS  44          2HG       LYS  44   3.338  -4.742  10.811
  301   2HG   LYS  44          1HG       LYS  44   3.891  -4.105   9.263
  302   1HD   LYS  44          2HD       LYS  44   3.420  -2.169  11.494
  303   2HD   LYS  44          1HD       LYS  44   4.869  -3.174  11.558
  304   1HE   LYS  44          2HE       LYS  44   5.666  -2.321   9.462
  305   2HE   LYS  44          1HE       LYS  44   4.103  -1.565   9.100
  306   1HZ   LYS  44          1HZ       LYS  44   5.528   0.113   9.998
  307   2HZ   LYS  44          2HZ       LYS  44   5.976  -0.874  11.306
  308   3HZ   LYS  44          3HZ       LYS  44   4.391  -0.272  11.197
  309   1H    ACE  45          1H        ACE  45   8.229  13.307   4.664
  310   2H    ACE  45          2H        ACE  45   7.633  13.755   6.262
  311   3H    ACE  45          3H        ACE  45   6.534  13.742   4.882
  312    HA   PRO  46           HA       PRO  46   8.259  11.295   3.144
  313   1HB   PRO  46          2HB       PRO  46   8.610   8.585   3.053
  314   2HB   PRO  46          1HB       PRO  46   9.914   9.713   3.475
  315   1HG   PRO  46          2HG       PRO  46   8.227   8.025   5.245
  316   2HG   PRO  46          1HG       PRO  46   9.945   8.430   5.372
  317   1HD   PRO  46          2HD       PRO  46   7.985   9.617   6.862
  318   2HD   PRO  46          1HD       PRO  46   9.533  10.392   6.462
  319    H    LEU  47           H        LEU  47   6.266  11.562   2.170
  320    HA   LEU  47           HA       LEU  47   4.529   9.300   1.717
  321   1HB   LEU  47          1HB       LEU  47   4.027   9.718   4.085
  322   2HB   LEU  47          2HB       LEU  47   3.670  11.407   3.725
  323    HG   LEU  47           HG       LEU  47   2.053  10.108   1.927
  324   1HD1  LEU  47          1HD1      LEU  47   0.872   8.391   3.419
  325   2HD1  LEU  47          2HD1      LEU  47   2.317   8.429   4.429
  326   3HD1  LEU  47          3HD1      LEU  47   2.429   7.900   2.750
  327   1HD2  LEU  47          1HD2      LEU  47   0.480  10.381   4.223
  328   2HD2  LEU  47          2HD2      LEU  47   0.775  11.624   3.007
  329   3HD2  LEU  47          3HD2      LEU  47   1.788  11.543   4.449
  330    HA   PRO  48           HA       PRO  48   3.897  12.514  -1.396
  331   1HB   PRO  48          2HB       PRO  48   2.693  10.883  -3.240
  332   2HB   PRO  48          1HB       PRO  48   4.452  10.966  -3.020
  333   1HG   PRO  48          2HG       PRO  48   2.500   8.952  -2.004
  334   2HG   PRO  48          1HG       PRO  48   4.127   8.713  -2.658
  335   1HD   PRO  48          1HD       PRO  48   3.569   8.683   0.006
  336   2HD   PRO  48          2HD       PRO  48   5.138   9.187  -0.652
  337    HA   PRO  49           HA       PRO  49  -0.311  13.366  -0.284
  338   1HB   PRO  49          1HB       PRO  49  -0.802  15.409  -2.038
  339   2HB   PRO  49          2HB       PRO  49   0.184  15.605  -0.576
  340   1HG   PRO  49          2HG       PRO  49   1.035  15.239  -3.409
  341   2HG   PRO  49          1HG       PRO  49   1.725  16.272  -2.149
  342   1HD   PRO  49          1HD       PRO  49   2.795  13.870  -2.900
  343   2HD   PRO  49          2HD       PRO  49   2.995  14.576  -1.282
  344    H    TYR  50           H        TYR  50  -2.323  14.189  -2.033
  345    HA   TYR  50           HA       TYR  50  -2.407  12.539  -4.440
  346   1HB   TYR  50          2HB       TYR  50  -2.624  11.009  -2.362
  347   2HB   TYR  50          1HB       TYR  50  -4.221  11.732  -2.163
  348    HD1  TYR  50           1HD      TYR  50  -6.031  10.736  -3.241
  349    HD2  TYR  50           2HD      TYR  50  -2.081  10.197  -4.839
  350    HE1  TYR  50           1HE      TYR  50  -6.940   9.212  -4.974
  351    HE2  TYR  50           2HE      TYR  50  -2.990   8.674  -6.573
  352    HH   TYR  50           HH       TYR  50  -5.606   7.122  -6.463
  Start of MODEL   10
    1    H    PHE   5           H        PHE   5   3.747 -13.345  12.428
    2    HA   PHE   5           HA       PHE   5   2.415 -12.013  10.128
    3   1HB   PHE   5          2HB       PHE   5   5.160 -11.925  11.403
    4   2HB   PHE   5          1HB       PHE   5   4.782 -11.058   9.914
    5    HD1  PHE   5           1HD      PHE   5   4.008 -11.348  13.522
    6    HD2  PHE   5           2HD      PHE   5   3.367  -9.102   9.917
    7    HE1  PHE   5           1HE      PHE   5   2.990  -9.515  14.846
    8    HE2  PHE   5           2HE      PHE   5   2.349  -7.268  11.241
    9    HZ   PHE   5           HZ       PHE   5   2.161  -7.475  13.706
   10    H    GLU   6           H        GLU   6   2.042 -13.703   8.628
   11    HA   GLU   6           HA       GLU   6   4.508 -14.935   7.472
   12   1HB   GLU   6          2HB       GLU   6   1.988 -16.249   8.492
   13   2HB   GLU   6          1HB       GLU   6   3.002 -17.043   7.287
   14   1HG   GLU   6          2HG       GLU   6   4.783 -17.302   8.758
   15   2HG   GLU   6          1HG       GLU   6   4.300 -15.922   9.746
   16    H    ILE   7           H        ILE   7   4.469 -14.000   5.440
   17    HA   ILE   7           HA       ILE   7   1.959 -14.319   3.840
   18    HB   ILE   7           HB       ILE   7   2.403 -12.016   2.962
   19   1HG1  ILE   7          2HG1      ILE   7   4.503 -11.999   5.153
   20   2HG1  ILE   7          1HG1      ILE   7   4.829 -11.977   3.421
   21   1HG2  ILE   7          1HG2      ILE   7   2.326 -11.456   5.836
   22   2HG2  ILE   7          2HG2      ILE   7   1.243 -12.766   5.367
   23   3HG2  ILE   7          3HG2      ILE   7   1.091 -11.183   4.606
   24   1HD1  ILE   7          1HD1      ILE   7   4.371  -9.751   5.103
   25   2HD1  ILE   7          2HD1      ILE   7   2.937  -9.901   4.088
   26   3HD1  ILE   7          3HD1      ILE   7   4.530  -9.747   3.346
   27    HA   PRO   8           HA       PRO   8   4.914 -15.696   0.846
   28   1HB   PRO   8          1HB       PRO   8   3.290 -15.758  -1.345
   29   2HB   PRO   8          2HB       PRO   8   3.171 -16.930  -0.023
   30   1HG   PRO   8          2HG       PRO   8   1.397 -14.693  -0.717
   31   2HG   PRO   8          1HG       PRO   8   1.050 -16.165   0.195
   32   1HD   PRO   8          1HD       PRO   8   1.536 -13.554   1.222
   33   2HD   PRO   8          2HD       PRO   8   1.289 -15.054   2.141
   34    H    ASP   9           H        ASP   9   4.822 -12.727   1.303
   35    HA   ASP   9           HA       ASP   9   5.445 -10.721   0.230
   36   1HB   ASP   9          2HB       ASP   9   7.386 -12.278   0.086
   37   2HB   ASP   9          1HB       ASP   9   6.821 -12.788  -1.503
   38    H    ASP  10           H        ASP  10   2.899 -11.278  -0.600
   39    HA   ASP  10           HA       ASP  10   2.787 -10.091  -3.240
   40   1HB   ASP  10          1HB       ASP  10   3.435 -12.667  -3.388
   41   2HB   ASP  10          2HB       ASP  10   1.697 -12.883  -3.178
   42    H    VAL  11           H        VAL  11   1.538  -9.064  -1.152
   43    HA   VAL  11           HA       VAL  11  -1.150 -10.214  -0.781
   44    HB   VAL  11           HB       VAL  11   0.259  -7.736   0.253
   45   1HG1  VAL  11          1HG2      VAL  11  -1.813  -7.078   0.875
   46   2HG1  VAL  11          2HG2      VAL  11  -1.787  -8.430   2.007
   47   3HG1  VAL  11          3HG2      VAL  11  -2.519  -8.627   0.415
   48   1HG2  VAL  11          1HG1      VAL  11   1.368  -9.548   1.225
   49   2HG2  VAL  11          2HG1      VAL  11  -0.077 -10.560   1.223
   50   3HG2  VAL  11          3HG1      VAL  11   0.081  -9.253   2.395
   51    HA   PRO  12           HA       PRO  12  -2.625  -7.627  -4.139
   52   1HB   PRO  12          1HB       PRO  12  -5.244  -8.388  -4.016
   53   2HB   PRO  12          2HB       PRO  12  -3.983  -9.388  -4.758
   54   1HG   PRO  12          2HG       PRO  12  -5.267  -9.622  -2.087
   55   2HG   PRO  12          1HG       PRO  12  -4.739 -10.892  -3.198
   56   1HD   PRO  12          2HD       PRO  12  -3.347 -10.093  -0.964
   57   2HD   PRO  12          1HD       PRO  12  -2.614 -10.888  -2.371
   58    H    LEU  13           H        LEU  13  -3.179  -7.281  -0.844
   59    HA   LEU  13           HA       LEU  13  -4.104  -5.556   0.462
   60   1HB   LEU  13          2HB       LEU  13  -3.635  -4.327  -2.253
   61   2HB   LEU  13          1HB       LEU  13  -4.362  -3.374  -0.963
   62    HG   LEU  13           HG       LEU  13  -2.359  -4.264   0.470
   63   1HD1  LEU  13          1HD1      LEU  13  -1.671  -5.084  -2.300
   64   2HD1  LEU  13          2HD1      LEU  13  -1.157  -5.774  -0.761
   65   3HD1  LEU  13          3HD1      LEU  13  -0.376  -4.318  -1.380
   66   1HD2  LEU  13          1HD2      LEU  13  -0.914  -2.393  -0.459
   67   2HD2  LEU  13          2HD2      LEU  13  -2.562  -1.923  -0.048
   68   3HD2  LEU  13          3HD2      LEU  13  -2.118  -2.197  -1.733
   69    HA   PRO  14           HA       PRO  14  -8.448  -5.707  -0.106
   70   1HB   PRO  14          2HB       PRO  14  -9.318  -3.425   1.121
   71   2HB   PRO  14          1HB       PRO  14  -8.698  -4.831   2.006
   72   1HG   PRO  14          1HG       PRO  14  -7.383  -2.248   1.384
   73   2HG   PRO  14          2HG       PRO  14  -7.214  -3.289   2.799
   74   1HD   PRO  14          2HD       PRO  14  -5.401  -3.131   0.709
   75   2HD   PRO  14          1HD       PRO  14  -5.524  -4.480   1.855
   76    H    ALA  15           H        ALA  15 -10.410  -4.267  -0.889
   77    HA   ALA  15           HA       ALA  15  -9.837  -3.354  -3.550
   78   1HB   ALA  15          1HB       ALA  15 -12.261  -2.591  -3.360
   79   2HB   ALA  15          2HB       ALA  15 -12.202  -3.108  -1.675
   80   3HB   ALA  15          3HB       ALA  15 -11.975  -4.287  -2.966
   81    H    GLY  16           H        GLY  16 -10.227  -1.141  -4.370
   82   1HA   GLY  16          1HA       GLY  16 -10.081   1.209  -4.275
   83   2HA   GLY  16          2HA       GLY  16 -10.322   1.106  -2.531
   84    H    TRP  17           H        TRP  17  -7.794  -0.827  -3.903
   85    HA   TRP  17           HA       TRP  17  -5.764   1.150  -2.908
   86   1HB   TRP  17          1HB       TRP  17  -6.249  -1.757  -2.430
   87   2HB   TRP  17          2HB       TRP  17  -4.575  -1.202  -2.466
   88    HD1  TRP  17           HD       TRP  17  -7.769  -0.976  -0.450
   89    HE1  TRP  17           1HE      TRP  17  -7.267   0.221   1.787
   90    HE3  TRP  17           3HE      TRP  17  -3.015   0.585  -1.361
   91    HZ2  TRP  17           2HZ      TRP  17  -5.094   1.648   3.022
   92    HZ3  TRP  17           3HZ      TRP  17  -1.750   1.853   0.344
   93    HH2  TRP  17           HH       TRP  17  -2.768   2.384   2.522
   94    H    GLU  18           H        GLU  18  -3.900   1.379  -4.195
   95    HA   GLU  18           HA       GLU  18  -3.684  -0.404  -6.597
   96   1HB   GLU  18          1HB       GLU  18  -4.438   2.370  -6.449
   97   2HB   GLU  18          2HB       GLU  18  -2.906   2.233  -7.303
   98   1HG   GLU  18          2HG       GLU  18  -4.549   1.974  -8.991
   99   2HG   GLU  18          1HG       GLU  18  -4.009   0.332  -8.636
  100    H    MET  19           H        MET  19  -1.753  -1.432  -5.691
  101    HA   MET  19           HA       MET  19   0.439   0.025  -4.580
  102   1HB   MET  19          1HB       MET  19   1.721  -2.017  -5.225
  103   2HB   MET  19          2HB       MET  19   0.266  -2.385  -4.318
  104   1HG   MET  19          1HG       MET  19  -0.683  -2.421  -6.892
  105   2HG   MET  19          2HG       MET  19   0.966  -2.982  -7.135
  106   1HE   MET  19          1HE       MET  19  -2.235  -3.244  -5.193
  107   2HE   MET  19          2HE       MET  19  -1.203  -3.543  -3.798
  108   3HE   MET  19          3HE       MET  19  -2.230  -4.833  -4.416
  109    H    ALA  20           H        ALA  20   1.639   1.487  -5.621
  110    HA   ALA  20           HA       ALA  20   2.272   1.077  -8.509
  111   1HB   ALA  20          1HB       ALA  20   1.893   3.774  -8.350
  112   2HB   ALA  20          2HB       ALA  20   0.725   3.220  -7.150
  113   3HB   ALA  20          3HB       ALA  20   0.618   2.646  -8.813
  114    H    LYS  21           H        LYS  21   3.760   3.465  -8.814
  115    HA   LYS  21           HA       LYS  21   5.835   3.128  -6.691
  116   1HB   LYS  21          2HB       LYS  21   7.490   3.444  -8.524
  117   2HB   LYS  21          1HB       LYS  21   6.446   2.054  -8.821
  118   1HG   LYS  21          1HG       LYS  21   5.053   3.371 -10.327
  119   2HG   LYS  21          2HG       LYS  21   5.974   4.828  -9.957
  120   1HD   LYS  21          1HD       LYS  21   7.009   4.163 -11.929
  121   2HD   LYS  21          2HD       LYS  21   8.021   3.339 -10.743
  122   1HE   LYS  21          1HE       LYS  21   7.464   1.346 -11.665
  123   2HE   LYS  21          2HE       LYS  21   5.752   1.666 -11.326
  124   1HZ   LYS  21          1HZ       LYS  21   6.468   1.456 -13.768
  125   2HZ   LYS  21          2HZ       LYS  21   7.153   2.998 -13.567
  126   3HZ   LYS  21          3HZ       LYS  21   5.484   2.772 -13.345
  127    H    THR  22           H        THR  22   6.661   4.960  -5.805
  128    HA   THR  22           HA       THR  22   5.879   7.578  -7.055
  129    HB   THR  22           HB       THR  22   4.425   6.961  -5.159
  130    HG1  THR  22           1HG      THR  22   5.165   9.155  -5.444
  131   1HG2  THR  22          1HG2      THR  22   7.032   6.819  -3.615
  132   2HG2  THR  22          2HG2      THR  22   6.018   5.442  -4.034
  133   3HG2  THR  22          3HG2      THR  22   5.423   6.664  -2.910
  134    H    SER  23           H        SER  23   7.119   9.192  -5.170
  135    HA   SER  23           HA       SER  23   9.233  10.208  -4.845
  136   1HB   SER  23          2HB       SER  23   9.115   8.619  -3.021
  137   2HB   SER  23          1HB       SER  23   9.645   7.307  -4.071
  138    HG   SER  23           HG       SER  23  11.630   7.935  -3.847
  139    H    SER  24           H        SER  24  10.847   7.173  -5.608
  140    HA   SER  24           HA       SER  24  11.472   8.020  -8.362
  141   1HB   SER  24          1HB       SER  24  13.307   8.182  -5.999
  142   2HB   SER  24          2HB       SER  24  13.991   7.778  -7.572
  143    HG   SER  24           HG       SER  24  13.505   9.713  -8.315
  144    H    GLY  25           H        GLY  25  12.201   5.800  -5.704
  145   1HA   GLY  25          2HA       GLY  25  11.966   3.527  -7.585
  146   2HA   GLY  25          1HA       GLY  25  13.483   3.678  -6.699
  147    H    GLN  26           H        GLN  26   9.971   3.828  -5.979
  148    HA   GLN  26           HA       GLN  26  10.306   1.750  -3.905
  149   1HB   GLN  26          1HB       GLN  26  10.917   4.141  -3.057
  150   2HB   GLN  26          2HB       GLN  26   9.180   4.437  -3.118
  151   1HG   GLN  26          1HG       GLN  26   8.758   3.067  -1.338
  152   2HG   GLN  26          2HG       GLN  26   9.997   1.904  -1.813
  153   1HE2  GLN  26          1HE2      GLN  26  12.276   2.447  -1.234
  154   2HE2  GLN  26          2HE2      GLN  26  12.591   3.517   0.047
  155    H    ARG  27           H        ARG  27   8.427   0.541  -3.842
  156    HA   ARG  27           HA       ARG  27   6.143   1.387  -5.476
  157   1HB   ARG  27          1HB       ARG  27   7.180  -1.050  -4.235
  158   2HB   ARG  27          2HB       ARG  27   5.435  -0.901  -4.045
  159   1HG   ARG  27          2HG       ARG  27   5.577  -1.918  -6.139
  160   2HG   ARG  27          1HG       ARG  27   5.495  -0.208  -6.574
  161   1HD   ARG  27          2HD       ARG  27   7.820  -0.101  -7.039
  162   2HD   ARG  27          1HD       ARG  27   8.155  -1.596  -6.144
  163    HE   ARG  27           HE       ARG  27   6.356  -2.401  -8.084
  164   1HH1  ARG  27          1HH2      ARG  27   9.370  -0.658  -8.135
  165   2HH1  ARG  27          2HH2      ARG  27   9.799  -1.228  -9.711
  166   1HH2  ARG  27          1HH1      ARG  27   6.936  -3.127 -10.127
  167   2HH2  ARG  27          2HH1      ARG  27   8.432  -2.615 -10.832
  168    H    TYR  28           H        TYR  28   4.504   2.575  -4.692
  169    HA   TYR  28           HA       TYR  28   4.017   2.508  -1.738
  170   1HB   TYR  28          1HB       TYR  28   3.156   4.740  -1.969
  171   2HB   TYR  28          2HB       TYR  28   4.627   4.701  -2.931
  172    HD1  TYR  28           1HD      TYR  28   4.459   4.409  -5.429
  173    HD2  TYR  28           2HD      TYR  28   1.021   5.159  -2.969
  174    HE1  TYR  28           1HE      TYR  28   3.160   5.070  -7.435
  175    HE2  TYR  28           2HE      TYR  28  -0.264   5.815  -4.982
  176    HH   TYR  28           HH       TYR  28   0.788   6.796  -7.590
  177    H    PHE  29           H        PHE  29   1.509   3.142  -1.466
  178    HA   PHE  29           HA       PHE  29   0.003   1.326  -3.279
  179   1HB   PHE  29          2HB       PHE  29   0.052   1.495  -0.248
  180   2HB   PHE  29          1HB       PHE  29  -1.105   0.521  -1.166
  181    HD1  PHE  29           1HD      PHE  29  -0.444  -1.426  -2.365
  182    HD2  PHE  29           2HD      PHE  29   2.533   0.984  -0.427
  183    HE1  PHE  29           1HE      PHE  29   1.250  -3.172  -2.826
  184    HE2  PHE  29           2HE      PHE  29   4.229  -0.770  -0.881
  185    HZ   PHE  29           HZ       PHE  29   3.589  -2.844  -2.081
  186    H    LEU  30           H        LEU  30  -0.788   3.033  -4.411
  187    HA   LEU  30           HA       LEU  30  -1.866   5.433  -3.459
  188   1HB   LEU  30          1HB       LEU  30  -1.339   4.359  -5.828
  189   2HB   LEU  30          2HB       LEU  30  -3.034   3.907  -5.781
  190    HG   LEU  30           HG       LEU  30  -3.722   6.014  -6.206
  191   1HD1  LEU  30          1HD2      LEU  30  -2.941   6.915  -4.000
  192   2HD1  LEU  30          2HD2      LEU  30  -2.870   8.078  -5.319
  193   3HD1  LEU  30          3HD2      LEU  30  -1.400   7.285  -4.771
  194   1HD2  LEU  30          1HD1      LEU  30  -2.547   6.759  -7.957
  195   2HD2  LEU  30          2HD1      LEU  30  -1.466   5.414  -7.590
  196   3HD2  LEU  30          3HD1      LEU  30  -1.106   7.028  -6.977
  197    H    ASN  31           H        ASN  31  -3.195   5.264  -1.682
  198    HA   ASN  31           HA       ASN  31  -5.311   3.297  -1.399
  199   1HB   ASN  31          1HB       ASN  31  -4.151   4.183   0.518
  200   2HB   ASN  31          2HB       ASN  31  -4.467   5.843   0.019
  201   1HD2  ASN  31          1HD2      ASN  31  -5.391   3.713   2.303
  202   2HD2  ASN  31          2HD2      ASN  31  -7.010   4.164   2.512
  203    H    HIS  32           H        HIS  32  -6.969   3.486  -2.926
  204    HA   HIS  32           HA       HIS  32  -7.972   6.108  -3.779
  205   1HB   HIS  32          1HB       HIS  32  -7.914   3.469  -4.736
  206   2HB   HIS  32          2HB       HIS  32  -9.617   3.793  -4.411
  207    HD1  HIS  32           1HD      HIS  32 -10.440   6.254  -5.422
  208    HD2  HIS  32           2HD      HIS  32  -7.095   4.481  -7.170
  209    HE1  HIS  32           1HE      HIS  32 -10.133   7.369  -7.676
  210    H    ILE  33           H        ILE  33  -8.854   3.584  -1.524
  211    HA   ILE  33           HA       ILE  33 -11.548   4.137  -0.980
  212    HB   ILE  33           HB       ILE  33 -10.955   3.285   1.309
  213   1HG1  ILE  33          1HG1      ILE  33  -8.123   3.429   0.227
  214   2HG1  ILE  33          2HG1      ILE  33  -8.775   4.381   1.560
  215   1HG2  ILE  33          1HG2      ILE  33 -10.472   1.111   0.547
  216   2HG2  ILE  33          2HG2      ILE  33  -9.460   1.703  -0.770
  217   3HG2  ILE  33          3HG2      ILE  33 -11.213   1.879  -0.858
  218   1HD1  ILE  33          1HD1      ILE  33  -9.011   2.481   2.955
  219   2HD1  ILE  33          2HD1      ILE  33  -7.437   2.275   2.186
  220   3HD1  ILE  33          3HD1      ILE  33  -8.830   1.364   1.603
  221    H    ASP  34           H        ASP  34  -8.671   5.790   0.284
  222    HA   ASP  34           HA       ASP  34 -10.456   7.997   1.258
  223   1HB   ASP  34          1HB       ASP  34  -8.507   6.306   2.584
  224   2HB   ASP  34          2HB       ASP  34  -8.042   8.002   2.716
  225    H    GLN  35           H        GLN  35  -8.608   7.415  -1.252
  226    HA   GLN  35           HA       GLN  35  -7.217   8.709  -2.652
  227   1HB   GLN  35          1HB       GLN  35  -8.785  10.622  -0.953
  228   2HB   GLN  35          2HB       GLN  35  -7.563  11.259  -2.052
  229   1HG   GLN  35          1HG       GLN  35  -9.160   9.243  -3.383
  230   2HG   GLN  35          2HG       GLN  35 -10.198  10.499  -2.704
  231   1HE2  GLN  35          1HE2      GLN  35 -10.621  11.948  -4.388
  232   2HE2  GLN  35          2HE2      GLN  35  -9.446  12.589  -5.432
  233    H    THR  36           H        THR  36  -5.340   7.672  -1.442
  234    HA   THR  36           HA       THR  36  -3.534   9.774  -0.446
  235    HB   THR  36           HB       THR  36  -3.895   7.409   1.358
  236    HG1  THR  36           1HG      THR  36  -5.518   9.722   1.506
  237   1HG2  THR  36          1HG2      THR  36  -2.896  10.213   1.490
  238   2HG2  THR  36          2HG2      THR  36  -2.216   8.743   2.187
  239   3HG2  THR  36          3HG2      THR  36  -3.593   9.531   2.959
  240    H    THR  37           H        THR  37  -1.424   8.364   0.419
  241    HA   THR  37           HA       THR  37  -1.015   6.078  -1.470
  242    HB   THR  37           HB       THR  37   1.163   7.083  -2.103
  243    HG1  THR  37           1HG      THR  37   1.425   8.288  -0.167
  244   1HG2  THR  37          1HG2      THR  37  -1.389   7.939  -2.892
  245   2HG2  THR  37          2HG2      THR  37   0.119   8.156  -3.779
  246   3HG2  THR  37          3HG2      THR  37  -0.454   9.419  -2.687
  247    H    THR  38           H        THR  38  -0.844   4.526   0.169
  248    HA   THR  38           HA       THR  38   0.886   5.051   2.521
  249    HB   THR  38           HB       THR  38  -1.249   3.191   1.639
  250    HG1  THR  38           1HG      THR  38  -1.973   4.303   3.242
  251   1HG2  THR  38          1HG2      THR  38   0.194   1.376   1.986
  252   2HG2  THR  38          2HG2      THR  38  -0.526   1.588   3.582
  253   3HG2  THR  38          3HG2      THR  38   1.092   2.207   3.256
  254    H    TRP  39           H        TRP  39   3.027   4.352   2.570
  255    HA   TRP  39           HA       TRP  39   4.195   3.118   0.200
  256   1HB   TRP  39          2HB       TRP  39   5.343   3.500   2.988
  257   2HB   TRP  39          1HB       TRP  39   6.260   3.269   1.504
  258    HD1  TRP  39           HD       TRP  39   4.082   5.851   3.309
  259    HE1  TRP  39           1HE      TRP  39   4.588   8.181   2.330
  260    HE3  TRP  39           3HE      TRP  39   7.124   4.551  -0.598
  261    HZ2  TRP  39           2HZ      TRP  39   6.082   9.336   0.203
  262    HZ3  TRP  39           3HZ      TRP  39   8.078   6.291  -2.066
  263    HH2  TRP  39           HH       TRP  39   7.561   8.681  -1.678
  264    H    GLN  40           H        GLN  40   3.647   2.015   3.564
  265    HA   GLN  40           HA       GLN  40   3.035  -0.691   2.761
  266   1HB   GLN  40          2HB       GLN  40   5.768   0.077   2.802
  267   2HB   GLN  40          1HB       GLN  40   5.516  -0.956   4.208
  268   1HG   GLN  40          2HG       GLN  40   4.109  -2.311   2.289
  269   2HG   GLN  40          1HG       GLN  40   5.427  -1.631   1.335
  270   1HE2  GLN  40          1HE2      GLN  40   7.438  -1.652   3.438
  271   2HE2  GLN  40          2HE2      GLN  40   7.816  -3.275   3.765
  272    H    ASP  41           H        ASP  41   1.900  -1.571   4.453
  273    HA   ASP  41           HA       ASP  41   2.644  -1.364   7.219
  274   1HB   ASP  41          1HB       ASP  41   1.177   0.851   6.012
  275   2HB   ASP  41          2HB       ASP  41   0.291   0.150   7.368
  276    HA   PRO  42           HA       PRO  42  -1.744  -3.212   6.983
  277   1HB   PRO  42          1HB       PRO  42  -3.167  -2.975   4.659
  278   2HB   PRO  42          2HB       PRO  42  -3.234  -1.769   5.958
  279   1HG   PRO  42          1HG       PRO  42  -1.713  -1.723   3.396
  280   2HG   PRO  42          2HG       PRO  42  -2.553  -0.410   4.231
  281   1HD   PRO  42          2HD       PRO  42   0.155  -0.770   4.302
  282   2HD   PRO  42          1HD       PRO  42  -0.766   0.032   5.591
  283    H    ARG  43           H        ARG  43  -0.702  -5.238   6.915
  284    HA   ARG  43           HA       ARG  43   0.028  -7.290   5.995
  285   1HB   ARG  43          2HB       ARG  43  -2.331  -6.307   4.624
  286   2HB   ARG  43          1HB       ARG  43  -1.341  -7.272   3.527
  287   1HG   ARG  43          1HG       ARG  43  -1.890  -9.188   4.590
  288   2HG   ARG  43          2HG       ARG  43  -1.509  -8.493   6.166
  289   1HD   ARG  43          2HD       ARG  43  -3.700  -7.646   6.453
  290   2HD   ARG  43          1HD       ARG  43  -4.064  -7.758   4.720
  291    HE   ARG  43           HE       ARG  43  -4.207  -9.951   6.645
  292   1HH1  ARG  43          1HH2      ARG  43  -3.626  -9.082   3.324
  293   2HH1  ARG  43          2HH2      ARG  43  -4.075 -10.641   2.724
  294   1HH2  ARG  43          1HH1      ARG  43  -4.784 -11.965   5.841
  295   2HH2  ARG  43          2HH1      ARG  43  -4.726 -12.262   4.135
  296    H    LYS  44           H        LYS  44   2.231  -6.732   5.563
  297    HA   LYS  44           HA       LYS  44   3.260  -5.141   3.490
  298   1HB   LYS  44          2HB       LYS  44   4.279  -7.720   4.726
  299   2HB   LYS  44          1HB       LYS  44   5.273  -6.618   3.771
  300   1HG   LYS  44          1HG       LYS  44   4.725  -4.790   5.382
  301   2HG   LYS  44          2HG       LYS  44   3.840  -5.959   6.363
  302   1HD   LYS  44          1HD       LYS  44   6.271  -7.218   5.959
  303   2HD   LYS  44          2HD       LYS  44   6.734  -5.524   6.133
  304   1HE   LYS  44          2HE       LYS  44   5.718  -5.367   8.294
  305   2HE   LYS  44          1HE       LYS  44   4.847  -6.897   8.073
  306   1HZ   LYS  44          1HZ       LYS  44   6.819  -8.117   8.162
  307   2HZ   LYS  44          2HZ       LYS  44   7.033  -6.955   9.384
  308   3HZ   LYS  44          3HZ       LYS  44   7.795  -6.760   7.877
  309   1H    ACE  45          1H        ACE  45   8.548  14.293   4.533
  310   2H    ACE  45          2H        ACE  45   7.154  15.191   3.935
  311   3H    ACE  45          3H        ACE  45   8.319  14.514   2.798
  312    HA   PRO  46           HA       PRO  46   7.674  13.375   1.234
  313   1HB   PRO  46          2HB       PRO  46   8.758  11.134   0.101
  314   2HB   PRO  46          1HB       PRO  46   9.711  12.292   1.050
  315   1HG   PRO  46          2HG       PRO  46   8.592   9.655   1.851
  316   2HG   PRO  46          1HG       PRO  46  10.145  10.397   2.267
  317   1HD   PRO  46          2HD       PRO  46   8.009  10.340   3.955
  318   2HD   PRO  46          1HD       PRO  46   9.258  11.601   3.995
  319    H    LEU  47           H        LEU  47   5.315  11.733   2.449
  320    HA   LEU  47           HA       LEU  47   4.273   9.844   0.665
  321   1HB   LEU  47          2HB       LEU  47   3.280  10.433   2.812
  322   2HB   LEU  47          1HB       LEU  47   2.914  12.058   2.229
  323    HG   LEU  47           HG       LEU  47   1.784  10.340   0.320
  324   1HD1  LEU  47          1HD2      LEU  47   2.065   8.478   1.928
  325   2HD1  LEU  47          2HD2      LEU  47   0.360   8.852   1.671
  326   3HD1  LEU  47          3HD2      LEU  47   1.173   9.397   3.140
  327   1HD2  LEU  47          1HD1      LEU  47   1.051  12.549   1.668
  328   2HD2  LEU  47          2HD1      LEU  47   0.090  11.362   2.549
  329   3HD2  LEU  47          3HD1      LEU  47  -0.113  11.544   0.807
  330    HA   PRO  48           HA       PRO  48   3.854  12.377  -3.001
  331   1HB   PRO  48          2HB       PRO  48   2.512  10.538  -4.531
  332   2HB   PRO  48          1HB       PRO  48   4.263  10.474  -4.249
  333   1HG   PRO  48          1HG       PRO  48   2.064   8.962  -2.911
  334   2HG   PRO  48          2HG       PRO  48   3.646   8.389  -3.457
  335   1HD   PRO  48          1HD       PRO  48   3.114   8.965  -0.864
  336   2HD   PRO  48          2HD       PRO  48   4.722   9.191  -1.583
  337    HA   PRO  49           HA       PRO  49  -0.270  13.854  -2.229
  338   1HB   PRO  49          2HB       PRO  49  -0.425  15.677  -4.264
  339   2HB   PRO  49          1HB       PRO  49   0.503  15.961  -2.780
  340   1HG   PRO  49          2HG       PRO  49   1.444  15.123  -5.479
  341   2HG   PRO  49          1HG       PRO  49   2.191  16.228  -4.318
  342   1HD   PRO  49          2HD       PRO  49   2.987  13.636  -4.695
  343   2HD   PRO  49          1HD       PRO  49   3.212  14.529  -3.175
  344    H    TYR  50           H        TYR  50  -2.324  13.297  -3.013
  345    HA   TYR  50           HA       TYR  50  -2.419  11.505  -5.353
  346   1HB   TYR  50          2HB       TYR  50  -3.570  11.371  -2.980
  347   2HB   TYR  50          1HB       TYR  50  -4.782  12.409  -3.729
  348    HD1  TYR  50           1HD      TYR  50  -5.159  11.560  -6.382
  349    HD2  TYR  50           2HD      TYR  50  -4.207   9.132  -2.969
  350    HE1  TYR  50           1HE      TYR  50  -6.158   9.588  -7.506
  351    HE2  TYR  50           2HE      TYR  50  -5.205   7.161  -4.093
  352    HH   TYR  50           HH       TYR  50  -7.077   7.444  -6.980
  Start of MODEL   11
    1    H    PHE   5           H        PHE   5   3.497 -15.129  16.209
    2    HA   PHE   5           HA       PHE   5   4.322 -13.769  13.828
    3   1HB   PHE   5          2HB       PHE   5   1.554 -14.434  14.883
    4   2HB   PHE   5          1HB       PHE   5   1.964 -14.118  13.197
    5    HD1  PHE   5           1HD      PHE   5   4.048 -15.575  12.312
    6    HD2  PHE   5           2HD      PHE   5   1.450 -16.660  15.557
    7    HE1  PHE   5           1HE      PHE   5   4.673 -17.957  12.017
    8    HE2  PHE   5           2HE      PHE   5   2.076 -19.040  15.262
    9    HZ   PHE   5           HZ       PHE   5   3.686 -19.690  13.492
   10    H    GLU   6           H        GLU   6   2.642 -11.956  12.972
   11    HA   GLU   6           HA       GLU   6   2.622  -9.800  15.058
   12   1HB   GLU   6          2HB       GLU   6   3.313  -9.978  12.161
   13   2HB   GLU   6          1HB       GLU   6   2.559  -8.480  12.708
   14   1HG   GLU   6          2HG       GLU   6   4.422  -7.832  13.821
   15   2HG   GLU   6          1HG       GLU   6   4.652  -9.431  14.527
   16    H    ILE   7           H        ILE   7   0.926 -10.730  12.032
   17    HA   ILE   7           HA       ILE   7  -1.602  -9.667  13.254
   18    HB   ILE   7           HB       ILE   7  -0.744  -9.910  10.350
   19   1HG1  ILE   7          1HG1      ILE   7  -0.980  -7.449  12.111
   20   2HG1  ILE   7          2HG1      ILE   7   0.544  -8.232  11.697
   21   1HG2  ILE   7          1HG2      ILE   7  -3.042  -8.302  11.469
   22   2HG2  ILE   7          2HG2      ILE   7  -3.248  -9.982  10.973
   23   3HG2  ILE   7          3HG2      ILE   7  -2.747  -8.769   9.795
   24   1HD1  ILE   7          1HD1      ILE   7   0.292  -7.722   9.381
   25   2HD1  ILE   7          2HD1      ILE   7  -0.144  -6.241  10.233
   26   3HD1  ILE   7          3HD1      ILE   7  -1.406  -7.289   9.585
   27    HA   PRO   8           HA       PRO   8  -3.084 -13.816  12.918
   28   1HB   PRO   8          1HB       PRO   8  -5.780 -13.320  13.003
   29   2HB   PRO   8          2HB       PRO   8  -4.730 -13.257  14.430
   30   1HG   PRO   8          2HG       PRO   8  -5.801 -11.034  12.759
   31   2HG   PRO   8          1HG       PRO   8  -5.569 -11.118  14.509
   32   1HD   PRO   8          2HD       PRO   8  -3.875  -9.807  12.811
   33   2HD   PRO   8          1HD       PRO   8  -3.375 -10.487  14.373
   34    H    ASP   9           H        ASP   9  -5.802 -12.250  11.280
   35    HA   ASP   9           HA       ASP   9  -5.890 -13.994   9.080
   36   1HB   ASP   9          2HB       ASP   9  -6.986 -11.425   9.923
   37   2HB   ASP   9          1HB       ASP   9  -6.800 -11.511   8.171
   38    H    ASP  10           H        ASP  10  -4.004 -11.020   9.507
   39    HA   ASP  10           HA       ASP  10  -2.295 -10.075   8.175
   40   1HB   ASP  10          1HB       ASP  10  -1.286 -12.215   8.783
   41   2HB   ASP  10          2HB       ASP  10  -2.143 -13.024   7.470
   42    H    VAL  11           H        VAL  11  -4.523  -9.357   6.975
   43    HA   VAL  11           HA       VAL  11  -4.690 -10.461   4.231
   44    HB   VAL  11           HB       VAL  11  -6.220  -8.252   5.645
   45   1HG1  VAL  11          1HG2      VAL  11  -6.885  -9.893   3.180
   46   2HG1  VAL  11          2HG2      VAL  11  -6.358  -8.209   3.165
   47   3HG1  VAL  11          3HG2      VAL  11  -7.903  -8.645   3.899
   48   1HG2  VAL  11          1HG1      VAL  11  -7.921 -10.365   5.504
   49   2HG2  VAL  11          2HG1      VAL  11  -6.909 -10.030   6.909
   50   3HG2  VAL  11          3HG1      VAL  11  -6.387 -11.213   5.711
   51    HA   PRO  12           HA       PRO  12  -2.084  -7.257   2.628
   52   1HB   PRO  12          2HB       PRO  12  -2.836  -7.381  -0.003
   53   2HB   PRO  12          1HB       PRO  12  -1.802  -8.599   0.762
   54   1HG   PRO  12          1HG       PRO  12  -4.720  -8.673   0.173
   55   2HG   PRO  12          2HG       PRO  12  -3.506  -9.949   0.010
   56   1HD   PRO  12          1HD       PRO  12  -5.255  -9.792   2.097
   57   2HD   PRO  12          2HD       PRO  12  -3.648 -10.535   2.227
   58    H    LEU  13           H        LEU  13  -2.835  -5.557   0.472
   59    HA   LEU  13           HA       LEU  13  -4.383  -3.552   1.802
   60   1HB   LEU  13          2HB       LEU  13  -3.771  -3.947  -1.147
   61   2HB   LEU  13          1HB       LEU  13  -4.200  -2.420  -0.375
   62    HG   LEU  13           HG       LEU  13  -2.083  -3.380   1.167
   63   1HD1  LEU  13          1HD2      LEU  13  -0.873  -3.440  -1.503
   64   2HD1  LEU  13          2HD2      LEU  13  -1.958  -4.798  -1.211
   65   3HD1  LEU  13          3HD2      LEU  13  -0.600  -4.506  -0.125
   66   1HD2  LEU  13          1HD1      LEU  13  -2.111  -1.412  -1.142
   67   2HD2  LEU  13          2HD1      LEU  13  -0.819  -1.532   0.054
   68   3HD2  LEU  13          3HD1      LEU  13  -2.440  -1.046   0.551
   69    HA   PRO  14           HA       PRO  14  -8.431  -5.125   0.878
   70   1HB   PRO  14          2HB       PRO  14  -9.878  -2.873   1.446
   71   2HB   PRO  14          1HB       PRO  14  -9.191  -3.927   2.697
   72   1HG   PRO  14          2HG       PRO  14  -8.208  -1.319   1.657
   73   2HG   PRO  14          1HG       PRO  14  -8.185  -1.955   3.307
   74   1HD   PRO  14          2HD       PRO  14  -6.006  -1.923   1.639
   75   2HD   PRO  14          1HD       PRO  14  -6.218  -3.070   2.976
   76    H    ALA  15           H        ALA  15 -10.523  -3.626  -0.223
   77    HA   ALA  15           HA       ALA  15  -9.754  -3.504  -3.021
   78   1HB   ALA  15          1HB       ALA  15 -12.039  -3.924  -1.556
   79   2HB   ALA  15          2HB       ALA  15 -12.017  -3.606  -3.289
   80   3HB   ALA  15          3HB       ALA  15 -12.301  -2.286  -2.155
   81    H    GLY  16           H        GLY  16 -10.471  -1.474  -4.326
   82   1HA   GLY  16          1HA       GLY  16 -10.166   0.798  -4.814
   83   2HA   GLY  16          2HA       GLY  16 -10.494   1.115  -3.112
   84    H    TRP  17           H        TRP  17  -7.910  -1.082  -3.643
   85    HA   TRP  17           HA       TRP  17  -5.959   1.089  -2.984
   86   1HB   TRP  17          1HB       TRP  17  -6.441  -1.724  -2.185
   87   2HB   TRP  17          2HB       TRP  17  -4.748  -1.257  -2.349
   88    HD1  TRP  17           HD       TRP  17  -7.800  -0.739  -0.204
   89    HE1  TRP  17           1HE      TRP  17  -7.172   0.726   1.829
   90    HE3  TRP  17           3HE      TRP  17  -3.128   0.719  -1.604
   91    HZ2  TRP  17           2HZ      TRP  17  -4.955   2.314   2.733
   92    HZ3  TRP  17           3HZ      TRP  17  -1.787   2.204  -0.158
   93    HH2  TRP  17           HH       TRP  17  -2.678   3.002   2.003
   94    H    GLU  18           H        GLU  18  -4.015   1.221  -4.198
   95    HA   GLU  18           HA       GLU  18  -3.743  -0.711  -6.476
   96   1HB   GLU  18          1HB       GLU  18  -4.337   2.139  -6.475
   97   2HB   GLU  18          2HB       GLU  18  -2.874   1.787  -7.388
   98   1HG   GLU  18          1HG       GLU  18  -4.381   1.364  -9.060
   99   2HG   GLU  18          2HG       GLU  18  -4.439  -0.219  -8.285
  100    H    MET  19           H        MET  19  -1.876  -1.734  -5.497
  101    HA   MET  19           HA       MET  19   0.336  -0.244  -4.409
  102   1HB   MET  19          1HB       MET  19   1.526  -2.409  -4.734
  103   2HB   MET  19          2HB       MET  19  -0.007  -2.621  -3.917
  104   1HG   MET  19          1HG       MET  19  -0.807  -2.904  -6.499
  105   2HG   MET  19          2HG       MET  19   0.852  -3.473  -6.637
  106   1HE   MET  19          1HE       MET  19  -2.705  -4.730  -4.432
  107   2HE   MET  19          2HE       MET  19  -1.833  -3.211  -4.240
  108   3HE   MET  19          3HE       MET  19  -1.534  -4.537  -3.120
  109    H    ALA  20           H        ALA  20   1.782   0.936  -5.549
  110    HA   ALA  20           HA       ALA  20   2.572   0.134  -8.278
  111   1HB   ALA  20          1HB       ALA  20   0.719   1.390  -8.939
  112   2HB   ALA  20          2HB       ALA  20   1.916   2.677  -8.847
  113   3HB   ALA  20          3HB       ALA  20   0.789   2.427  -7.518
  114    H    LYS  21           H        LYS  21   3.756   2.882  -8.714
  115    HA   LYS  21           HA       LYS  21   5.689   2.855  -6.440
  116   1HB   LYS  21          2HB       LYS  21   6.623   1.715  -8.385
  117   2HB   LYS  21          1HB       LYS  21   6.195   3.074  -9.422
  118   1HG   LYS  21          2HG       LYS  21   7.713   4.529  -8.083
  119   2HG   LYS  21          1HG       LYS  21   8.187   3.121  -7.135
  120   1HD   LYS  21          1HD       LYS  21   9.855   3.409  -8.847
  121   2HD   LYS  21          2HD       LYS  21   8.876   2.015  -9.308
  122   1HE   LYS  21          1HE       LYS  21   7.716   3.243 -10.980
  123   2HE   LYS  21          2HE       LYS  21   8.235   4.802 -10.309
  124   1HZ   LYS  21          1HZ       LYS  21  10.171   2.756 -11.236
  125   2HZ   LYS  21          2HZ       LYS  21  10.447   4.407 -10.942
  126   3HZ   LYS  21          3HZ       LYS  21   9.539   3.921 -12.293
  127    H    THR  22           H        THR  22   6.865   4.855  -6.104
  128    HA   THR  22           HA       THR  22   5.351   7.233  -7.151
  129    HB   THR  22           HB       THR  22   4.680   7.056  -4.916
  130    HG1  THR  22           1HG      THR  22   5.360   9.081  -5.012
  131   1HG2  THR  22          1HG2      THR  22   6.311   5.218  -4.326
  132   2HG2  THR  22          2HG2      THR  22   6.078   6.410  -3.054
  133   3HG2  THR  22          3HG2      THR  22   7.529   6.464  -4.055
  134    H    SER  23           H        SER  23   6.739   9.309  -6.537
  135    HA   SER  23           HA       SER  23   8.903   9.556  -8.245
  136   1HB   SER  23          1HB       SER  23   9.272  11.610  -7.138
  137   2HB   SER  23          2HB       SER  23   7.582  11.250  -6.787
  138    HG   SER  23           HG       SER  23   9.414  11.728  -5.048
  139    H    SER  24           H        SER  24   9.125   8.733  -4.761
  140    HA   SER  24           HA       SER  24  11.918   8.605  -4.505
  141   1HB   SER  24          1HB       SER  24  10.765   8.331  -2.520
  142   2HB   SER  24          2HB       SER  24   9.541   7.303  -3.261
  143    HG   SER  24           HG       SER  24  10.651   5.650  -2.654
  144    H    GLY  25           H        GLY  25   9.787   6.468  -6.228
  145   1HA   GLY  25          2HA       GLY  25  10.620   4.953  -7.931
  146   2HA   GLY  25          1HA       GLY  25  12.146   4.854  -7.049
  147    H    GLN  26           H        GLN  26  10.591   4.558  -4.471
  148    HA   GLN  26           HA       GLN  26  10.522   1.666  -4.413
  149   1HB   GLN  26          2HB       GLN  26   9.590   3.851  -2.524
  150   2HB   GLN  26          1HB       GLN  26   9.640   2.141  -2.093
  151   1HG   GLN  26          2HG       GLN  26  12.153   2.880  -3.276
  152   2HG   GLN  26          1HG       GLN  26  11.768   4.021  -1.988
  153   1HE2  GLN  26          1HE2      GLN  26  12.431   0.609  -2.685
  154   2HE2  GLN  26          2HE2      GLN  26  12.613   0.132  -1.067
  155    H    ARG  27           H        ARG  27   8.565   0.387  -3.842
  156    HA   ARG  27           HA       ARG  27   6.281   1.151  -5.494
  157   1HB   ARG  27          1HB       ARG  27   7.311  -1.227  -4.142
  158   2HB   ARG  27          2HB       ARG  27   5.570  -1.061  -3.941
  159   1HG   ARG  27          2HG       ARG  27   5.637  -2.146  -5.989
  160   2HG   ARG  27          1HG       ARG  27   5.650  -0.457  -6.512
  161   1HD   ARG  27          2HD       ARG  27   7.957  -0.509  -7.014
  162   2HD   ARG  27          1HD       ARG  27   8.244  -1.925  -5.984
  163    HE   ARG  27           HE       ARG  27   7.243  -1.982  -8.726
  164   1HH1  ARG  27          1HH2      ARG  27   7.219  -3.577  -5.632
  165   2HH1  ARG  27          2HH2      ARG  27   6.839  -5.122  -6.309
  166   1HH2  ARG  27          1HH1      ARG  27   6.748  -3.997  -9.581
  167   2HH2  ARG  27          2HH1      ARG  27   6.572  -5.360  -8.528
  168    H    TYR  28           H        TYR  28   4.770   2.492  -4.761
  169    HA   TYR  28           HA       TYR  28   4.184   2.485  -1.833
  170   1HB   TYR  28          1HB       TYR  28   3.568   4.747  -2.027
  171   2HB   TYR  28          2HB       TYR  28   4.943   4.613  -3.106
  172    HD1  TYR  28           1HD      TYR  28   3.124   3.061  -5.286
  173    HD2  TYR  28           2HD      TYR  28   2.806   6.777  -3.161
  174    HE1  TYR  28           1HE      TYR  28   1.836   4.013  -7.150
  175    HE2  TYR  28           2HE      TYR  28   1.495   7.717  -5.028
  176    HH   TYR  28           HH       TYR  28   1.227   7.325  -7.461
  177    H    PHE  29           H        PHE  29   1.799   3.086  -1.462
  178    HA   PHE  29           HA       PHE  29   0.175   1.399  -3.305
  179   1HB   PHE  29          2HB       PHE  29   0.264   1.583  -0.277
  180   2HB   PHE  29          1HB       PHE  29  -0.948   0.654  -1.173
  181    HD1  PHE  29           1HD      PHE  29  -0.424  -1.448  -2.118
  182    HD2  PHE  29           2HD      PHE  29   2.764   1.056  -0.706
  183    HE1  PHE  29           1HE      PHE  29   1.193  -3.276  -2.540
  184    HE2  PHE  29           2HE      PHE  29   4.376  -0.777  -1.123
  185    HZ   PHE  29           HZ       PHE  29   3.593  -2.941  -2.041
  186    H    LEU  30           H        LEU  30  -0.894   2.849  -4.408
  187    HA   LEU  30           HA       LEU  30  -1.813   5.403  -3.394
  188   1HB   LEU  30          1HB       LEU  30  -1.174   4.236  -5.783
  189   2HB   LEU  30          2HB       LEU  30  -2.924   4.192  -5.869
  190    HG   LEU  30           HG       LEU  30  -3.076   6.581  -5.643
  191   1HD1  LEU  30          1HD2      LEU  30  -0.499   6.308  -4.398
  192   2HD1  LEU  30          2HD2      LEU  30  -1.550   7.721  -4.469
  193   3HD1  LEU  30          3HD2      LEU  30  -0.371   7.438  -5.743
  194   1HD2  LEU  30          1HD1      LEU  30  -2.691   6.227  -7.884
  195   2HD2  LEU  30          2HD1      LEU  30  -1.145   5.427  -7.596
  196   3HD2  LEU  30          3HD1      LEU  30  -1.258   7.185  -7.510
  197    H    ASN  31           H        ASN  31  -3.435   5.429  -1.923
  198    HA   ASN  31           HA       ASN  31  -5.564   3.394  -1.915
  199   1HB   ASN  31          1HB       ASN  31  -4.451   4.234   0.138
  200   2HB   ASN  31          2HB       ASN  31  -5.025   5.859  -0.223
  201   1HD2  ASN  31          1HD2      ASN  31  -5.677   4.099   2.112
  202   2HD2  ASN  31          2HD2      ASN  31  -7.359   3.928   2.096
  203    H    HIS  32           H        HIS  32  -7.096   3.735  -3.506
  204    HA   HIS  32           HA       HIS  32  -7.884   6.428  -4.358
  205   1HB   HIS  32          1HB       HIS  32  -7.972   3.742  -5.298
  206   2HB   HIS  32          2HB       HIS  32  -9.634   4.327  -5.242
  207    HD1  HIS  32           1HD      HIS  32  -9.886   6.883  -6.342
  208    HD2  HIS  32           2HD      HIS  32  -6.658   4.554  -7.584
  209    HE1  HIS  32           1HE      HIS  32  -9.072   7.889  -8.519
  210    H    ILE  33           H        ILE  33  -8.703   4.563  -1.684
  211    HA   ILE  33           HA       ILE  33 -11.578   5.292  -1.647
  212    HB   ILE  33           HB       ILE  33 -10.231   4.240   0.800
  213   1HG1  ILE  33          1HG1      ILE  33 -10.375   2.641  -1.776
  214   2HG1  ILE  33          2HG1      ILE  33  -8.963   2.925  -0.766
  215   1HG2  ILE  33          1HG2      ILE  33 -12.323   3.486   1.210
  216   2HG2  ILE  33          2HG2      ILE  33 -12.481   2.786  -0.401
  217   3HG2  ILE  33          3HG2      ILE  33 -12.810   4.501  -0.149
  218   1HD1  ILE  33          1HD1      ILE  33 -11.190   0.991  -0.390
  219   2HD1  ILE  33          2HD1      ILE  33 -10.557   1.760   1.066
  220   3HD1  ILE  33          3HD1      ILE  33  -9.482   0.835   0.017
  221    H    ASP  34           H        ASP  34  -8.839   5.705   0.580
  222    HA   ASP  34           HA       ASP  34 -10.054   8.201   1.637
  223   1HB   ASP  34          2HB       ASP  34  -8.054   6.168   2.437
  224   2HB   ASP  34          1HB       ASP  34  -7.696   7.812   2.964
  225    H    GLN  35           H        GLN  35  -8.422   7.655  -1.083
  226    HA   GLN  35           HA       GLN  35  -6.879   8.863  -2.399
  227   1HB   GLN  35          2HB       GLN  35  -7.896  11.060  -0.567
  228   2HB   GLN  35          1HB       GLN  35  -7.210  11.281  -2.176
  229   1HG   GLN  35          1HG       GLN  35  -9.099   9.614  -2.914
  230   2HG   GLN  35          2HG       GLN  35  -9.859  10.091  -1.394
  231   1HE2  GLN  35          1HE2      GLN  35 -10.615  10.756  -4.280
  232   2HE2  GLN  35          2HE2      GLN  35 -10.698  12.451  -4.318
  233    H    THR  36           H        THR  36  -5.148   7.603  -1.085
  234    HA   THR  36           HA       THR  36  -3.243   9.598   0.015
  235    HB   THR  36           HB       THR  36  -3.572   7.198   1.718
  236    HG1  THR  36           1HG      THR  36  -5.700   7.517   1.586
  237   1HG2  THR  36          1HG2      THR  36  -3.720   9.971   2.761
  238   2HG2  THR  36          2HG2      THR  36  -2.230   9.527   1.929
  239   3HG2  THR  36          3HG2      THR  36  -2.768   8.600   3.331
  240    H    THR  37           H        THR  37  -1.149   8.274   0.713
  241    HA   THR  37           HA       THR  37  -0.752   5.917  -1.084
  242    HB   THR  37           HB       THR  37   1.216   6.936  -2.052
  243    HG1  THR  37           1HG      THR  37   0.701   9.150  -0.361
  244   1HG2  THR  37          1HG2      THR  37   0.137   8.369  -3.454
  245   2HG2  THR  37          2HG2      THR  37  -0.513   9.336  -2.131
  246   3HG2  THR  37          3HG2      THR  37  -1.289   7.817  -2.578
  247    H    THR  38           H        THR  38   0.030   4.341   0.260
  248    HA   THR  38           HA       THR  38   1.907   5.196   2.449
  249    HB   THR  38           HB       THR  38  -0.280   4.161   3.122
  250    HG1  THR  38           1HG      THR  38   2.022   2.576   3.597
  251   1HG2  THR  38          1HG2      THR  38  -0.686   1.806   2.641
  252   2HG2  THR  38          2HG2      THR  38   0.833   1.699   1.749
  253   3HG2  THR  38          3HG2      THR  38  -0.487   2.688   1.130
  254    H    TRP  39           H        TRP  39   3.855   3.902   2.676
  255    HA   TRP  39           HA       TRP  39   4.725   2.684   0.128
  256   1HB   TRP  39          1HB       TRP  39   6.225   2.965   2.751
  257   2HB   TRP  39          2HB       TRP  39   6.918   2.776   1.144
  258    HD1  TRP  39           HD       TRP  39   5.031   5.330   3.303
  259    HE1  TRP  39           1HE      TRP  39   5.503   7.692   2.380
  260    HE3  TRP  39           3HE      TRP  39   7.629   4.142  -0.948
  261    HZ2  TRP  39           2HZ      TRP  39   6.814   8.910   0.170
  262    HZ3  TRP  39           3HZ      TRP  39   8.484   5.924  -2.423
  263    HH2  TRP  39           HH       TRP  39   8.076   8.308  -1.879
  264    H    GLN  40           H        GLN  40   4.008   1.681   3.453
  265    HA   GLN  40           HA       GLN  40   3.573  -1.075   2.616
  266   1HB   GLN  40          2HB       GLN  40   6.181  -0.405   2.921
  267   2HB   GLN  40          1HB       GLN  40   5.794  -0.855   4.582
  268   1HG   GLN  40          1HG       GLN  40   4.742  -2.979   3.588
  269   2HG   GLN  40          2HG       GLN  40   5.566  -2.549   2.088
  270   1HE2  GLN  40          1HE2      GLN  40   5.962  -4.237   5.006
  271   2HE2  GLN  40          2HE2      GLN  40   7.656  -4.343   5.003
  272    H    ASP  41           H        ASP  41   1.829   0.591   3.929
  273    HA   ASP  41           HA       ASP  41   1.313  -0.845   6.404
  274   1HB   ASP  41          1HB       ASP  41   3.198   1.097   6.623
  275   2HB   ASP  41          2HB       ASP  41   1.743   2.051   6.912
  276    HA   PRO  42           HA       PRO  42  -2.127   1.559   4.286
  277   1HB   PRO  42          1HB       PRO  42  -3.567  -0.591   3.385
  278   2HB   PRO  42          2HB       PRO  42  -2.308   0.208   2.426
  279   1HG   PRO  42          2HG       PRO  42  -2.186  -2.326   3.986
  280   2HG   PRO  42          1HG       PRO  42  -1.439  -1.917   2.438
  281   1HD   PRO  42          1HD       PRO  42  -0.099  -1.947   4.828
  282   2HD   PRO  42          2HD       PRO  42   0.384  -0.963   3.431
  283    H    ARG  43           H        ARG  43  -3.517  -1.577   5.149
  284    HA   ARG  43           HA       ARG  43  -4.984  -0.243   7.368
  285   1HB   ARG  43          2HB       ARG  43  -6.173  -1.433   5.520
  286   2HB   ARG  43          1HB       ARG  43  -5.364  -2.926   5.997
  287   1HG   ARG  43          1HG       ARG  43  -6.483  -1.838   8.360
  288   2HG   ARG  43          2HG       ARG  43  -7.731  -1.715   7.121
  289   1HD   ARG  43          2HD       ARG  43  -8.049  -3.970   7.098
  290   2HD   ARG  43          1HD       ARG  43  -6.302  -4.284   7.046
  291    HE   ARG  43           HE       ARG  43  -6.371  -4.524   9.394
  292   1HH1  ARG  43          1HH2      ARG  43  -9.066  -2.617   8.288
  293   2HH1  ARG  43          2HH2      ARG  43  -9.756  -2.477   9.868
  294   1HH2  ARG  43          1HH1      ARG  43  -7.286  -4.328  11.434
  295   2HH2  ARG  43          2HH1      ARG  43  -8.758  -3.438  11.636
  296    H    LYS  44           H        LYS  44  -2.103  -1.332   7.451
  297    HA   LYS  44           HA       LYS  44  -2.427  -2.785  10.014
  298   1HB   LYS  44          1HB       LYS  44  -1.000  -4.639   9.177
  299   2HB   LYS  44          2HB       LYS  44  -2.490  -4.503   8.245
  300   1HG   LYS  44          1HG       LYS  44  -1.349  -4.066   6.348
  301   2HG   LYS  44          2HG       LYS  44  -0.407  -2.803   7.143
  302   1HD   LYS  44          2HD       LYS  44   0.657  -5.087   8.247
  303   2HD   LYS  44          1HD       LYS  44   0.296  -5.611   6.602
  304   1HE   LYS  44          1HE       LYS  44   1.446  -2.983   6.471
  305   2HE   LYS  44          2HE       LYS  44   2.493  -4.013   7.465
  306   1HZ   LYS  44          1HZ       LYS  44   2.833  -4.179   4.980
  307   2HZ   LYS  44          2HZ       LYS  44   1.305  -4.917   4.898
  308   3HZ   LYS  44          3HZ       LYS  44   2.560  -5.649   5.779
  309   1H    ACE  45          1H        ACE  45   9.604  14.474   3.451
  310   2H    ACE  45          2H        ACE  45   8.440  15.585   4.176
  311   3H    ACE  45          3H        ACE  45   8.829  15.712   2.461
  312    HA   PRO  46           HA       PRO  46   8.703  12.778   1.058
  313   1HB   PRO  46          2HB       PRO  46   9.223  10.161   1.657
  314   2HB   PRO  46          1HB       PRO  46  10.306  11.490   2.116
  315   1HG   PRO  46          2HG       PRO  46   8.309  10.021   3.760
  316   2HG   PRO  46          1HG       PRO  46   9.920  10.612   4.200
  317   1HD   PRO  46          2HD       PRO  46   7.612  11.881   4.898
  318   2HD   PRO  46          1HD       PRO  46   9.163  12.718   4.671
  319    H    LEU  47           H        LEU  47   6.108  11.322   2.891
  320    HA   LEU  47           HA       LEU  47   5.136   9.431   0.991
  321   1HB   LEU  47          1HB       LEU  47   3.549  11.153   2.918
  322   2HB   LEU  47          2HB       LEU  47   3.104   9.559   2.314
  323    HG   LEU  47           HG       LEU  47   5.696   9.304   3.441
  324   1HD1  LEU  47          1HD2      LEU  47   3.804  11.031   5.025
  325   2HD1  LEU  47          2HD2      LEU  47   5.542  11.223   4.786
  326   3HD1  LEU  47          3HD2      LEU  47   4.932   9.957   5.852
  327   1HD2  LEU  47          1HD1      LEU  47   3.407   8.444   5.084
  328   2HD2  LEU  47          2HD1      LEU  47   4.702   7.484   4.371
  329   3HD2  LEU  47          3HD1      LEU  47   3.305   7.943   3.397
  330    HA   PRO  48           HA       PRO  48   3.854  12.444  -2.079
  331   1HB   PRO  48          2HB       PRO  48   2.726  10.666  -3.829
  332   2HB   PRO  48          1HB       PRO  48   4.477  10.922  -3.700
  333   1HG   PRO  48          2HG       PRO  48   2.782   8.753  -2.554
  334   2HG   PRO  48          1HG       PRO  48   4.390   8.657  -3.285
  335   1HD   PRO  48          1HD       PRO  48   3.963   8.631  -0.595
  336   2HD   PRO  48          2HD       PRO  48   5.446   9.265  -1.340
  337    HA   PRO  49           HA       PRO  49  -0.341  12.514  -0.363
  338   1HB   PRO  49          2HB       PRO  49  -0.823  15.148  -0.924
  339   2HB   PRO  49          1HB       PRO  49   0.099  14.615   0.493
  340   1HG   PRO  49          1HG       PRO  49   1.068  15.675  -2.118
  341   2HG   PRO  49          2HG       PRO  49   1.677  15.976  -0.484
  342   1HD   PRO  49          2HD       PRO  49   2.851  14.250  -2.245
  343   2HD   PRO  49          1HD       PRO  49   2.960  14.077  -0.481
  344    H    TYR  50           H        TYR  50  -0.290  11.186  -2.677
  345    HA   TYR  50           HA       TYR  50  -1.390  10.823  -4.738
  346   1HB   TYR  50          2HB       TYR  50  -3.103  11.976  -2.770
  347   2HB   TYR  50          1HB       TYR  50  -3.547  12.671  -4.328
  348    HD1  TYR  50           1HD      TYR  50  -4.664  11.380  -5.988
  349    HD2  TYR  50           2HD      TYR  50  -2.994   9.459  -2.528
  350    HE1  TYR  50           1HE      TYR  50  -5.806   9.267  -6.607
  351    HE2  TYR  50           2HE      TYR  50  -4.136   7.348  -3.147
  352    HH   TYR  50           HH       TYR  50  -5.802   6.993  -6.215
  Start of MODEL   12
    1    H    PHE   5           H        PHE   5   3.937 -15.100  12.444
    2    HA   PHE   5           HA       PHE   5   5.394 -15.541   9.871
    3   1HB   PHE   5          2HB       PHE   5   5.361 -16.815  12.371
    4   2HB   PHE   5          1HB       PHE   5   4.459 -17.895  11.306
    5    HD1  PHE   5           1HD      PHE   5   7.534 -15.738  11.156
    6    HD2  PHE   5           2HD      PHE   5   5.694 -19.487  10.147
    7    HE1  PHE   5           1HE      PHE   5   9.657 -16.506  10.131
    8    HE2  PHE   5           2HE      PHE   5   7.817 -20.254   9.122
    9    HZ   PHE   5           HZ       PHE   5   9.799 -18.763   9.114
   10    H    GLU   6           H        GLU   6   4.063 -18.023   9.296
   11    HA   GLU   6           HA       GLU   6   2.205 -18.776   8.042
   12   1HB   GLU   6          1HB       GLU   6   0.813 -16.980  10.057
   13   2HB   GLU   6          2HB       GLU   6   0.067 -18.306   9.164
   14   1HG   GLU   6          2HG       GLU   6   1.804 -19.838  10.208
   15   2HG   GLU   6          1HG       GLU   6   2.254 -18.490  11.253
   16    H    ILE   7           H        ILE   7   2.734 -17.629   6.072
   17    HA   ILE   7           HA       ILE   7   1.165 -15.102   5.662
   18    HB   ILE   7           HB       ILE   7   3.813 -16.036   4.511
   19   1HG1  ILE   7          2HG1      ILE   7   3.086 -13.745   6.367
   20   2HG1  ILE   7          1HG1      ILE   7   3.926 -15.222   6.839
   21   1HG2  ILE   7          1HG2      ILE   7   1.873 -14.230   3.445
   22   2HG2  ILE   7          2HG2      ILE   7   3.489 -14.576   2.832
   23   3HG2  ILE   7          3HG2      ILE   7   3.249 -13.279   4.001
   24   1HD1  ILE   7          1HD1      ILE   7   5.082 -12.839   5.847
   25   2HD1  ILE   7          2HD1      ILE   7   5.241 -14.034   4.559
   26   3HD1  ILE   7          3HD1      ILE   7   5.898 -14.372   6.161
   27    HA   PRO   8           HA       PRO   8  -0.654 -18.100   2.759
   28   1HB   PRO   8          1HB       PRO   8  -3.018 -16.751   2.464
   29   2HB   PRO   8          2HB       PRO   8  -2.695 -17.854   3.814
   30   1HG   PRO   8          1HG       PRO   8  -2.584 -14.877   3.723
   31   2HG   PRO   8          2HG       PRO   8  -3.185 -15.942   5.002
   32   1HD   PRO   8          1HD       PRO   8  -0.743 -14.726   5.075
   33   2HD   PRO   8          2HD       PRO   8  -1.091 -16.270   5.880
   34    H    ASP   9           H        ASP   9  -0.054 -14.683   2.544
   35    HA   ASP   9           HA       ASP   9   0.215 -13.230   0.702
   36   1HB   ASP   9          2HB       ASP   9   2.063 -14.899   0.607
   37   2HB   ASP   9          1HB       ASP   9   1.081 -15.880  -0.479
   38    H    ASP  10           H        ASP  10  -2.475 -14.399   0.920
   39    HA   ASP  10           HA       ASP  10  -3.396 -15.329  -1.656
   40   1HB   ASP  10          2HB       ASP  10  -4.358 -15.195   0.893
   41   2HB   ASP  10          1HB       ASP  10  -5.240 -13.865   0.145
   42    H    VAL  11           H        VAL  11  -3.645 -12.139  -0.033
   43    HA   VAL  11           HA       VAL  11  -3.801 -10.882  -2.748
   44    HB   VAL  11           HB       VAL  11  -6.050 -11.081  -1.809
   45   1HG1  VAL  11          1HG2      VAL  11  -5.423 -11.348   0.547
   46   2HG1  VAL  11          2HG2      VAL  11  -6.571 -10.021   0.378
   47   3HG1  VAL  11          3HG2      VAL  11  -4.856  -9.678   0.602
   48   1HG2  VAL  11          1HG1      VAL  11  -4.834  -8.313  -1.655
   49   2HG2  VAL  11          2HG1      VAL  11  -6.569  -8.601  -1.535
   50   3HG2  VAL  11          3HG1      VAL  11  -5.703  -9.033  -3.010
   51    HA   PRO  12           HA       PRO  12  -0.680  -8.291  -0.983
   52   1HB   PRO  12          1HB       PRO  12  -0.808  -6.201  -2.747
   53   2HB   PRO  12          2HB       PRO  12  -0.061  -7.759  -3.145
   54   1HG   PRO  12          1HG       PRO  12  -2.753  -6.704  -3.861
   55   2HG   PRO  12          2HG       PRO  12  -1.627  -7.664  -4.828
   56   1HD   PRO  12          2HD       PRO  12  -3.822  -8.704  -3.572
   57   2HD   PRO  12          1HD       PRO  12  -2.361  -9.644  -3.942
   58    H    LEU  13           H        LEU  13  -3.575  -6.485  -2.107
   59    HA   LEU  13           HA       LEU  13  -3.740  -5.214   0.593
   60   1HB   LEU  13          1HB       LEU  13  -3.289  -3.980  -2.094
   61   2HB   LEU  13          2HB       LEU  13  -4.317  -3.106  -0.958
   62    HG   LEU  13           HG       LEU  13  -2.383  -3.590   0.748
   63   1HD1  LEU  13          1HD1      LEU  13  -0.618  -4.689  -0.119
   64   2HD1  LEU  13          2HD1      LEU  13  -0.317  -3.292  -1.153
   65   3HD1  LEU  13          3HD1      LEU  13  -1.320  -4.620  -1.736
   66   1HD2  LEU  13          1HD2      LEU  13  -1.129  -1.544  -0.285
   67   2HD2  LEU  13          2HD2      LEU  13  -2.803  -1.337   0.231
   68   3HD2  LEU  13          3HD2      LEU  13  -2.428  -1.561  -1.478
   69    HA   PRO  14           HA       PRO  14  -8.059  -5.800   0.047
   70   1HB   PRO  14          2HB       PRO  14  -9.149  -3.573   1.208
   71   2HB   PRO  14          1HB       PRO  14  -8.408  -4.890   2.135
   72   1HG   PRO  14          1HG       PRO  14  -7.313  -2.225   1.414
   73   2HG   PRO  14          2HG       PRO  14  -7.094  -3.171   2.890
   74   1HD   PRO  14          2HD       PRO  14  -5.230  -2.978   0.876
   75   2HD   PRO  14          1HD       PRO  14  -5.324  -4.323   2.030
   76    H    ALA  15           H        ALA  15 -10.137  -4.567  -0.802
   77    HA   ALA  15           HA       ALA  15  -9.628  -3.703  -3.484
   78   1HB   ALA  15          1HB       ALA  15 -11.990  -3.600  -1.599
   79   2HB   ALA  15          2HB       ALA  15 -11.705  -4.728  -2.923
   80   3HB   ALA  15          3HB       ALA  15 -12.108  -3.045  -3.269
   81    H    GLY  16           H        GLY  16 -10.094  -1.568  -4.403
   82   1HA   GLY  16          1HA       GLY  16 -10.120   0.789  -4.416
   83   2HA   GLY  16          2HA       GLY  16 -10.379   0.750  -2.672
   84    H    TRP  17           H        TRP  17  -7.702  -1.058  -3.937
   85    HA   TRP  17           HA       TRP  17  -5.836   1.089  -2.975
   86   1HB   TRP  17          2HB       TRP  17  -6.113  -1.829  -2.441
   87   2HB   TRP  17          1HB       TRP  17  -4.478  -1.174  -2.505
   88    HD1  TRP  17           HD       TRP  17  -7.685  -1.055  -0.485
   89    HE1  TRP  17           1HE      TRP  17  -7.232   0.203   1.728
   90    HE3  TRP  17           3HE      TRP  17  -2.989   0.676  -1.420
   91    HZ2  TRP  17           2HZ      TRP  17  -5.126   1.738   2.936
   92    HZ3  TRP  17           3HZ      TRP  17  -1.783   2.029   0.263
   93    HH2  TRP  17           HH       TRP  17  -2.833   2.558   2.433
   94    H    GLU  18           H        GLU  18  -3.881   1.332  -4.166
   95    HA   GLU  18           HA       GLU  18  -3.590  -0.374  -6.610
   96   1HB   GLU  18          1HB       GLU  18  -4.390   2.384  -6.409
   97   2HB   GLU  18          2HB       GLU  18  -2.832   2.296  -7.221
   98   1HG   GLU  18          2HG       GLU  18  -4.238   1.977  -9.028
   99   2HG   GLU  18          1HG       GLU  18  -3.998   0.303  -8.525
  100    H    MET  19           H        MET  19  -1.671  -1.395  -5.655
  101    HA   MET  19           HA       MET  19   0.472   0.082  -4.474
  102   1HB   MET  19          1HB       MET  19   1.800  -1.933  -5.103
  103   2HB   MET  19          2HB       MET  19   0.332  -2.334  -4.234
  104   1HG   MET  19          1HG       MET  19  -0.574  -2.385  -6.812
  105   2HG   MET  19          2HG       MET  19   1.099  -2.869  -7.056
  106   1HE   MET  19          1HE       MET  19  -1.482  -2.953  -4.521
  107   2HE   MET  19          2HE       MET  19  -1.314  -4.491  -3.681
  108   3HE   MET  19          3HE       MET  19  -2.393  -4.365  -5.067
  109    H    ALA  20           H        ALA  20   1.651   1.586  -5.484
  110    HA   ALA  20           HA       ALA  20   2.327   1.205  -8.371
  111   1HB   ALA  20          1HB       ALA  20   0.944   3.451  -6.934
  112   2HB   ALA  20          2HB       ALA  20   0.581   2.753  -8.511
  113   3HB   ALA  20          3HB       ALA  20   1.959   3.838  -8.323
  114    H    LYS  21           H        LYS  21   3.862   3.559  -8.632
  115    HA   LYS  21           HA       LYS  21   5.901   3.194  -6.478
  116   1HB   LYS  21          1HB       LYS  21   6.139   3.295  -9.483
  117   2HB   LYS  21          2HB       LYS  21   7.529   3.627  -8.451
  118   1HG   LYS  21          2HG       LYS  21   6.813   1.381  -7.272
  119   2HG   LYS  21          1HG       LYS  21   5.996   1.070  -8.803
  120   1HD   LYS  21          2HD       LYS  21   8.832   2.027  -8.876
  121   2HD   LYS  21          1HD       LYS  21   8.528   0.346  -8.438
  122   1HE   LYS  21          1HE       LYS  21   7.090   0.177 -10.539
  123   2HE   LYS  21          2HE       LYS  21   7.742   1.760 -11.005
  124   1HZ   LYS  21          1HZ       LYS  21   9.997   0.755 -10.495
  125   2HZ   LYS  21          2HZ       LYS  21   9.228   0.183 -11.899
  126   3HZ   LYS  21          3HZ       LYS  21   9.227  -0.756 -10.483
  127    H    THR  22           H        THR  22   6.831   5.029  -5.676
  128    HA   THR  22           HA       THR  22   6.138   7.629  -7.006
  129    HB   THR  22           HB       THR  22   4.616   7.159  -5.138
  130    HG1  THR  22           1HG      THR  22   5.346   9.294  -5.373
  131   1HG2  THR  22          1HG2      THR  22   7.161   6.887  -3.511
  132   2HG2  THR  22          2HG2      THR  22   6.094   5.559  -3.954
  133   3HG2  THR  22          3HG2      THR  22   5.521   6.823  -2.862
  134    H    SER  23           H        SER  23   7.385   9.261  -5.139
  135    HA   SER  23           HA       SER  23   9.518  10.226  -4.802
  136   1HB   SER  23          2HB       SER  23   9.491   8.872  -2.885
  137   2HB   SER  23          1HB       SER  23   9.594   7.381  -3.822
  138    HG   SER  23           HG       SER  23  11.571   8.924  -2.831
  139    H    SER  24           H        SER  24  11.112   7.150  -5.392
  140    HA   SER  24           HA       SER  24  12.000   8.138  -8.077
  141   1HB   SER  24          1HB       SER  24  13.594   8.698  -6.245
  142   2HB   SER  24          2HB       SER  24  13.711   6.981  -5.857
  143    HG   SER  24           HG       SER  24  14.420   6.664  -8.040
  144    H    GLY  25           H        GLY  25  10.617   5.593  -6.364
  145   1HA   GLY  25          2HA       GLY  25  10.388   3.774  -8.409
  146   2HA   GLY  25          1HA       GLY  25  11.969   3.394  -7.726
  147    H    GLN  26           H        GLN  26  10.984   4.265  -4.999
  148    HA   GLN  26           HA       GLN  26  10.353   1.800  -3.846
  149   1HB   GLN  26          1HB       GLN  26  10.927   4.117  -2.844
  150   2HB   GLN  26          2HB       GLN  26   9.191   4.424  -2.902
  151   1HG   GLN  26          1HG       GLN  26   9.061   3.372  -0.907
  152   2HG   GLN  26          2HG       GLN  26   9.386   1.877  -1.782
  153   1HE2  GLN  26          1HE2      GLN  26  12.113   2.300  -2.487
  154   2HE2  GLN  26          2HE2      GLN  26  13.044   2.355  -1.069
  155    H    ARG  27           H        ARG  27   8.482   0.568  -3.667
  156    HA   ARG  27           HA       ARG  27   6.177   1.309  -5.310
  157   1HB   ARG  27          1HB       ARG  27   7.321  -1.049  -4.138
  158   2HB   ARG  27          2HB       ARG  27   5.644  -0.933  -3.628
  159   1HG   ARG  27          1HG       ARG  27   5.479  -0.225  -6.278
  160   2HG   ARG  27          2HG       ARG  27   6.743  -1.458  -6.299
  161   1HD   ARG  27          2HD       ARG  27   4.741  -2.446  -4.561
  162   2HD   ARG  27          1HD       ARG  27   3.894  -1.821  -5.987
  163    HE   ARG  27           HE       ARG  27   6.123  -3.173  -7.000
  164   1HH1  ARG  27          1HH2      ARG  27   3.395  -3.961  -4.986
  165   2HH1  ARG  27          2HH2      ARG  27   3.354  -5.612  -5.497
  166   1HH2  ARG  27          1HH1      ARG  27   6.049  -5.321  -7.648
  167   2HH2  ARG  27          2HH1      ARG  27   4.845  -6.379  -6.993
  168    H    TYR  28           H        TYR  28   4.645   2.668  -4.537
  169    HA   TYR  28           HA       TYR  28   4.068   2.592  -1.605
  170   1HB   TYR  28          1HB       TYR  28   3.303   4.847  -1.835
  171   2HB   TYR  28          2HB       TYR  28   4.768   4.765  -2.804
  172    HD1  TYR  28           1HD      TYR  28   4.565   4.445  -5.305
  173    HD2  TYR  28           2HD      TYR  28   1.199   5.393  -2.814
  174    HE1  TYR  28           1HE      TYR  28   3.287   5.178  -7.302
  175    HE2  TYR  28           2HE      TYR  28  -0.072   6.123  -4.818
  176    HH   TYR  28           HH       TYR  28   1.164   5.599  -8.057
  177    H    PHE  29           H        PHE  29   1.581   3.206  -1.336
  178    HA   PHE  29           HA       PHE  29   0.070   1.473  -3.231
  179   1HB   PHE  29          2HB       PHE  29   0.041   1.542  -0.193
  180   2HB   PHE  29          1HB       PHE  29  -1.068   0.586  -1.184
  181    HD1  PHE  29           1HD      PHE  29  -0.369  -1.363  -2.329
  182    HD2  PHE  29           2HD      PHE  29   2.559   1.089  -0.368
  183    HE1  PHE  29           1HE      PHE  29   1.352  -3.092  -2.759
  184    HE2  PHE  29           2HE      PHE  29   4.280  -0.647  -0.795
  185    HZ   PHE  29           HZ       PHE  29   3.677  -2.735  -1.990
  186    H    LEU  30           H        LEU  30  -0.840   3.119  -4.320
  187    HA   LEU  30           HA       LEU  30  -1.954   5.478  -3.145
  188   1HB   LEU  30          1HB       LEU  30  -1.154   4.713  -5.577
  189   2HB   LEU  30          2HB       LEU  30  -2.843   4.282  -5.760
  190    HG   LEU  30           HG       LEU  30  -3.511   6.445  -5.902
  191   1HD1  LEU  30          1HD2      LEU  30  -1.394   7.099  -3.897
  192   2HD1  LEU  30          2HD2      LEU  30  -3.126   7.389  -3.805
  193   3HD1  LEU  30          3HD2      LEU  30  -2.119   8.381  -4.857
  194   1HD2  LEU  30          1HD1      LEU  30  -0.754   7.337  -6.437
  195   2HD2  LEU  30          2HD1      LEU  30  -2.206   7.499  -7.425
  196   3HD2  LEU  30          3HD1      LEU  30  -1.347   5.959  -7.363
  197    H    ASN  31           H        ASN  31  -3.559   5.246  -1.662
  198    HA   ASN  31           HA       ASN  31  -5.583   3.143  -1.842
  199   1HB   ASN  31          1HB       ASN  31  -4.588   3.982   0.272
  200   2HB   ASN  31          2HB       ASN  31  -5.272   5.575  -0.048
  201   1HD2  ASN  31          1HD2      ASN  31  -5.848   3.620   2.181
  202   2HD2  ASN  31          2HD2      ASN  31  -7.519   3.355   2.112
  203    H    HIS  32           H        HIS  32  -7.257   3.373  -3.260
  204    HA   HIS  32           HA       HIS  32  -8.117   5.996  -4.247
  205   1HB   HIS  32          1HB       HIS  32  -8.442   3.144  -4.841
  206   2HB   HIS  32          2HB       HIS  32  -9.930   4.061  -5.076
  207    HD1  HIS  32           1HD      HIS  32 -10.041   5.631  -7.068
  208    HD2  HIS  32           2HD      HIS  32  -6.207   4.117  -6.446
  209    HE1  HIS  32           1HE      HIS  32  -8.660   6.328  -9.074
  210    H    ILE  33           H        ILE  33  -8.882   4.080  -1.525
  211    HA   ILE  33           HA       ILE  33 -11.707   4.926  -1.329
  212    HB   ILE  33           HB       ILE  33 -10.228   3.871   1.051
  213   1HG1  ILE  33          1HG1      ILE  33 -10.623   2.264  -1.488
  214   2HG1  ILE  33          2HG1      ILE  33  -9.142   2.471  -0.563
  215   1HG2  ILE  33          1HG2      ILE  33 -12.293   3.013   1.585
  216   2HG2  ILE  33          2HG2      ILE  33 -12.695   2.642  -0.092
  217   3HG2  ILE  33          3HG2      ILE  33 -12.817   4.300   0.500
  218   1HD1  ILE  33          1HD1      ILE  33 -10.615   1.380   1.372
  219   2HD1  ILE  33          2HD1      ILE  33  -9.759   0.380   0.196
  220   3HD1  ILE  33          3HD1      ILE  33 -11.482   0.698  -0.005
  221    H    ASP  34           H        ASP  34  -8.813   5.320   0.687
  222    HA   ASP  34           HA       ASP  34  -9.899   7.794   1.887
  223   1HB   ASP  34          2HB       ASP  34  -7.825   5.782   2.390
  224   2HB   ASP  34          1HB       ASP  34  -7.275   7.423   2.727
  225    H    GLN  35           H        GLN  35  -8.434   7.158  -1.019
  226    HA   GLN  35           HA       GLN  35  -7.161   8.444  -2.530
  227   1HB   GLN  35          2HB       GLN  35  -8.263  10.641  -0.749
  228   2HB   GLN  35          1HB       GLN  35  -7.733  10.824  -2.421
  229   1HG   GLN  35          2HG       GLN  35  -9.737  10.135  -3.186
  230   2HG   GLN  35          1HG       GLN  35  -9.647   8.665  -2.215
  231   1HE2  GLN  35          1HE2      GLN  35 -11.985  10.560  -2.670
  232   2HE2  GLN  35          2HE2      GLN  35 -12.479  11.020  -1.112
  233    H    THR  36           H        THR  36  -5.209   7.457  -1.298
  234    HA   THR  36           HA       THR  36  -3.430   9.689  -0.520
  235    HB   THR  36           HB       THR  36  -3.550   7.453   1.447
  236    HG1  THR  36           1HG      THR  36  -5.353   8.245   2.422
  237   1HG2  THR  36          1HG2      THR  36  -3.610  10.029   2.622
  238   2HG2  THR  36          2HG2      THR  36  -2.525  10.130   1.235
  239   3HG2  THR  36          3HG2      THR  36  -2.232   8.934   2.498
  240    H    THR  37           H        THR  37  -1.222   8.554   0.269
  241    HA   THR  37           HA       THR  37  -0.690   6.249  -1.580
  242    HB   THR  37           HB       THR  37   1.471   7.323  -2.039
  243    HG1  THR  37           1HG      THR  37   1.737   8.327  -0.026
  244   1HG2  THR  37          1HG2      THR  37   0.294   9.706  -2.713
  245   2HG2  THR  37          2HG2      THR  37  -1.108   8.651  -2.537
  246   3HG2  THR  37          3HG2      THR  37   0.180   8.226  -3.665
  247    H    THR  38           H        THR  38  -0.891   4.779   0.253
  248    HA   THR  38           HA       THR  38   0.833   5.138   2.605
  249    HB   THR  38           HB       THR  38  -1.301   3.352   1.577
  250    HG1  THR  38           1HG      THR  38  -1.917   4.719   3.104
  251   1HG2  THR  38          1HG2      THR  38   0.378   1.624   1.981
  252   2HG2  THR  38          2HG2      THR  38  -0.831   1.570   3.262
  253   3HG2  THR  38          3HG2      THR  38   0.741   2.310   3.565
  254    H    TRP  39           H        TRP  39   2.998   4.535   2.581
  255    HA   TRP  39           HA       TRP  39   4.185   3.240   0.278
  256   1HB   TRP  39          1HB       TRP  39   5.269   3.583   3.098
  257   2HB   TRP  39          2HB       TRP  39   6.221   3.334   1.639
  258    HD1  TRP  39           HD       TRP  39   4.117   5.968   3.436
  259    HE1  TRP  39           1HE      TRP  39   4.689   8.287   2.466
  260    HE3  TRP  39           3HE      TRP  39   7.106   4.600  -0.494
  261    HZ2  TRP  39           2HZ      TRP  39   6.210   9.409   0.343
  262    HZ3  TRP  39           3HZ      TRP  39   8.111   6.317  -1.947
  263    HH2  TRP  39           HH       TRP  39   7.664   8.721  -1.546
  264    H    GLN  40           H        GLN  40   5.950   1.410   1.707
  265    HA   GLN  40           HA       GLN  40   4.328  -0.988   1.615
  266   1HB   GLN  40          1HB       GLN  40   7.048  -0.215   1.586
  267   2HB   GLN  40          2HB       GLN  40   6.863  -1.279   2.981
  268   1HG   GLN  40          1HG       GLN  40   6.513  -3.105   1.680
  269   2HG   GLN  40          2HG       GLN  40   5.442  -2.225   0.589
  270   1HE2  GLN  40          1HE2      GLN  40   6.300  -1.714  -1.443
  271   2HE2  GLN  40          2HE2      GLN  40   7.950  -1.774  -1.836
  272    H    ASP  41           H        ASP  41   3.203  -1.922   3.292
  273    HA   ASP  41           HA       ASP  41   4.042  -1.871   6.041
  274   1HB   ASP  41          2HB       ASP  41   2.592   0.426   4.997
  275   2HB   ASP  41          1HB       ASP  41   1.714  -0.330   6.328
  276    HA   PRO  42           HA       PRO  42  -0.398  -3.609   5.889
  277   1HB   PRO  42          1HB       PRO  42  -1.882  -3.267   3.613
  278   2HB   PRO  42          2HB       PRO  42  -1.886  -2.108   4.956
  279   1HG   PRO  42          1HG       PRO  42  -0.426  -2.004   2.359
  280   2HG   PRO  42          2HG       PRO  42  -1.229  -0.704   3.252
  281   1HD   PRO  42          1HD       PRO  42   1.470  -1.091   3.257
  282   2HD   PRO  42          2HD       PRO  42   0.589  -0.345   4.604
  283    H    ARG  43           H        ARG  43  -0.389  -5.807   5.557
  284    HA   ARG  43           HA       ARG  43   0.113  -7.896   4.571
  285   1HB   ARG  43          2HB       ARG  43  -0.403  -6.241   2.077
  286   2HB   ARG  43          1HB       ARG  43  -0.506  -7.998   2.193
  287   1HG   ARG  43          1HG       ARG  43  -2.105  -6.971   4.289
  288   2HG   ARG  43          2HG       ARG  43  -2.505  -6.026   2.855
  289   1HD   ARG  43          1HD       ARG  43  -3.170  -7.949   1.635
  290   2HD   ARG  43          2HD       ARG  43  -2.334  -9.046   2.749
  291    HE   ARG  43           HE       ARG  43  -4.975  -7.886   3.162
  292   1HH1  ARG  43          1HH2      ARG  43  -2.074  -9.001   4.730
  293   2HH1  ARG  43          2HH2      ARG  43  -2.882  -9.352   6.219
  294   1HH2  ARG  43          1HH1      ARG  43  -6.001  -8.350   5.104
  295   2HH2  ARG  43          2HH1      ARG  43  -5.087  -8.986   6.430
  296    H    LYS  44           H        LYS  44   1.649  -8.915   2.830
  297    HA   LYS  44           HA       LYS  44   4.201  -7.345   2.837
  298   1HB   LYS  44          1HB       LYS  44   3.550 -10.306   2.825
  299   2HB   LYS  44          2HB       LYS  44   5.188  -9.675   2.654
  300   1HG   LYS  44          1HG       LYS  44   3.829  -8.423   4.892
  301   2HG   LYS  44          2HG       LYS  44   3.825 -10.179   5.060
  302   1HD   LYS  44          2HD       LYS  44   6.225 -10.277   4.835
  303   2HD   LYS  44          1HD       LYS  44   6.306  -8.571   4.398
  304   1HE   LYS  44          2HE       LYS  44   6.665  -8.188   6.618
  305   2HE   LYS  44          1HE       LYS  44   4.945  -8.564   6.840
  306   1HZ   LYS  44          1HZ       LYS  44   6.995 -10.691   6.618
  307   2HZ   LYS  44          2HZ       LYS  44   5.417 -10.808   7.237
  308   3HZ   LYS  44          3HZ       LYS  44   6.619  -9.988   8.114
  309   1H    ACE  45          1H        ACE  45   6.094  14.437   3.506
  310   2H    ACE  45          2H        ACE  45   5.654  13.861   5.113
  311   3H    ACE  45          3H        ACE  45   5.476  12.799   3.717
  312    HA   PRO  46           HA       PRO  46   8.065  12.027   2.099
  313   1HB   PRO  46          2HB       PRO  46   8.378   9.311   2.184
  314   2HB   PRO  46          1HB       PRO  46   9.686  10.446   2.575
  315   1HG   PRO  46          2HG       PRO  46   7.911   8.906   4.397
  316   2HG   PRO  46          1HG       PRO  46   9.638   9.271   4.544
  317   1HD   PRO  46          2HD       PRO  46   7.699  10.603   5.917
  318   2HD   PRO  46          1HD       PRO  46   9.258  11.327   5.469
  319    H    LEU  47           H        LEU  47   6.186  12.145   0.924
  320    HA   LEU  47           HA       LEU  47   4.371   9.904   0.722
  321   1HB   LEU  47          1HB       LEU  47   3.747  10.720   2.944
  322   2HB   LEU  47          2HB       LEU  47   3.518  12.347   2.304
  323    HG   LEU  47           HG       LEU  47   1.934  10.844   0.625
  324   1HD1  LEU  47          1HD2      LEU  47   1.443   9.782   3.414
  325   2HD1  LEU  47          2HD2      LEU  47   2.418   8.903   2.236
  326   3HD1  LEU  47          3HD2      LEU  47   0.720   9.239   1.900
  327   1HD2  LEU  47          1HD1      LEU  47   0.242  11.613   2.712
  328   2HD2  LEU  47          2HD1      LEU  47   0.704  12.603   1.328
  329   3HD2  LEU  47          3HD1      LEU  47   1.611  12.718   2.835
  330    HA   PRO  48           HA       PRO  48   4.076  12.522  -2.944
  331   1HB   PRO  48          2HB       PRO  48   2.753  10.686  -4.494
  332   2HB   PRO  48          1HB       PRO  48   4.505  10.644  -4.226
  333   1HG   PRO  48          1HG       PRO  48   2.342   9.076  -2.904
  334   2HG   PRO  48          2HG       PRO  48   3.929   8.538  -3.464
  335   1HD   PRO  48          2HD       PRO  48   3.391   9.062  -0.860
  336   2HD   PRO  48          1HD       PRO  48   4.996   9.315  -1.576
  337    HA   PRO  49           HA       PRO  49  -0.033  13.992  -2.215
  338   1HB   PRO  49          1HB       PRO  49  -0.332  15.578  -4.426
  339   2HB   PRO  49          2HB       PRO  49   0.672  16.033  -3.036
  340   1HG   PRO  49          2HG       PRO  49   1.477  14.899  -5.673
  341   2HG   PRO  49          1HG       PRO  49   2.264  16.148  -4.696
  342   1HD   PRO  49          1HD       PRO  49   3.107  13.552  -4.803
  343   2HD   PRO  49          2HD       PRO  49   3.367  14.611  -3.401
  344    H    TYR  50           H        TYR  50  -2.217  14.010  -3.342
  345    HA   TYR  50           HA       TYR  50  -2.394  12.050  -5.593
  346   1HB   TYR  50          2HB       TYR  50  -2.658  11.006  -3.294
  347   2HB   TYR  50          1HB       TYR  50  -4.099  12.003  -3.085
  348    HD1  TYR  50           1HD      TYR  50  -5.944  10.553  -3.211
  349    HD2  TYR  50           2HD      TYR  50  -2.787  10.221  -6.106
  350    HE1  TYR  50           1HE      TYR  50  -7.277   8.888  -4.477
  351    HE2  TYR  50           2HE      TYR  50  -4.120   8.556  -7.370
  352    HH   TYR  50           HH       TYR  50  -6.398   7.854  -7.645
  Start of MODEL   13
    1    H    PHE   5           H        PHE   5 -13.844 -16.438  11.161
    2    HA   PHE   5           HA       PHE   5 -13.621 -13.456  11.259
    3   1HB   PHE   5          2HB       PHE   5 -14.109 -15.398  13.414
    4   2HB   PHE   5          1HB       PHE   5 -12.755 -14.316  13.740
    5    HD1  PHE   5           1HD      PHE   5 -16.363 -14.430  12.839
    6    HD2  PHE   5           2HD      PHE   5 -13.101 -12.005  14.231
    7    HE1  PHE   5           1HE      PHE   5 -17.952 -12.606  13.386
    8    HE2  PHE   5           2HE      PHE   5 -14.690 -10.181  14.777
    9    HZ   PHE   5           HZ       PHE   5 -17.116 -10.482  14.355
   10    H    GLU   6           H        GLU   6 -11.350 -12.872  12.154
   11    HA   GLU   6           HA       GLU   6  -9.011 -12.992  11.829
   12   1HB   GLU   6          1HB       GLU   6  -9.683 -14.884  13.482
   13   2HB   GLU   6          2HB       GLU   6  -9.411 -15.970  12.119
   14   1HG   GLU   6          2HG       GLU   6  -7.154 -14.479  11.976
   15   2HG   GLU   6          1HG       GLU   6  -7.455 -14.403  13.712
   16    H    ILE   7           H        ILE   7  -9.385 -12.438   9.491
   17    HA   ILE   7           HA       ILE   7  -9.553 -14.540   7.492
   18    HB   ILE   7           HB       ILE   7  -9.096 -12.611   5.974
   19   1HG1  ILE   7          2HG1      ILE   7  -9.161 -10.507   7.912
   20   2HG1  ILE   7          1HG1      ILE   7  -7.845 -11.600   8.338
   21   1HG2  ILE   7          1HG2      ILE   7 -11.082 -12.332   8.226
   22   2HG2  ILE   7          2HG2      ILE   7 -11.375 -12.814   6.555
   23   3HG2  ILE   7          3HG2      ILE   7 -10.999 -11.133   6.936
   24   1HD1  ILE   7          1HD1      ILE   7  -8.128  -9.809   6.009
   25   2HD1  ILE   7          2HD1      ILE   7  -7.555 -11.430   5.615
   26   3HD1  ILE   7          3HD1      ILE   7  -6.669 -10.438   6.774
   27    HA   PRO   8           HA       PRO   8  -5.258 -15.593   7.433
   28   1HB   PRO   8          1HB       PRO   8  -5.118 -16.713   4.941
   29   2HB   PRO   8          2HB       PRO   8  -5.866 -17.530   6.327
   30   1HG   PRO   8          1HG       PRO   8  -7.143 -16.057   4.073
   31   2HG   PRO   8          2HG       PRO   8  -7.656 -17.545   4.880
   32   1HD   PRO   8          1HD       PRO   8  -8.759 -15.092   5.373
   33   2HD   PRO   8          2HD       PRO   8  -8.717 -16.409   6.565
   34    H    ASP   9           H        ASP   9  -3.264 -15.093   6.114
   35    HA   ASP   9           HA       ASP   9  -3.407 -12.372   5.025
   36   1HB   ASP   9          1HB       ASP   9  -0.948 -12.649   5.063
   37   2HB   ASP   9          2HB       ASP   9  -1.661 -13.136   6.596
   38    H    ASP  10           H        ASP  10  -4.842 -14.003   3.303
   39    HA   ASP  10           HA       ASP  10  -3.019 -14.834   1.109
   40   1HB   ASP  10          1HB       ASP  10  -5.516 -15.651   2.186
   41   2HB   ASP  10          2HB       ASP  10  -5.835 -15.079   0.548
   42    H    VAL  11           H        VAL  11  -3.924 -11.912   1.984
   43    HA   VAL  11           HA       VAL  11  -4.412 -11.011  -0.820
   44    HB   VAL  11           HB       VAL  11  -6.566 -11.130   0.324
   45   1HG1  VAL  11          1HG1      VAL  11  -6.957  -9.933   2.423
   46   2HG1  VAL  11          2HG1      VAL  11  -5.289  -9.358   2.431
   47   3HG1  VAL  11          3HG1      VAL  11  -5.631 -11.076   2.634
   48   1HG2  VAL  11          1HG2      VAL  11  -5.427  -8.335   0.068
   49   2HG2  VAL  11          2HG2      VAL  11  -7.140  -8.656   0.339
   50   3HG2  VAL  11          3HG2      VAL  11  -6.357  -9.230  -1.133
   51    HA   PRO  12           HA       PRO  12  -1.171  -8.247   0.484
   52   1HB   PRO  12          1HB       PRO  12  -1.165  -6.612  -1.709
   53   2HB   PRO  12          2HB       PRO  12  -0.453  -8.237  -1.713
   54   1HG   PRO  12          2HG       PRO  12  -3.071  -7.305  -2.780
   55   2HG   PRO  12          1HG       PRO  12  -1.946  -8.501  -3.439
   56   1HD   PRO  12          2HD       PRO  12  -4.239  -9.133  -2.072
   57   2HD   PRO  12          1HD       PRO  12  -2.818 -10.193  -2.175
   58    H    LEU  13           H        LEU  13  -3.955  -6.683  -1.159
   59    HA   LEU  13           HA       LEU  13  -4.261  -4.872   1.191
   60   1HB   LEU  13          2HB       LEU  13  -3.739  -4.122  -1.696
   61   2HB   LEU  13          1HB       LEU  13  -4.442  -2.983  -0.548
   62    HG   LEU  13           HG       LEU  13  -2.361  -3.821   0.931
   63   1HD1  LEU  13          1HD1      LEU  13  -0.597  -3.650  -1.249
   64   2HD1  LEU  13          2HD1      LEU  13  -1.841  -4.794  -1.754
   65   3HD1  LEU  13          3HD1      LEU  13  -0.928  -5.080  -0.273
   66   1HD2  LEU  13          1HD2      LEU  13  -2.294  -1.738  -1.273
   67   2HD2  LEU  13          2HD2      LEU  13  -1.111  -1.838   0.032
   68   3HD2  LEU  13          3HD2      LEU  13  -2.801  -1.489   0.398
   69    HA   PRO  14           HA       PRO  14  -8.525  -5.526   0.340
   70   1HB   PRO  14          2HB       PRO  14  -9.642  -3.187   1.222
   71   2HB   PRO  14          1HB       PRO  14  -9.023  -4.441   2.311
   72   1HG   PRO  14          1HG       PRO  14  -7.777  -1.878   1.464
   73   2HG   PRO  14          2HG       PRO  14  -7.735  -2.686   3.034
   74   1HD   PRO  14          2HD       PRO  14  -5.675  -2.738   1.225
   75   2HD   PRO  14          1HD       PRO  14  -5.952  -3.994   2.451
   76    H    ALA  15           H        ALA  15 -10.517  -4.129  -0.663
   77    HA   ALA  15           HA       ALA  15  -9.785  -3.579  -3.401
   78   1HB   ALA  15          1HB       ALA  15 -12.364  -2.607  -2.291
   79   2HB   ALA  15          2HB       ALA  15 -12.018  -4.320  -2.053
   80   3HB   ALA  15          3HB       ALA  15 -12.061  -3.646  -3.682
   81    H    GLY  16           H        GLY  16 -10.477  -1.460  -4.476
   82   1HA   GLY  16          1HA       GLY  16 -10.328   0.874  -4.679
   83   2HA   GLY  16          2HA       GLY  16 -10.619   0.974  -2.944
   84    H    TRP  17           H        TRP  17  -7.975  -1.036  -3.851
   85    HA   TRP  17           HA       TRP  17  -6.078   1.137  -3.035
   86   1HB   TRP  17          2HB       TRP  17  -6.476  -1.724  -2.355
   87   2HB   TRP  17          1HB       TRP  17  -4.802  -1.183  -2.484
   88    HD1  TRP  17           HD       TRP  17  -7.912  -0.831  -0.380
   89    HE1  TRP  17           1HE      TRP  17  -7.358   0.574   1.720
   90    HE3  TRP  17           3HE      TRP  17  -3.241   0.761  -1.617
   91    HZ2  TRP  17           2HZ      TRP  17  -5.189   2.166   2.730
   92    HZ3  TRP  17           3HZ      TRP  17  -1.958   2.212  -0.090
   93    HH2  TRP  17           HH       TRP  17  -2.912   2.918   2.075
   94    H    GLU  18           H        GLU  18  -4.158   1.376  -4.240
   95    HA   GLU  18           HA       GLU  18  -3.834  -0.444  -6.604
   96   1HB   GLU  18          1HB       GLU  18  -4.337   2.439  -6.430
   97   2HB   GLU  18          2HB       GLU  18  -2.925   2.051  -7.402
   98   1HG   GLU  18          2HG       GLU  18  -4.755   1.992  -8.921
   99   2HG   GLU  18          1HG       GLU  18  -4.388   0.304  -8.569
  100    H    MET  19           H        MET  19  -2.004  -1.535  -5.599
  101    HA   MET  19           HA       MET  19   0.196  -0.048  -4.452
  102   1HB   MET  19          1HB       MET  19   1.368  -2.227  -4.685
  103   2HB   MET  19          2HB       MET  19  -0.171  -2.389  -3.868
  104   1HG   MET  19          1HG       MET  19  -0.911  -2.756  -6.487
  105   2HG   MET  19          2HG       MET  19   0.717  -3.423  -6.499
  106   1HE   MET  19          1HE       MET  19  -2.519  -3.144  -4.648
  107   2HE   MET  19          2HE       MET  19  -1.605  -3.494  -3.184
  108   3HE   MET  19          3HE       MET  19  -2.761  -4.674  -3.795
  109    H    ALA  20           H        ALA  20   1.538   1.161  -5.614
  110    HA   ALA  20           HA       ALA  20   2.487   0.240  -8.263
  111   1HB   ALA  20          1HB       ALA  20   0.957   1.596  -9.266
  112   2HB   ALA  20          2HB       ALA  20   1.861   2.961  -8.619
  113   3HB   ALA  20          3HB       ALA  20   0.492   2.309  -7.724
  114    H    LYS  21           H        LYS  21   3.739   2.976  -8.691
  115    HA   LYS  21           HA       LYS  21   5.535   2.966  -6.304
  116   1HB   LYS  21          2HB       LYS  21   6.350   3.114  -9.219
  117   2HB   LYS  21          1HB       LYS  21   7.447   3.073  -7.840
  118   1HG   LYS  21          1HG       LYS  21   7.435   0.824  -8.074
  119   2HG   LYS  21          2HG       LYS  21   5.797   0.873  -7.427
  120   1HD   LYS  21          1HD       LYS  21   5.750  -0.340  -9.529
  121   2HD   LYS  21          2HD       LYS  21   4.953   1.214  -9.770
  122   1HE   LYS  21          2HE       LYS  21   6.373   1.304 -11.591
  123   2HE   LYS  21          1HE       LYS  21   7.520   1.897 -10.375
  124   1HZ   LYS  21          1HZ       LYS  21   8.369  -0.259 -10.045
  125   2HZ   LYS  21          2HZ       LYS  21   8.250  -0.104 -11.734
  126   3HZ   LYS  21          3HZ       LYS  21   7.085  -0.995 -10.874
  127    H    THR  22           H        THR  22   6.735   4.882  -5.932
  128    HA   THR  22           HA       THR  22   5.887   7.330  -7.410
  129    HB   THR  22           HB       THR  22   4.305   6.956  -5.543
  130    HG1  THR  22           1HG      THR  22   4.558   9.058  -5.764
  131   1HG2  THR  22          1HG2      THR  22   4.968   6.577  -3.343
  132   2HG2  THR  22          2HG2      THR  22   6.529   7.359  -3.584
  133   3HG2  THR  22          3HG2      THR  22   6.251   5.738  -4.218
  134    H    SER  23           H        SER  23   7.033   9.118  -5.551
  135    HA   SER  23           HA       SER  23   9.155  10.111  -5.157
  136   1HB   SER  23          2HB       SER  23   8.701   7.994  -3.565
  137   2HB   SER  23          1HB       SER  23  10.144   7.401  -4.388
  138    HG   SER  23           HG       SER  23  10.195   8.907  -2.369
  139    H    SER  24           H        SER  24  11.691   8.489  -5.273
  140    HA   SER  24           HA       SER  24  12.094   8.690  -8.207
  141   1HB   SER  24          1HB       SER  24  13.502   9.549  -6.026
  142   2HB   SER  24          2HB       SER  24  14.335   8.036  -6.392
  143    HG   SER  24           HG       SER  24  15.075   9.998  -7.516
  144    H    GLY  25           H        GLY  25  11.619   6.280  -5.793
  145   1HA   GLY  25          2HA       GLY  25  11.604   4.112  -7.598
  146   2HA   GLY  25          1HA       GLY  25  13.220   4.170  -6.895
  147    H    GLN  26           H        GLN  26   9.822   3.605  -6.227
  148    HA   GLN  26           HA       GLN  26  10.384   1.813  -4.041
  149   1HB   GLN  26          1HB       GLN  26  10.712   4.439  -3.363
  150   2HB   GLN  26          2HB       GLN  26   9.008   4.214  -2.975
  151   1HG   GLN  26          2HG       GLN  26  11.147   2.285  -2.049
  152   2HG   GLN  26          1HG       GLN  26  10.669   3.689  -1.096
  153   1HE2  GLN  26          1HE2      GLN  26  10.156   1.329   0.155
  154   2HE2  GLN  26          2HE2      GLN  26   8.512   0.919   0.076
  155    H    ARG  27           H        ARG  27   8.539   0.539  -3.748
  156    HA   ARG  27           HA       ARG  27   6.185   1.141  -5.369
  157   1HB   ARG  27          1HB       ARG  27   7.293  -1.109  -3.856
  158   2HB   ARG  27          2HB       ARG  27   5.552  -0.966  -3.666
  159   1HG   ARG  27          2HG       ARG  27   5.754  -2.261  -5.616
  160   2HG   ARG  27          1HG       ARG  27   5.512  -0.623  -6.232
  161   1HD   ARG  27          2HD       ARG  27   7.400  -1.102  -7.464
  162   2HD   ARG  27          1HD       ARG  27   8.244  -0.689  -5.959
  163    HE   ARG  27           HE       ARG  27   7.320  -3.442  -5.954
  164   1HH1  ARG  27          1HH2      ARG  27   9.814  -1.303  -7.104
  165   2HH1  ARG  27          2HH2      ARG  27  10.997  -2.561  -7.212
  166   1HH2  ARG  27          1HH1      ARG  27   8.873  -5.058  -6.104
  167   2HH2  ARG  27          2HH1      ARG  27  10.469  -4.671  -6.650
  168    H    TYR  28           H        TYR  28   4.578   2.413  -4.699
  169    HA   TYR  28           HA       TYR  28   4.071   2.573  -1.758
  170   1HB   TYR  28          1HB       TYR  28   3.514   4.840  -2.002
  171   2HB   TYR  28          2HB       TYR  28   4.855   4.649  -3.116
  172    HD1  TYR  28           1HD      TYR  28   2.901   3.087  -5.192
  173    HD2  TYR  28           2HD      TYR  28   2.800   6.882  -3.183
  174    HE1  TYR  28           1HE      TYR  28   1.583   4.025  -7.036
  175    HE2  TYR  28           2HE      TYR  28   1.464   7.804  -5.040
  176    HH   TYR  28           HH       TYR  28   1.314   6.649  -7.941
  177    H    PHE  29           H        PHE  29   1.677   3.204  -1.391
  178    HA   PHE  29           HA       PHE  29   0.030   1.504  -3.207
  179   1HB   PHE  29          2HB       PHE  29   0.160   1.649  -0.174
  180   2HB   PHE  29          1HB       PHE  29  -1.057   0.730  -1.070
  181    HD1  PHE  29           1HD      PHE  29  -0.550  -1.339  -2.072
  182    HD2  PHE  29           2HD      PHE  29   2.657   1.106  -0.600
  183    HE1  PHE  29           1HE      PHE  29   1.046  -3.175  -2.525
  184    HE2  PHE  29           2HE      PHE  29   4.252  -0.738  -1.050
  185    HZ   PHE  29           HZ       PHE  29   3.448  -2.876  -2.013
  186    H    LEU  30           H        LEU  30  -1.119   3.005  -4.262
  187    HA   LEU  30           HA       LEU  30  -2.016   5.437  -2.936
  188   1HB   LEU  30          1HB       LEU  30  -1.609   4.380  -5.583
  189   2HB   LEU  30          2HB       LEU  30  -3.225   5.068  -5.485
  190    HG   LEU  30           HG       LEU  30  -0.596   6.444  -4.919
  191   1HD1  LEU  30          1HD1      LEU  30  -1.167   7.827  -6.764
  192   2HD1  LEU  30          2HD1      LEU  30  -2.832   7.244  -6.778
  193   3HD1  LEU  30          3HD1      LEU  30  -1.521   6.180  -7.286
  194   1HD2  LEU  30          1HD2      LEU  30  -3.405   7.374  -4.350
  195   2HD2  LEU  30          2HD2      LEU  30  -2.023   8.461  -4.476
  196   3HD2  LEU  30          3HD2      LEU  30  -2.067   7.243  -3.212
  197    H    ASN  31           H        ASN  31  -3.667   5.268  -1.540
  198    HA   ASN  31           HA       ASN  31  -5.746   3.225  -1.753
  199   1HB   ASN  31          1HB       ASN  31  -4.732   4.131   0.360
  200   2HB   ASN  31          2HB       ASN  31  -5.478   5.685   0.004
  201   1HD2  ASN  31          1HD2      ASN  31  -6.011   3.880   2.302
  202   2HD2  ASN  31          2HD2      ASN  31  -7.654   3.490   2.217
  203    H    HIS  32           H        HIS  32  -7.321   3.514  -3.293
  204    HA   HIS  32           HA       HIS  32  -8.068   6.171  -4.277
  205   1HB   HIS  32          1HB       HIS  32  -8.733   3.297  -4.819
  206   2HB   HIS  32          2HB       HIS  32  -9.804   4.547  -5.453
  207    HD1  HIS  32           1HD      HIS  32  -9.171   5.188  -7.769
  208    HD2  HIS  32           2HD      HIS  32  -5.818   4.191  -5.500
  209    HE1  HIS  32           1HE      HIS  32  -7.165   5.485  -9.286
  210    H    ILE  33           H        ILE  33  -9.037   4.246  -1.630
  211    HA   ILE  33           HA       ILE  33 -11.852   5.139  -1.604
  212    HB   ILE  33           HB       ILE  33 -10.520   4.046   0.849
  213   1HG1  ILE  33          1HG1      ILE  33 -10.830   2.476  -1.723
  214   2HG1  ILE  33          2HG1      ILE  33  -9.398   2.622  -0.712
  215   1HG2  ILE  33          1HG2      ILE  33 -12.944   4.509   0.717
  216   2HG2  ILE  33          2HG2      ILE  33 -12.635   2.791   0.968
  217   3HG2  ILE  33          3HG2      ILE  33 -13.085   3.381  -0.632
  218   1HD1  ILE  33          1HD1      ILE  33 -11.619   0.742  -0.489
  219   2HD1  ILE  33          2HD1      ILE  33 -11.311   1.592   1.026
  220   3HD1  ILE  33          3HD1      ILE  33 -10.018   0.679   0.249
  221    H    ASP  34           H        ASP  34  -9.073   5.497   0.571
  222    HA   ASP  34           HA       ASP  34 -10.201   8.035   1.639
  223   1HB   ASP  34          2HB       ASP  34  -7.879   6.220   2.345
  224   2HB   ASP  34          1HB       ASP  34  -8.185   7.742   3.183
  225    H    GLN  35           H        GLN  35  -8.539   7.343  -1.075
  226    HA   GLN  35           HA       GLN  35  -6.946   8.464  -2.407
  227   1HB   GLN  35          2HB       GLN  35  -8.002  10.812  -0.807
  228   2HB   GLN  35          1HB       GLN  35  -7.335  10.857  -2.436
  229   1HG   GLN  35          2HG       GLN  35  -9.185   9.536  -3.292
  230   2HG   GLN  35          1HG       GLN  35  -9.814   9.291  -1.662
  231   1HE2  GLN  35          1HE2      GLN  35 -11.847  10.377  -2.424
  232   2HE2  GLN  35          2HE2      GLN  35 -11.898  12.071  -2.531
  233    H    THR  36           H        THR  36  -5.161   7.404  -1.121
  234    HA   THR  36           HA       THR  36  -3.397   9.504   0.010
  235    HB   THR  36           HB       THR  36  -3.097   7.722   1.996
  236    HG1  THR  36           1HG      THR  36  -4.905   6.618   2.394
  237   1HG2  THR  36          1HG2      THR  36  -5.526   9.461   2.180
  238   2HG2  THR  36          2HG2      THR  36  -3.962  10.222   1.881
  239   3HG2  THR  36          3HG2      THR  36  -4.208   9.252   3.333
  240    H    THR  37           H        THR  37  -1.167   8.545   0.482
  241    HA   THR  37           HA       THR  37  -0.652   6.158  -1.270
  242    HB   THR  37           HB       THR  37   1.348   7.279  -2.042
  243    HG1  THR  37           1HG      THR  37   1.946   8.303  -0.157
  244   1HG2  THR  37          1HG2      THR  37  -1.253   8.667  -2.216
  245   2HG2  THR  37          2HG2      THR  37  -0.145   8.172  -3.494
  246   3HG2  THR  37          3HG2      THR  37   0.147   9.663  -2.604
  247    H    THR  38           H        THR  38  -0.335   4.623   0.409
  248    HA   THR  38           HA       THR  38   1.653   5.349   2.526
  249    HB   THR  38           HB       THR  38  -0.655   4.472   3.104
  250    HG1  THR  38           1HG      THR  38   0.633   4.078   4.731
  251   1HG2  THR  38          1HG2      THR  38  -1.223   2.195   2.673
  252   2HG2  THR  38          2HG2      THR  38   0.402   1.826   2.102
  253   3HG2  THR  38          3HG2      THR  38  -0.657   2.849   1.138
  254    H    TRP  39           H        TRP  39   3.686   4.445   2.387
  255    HA   TRP  39           HA       TRP  39   4.516   2.953   0.092
  256   1HB   TRP  39          2HB       TRP  39   5.870   2.981   2.805
  257   2HB   TRP  39          1HB       TRP  39   6.634   2.832   1.228
  258    HD1  TRP  39           HD       TRP  39   5.368   5.351   3.716
  259    HE1  TRP  39           1HE      TRP  39   5.924   7.732   2.902
  260    HE3  TRP  39           3HE      TRP  39   6.904   4.345  -1.074
  261    HZ2  TRP  39           2HZ      TRP  39   6.899   9.027   0.572
  262    HZ3  TRP  39           3HZ      TRP  39   7.652   6.174  -2.543
  263    HH2  TRP  39           HH       TRP  39   7.646   8.517  -1.738
  264    H    GLN  40           H        GLN  40   3.751   1.911   3.424
  265    HA   GLN  40           HA       GLN  40   4.248  -0.912   2.799
  266   1HB   GLN  40          1HB       GLN  40   2.957   0.482   5.168
  267   2HB   GLN  40          2HB       GLN  40   3.515  -1.191   5.142
  268   1HG   GLN  40          1HG       GLN  40   5.579  -0.496   5.708
  269   2HG   GLN  40          2HG       GLN  40   5.662   0.439   4.215
  270   1HE2  GLN  40          1HE2      GLN  40   6.386   2.494   4.839
  271   2HE2  GLN  40          2HE2      GLN  40   5.724   3.405   6.108
  272    H    ASP  41           H        ASP  41   2.035  -2.042   4.208
  273    HA   ASP  41           HA       ASP  41  -0.272  -1.356   2.416
  274   1HB   ASP  41          1HB       ASP  41   0.771  -4.071   3.292
  275   2HB   ASP  41          2HB       ASP  41  -0.664  -3.811   2.300
  276    HA   PRO  42           HA       PRO  42  -2.469  -1.183   6.246
  277   1HB   PRO  42          1HB       PRO  42  -5.024  -1.403   5.295
  278   2HB   PRO  42          2HB       PRO  42  -4.060   0.077   5.145
  279   1HG   PRO  42          2HG       PRO  42  -4.640  -2.026   3.122
  280   2HG   PRO  42          1HG       PRO  42  -4.497  -0.277   2.921
  281   1HD   PRO  42          1HD       PRO  42  -2.530  -2.076   2.258
  282   2HD   PRO  42          2HD       PRO  42  -2.232  -0.372   2.658
  283    H    ARG  43           H        ARG  43  -3.887  -3.591   3.984
  284    HA   ARG  43           HA       ARG  43  -4.618  -5.803   4.385
  285   1HB   ARG  43          1HB       ARG  43  -2.011  -5.540   4.992
  286   2HB   ARG  43          2HB       ARG  43  -2.612  -6.003   6.583
  287   1HG   ARG  43          1HG       ARG  43  -3.206  -8.115   5.895
  288   2HG   ARG  43          2HG       ARG  43  -3.613  -7.581   4.264
  289   1HD   ARG  43          2HD       ARG  43  -0.791  -7.877   5.364
  290   2HD   ARG  43          1HD       ARG  43  -1.576  -8.975   4.212
  291    HE   ARG  43           HE       ARG  43  -1.807  -6.312   3.216
  292   1HH1  ARG  43          1HH2      ARG  43   0.605  -8.749   3.824
  293   2HH1  ARG  43          2HH2      ARG  43   1.645  -8.191   2.560
  294   1HH2  ARG  43          1HH1      ARG  43  -0.440  -5.608   1.580
  295   2HH2  ARG  43          2HH1      ARG  43   1.060  -6.428   1.297
  296    H    LYS  44           H        LYS  44  -4.867  -7.336   6.631
  297    HA   LYS  44           HA       LYS  44  -6.810  -5.770   8.262
  298   1HB   LYS  44          1HB       LYS  44  -7.267  -7.973   6.965
  299   2HB   LYS  44          2HB       LYS  44  -6.369  -8.758   8.263
  300   1HG   LYS  44          1HG       LYS  44  -8.454  -8.856   9.219
  301   2HG   LYS  44          2HG       LYS  44  -8.027  -7.228   9.744
  302   1HD   LYS  44          2HD       LYS  44  -9.027  -6.855   7.169
  303   2HD   LYS  44          1HD       LYS  44 -10.085  -8.088   7.855
  304   1HE   LYS  44          2HE       LYS  44  -9.673  -6.161   9.904
  305   2HE   LYS  44          1HE       LYS  44 -10.046  -5.262   8.419
  306   1HZ   LYS  44          1HZ       LYS  44 -12.119  -5.898   9.335
  307   2HZ   LYS  44          2HZ       LYS  44 -11.588  -7.482   9.654
  308   3HZ   LYS  44          3HZ       LYS  44 -11.843  -6.975   8.052
  309   1H    ACE  45          1H        ACE  45   7.000  13.842   4.625
  310   2H    ACE  45          2H        ACE  45   5.881  13.905   3.264
  311   3H    ACE  45          3H        ACE  45   6.757  15.354   3.753
  312    HA   PRO  46           HA       PRO  46   8.806  12.771   0.576
  313   1HB   PRO  46          2HB       PRO  46   9.240  10.087   0.873
  314   2HB   PRO  46          1HB       PRO  46  10.444  11.312   1.317
  315   1HG   PRO  46          2HG       PRO  46   8.562   9.794   3.049
  316   2HG   PRO  46          1HG       PRO  46  10.244  10.259   3.345
  317   1HD   PRO  46          2HD       PRO  46   8.116  11.568   4.426
  318   2HD   PRO  46          1HD       PRO  46   9.676  12.347   4.083
  319    H    LEU  47           H        LEU  47   6.373  11.245   2.572
  320    HA   LEU  47           HA       LEU  47   5.045   9.525   0.808
  321   1HB   LEU  47          2HB       LEU  47   4.502   9.889   3.177
  322   2HB   LEU  47          1HB       LEU  47   3.922  11.512   2.805
  323    HG   LEU  47           HG       LEU  47   2.616   9.686   1.037
  324   1HD1  LEU  47          1HD2      LEU  47   2.958   7.852   2.503
  325   2HD1  LEU  47          2HD2      LEU  47   1.350   8.446   2.915
  326   3HD1  LEU  47          3HD2      LEU  47   2.728   8.851   3.938
  327   1HD2  LEU  47          1HD1      LEU  47   1.064  10.702   3.309
  328   2HD2  LEU  47          2HD1      LEU  47   0.872  11.023   1.586
  329   3HD2  LEU  47          3HD1      LEU  47   2.042  11.946   2.531
  330    HA   PRO  48           HA       PRO  48   3.951  12.495  -2.372
  331   1HB   PRO  48          2HB       PRO  48   2.599  10.746  -3.992
  332   2HB   PRO  48          1HB       PRO  48   4.370  10.846  -3.935
  333   1HG   PRO  48          2HG       PRO  48   2.530   8.899  -2.625
  334   2HG   PRO  48          1HG       PRO  48   4.096   8.621  -3.398
  335   1HD   PRO  48          1HD       PRO  48   3.761   8.767  -0.698
  336   2HD   PRO  48          2HD       PRO  48   5.270   9.219  -1.519
  337    HA   PRO  49           HA       PRO  49  -0.166  13.346  -0.911
  338   1HB   PRO  49          1HB       PRO  49  -0.741  15.446  -2.566
  339   2HB   PRO  49          2HB       PRO  49   0.333  15.588  -1.164
  340   1HG   PRO  49          1HG       PRO  49   1.000  15.333  -4.052
  341   2HG   PRO  49          2HG       PRO  49   1.793  16.288  -2.793
  342   1HD   PRO  49          1HD       PRO  49   2.732  13.886  -3.742
  343   2HD   PRO  49          2HD       PRO  49   3.109  14.540  -2.135
  344    H    TYR  50           H        TYR  50  -2.415  13.353  -1.813
  345    HA   TYR  50           HA       TYR  50  -2.744  12.458  -4.613
  346   1HB   TYR  50          2HB       TYR  50  -2.115  10.487  -3.099
  347   2HB   TYR  50          1HB       TYR  50  -3.676  10.724  -2.311
  348    HD1  TYR  50           1HD      TYR  50  -5.264   9.189  -3.040
  349    HD2  TYR  50           2HD      TYR  50  -2.476  10.811  -5.870
  350    HE1  TYR  50           1HE      TYR  50  -6.382   7.929  -4.858
  351    HE2  TYR  50           2HE      TYR  50  -3.592   9.553  -7.692
  352    HH   TYR  50           HH       TYR  50  -5.856   7.070  -7.088
  Start of MODEL   14
    1    H    PHE   5           H        PHE   5   1.452 -20.291  11.703
    2    HA   PHE   5           HA       PHE   5   4.037 -21.562  10.879
    3   1HB   PHE   5          2HB       PHE   5   1.348 -22.262  10.176
    4   2HB   PHE   5          1HB       PHE   5   2.144 -21.618   8.738
    5    HD1  PHE   5           1HD      PHE   5   2.011 -24.360  11.138
    6    HD2  PHE   5           2HD      PHE   5   4.279 -22.630   7.927
    7    HE1  PHE   5           1HE      PHE   5   3.260 -26.486  10.875
    8    HE2  PHE   5           2HE      PHE   5   5.529 -24.755   7.665
    9    HZ   PHE   5           HZ       PHE   5   5.020 -26.683   9.139
   10    H    GLU   6           H        GLU   6   4.708 -19.207  11.189
   11    HA   GLU   6           HA       GLU   6   5.228 -17.089  10.274
   12   1HB   GLU   6          1HB       GLU   6   5.408 -19.120   8.353
   13   2HB   GLU   6          2HB       GLU   6   4.528 -17.825   7.540
   14   1HG   GLU   6          2HG       GLU   6   6.305 -16.358   7.661
   15   2HG   GLU   6          1HG       GLU   6   6.921 -17.064   9.157
   16    H    ILE   7           H        ILE   7   4.231 -15.364   8.642
   17    HA   ILE   7           HA       ILE   7   1.493 -14.884   9.491
   18    HB   ILE   7           HB       ILE   7   1.797 -12.865   8.062
   19   1HG1  ILE   7          1HG1      ILE   7   4.543 -13.171   7.368
   20   2HG1  ILE   7          2HG1      ILE   7   3.695 -14.601   6.781
   21   1HG2  ILE   7          1HG2      ILE   7   4.212 -13.601   9.745
   22   2HG2  ILE   7          2HG2      ILE   7   2.716 -12.888  10.347
   23   3HG2  ILE   7          3HG2      ILE   7   3.762 -11.964   9.268
   24   1HD1  ILE   7          1HD1      ILE   7   2.586 -13.422   5.194
   25   2HD1  ILE   7          2HD1      ILE   7   3.775 -12.154   5.493
   26   3HD1  ILE   7          3HD1      ILE   7   2.215 -12.111   6.314
   27    HA   PRO   8           HA       PRO   8  -0.636 -16.773   6.131
   28   1HB   PRO   8          1HB       PRO   8  -2.797 -15.115   5.863
   29   2HB   PRO   8          2HB       PRO   8  -2.615 -16.258   7.208
   30   1HG   PRO   8          1HG       PRO   8  -2.111 -13.322   7.123
   31   2HG   PRO   8          2HG       PRO   8  -2.827 -14.304   8.408
   32   1HD   PRO   8          1HD       PRO   8  -0.242 -13.416   8.438
   33   2HD   PRO   8          2HD       PRO   8  -0.784 -14.891   9.264
   34    H    ASP   9           H        ASP   9  -1.906 -15.875   3.974
   35    HA   ASP   9           HA       ASP   9  -0.469 -13.567   2.788
   36   1HB   ASP   9          1HB       ASP   9   1.000 -15.528   2.493
   37   2HB   ASP   9          2HB       ASP   9  -0.326 -16.412   1.739
   38    H    ASP  10           H        ASP  10  -3.206 -13.740   3.365
   39    HA   ASP  10           HA       ASP  10  -4.805 -14.764   1.198
   40   1HB   ASP  10          1HB       ASP  10  -5.070 -13.098   3.617
   41   2HB   ASP  10          2HB       ASP  10  -6.243 -12.724   2.356
   42    H    VAL  11           H        VAL  11  -4.726 -11.309   2.008
   43    HA   VAL  11           HA       VAL  11  -4.122 -10.702  -0.865
   44    HB   VAL  11           HB       VAL  11  -6.537 -10.583  -0.408
   45   1HG1  VAL  11          1HG2      VAL  11  -6.617  -8.316   1.336
   46   2HG1  VAL  11          2HG2      VAL  11  -5.613  -9.555   2.091
   47   3HG1  VAL  11          3HG2      VAL  11  -7.270  -9.930   1.618
   48   1HG2  VAL  11          1HG1      VAL  11  -6.880  -8.152  -0.961
   49   2HG2  VAL  11          2HG1      VAL  11  -5.678  -8.949  -1.978
   50   3HG2  VAL  11          3HG1      VAL  11  -5.161  -7.895  -0.661
   51    HA   PRO  12           HA       PRO  12  -1.212  -7.929   0.985
   52   1HB   PRO  12          1HB       PRO  12  -0.733  -6.312  -1.169
   53   2HB   PRO  12          2HB       PRO  12  -0.082  -7.955  -1.031
   54   1HG   PRO  12          2HG       PRO  12  -2.428  -6.962  -2.577
   55   2HG   PRO  12          1HG       PRO  12  -1.223  -8.181  -3.015
   56   1HD   PRO  12          2HD       PRO  12  -3.740  -8.775  -2.120
   57   2HD   PRO  12          1HD       PRO  12  -2.343  -9.853  -1.923
   58    H    LEU  13           H        LEU  13  -3.834  -6.502  -0.979
   59    HA   LEU  13           HA       LEU  13  -4.265  -4.482   1.172
   60   1HB   LEU  13          1HB       LEU  13  -3.601  -4.016  -1.741
   61   2HB   LEU  13          2HB       LEU  13  -4.445  -2.794  -0.790
   62    HG   LEU  13           HG       LEU  13  -2.447  -3.358   0.927
   63   1HD1  LEU  13          1HD1      LEU  13  -0.590  -3.295  -1.231
   64   2HD1  LEU  13          2HD1      LEU  13  -1.685  -4.645  -1.523
   65   3HD1  LEU  13          3HD1      LEU  13  -0.786  -4.553  -0.009
   66   1HD2  LEU  13          1HD2      LEU  13  -2.886  -1.116   0.225
   67   2HD2  LEU  13          2HD2      LEU  13  -2.449  -1.480  -1.445
   68   3HD2  LEU  13          3HD2      LEU  13  -1.203  -1.427  -0.199
   69    HA   PRO  14           HA       PRO  14  -8.462  -5.443   0.243
   70   1HB   PRO  14          2HB       PRO  14  -9.708  -3.185   1.159
   71   2HB   PRO  14          1HB       PRO  14  -9.042  -4.432   2.230
   72   1HG   PRO  14          1HG       PRO  14  -7.915  -1.791   1.460
   73   2HG   PRO  14          2HG       PRO  14  -7.858  -2.630   3.014
   74   1HD   PRO  14          2HD       PRO  14  -5.768  -2.537   1.240
   75   2HD   PRO  14          1HD       PRO  14  -6.002  -3.831   2.432
   76    H    ALA  15           H        ALA  15 -10.515  -3.867  -0.620
   77    HA   ALA  15           HA       ALA  15  -9.844  -3.368  -3.395
   78   1HB   ALA  15          1HB       ALA  15 -12.311  -2.623  -1.795
   79   2HB   ALA  15          2HB       ALA  15 -12.014  -4.226  -2.468
   80   3HB   ALA  15          3HB       ALA  15 -12.218  -2.842  -3.542
   81    H    GLY  16           H        GLY  16 -10.493  -1.215  -4.437
   82   1HA   GLY  16          1HA       GLY  16 -10.231   1.108  -4.639
   83   2HA   GLY  16          2HA       GLY  16 -10.516   1.211  -2.903
   84    H    TRP  17           H        TRP  17  -7.954  -0.908  -3.731
   85    HA   TRP  17           HA       TRP  17  -5.975   1.206  -2.957
   86   1HB   TRP  17          2HB       TRP  17  -6.469  -1.639  -2.265
   87   2HB   TRP  17          1HB       TRP  17  -4.779  -1.153  -2.395
   88    HD1  TRP  17           HD       TRP  17  -7.867  -0.718  -0.277
   89    HE1  TRP  17           1HE      TRP  17  -7.271   0.668   1.822
   90    HE3  TRP  17           3HE      TRP  17  -3.164   0.763  -1.537
   91    HZ2  TRP  17           2HZ      TRP  17  -5.052   2.202   2.828
   92    HZ3  TRP  17           3HZ      TRP  17  -1.837   2.178  -0.010
   93    HH2  TRP  17           HH       TRP  17  -2.753   2.897   2.160
   94    H    GLU  18           H        GLU  18  -4.090   1.408  -4.221
   95    HA   GLU  18           HA       GLU  18  -3.850  -0.466  -6.556
   96   1HB   GLU  18          1HB       GLU  18  -4.274   2.433  -6.415
   97   2HB   GLU  18          2HB       GLU  18  -2.911   1.984  -7.433
   98   1HG   GLU  18          1HG       GLU  18  -4.745   1.915  -8.912
   99   2HG   GLU  18          2HG       GLU  18  -4.511   0.226  -8.458
  100    H    MET  19           H        MET  19  -2.026  -1.581  -5.567
  101    HA   MET  19           HA       MET  19   0.243  -0.145  -4.500
  102   1HB   MET  19          1HB       MET  19   1.351  -2.360  -4.763
  103   2HB   MET  19          2HB       MET  19  -0.169  -2.476  -3.906
  104   1HG   MET  19          1HG       MET  19  -0.999  -2.827  -6.495
  105   2HG   MET  19          2HG       MET  19   0.614  -3.523  -6.569
  106   1HE   MET  19          1HE       MET  19  -2.796  -4.716  -3.762
  107   2HE   MET  19          2HE       MET  19  -2.529  -3.180  -4.582
  108   3HE   MET  19          3HE       MET  19  -1.576  -3.588  -3.158
  109    H    ALA  20           H        ALA  20   1.653   0.985  -5.687
  110    HA   ALA  20           HA       ALA  20   2.535   0.032  -8.329
  111   1HB   ALA  20          1HB       ALA  20   0.484   2.072  -7.864
  112   2HB   ALA  20          2HB       ALA  20   0.941   1.284  -9.374
  113   3HB   ALA  20          3HB       ALA  20   1.822   2.704  -8.820
  114    H    LYS  21           H        LYS  21   3.701   2.782  -8.888
  115    HA   LYS  21           HA       LYS  21   5.522   2.896  -6.521
  116   1HB   LYS  21          1HB       LYS  21   7.376   3.178  -8.157
  117   2HB   LYS  21          2HB       LYS  21   6.524   1.651  -8.382
  118   1HG   LYS  21          1HG       LYS  21   5.356   2.461 -10.284
  119   2HG   LYS  21          2HG       LYS  21   5.757   4.139  -9.917
  120   1HD   LYS  21          2HD       LYS  21   7.612   3.970 -11.177
  121   2HD   LYS  21          1HD       LYS  21   8.202   2.676 -10.135
  122   1HE   LYS  21          1HE       LYS  21   7.656   1.068 -11.659
  123   2HE   LYS  21          2HE       LYS  21   6.086   1.819 -12.006
  124   1HZ   LYS  21          1HZ       LYS  21   7.073   3.372 -13.434
  125   2HZ   LYS  21          2HZ       LYS  21   7.852   1.914 -13.831
  126   3HZ   LYS  21          3HZ       LYS  21   8.637   3.062 -12.856
  127    H    THR  22           H        THR  22   6.644   4.864  -6.174
  128    HA   THR  22           HA       THR  22   5.356   7.261  -7.454
  129    HB   THR  22           HB       THR  22   4.405   6.901  -5.261
  130    HG1  THR  22           1HG      THR  22   5.449   8.745  -4.127
  131   1HG2  THR  22          1HG2      THR  22   6.111   5.373  -4.370
  132   2HG2  THR  22          2HG2      THR  22   5.837   6.703  -3.244
  133   3HG2  THR  22          3HG2      THR  22   7.266   6.703  -4.280
  134    H    SER  23           H        SER  23   6.892   9.163  -6.073
  135    HA   SER  23           HA       SER  23   9.275   9.319  -7.610
  136   1HB   SER  23          2HB       SER  23   7.929  11.088  -6.288
  137   2HB   SER  23          1HB       SER  23   8.866  10.567  -4.888
  138    HG   SER  23           HG       SER  23   9.622  12.344  -6.506
  139    H    SER  24           H        SER  24  11.494   9.600  -6.347
  140    HA   SER  24           HA       SER  24  13.236   8.671  -5.059
  141   1HB   SER  24          2HB       SER  24  10.983   8.429  -3.487
  142   2HB   SER  24          1HB       SER  24  11.551   6.763  -3.590
  143    HG   SER  24           HG       SER  24  13.656   7.617  -3.015
  144    H    GLY  25           H        GLY  25  10.797   6.184  -5.755
  145   1HA   GLY  25          2HA       GLY  25  11.410   4.628  -7.673
  146   2HA   GLY  25          1HA       GLY  25  12.993   4.514  -6.904
  147    H    GLN  26           H        GLN  26   9.860   4.555  -5.244
  148    HA   GLN  26           HA       GLN  26  10.358   1.715  -4.408
  149   1HB   GLN  26          2HB       GLN  26   9.443   4.129  -2.812
  150   2HB   GLN  26          1HB       GLN  26   9.440   2.480  -2.186
  151   1HG   GLN  26          2HG       GLN  26  11.995   3.147  -3.408
  152   2HG   GLN  26          1HG       GLN  26  11.585   4.278  -2.118
  153   1HE2  GLN  26          1HE2      GLN  26  13.088   1.333  -2.655
  154   2HE2  GLN  26          2HE2      GLN  26  12.906   0.649  -1.112
  155    H    ARG  27           H        ARG  27   8.374   0.523  -3.867
  156    HA   ARG  27           HA       ARG  27   6.123   1.300  -5.580
  157   1HB   ARG  27          1HB       ARG  27   7.139  -1.093  -4.260
  158   2HB   ARG  27          2HB       ARG  27   5.401  -0.924  -4.034
  159   1HG   ARG  27          2HG       ARG  27   5.429  -1.986  -6.091
  160   2HG   ARG  27          1HG       ARG  27   5.459  -0.294  -6.605
  161   1HD   ARG  27          1HD       ARG  27   7.743  -0.379  -7.160
  162   2HD   ARG  27          2HD       ARG  27   8.049  -1.767  -6.098
  163    HE   ARG  27           HE       ARG  27   7.056  -1.905  -8.829
  164   1HH1  ARG  27          1HH2      ARG  27   6.901  -3.381  -5.679
  165   2HH1  ARG  27          2HH2      ARG  27   6.467  -4.933  -6.307
  166   1HH2  ARG  27          1HH1      ARG  27   6.492  -3.929  -9.619
  167   2HH2  ARG  27          2HH1      ARG  27   6.237  -5.243  -8.521
  168    H    TYR  28           H        TYR  28   4.577   2.631  -4.847
  169    HA   TYR  28           HA       TYR  28   4.027   2.658  -1.913
  170   1HB   TYR  28          1HB       TYR  28   3.238   4.877  -2.182
  171   2HB   TYR  28          2HB       TYR  28   4.645   4.793  -3.230
  172    HD1  TYR  28           1HD      TYR  28   2.855   3.023  -5.332
  173    HD2  TYR  28           2HD      TYR  28   2.473   6.879  -3.474
  174    HE1  TYR  28           1HE      TYR  28   1.579   3.816  -7.260
  175    HE2  TYR  28           2HE      TYR  28   1.178   7.655  -5.423
  176    HH   TYR  28           HH       TYR  28   0.914   7.115  -7.786
  177    H    PHE  29           H        PHE  29   1.618   3.225  -1.549
  178    HA   PHE  29           HA       PHE  29   0.008   1.424  -3.288
  179   1HB   PHE  29          2HB       PHE  29   0.200   1.646  -0.265
  180   2HB   PHE  29          1HB       PHE  29  -1.037   0.695  -1.102
  181    HD1  PHE  29           1HD      PHE  29  -0.527  -1.374  -2.123
  182    HD2  PHE  29           2HD      PHE  29   2.678   1.105  -0.709
  183    HE1  PHE  29           1HE      PHE  29   1.079  -3.198  -2.590
  184    HE2  PHE  29           2HE      PHE  29   4.283  -0.725  -1.173
  185    HZ   PHE  29           HZ       PHE  29   3.486  -2.875  -2.115
  186    H    LEU  30           H        LEU  30  -0.999   2.977  -4.395
  187    HA   LEU  30           HA       LEU  30  -1.891   5.481  -3.328
  188   1HB   LEU  30          1HB       LEU  30  -1.706   4.062  -5.803
  189   2HB   LEU  30          2HB       LEU  30  -3.352   4.667  -5.660
  190    HG   LEU  30           HG       LEU  30  -0.813   6.278  -5.419
  191   1HD1  LEU  30          1HD1      LEU  30  -1.664   5.513  -7.711
  192   2HD1  LEU  30          2HD1      LEU  30  -1.415   7.245  -7.497
  193   3HD1  LEU  30          3HD1      LEU  30  -3.043   6.575  -7.421
  194   1HD2  LEU  30          1HD2      LEU  30  -3.425   7.620  -5.584
  195   2HD2  LEU  30          2HD2      LEU  30  -1.977   8.064  -4.682
  196   3HD2  LEU  30          3HD2      LEU  30  -3.067   6.834  -4.050
  197    H    ASN  31           H        ASN  31  -3.324   5.458  -1.688
  198    HA   ASN  31           HA       ASN  31  -5.424   3.473  -1.363
  199   1HB   ASN  31          1HB       ASN  31  -4.313   4.449   0.538
  200   2HB   ASN  31          2HB       ASN  31  -4.627   6.081  -0.042
  201   1HD2  ASN  31          1HD2      ASN  31  -5.577   4.085   2.333
  202   2HD2  ASN  31          2HD2      ASN  31  -7.205   4.525   2.483
  203    H    HIS  32           H        HIS  32  -7.107   3.569  -2.853
  204    HA   HIS  32           HA       HIS  32  -8.083   6.155  -3.869
  205   1HB   HIS  32          1HB       HIS  32  -7.911   3.584  -4.828
  206   2HB   HIS  32          2HB       HIS  32  -9.610   3.680  -4.371
  207    HD1  HIS  32           1HD      HIS  32 -10.792   6.059  -5.271
  208    HD2  HIS  32           2HD      HIS  32  -7.462   4.635  -7.337
  209    HE1  HIS  32           1HE      HIS  32 -10.823   7.183  -7.541
  210    H    ILE  33           H        ILE  33  -8.963   3.739  -1.506
  211    HA   ILE  33           HA       ILE  33 -11.681   4.276  -1.043
  212    HB   ILE  33           HB       ILE  33 -11.125   3.527   1.287
  213   1HG1  ILE  33          1HG1      ILE  33  -8.272   3.671   0.270
  214   2HG1  ILE  33          2HG1      ILE  33  -8.970   4.669   1.544
  215   1HG2  ILE  33          1HG2      ILE  33  -9.527   1.855  -0.626
  216   2HG2  ILE  33          2HG2      ILE  33 -11.263   2.045  -0.872
  217   3HG2  ILE  33          3HG2      ILE  33 -10.657   1.338   0.626
  218   1HD1  ILE  33          1HD1      ILE  33  -7.624   2.634   2.316
  219   2HD1  ILE  33          2HD1      ILE  33  -8.954   1.654   1.705
  220   3HD1  ILE  33          3HD1      ILE  33  -9.236   2.813   3.003
  221    H    ASP  34           H        ASP  34  -8.842   6.007   0.191
  222    HA   ASP  34           HA       ASP  34 -10.631   8.301   0.907
  223   1HB   ASP  34          2HB       ASP  34  -8.589   6.788   2.498
  224   2HB   ASP  34          1HB       ASP  34  -8.793   8.511   2.815
  225    H    GLN  35           H        GLN  35  -8.534   7.513  -1.311
  226    HA   GLN  35           HA       GLN  35  -6.916   8.663  -2.584
  227   1HB   GLN  35          1HB       GLN  35  -8.049  10.997  -1.011
  228   2HB   GLN  35          2HB       GLN  35  -7.212  11.091  -2.561
  229   1HG   GLN  35          1HG       GLN  35  -9.144  10.704  -3.645
  230   2HG   GLN  35          2HG       GLN  35  -9.332   9.175  -2.788
  231   1HE2  GLN  35          1HE2      GLN  35 -10.140  12.643  -2.655
  232   2HE2  GLN  35          2HE2      GLN  35 -11.376  12.482  -1.503
  233    H    THR  36           H        THR  36  -5.112   7.659  -1.436
  234    HA   THR  36           HA       THR  36  -3.413   9.623  -0.051
  235    HB   THR  36           HB       THR  36  -3.836   7.063   1.434
  236    HG1  THR  36           1HG      THR  36  -5.708   7.725   2.310
  237   1HG2  THR  36          1HG2      THR  36  -2.424   9.402   1.848
  238   2HG2  THR  36          2HG2      THR  36  -2.823   8.215   3.091
  239   3HG2  THR  36          3HG2      THR  36  -3.857   9.625   2.853
  240    H    THR  37           H        THR  37  -1.337   8.141   0.758
  241    HA   THR  37           HA       THR  37  -0.813   5.942  -1.158
  242    HB   THR  37           HB       THR  37   1.167   7.103  -2.074
  243    HG1  THR  37           1HG      THR  37   0.246   9.136  -0.337
  244   1HG2  THR  37          1HG2      THR  37  -1.146   7.344  -3.078
  245   2HG2  THR  37          2HG2      THR  37  -0.001   8.613  -3.505
  246   3HG2  THR  37          3HG2      THR  37  -1.241   8.915  -2.289
  247    H    THR  38           H        THR  38   0.041   4.415   0.183
  248    HA   THR  38           HA       THR  38   1.989   5.348   2.280
  249    HB   THR  38           HB       THR  38  -0.159   4.334   3.083
  250    HG1  THR  38           1HG      THR  38   2.238   2.883   3.486
  251   1HG2  THR  38          1HG2      THR  38  -0.592   1.969   2.684
  252   2HG2  THR  38          2HG2      THR  38   0.882   1.834   1.724
  253   3HG2  THR  38          3HG2      THR  38  -0.463   2.811   1.142
  254    H    TRP  39           H        TRP  39   3.898   3.942   2.557
  255    HA   TRP  39           HA       TRP  39   4.704   2.695  -0.009
  256   1HB   TRP  39          1HB       TRP  39   6.316   2.918   2.547
  257   2HB   TRP  39          2HB       TRP  39   6.917   2.812   0.897
  258    HD1  TRP  39           HD       TRP  39   5.249   5.249   3.331
  259    HE1  TRP  39           1HE      TRP  39   5.659   7.656   2.506
  260    HE3  TRP  39           3HE      TRP  39   7.423   4.295  -1.211
  261    HZ2  TRP  39           2HZ      TRP  39   6.763   8.993   0.255
  262    HZ3  TRP  39           3HZ      TRP  39   8.151   6.160  -2.655
  263    HH2  TRP  39           HH       TRP  39   7.818   8.509  -1.938
  264    H    GLN  40           H        GLN  40   4.220   1.777   3.398
  265    HA   GLN  40           HA       GLN  40   3.463  -0.927   2.730
  266   1HB   GLN  40          1HB       GLN  40   6.033  -0.677   2.304
  267   2HB   GLN  40          2HB       GLN  40   6.158  -0.718   4.064
  268   1HG   GLN  40          2HG       GLN  40   4.391  -2.806   3.381
  269   2HG   GLN  40          1HG       GLN  40   5.717  -2.907   2.222
  270   1HE2  GLN  40          1HE2      GLN  40   6.880  -4.674   3.136
  271   2HE2  GLN  40          2HE2      GLN  40   7.544  -4.646   4.696
  272    H    ASP  41           H        ASP  41   2.261  -1.641   4.459
  273    HA   ASP  41           HA       ASP  41   3.016  -1.338   7.214
  274   1HB   ASP  41          1HB       ASP  41   1.751   0.916   5.896
  275   2HB   ASP  41          2HB       ASP  41   0.750   0.337   7.226
  276    HA   PRO  42           HA       PRO  42  -1.498  -2.872   7.076
  277   1HB   PRO  42          1HB       PRO  42  -2.895  -2.685   4.730
  278   2HB   PRO  42          2HB       PRO  42  -2.878  -1.399   5.950
  279   1HG   PRO  42          1HG       PRO  42  -1.345  -1.625   3.404
  280   2HG   PRO  42          2HG       PRO  42  -2.099  -0.205   4.143
  281   1HD   PRO  42          1HD       PRO  42   0.575  -0.737   4.268
  282   2HD   PRO  42          2HD       PRO  42  -0.296   0.197   5.501
  283    H    ARG  43           H        ARG  43  -1.795  -5.087   6.854
  284    HA   ARG  43           HA       ARG  43  -1.383  -7.285   6.085
  285   1HB   ARG  43          1HB       ARG  43  -1.846  -5.555   3.677
  286   2HB   ARG  43          2HB       ARG  43  -1.388  -7.241   3.435
  287   1HG   ARG  43          1HG       ARG  43  -3.610  -6.512   5.337
  288   2HG   ARG  43          2HG       ARG  43  -3.922  -6.662   3.607
  289   1HD   ARG  43          2HD       ARG  43  -4.153  -8.895   3.982
  290   2HD   ARG  43          1HD       ARG  43  -2.399  -8.935   4.246
  291    HE   ARG  43           HE       ARG  43  -2.849  -9.140   6.555
  292   1HH1  ARG  43          1HH2      ARG  43  -5.554  -7.688   4.915
  293   2HH1  ARG  43          2HH2      ARG  43  -6.525  -7.621   6.344
  294   1HH2  ARG  43          1HH1      ARG  43  -4.128  -9.042   8.396
  295   2HH2  ARG  43          2HH1      ARG  43  -5.727  -8.381   8.301
  296    H    LYS  44           H        LYS  44   0.203  -8.519   4.451
  297    HA   LYS  44           HA       LYS  44   2.887  -7.930   5.230
  298   1HB   LYS  44          2HB       LYS  44   3.411  -9.710   3.599
  299   2HB   LYS  44          1HB       LYS  44   1.993 -10.141   4.554
  300   1HG   LYS  44          1HG       LYS  44   1.206 -10.605   2.421
  301   2HG   LYS  44          2HG       LYS  44   0.710  -8.919   2.577
  302   1HD   LYS  44          1HD       LYS  44   2.294  -8.173   1.091
  303   2HD   LYS  44          2HD       LYS  44   3.463  -9.410   1.556
  304   1HE   LYS  44          2HE       LYS  44   1.969 -11.110   0.387
  305   2HE   LYS  44          1HE       LYS  44   1.055  -9.735  -0.264
  306   1HZ   LYS  44          1HZ       LYS  44   3.934 -10.362  -0.625
  307   2HZ   LYS  44          2HZ       LYS  44   3.299  -8.818  -0.943
  308   3HZ   LYS  44          3HZ       LYS  44   2.753 -10.163  -1.826
  309   1H    ACE  45          1H        ACE  45   6.242  14.856   1.199
  310   2H    ACE  45          2H        ACE  45   7.236  16.228   0.709
  311   3H    ACE  45          3H        ACE  45   7.546  15.420   2.245
  312    HA   PRO  46           HA       PRO  46   8.881  12.246  -0.812
  313   1HB   PRO  46          2HB       PRO  46   8.889   9.946   0.666
  314   2HB   PRO  46          1HB       PRO  46  10.266  11.066   0.616
  315   1HG   PRO  46          2HG       PRO  46   8.162  10.748   2.692
  316   2HG   PRO  46          1HG       PRO  46   9.894  11.066   2.877
  317   1HD   PRO  46          2HD       PRO  46   7.982  12.991   3.108
  318   2HD   PRO  46          1HD       PRO  46   9.646  13.319   2.582
  319    H    LEU  47           H        LEU  47   6.496  11.337   1.709
  320    HA   LEU  47           HA       LEU  47   4.910   9.556   0.225
  321   1HB   LEU  47          1HB       LEU  47   4.700  10.024   2.627
  322   2HB   LEU  47          2HB       LEU  47   4.122  11.651   2.273
  323    HG   LEU  47           HG       LEU  47   2.514   9.868   0.759
  324   1HD1  LEU  47          1HD2      LEU  47   1.532   8.592   2.761
  325   2HD1  LEU  47          2HD2      LEU  47   3.034   8.976   3.601
  326   3HD1  LEU  47          3HD2      LEU  47   3.071   8.003   2.131
  327   1HD2  LEU  47          1HD1      LEU  47   1.303  11.668   1.453
  328   2HD2  LEU  47          2HD1      LEU  47   2.255  11.858   2.926
  329   3HD2  LEU  47          3HD1      LEU  47   0.953  10.669   2.864
  330    HA   PRO  48           HA       PRO  48   3.484  12.464  -2.892
  331   1HB   PRO  48          2HB       PRO  48   1.962  10.675  -4.305
  332   2HB   PRO  48          1HB       PRO  48   3.726  10.784  -4.458
  333   1HG   PRO  48          2HG       PRO  48   2.066   8.861  -2.899
  334   2HG   PRO  48          1HG       PRO  48   3.529   8.570  -3.849
  335   1HD   PRO  48          2HD       PRO  48   3.526   8.769  -1.134
  336   2HD   PRO  48          1HD       PRO  48   4.919   9.220  -2.140
  337    HA   PRO  49           HA       PRO  49  -0.374  13.157  -0.666
  338   1HB   PRO  49          1HB       PRO  49  -0.901  15.621  -1.741
  339   2HB   PRO  49          2HB       PRO  49   0.255  15.369  -0.420
  340   1HG   PRO  49          2HG       PRO  49   0.752  15.726  -3.339
  341   2HG   PRO  49          1HG       PRO  49   1.647  16.376  -1.956
  342   1HD   PRO  49          1HD       PRO  49   2.481  14.223  -3.400
  343   2HD   PRO  49          2HD       PRO  49   2.864  14.448  -1.680
  344    H    TYR  50           H        TYR  50  -1.841  11.724  -1.619
  345    HA   TYR  50           HA       TYR  50  -2.764  12.269  -4.404
  346   1HB   TYR  50          2HB       TYR  50  -1.951  10.015  -3.735
  347   2HB   TYR  50          1HB       TYR  50  -3.226   9.935  -2.519
  348    HD1  TYR  50           1HD      TYR  50  -5.026   8.608  -3.147
  349    HD2  TYR  50           2HD      TYR  50  -3.014  10.954  -6.131
  350    HE1  TYR  50           1HE      TYR  50  -6.616   7.787  -4.865
  351    HE2  TYR  50           2HE      TYR  50  -4.604  10.133  -7.848
  352    HH   TYR  50           HH       TYR  50  -7.233   9.149  -7.598
  Start of MODEL   15
    1    H    PHE   5           H        PHE   5   0.297 -10.735  19.541
    2    HA   PHE   5           HA       PHE   5  -2.373 -10.892  18.215
    3   1HB   PHE   5          2HB       PHE   5  -3.358  -9.775  20.195
    4   2HB   PHE   5          1HB       PHE   5  -2.644 -11.327  20.632
    5    HD1  PHE   5           1HD      PHE   5  -0.345 -11.388  21.671
    6    HD2  PHE   5           2HD      PHE   5  -2.529  -7.731  21.104
    7    HE1  PHE   5           1HE      PHE   5   1.136 -10.250  23.304
    8    HE2  PHE   5           2HE      PHE   5  -1.047  -6.595  22.736
    9    HZ   PHE   5           HZ       PHE   5   0.785  -7.853  23.836
   10    H    GLU   6           H        GLU   6  -0.109  -9.685  17.093
   11    HA   GLU   6           HA       GLU   6  -0.617  -6.757  17.525
   12   1HB   GLU   6          1HB       GLU   6   1.637  -7.715  18.144
   13   2HB   GLU   6          2HB       GLU   6   1.856  -8.144  16.448
   14   1HG   GLU   6          2HG       GLU   6   2.841  -6.064  16.396
   15   2HG   GLU   6          1HG       GLU   6   1.171  -5.562  16.137
   16    H    ILE   7           H        ILE   7  -2.441  -7.672  15.860
   17    HA   ILE   7           HA       ILE   7  -3.261  -7.604  13.643
   18    HB   ILE   7           HB       ILE   7  -0.831  -5.794  13.428
   19   1HG1  ILE   7          2HG1      ILE   7  -3.718  -5.196  14.154
   20   2HG1  ILE   7          1HG1      ILE   7  -2.357  -5.180  15.274
   21   1HG2  ILE   7          1HG2      ILE   7  -3.006  -4.907  11.840
   22   2HG2  ILE   7          2HG2      ILE   7  -2.811  -6.629  11.507
   23   3HG2  ILE   7          3HG2      ILE   7  -1.453  -5.527  11.281
   24   1HD1  ILE   7          1HD1      ILE   7  -3.022  -3.262  13.068
   25   2HD1  ILE   7          2HD1      ILE   7  -1.329  -3.507  13.497
   26   3HD1  ILE   7          3HD1      ILE   7  -2.471  -2.927  14.710
   27    HA   PRO   8           HA       PRO   8  -0.296 -10.749  12.151
   28   1HB   PRO   8          1HB       PRO   8  -2.205 -12.408  11.106
   29   2HB   PRO   8          2HB       PRO   8  -1.734 -12.432  12.815
   30   1HG   PRO   8          1HG       PRO   8  -4.103 -11.180  11.513
   31   2HG   PRO   8          2HG       PRO   8  -3.986 -12.026  13.061
   32   1HD   PRO   8          1HD       PRO   8  -4.066  -9.305  12.818
   33   2HD   PRO   8          2HD       PRO   8  -3.289 -10.149  14.173
   34    H    ASP   9           H        ASP   9  -2.892  -9.003  10.581
   35    HA   ASP   9           HA       ASP   9  -3.234  -8.368   8.331
   36   1HB   ASP   9          2HB       ASP   9  -1.217  -7.155   9.154
   37   2HB   ASP   9          1HB       ASP   9  -0.210  -8.441   8.493
   38    H    ASP  10           H        ASP  10  -4.022 -10.640   7.824
   39    HA   ASP  10           HA       ASP  10  -2.090 -12.406   6.447
   40   1HB   ASP  10          1HB       ASP  10  -4.021 -13.040   8.055
   41   2HB   ASP  10          2HB       ASP  10  -5.084 -12.735   6.682
   42    H    VAL  11           H        VAL  11  -5.040 -10.543   5.660
   43    HA   VAL  11           HA       VAL  11  -4.823 -11.172   2.800
   44    HB   VAL  11           HB       VAL  11  -6.563  -9.288   4.424
   45   1HG1  VAL  11          1HG2      VAL  11  -6.270  -8.770   1.929
   46   2HG1  VAL  11          2HG2      VAL  11  -7.925  -9.023   2.485
   47   3HG1  VAL  11          3HG2      VAL  11  -7.077 -10.309   1.624
   48   1HG2  VAL  11          1HG1      VAL  11  -7.219 -11.983   3.204
   49   2HG2  VAL  11          2HG1      VAL  11  -8.229 -11.031   4.291
   50   3HG2  VAL  11          3HG1      VAL  11  -6.741 -11.767   4.887
   51    HA   PRO  12           HA       PRO  12  -2.192  -7.740   1.863
   52   1HB   PRO  12          2HB       PRO  12  -2.754  -7.485  -0.808
   53   2HB   PRO  12          1HB       PRO  12  -1.752  -8.790  -0.154
   54   1HG   PRO  12          2HG       PRO  12  -4.622  -8.806  -0.952
   55   2HG   PRO  12          1HG       PRO  12  -3.373 -10.031  -1.218
   56   1HD   PRO  12          1HD       PRO  12  -5.259 -10.214   0.742
   57   2HD   PRO  12          2HD       PRO  12  -3.642 -10.936   0.878
   58    H    LEU  13           H        LEU  13  -2.820  -5.750  -0.075
   59    HA   LEU  13           HA       LEU  13  -4.419  -3.926   1.398
   60   1HB   LEU  13          2HB       LEU  13  -3.682  -4.084  -1.544
   61   2HB   LEU  13          1HB       LEU  13  -4.326  -2.641  -0.758
   62    HG   LEU  13           HG       LEU  13  -2.263  -3.377   0.929
   63   1HD1  LEU  13          1HD1      LEU  13  -0.766  -4.632  -0.187
   64   2HD1  LEU  13          2HD1      LEU  13  -0.616  -3.355  -1.392
   65   3HD1  LEU  13          3HD1      LEU  13  -1.808  -4.637  -1.610
   66   1HD2  LEU  13          1HD2      LEU  13  -2.736  -1.098   0.237
   67   2HD2  LEU  13          2HD2      LEU  13  -2.279  -1.466  -1.426
   68   3HD2  LEU  13          3HD2      LEU  13  -1.055  -1.460  -0.155
   69    HA   PRO  14           HA       PRO  14  -8.473  -5.387   0.344
   70   1HB   PRO  14          2HB       PRO  14  -9.910  -3.177   1.082
   71   2HB   PRO  14          1HB       PRO  14  -9.224  -4.323   2.250
   72   1HG   PRO  14          2HG       PRO  14  -8.227  -1.649   1.397
   73   2HG   PRO  14          1HG       PRO  14  -8.212  -2.400   2.999
   74   1HD   PRO  14          2HD       PRO  14  -6.028  -2.265   1.346
   75   2HD   PRO  14          1HD       PRO  14  -6.252  -3.509   2.592
   76    H    ALA  15           H        ALA  15 -10.562  -3.816  -0.634
   77    HA   ALA  15           HA       ALA  15  -9.792  -3.455  -3.416
   78   1HB   ALA  15          1HB       ALA  15 -12.231  -2.691  -3.515
   79   2HB   ALA  15          2HB       ALA  15 -12.288  -2.963  -1.772
   80   3HB   ALA  15          3HB       ALA  15 -11.966  -4.309  -2.864
   81    H    GLY  16           H        GLY  16 -10.519  -1.327  -4.545
   82   1HA   GLY  16          1HA       GLY  16 -10.262   0.991  -4.814
   83   2HA   GLY  16          2HA       GLY  16 -10.575   1.141  -3.084
   84    H    TRP  17           H        TRP  17  -7.982  -0.977  -3.824
   85    HA   TRP  17           HA       TRP  17  -6.035   1.155  -3.030
   86   1HB   TRP  17          2HB       TRP  17  -6.518  -1.698  -2.374
   87   2HB   TRP  17          1HB       TRP  17  -4.825  -1.217  -2.508
   88    HD1  TRP  17           HD       TRP  17  -7.900  -0.787  -0.368
   89    HE1  TRP  17           1HE      TRP  17  -7.285   0.571   1.742
   90    HE3  TRP  17           3HE      TRP  17  -3.196   0.682  -1.640
   91    HZ2  TRP  17           2HZ      TRP  17  -5.054   2.083   2.748
   92    HZ3  TRP  17           3HZ      TRP  17  -1.853   2.077  -0.109
   93    HH2  TRP  17           HH       TRP  17  -2.760   2.778   2.078
   94    H    GLU  18           H        GLU  18  -4.072   1.321  -4.216
   95    HA   GLU  18           HA       GLU  18  -3.808  -0.486  -6.595
   96   1HB   GLU  18          1HB       GLU  18  -4.328   2.389  -6.435
   97   2HB   GLU  18          2HB       GLU  18  -2.915   2.014  -7.415
   98   1HG   GLU  18          1HG       GLU  18  -4.776   1.940  -8.910
   99   2HG   GLU  18          2HG       GLU  18  -4.351   0.259  -8.583
  100    H    MET  19           H        MET  19  -1.966  -1.570  -5.591
  101    HA   MET  19           HA       MET  19   0.263  -0.107  -4.491
  102   1HB   MET  19          1HB       MET  19   1.428  -2.286  -4.814
  103   2HB   MET  19          2HB       MET  19  -0.095  -2.469  -3.971
  104   1HG   MET  19          1HG       MET  19  -0.904  -2.757  -6.571
  105   2HG   MET  19          2HG       MET  19   0.730  -3.401  -6.667
  106   1HE   MET  19          1HE       MET  19  -2.441  -3.233  -4.705
  107   2HE   MET  19          2HE       MET  19  -1.486  -3.635  -3.284
  108   3HE   MET  19          3HE       MET  19  -2.648  -4.798  -3.912
  109    H    ALA  20           H        ALA  20   1.673   1.080  -5.640
  110    HA   ALA  20           HA       ALA  20   2.509   0.237  -8.345
  111   1HB   ALA  20          1HB       ALA  20   1.856   2.948  -8.663
  112   2HB   ALA  20          2HB       ALA  20   0.523   2.300  -7.711
  113   3HB   ALA  20          3HB       ALA  20   0.920   1.585  -9.274
  114    H    LYS  21           H        LYS  21   3.732   2.949  -8.799
  115    HA   LYS  21           HA       LYS  21   5.602   2.932  -6.471
  116   1HB   LYS  21          1HB       LYS  21   7.438   3.194  -8.075
  117   2HB   LYS  21          2HB       LYS  21   6.478   1.779  -8.504
  118   1HG   LYS  21          1HG       LYS  21   5.159   3.362 -10.051
  119   2HG   LYS  21          2HG       LYS  21   6.480   4.503  -9.812
  120   1HD   LYS  21          2HD       LYS  21   6.762   1.673 -10.869
  121   2HD   LYS  21          1HD       LYS  21   6.851   3.145 -11.838
  122   1HE   LYS  21          1HE       LYS  21   8.808   3.890 -10.484
  123   2HE   LYS  21          2HE       LYS  21   8.740   2.362  -9.586
  124   1HZ   LYS  21          1HZ       LYS  21   9.052   1.139 -11.590
  125   2HZ   LYS  21          2HZ       LYS  21  10.255   2.339 -11.564
  126   3HZ   LYS  21          3HZ       LYS  21   8.885   2.526 -12.550
  127    H    THR  22           H        THR  22   6.807   4.908  -6.128
  128    HA   THR  22           HA       THR  22   5.338   7.313  -7.190
  129    HB   THR  22           HB       THR  22   4.611   7.095  -4.967
  130    HG1  THR  22           1HG      THR  22   6.951   8.610  -4.569
  131   1HG2  THR  22          1HG2      THR  22   6.207   5.263  -4.343
  132   2HG2  THR  22          2HG2      THR  22   6.029   6.476  -3.077
  133   3HG2  THR  22          3HG2      THR  22   7.459   6.483  -4.107
  134    H    SER  23           H        SER  23   6.727   9.366  -6.529
  135    HA   SER  23           HA       SER  23   9.185   9.232  -8.036
  136   1HB   SER  23          2HB       SER  23   8.129  11.344  -6.128
  137   2HB   SER  23          1HB       SER  23   9.320  11.599  -7.404
  138    HG   SER  23           HG       SER  23   7.224  12.185  -8.076
  139    H    SER  24           H        SER  24  10.496   7.645  -6.921
  140    HA   SER  24           HA       SER  24  12.331   8.684  -4.996
  141   1HB   SER  24          1HB       SER  24   9.828   7.459  -4.014
  142   2HB   SER  24          2HB       SER  24  11.291   6.838  -3.251
  143    HG   SER  24           HG       SER  24  10.408   9.521  -3.415
  144    H    GLY  25           H        GLY  25  10.722   5.844  -6.299
  145   1HA   GLY  25          1HA       GLY  25  12.093   4.213  -7.565
  146   2HA   GLY  25          2HA       GLY  25  13.369   4.463  -6.371
  147    H    GLN  26           H        GLN  26  10.035   4.260  -5.364
  148    HA   GLN  26           HA       GLN  26  10.440   1.436  -4.474
  149   1HB   GLN  26          2HB       GLN  26   9.725   3.872  -2.819
  150   2HB   GLN  26          1HB       GLN  26   9.523   2.220  -2.235
  151   1HG   GLN  26          2HG       GLN  26  12.116   2.258  -3.264
  152   2HG   GLN  26          1HG       GLN  26  11.955   3.820  -2.461
  153   1HE2  GLN  26          1HE2      GLN  26  13.048   0.807  -1.816
  154   2HE2  GLN  26          2HE2      GLN  26  12.646   0.675  -0.171
  155    H    ARG  27           H        ARG  27   8.417   0.343  -3.969
  156    HA   ARG  27           HA       ARG  27   6.180   1.284  -5.620
  157   1HB   ARG  27          1HB       ARG  27   7.133  -1.204  -4.433
  158   2HB   ARG  27          2HB       ARG  27   5.403  -0.988  -4.172
  159   1HG   ARG  27          2HG       ARG  27   5.378  -1.959  -6.279
  160   2HG   ARG  27          1HG       ARG  27   5.434  -0.245  -6.708
  161   1HD   ARG  27          1HD       ARG  27   7.192  -1.054  -8.019
  162   2HD   ARG  27          2HD       ARG  27   8.079  -0.684  -6.528
  163    HE   ARG  27           HE       ARG  27   7.017  -3.277  -6.203
  164   1HH1  ARG  27          1HH2      ARG  27   9.233  -1.634  -8.326
  165   2HH1  ARG  27          2HH2      ARG  27  10.168  -3.056  -8.632
  166   1HH2  ARG  27          1HH1      ARG  27   8.247  -5.109  -6.615
  167   2HH2  ARG  27          2HH1      ARG  27   9.615  -5.010  -7.671
  168    H    TYR  28           H        TYR  28   4.675   2.605  -4.798
  169    HA   TYR  28           HA       TYR  28   4.176   2.514  -1.857
  170   1HB   TYR  28          1HB       TYR  28   3.489   4.771  -2.010
  171   2HB   TYR  28          2HB       TYR  28   4.866   4.675  -3.091
  172    HD1  TYR  28           1HD      TYR  28   2.968   3.088  -5.250
  173    HD2  TYR  28           2HD      TYR  28   2.791   6.841  -3.168
  174    HE1  TYR  28           1HE      TYR  28   1.650   4.042  -7.086
  175    HE2  TYR  28           2HE      TYR  28   1.456   7.783  -5.013
  176    HH   TYR  28           HH       TYR  28   1.154   7.331  -7.477
  177    H    PHE  29           H        PHE  29   1.752   3.145  -1.446
  178    HA   PHE  29           HA       PHE  29   0.135   1.412  -3.255
  179   1HB   PHE  29          2HB       PHE  29   0.283   1.581  -0.231
  180   2HB   PHE  29          1HB       PHE  29  -0.954   0.661  -1.101
  181    HD1  PHE  29           1HD      PHE  29  -0.452  -1.391  -2.165
  182    HD2  PHE  29           2HD      PHE  29   2.762   1.027  -0.664
  183    HE1  PHE  29           1HE      PHE  29   1.141  -3.215  -2.668
  184    HE2  PHE  29           2HE      PHE  29   4.355  -0.805  -1.165
  185    HZ   PHE  29           HZ       PHE  29   3.545  -2.923  -2.166
  186    H    LEU  30           H        LEU  30  -0.882   2.921  -4.361
  187    HA   LEU  30           HA       LEU  30  -1.842   5.425  -3.332
  188   1HB   LEU  30          1HB       LEU  30  -1.304   4.231  -5.742
  189   2HB   LEU  30          2HB       LEU  30  -3.054   4.218  -5.751
  190    HG   LEU  30           HG       LEU  30  -3.164   6.604  -5.540
  191   1HD1  LEU  30          1HD2      LEU  30  -0.510   6.283  -4.418
  192   2HD1  LEU  30          2HD2      LEU  30  -1.601   7.665  -4.328
  193   3HD1  LEU  30          3HD2      LEU  30  -0.503   7.501  -5.694
  194   1HD2  LEU  30          1HD1      LEU  30  -1.301   5.431  -7.540
  195   2HD2  LEU  30          2HD1      LEU  30  -1.367   7.189  -7.440
  196   3HD2  LEU  30          3HD1      LEU  30  -2.832   6.271  -7.789
  197    H    ASN  31           H        ASN  31  -3.279   5.330  -1.708
  198    HA   ASN  31           HA       ASN  31  -5.414   3.358  -1.504
  199   1HB   ASN  31          1HB       ASN  31  -4.329   4.201   0.468
  200   2HB   ASN  31          2HB       ASN  31  -4.553   5.871  -0.041
  201   1HD2  ASN  31          1HD2      ASN  31  -5.592   3.950   2.292
  202   2HD2  ASN  31          2HD2      ASN  31  -7.220   4.400   2.411
  203    H    HIS  32           H        HIS  32  -7.177   3.550  -2.855
  204    HA   HIS  32           HA       HIS  32  -8.029   6.210  -3.828
  205   1HB   HIS  32          1HB       HIS  32  -7.952   3.636  -4.854
  206   2HB   HIS  32          2HB       HIS  32  -9.659   3.848  -4.464
  207    HD1  HIS  32           1HD      HIS  32 -10.593   6.362  -5.328
  208    HD2  HIS  32           2HD      HIS  32  -7.347   4.680  -7.331
  209    HE1  HIS  32           1HE      HIS  32 -10.451   7.531  -7.571
  210    H    ILE  33           H        ILE  33  -8.977   3.732  -1.566
  211    HA   ILE  33           HA       ILE  33 -11.682   4.317  -1.083
  212    HB   ILE  33           HB       ILE  33 -11.143   3.463   1.217
  213   1HG1  ILE  33          1HG1      ILE  33  -8.290   3.544   0.200
  214   2HG1  ILE  33          2HG1      ILE  33  -8.952   4.542   1.491
  215   1HG2  ILE  33          1HG2      ILE  33 -10.338   1.269   0.457
  216   2HG2  ILE  33          2HG2      ILE  33  -9.797   1.988  -1.060
  217   3HG2  ILE  33          3HG2      ILE  33 -11.519   1.923  -0.678
  218   1HD1  ILE  33          1HD1      ILE  33  -9.017   1.524   1.573
  219   2HD1  ILE  33          2HD1      ILE  33  -9.328   2.649   2.896
  220   3HD1  ILE  33          3HD1      ILE  33  -7.696   2.472   2.256
  221    H    ASP  34           H        ASP  34  -8.797   5.932   0.201
  222    HA   ASP  34           HA       ASP  34 -10.511   8.262   0.966
  223   1HB   ASP  34          2HB       ASP  34  -9.616   6.449   2.766
  224   2HB   ASP  34          1HB       ASP  34  -8.221   7.526   2.718
  225    H    GLN  35           H        GLN  35  -8.796   7.876  -1.354
  226    HA   GLN  35           HA       GLN  35  -6.883   8.750  -2.453
  227   1HB   GLN  35          1HB       GLN  35  -7.013  11.283  -2.269
  228   2HB   GLN  35          2HB       GLN  35  -8.518  10.471  -2.688
  229   1HG   GLN  35          2HG       GLN  35  -9.336  10.672  -0.424
  230   2HG   GLN  35          1HG       GLN  35  -7.776  11.269   0.140
  231   1HE2  GLN  35          1HE2      GLN  35  -7.436  13.516   0.034
  232   2HE2  GLN  35          2HE2      GLN  35  -8.473  14.602  -0.755
  233    H    THR  36           H        THR  36  -5.059   7.814  -1.410
  234    HA   THR  36           HA       THR  36  -3.338   9.713  -0.002
  235    HB   THR  36           HB       THR  36  -3.235   7.827   1.924
  236    HG1  THR  36           1HG      THR  36  -5.445   7.218   2.316
  237   1HG2  THR  36          1HG2      THR  36  -5.546   9.542   2.397
  238   2HG2  THR  36          2HG2      THR  36  -4.198  10.427   1.681
  239   3HG2  THR  36          3HG2      THR  36  -3.970   9.542   3.189
  240    H    THR  37           H        THR  37  -1.178   8.566   0.553
  241    HA   THR  37           HA       THR  37  -0.775   6.150  -1.183
  242    HB   THR  37           HB       THR  37   1.224   7.151  -2.086
  243    HG1  THR  37           1HG      THR  37   0.730   9.407  -0.457
  244   1HG2  THR  37          1HG2      THR  37  -0.281   9.636  -2.274
  245   2HG2  THR  37          2HG2      THR  37  -1.307   8.224  -2.513
  246   3HG2  THR  37          3HG2      THR  37   0.112   8.463  -3.531
  247    H    THR  38           H        THR  38  -0.039   4.541   0.156
  248    HA   THR  38           HA       THR  38   1.839   5.342   2.364
  249    HB   THR  38           HB       THR  38  -0.395   4.527   3.106
  250    HG1  THR  38           1HG      THR  38   0.915   3.894   4.623
  251   1HG2  THR  38          1HG2      THR  38  -1.015   2.186   2.672
  252   2HG2  THR  38          2HG2      THR  38   0.419   1.990   1.666
  253   3HG2  THR  38          3HG2      THR  38  -0.865   3.090   1.167
  254    H    TRP  39           H        TRP  39   3.831   4.329   2.300
  255    HA   TRP  39           HA       TRP  39   4.658   2.854  -0.008
  256   1HB   TRP  39          1HB       TRP  39   5.918   2.854   2.755
  257   2HB   TRP  39          2HB       TRP  39   6.738   2.596   1.220
  258    HD1  TRP  39           HD       TRP  39   5.420   5.305   3.503
  259    HE1  TRP  39           1HE      TRP  39   6.176   7.610   2.625
  260    HE3  TRP  39           3HE      TRP  39   7.316   3.962  -1.071
  261    HZ2  TRP  39           2HZ      TRP  39   7.420   8.720   0.330
  262    HZ3  TRP  39           3HZ      TRP  39   8.291   5.671  -2.559
  263    HH2  TRP  39           HH       TRP  39   8.343   8.051  -1.873
  264    H    GLN  40           H        GLN  40   3.446   1.836   3.153
  265    HA   GLN  40           HA       GLN  40   2.729  -0.793   2.180
  266   1HB   GLN  40          1HB       GLN  40   5.346  -0.648   2.479
  267   2HB   GLN  40          2HB       GLN  40   4.965  -0.835   4.190
  268   1HG   GLN  40          2HG       GLN  40   3.416  -2.722   2.667
  269   2HG   GLN  40          1HG       GLN  40   5.114  -2.872   2.219
  270   1HE2  GLN  40          1HE2      GLN  40   6.663  -2.896   4.241
  271   2HE2  GLN  40          2HE2      GLN  40   6.125  -3.786   5.583
  272    H    ASP  41           H        ASP  41   2.455  -2.263   4.381
  273    HA   ASP  41           HA       ASP  41   1.142  -2.489   6.334
  274   1HB   ASP  41          1HB       ASP  41   3.310  -1.087   6.903
  275   2HB   ASP  41          2HB       ASP  41   2.154   0.225   7.125
  276    HA   PRO  42           HA       PRO  42  -1.767   0.869   4.691
  277   1HB   PRO  42          1HB       PRO  42  -3.350  -0.675   3.081
  278   2HB   PRO  42          2HB       PRO  42  -1.904   0.165   2.493
  279   1HG   PRO  42          2HG       PRO  42  -2.275  -2.697   3.218
  280   2HG   PRO  42          1HG       PRO  42  -1.326  -1.979   1.910
  281   1HD   PRO  42          1HD       PRO  42  -0.256  -2.906   4.259
  282   2HD   PRO  42          2HD       PRO  42   0.495  -1.653   3.252
  283    H    ARG  43           H        ARG  43  -4.368   0.511   4.754
  284    HA   ARG  43           HA       ARG  43  -6.186   0.011   6.184
  285   1HB   ARG  43          1HB       ARG  43  -5.010  -2.305   5.160
  286   2HB   ARG  43          2HB       ARG  43  -5.188  -2.647   6.879
  287   1HG   ARG  43          2HG       ARG  43  -7.582  -1.886   6.709
  288   2HG   ARG  43          1HG       ARG  43  -7.366  -1.763   4.963
  289   1HD   ARG  43          2HD       ARG  43  -8.070  -3.950   4.978
  290   2HD   ARG  43          1HD       ARG  43  -6.398  -4.293   5.460
  291    HE   ARG  43           HE       ARG  43  -8.039  -3.523   7.729
  292   1HH1  ARG  43          1HH2      ARG  43  -7.213  -6.156   5.609
  293   2HH1  ARG  43          2HH2      ARG  43  -7.610  -7.366   6.778
  294   1HH2  ARG  43          1HH1      ARG  43  -8.546  -5.113   9.231
  295   2HH2  ARG  43          2HH1      ARG  43  -8.359  -6.784   8.814
  296    H    LYS  44           H        LYS  44  -3.622   1.090   7.376
  297    HA   LYS  44           HA       LYS  44  -4.352   0.783  10.175
  298   1HB   LYS  44          1HB       LYS  44  -3.143  -1.369   9.485
  299   2HB   LYS  44          2HB       LYS  44  -1.694  -0.380   9.306
  300   1HG   LYS  44          2HG       LYS  44  -2.143   0.430  11.700
  301   2HG   LYS  44          1HG       LYS  44  -3.300  -0.896  11.816
  302   1HD   LYS  44          1HD       LYS  44  -1.649  -2.528  11.678
  303   2HD   LYS  44          2HD       LYS  44  -0.533  -1.472  10.813
  304   1HE   LYS  44          1HE       LYS  44  -0.319  -0.102  12.938
  305   2HE   LYS  44          2HE       LYS  44  -1.242  -1.371  13.765
  306   1HZ   LYS  44          1HZ       LYS  44   0.973  -2.050  13.980
  307   2HZ   LYS  44          2HZ       LYS  44   1.378  -1.580  12.399
  308   3HZ   LYS  44          3HZ       LYS  44   0.413  -2.954  12.658
  309   1H    ACE  45          1H        ACE  45  10.477  12.038   5.328
  310   2H    ACE  45          2H        ACE  45   9.145  13.088   4.852
  311   3H    ACE  45          3H        ACE  45  10.399  12.672   3.685
  312    HA   PRO  46           HA       PRO  46   8.847  12.499   1.957
  313   1HB   PRO  46          2HB       PRO  46   9.557  11.147  -0.312
  314   2HB   PRO  46          1HB       PRO  46  10.740  11.939   0.750
  315   1HG   PRO  46          2HG       PRO  46   9.991   9.067   0.561
  316   2HG   PRO  46          1HG       PRO  46  11.581   9.806   0.811
  317   1HD   PRO  46          2HD       PRO  46  10.107   8.703   2.816
  318   2HD   PRO  46          1HD       PRO  46  11.272  10.021   3.066
  319    H    LEU  47           H        LEU  47   6.802  10.730   3.014
  320    HA   LEU  47           HA       LEU  47   5.306   9.194   1.240
  321   1HB   LEU  47          2HB       LEU  47   4.997   9.911   3.721
  322   2HB   LEU  47          1HB       LEU  47   4.070  11.256   3.061
  323    HG   LEU  47           HG       LEU  47   2.568   9.409   3.632
  324   1HD1  LEU  47          1HD1      LEU  47   1.371   9.299   1.583
  325   2HD1  LEU  47          2HD1      LEU  47   2.846   9.425   0.625
  326   3HD1  LEU  47          3HD1      LEU  47   2.249  10.826   1.515
  327   1HD2  LEU  47          1HD2      LEU  47   4.374   7.649   3.328
  328   2HD2  LEU  47          2HD2      LEU  47   4.063   7.748   1.594
  329   3HD2  LEU  47          3HD2      LEU  47   2.788   7.219   2.691
  330    HA   PRO  48           HA       PRO  48   4.547  12.355  -1.900
  331   1HB   PRO  48          2HB       PRO  48   3.261  10.699  -3.661
  332   2HB   PRO  48          1HB       PRO  48   5.028  10.752  -3.496
  333   1HG   PRO  48          1HG       PRO  48   3.067   8.819  -2.342
  334   2HG   PRO  48          2HG       PRO  48   4.648   8.511  -3.072
  335   1HD   PRO  48          2HD       PRO  48   4.256   8.554  -0.394
  336   2HD   PRO  48          1HD       PRO  48   5.784   9.054  -1.149
  337    HA   PRO  49           HA       PRO  49   0.328  13.266  -0.903
  338   1HB   PRO  49          1HB       PRO  49  -0.180  15.165  -2.802
  339   2HB   PRO  49          2HB       PRO  49   0.834  15.474  -1.382
  340   1HG   PRO  49          2HG       PRO  49   1.615  14.955  -4.197
  341   2HG   PRO  49          1HG       PRO  49   2.380  15.988  -2.985
  342   1HD   PRO  49          1HD       PRO  49   3.259  13.465  -3.729
  343   2HD   PRO  49          2HD       PRO  49   3.691  14.297  -2.222
  344    H    TYR  50           H        TYR  50  -1.696  13.950  -2.722
  345    HA   TYR  50           HA       TYR  50  -1.762  11.703  -4.697
  346   1HB   TYR  50          2HB       TYR  50  -2.858  11.367  -2.319
  347   2HB   TYR  50          1HB       TYR  50  -4.144  12.372  -2.988
  348    HD1  TYR  50           1HD      TYR  50  -4.483  11.633  -5.703
  349    HD2  TYR  50           2HD      TYR  50  -3.411   9.107  -2.398
  350    HE1  TYR  50           1HE      TYR  50  -5.394   9.669  -6.908
  351    HE2  TYR  50           2HE      TYR  50  -4.322   7.144  -3.605
  352    HH   TYR  50           HH       TYR  50  -6.141   7.489  -6.568
  Start of MODEL   16
    1    H    PHE   5           H        PHE   5  10.462  -7.847  10.753
    2    HA   PHE   5           HA       PHE   5   8.423  -5.789   9.979
    3   1HB   PHE   5          2HB       PHE   5  10.407  -4.516   9.214
    4   2HB   PHE   5          1HB       PHE   5  10.558  -4.965  10.914
    5    HD1  PHE   5           1HD      PHE   5  11.572  -5.927   7.459
    6    HD2  PHE   5           2HD      PHE   5  12.322  -6.370  11.665
    7    HE1  PHE   5           1HE      PHE   5  13.683  -7.126   6.956
    8    HE2  PHE   5           2HE      PHE   5  14.433  -7.571  11.162
    9    HZ   PHE   5           HZ       PHE   5  15.113  -7.949   8.807
   10    H    GLU   6           H        GLU   6  10.359  -8.472   8.872
   11    HA   GLU   6           HA       GLU   6  10.473  -8.041   6.087
   12   1HB   GLU   6          1HB       GLU   6  10.588 -10.515   6.004
   13   2HB   GLU   6          2HB       GLU   6  11.545  -9.883   7.344
   14   1HG   GLU   6          2HG       GLU   6  10.382 -11.388   8.592
   15   2HG   GLU   6          1HG       GLU   6   9.094 -10.183   8.529
   16    H    ILE   7           H        ILE   7   8.863  -7.821   4.586
   17    HA   ILE   7           HA       ILE   7   6.073  -8.514   5.359
   18    HB   ILE   7           HB       ILE   7   7.313  -6.913   3.098
   19   1HG1  ILE   7          2HG1      ILE   7   7.506  -5.895   5.345
   20   2HG1  ILE   7          1HG1      ILE   7   6.381  -4.990   4.334
   21   1HG2  ILE   7          1HG2      ILE   7   5.248  -7.730   2.247
   22   2HG2  ILE   7          2HG2      ILE   7   4.878  -6.117   2.858
   23   3HG2  ILE   7          3HG2      ILE   7   4.441  -7.540   3.805
   24   1HD1  ILE   7          1HD1      ILE   7   5.320  -5.252   6.474
   25   2HD1  ILE   7          2HD1      ILE   7   5.709  -6.973   6.523
   26   3HD1  ILE   7          3HD1      ILE   7   4.515  -6.371   5.373
   27    HA   PRO   8           HA       PRO   8   6.933 -12.124   2.729
   28   1HB   PRO   8          2HB       PRO   8   4.807 -13.598   3.627
   29   2HB   PRO   8          1HB       PRO   8   6.356 -13.507   4.489
   30   1HG   PRO   8          2HG       PRO   8   3.800 -12.063   5.012
   31   2HG   PRO   8          1HG       PRO   8   4.950 -12.764   6.159
   32   1HD   PRO   8          1HD       PRO   8   4.825 -10.099   5.596
   33   2HD   PRO   8          2HD       PRO   8   6.315 -10.921   6.109
   34    H    ASP   9           H        ASP   9   4.834 -13.535   1.618
   35    HA   ASP   9           HA       ASP   9   3.204 -11.419   0.245
   36   1HB   ASP   9          1HB       ASP   9   5.065 -12.292  -1.121
   37   2HB   ASP   9          2HB       ASP   9   4.487 -13.937  -0.862
   38    H    ASP  10           H        ASP  10   1.774 -12.280   2.214
   39    HA   ASP  10           HA       ASP  10   0.448 -14.861   1.600
   40   1HB   ASP  10          1HB       ASP  10   0.819 -13.034   3.872
   41   2HB   ASP  10          2HB       ASP  10  -0.815 -13.687   3.766
   42    H    VAL  11           H        VAL  11  -1.204 -11.984   2.846
   43    HA   VAL  11           HA       VAL  11  -3.200 -12.268   0.666
   44    HB   VAL  11           HB       VAL  11  -4.573 -10.946   2.259
   45   1HG1  VAL  11          1HG2      VAL  11  -5.084 -13.011   2.991
   46   2HG1  VAL  11          2HG2      VAL  11  -3.853 -12.803   4.237
   47   3HG1  VAL  11          3HG2      VAL  11  -3.436 -13.568   2.703
   48   1HG2  VAL  11          1HG1      VAL  11  -3.748 -10.164   4.314
   49   2HG2  VAL  11          2HG1      VAL  11  -2.447  -9.785   3.185
   50   3HG2  VAL  11          3HG1      VAL  11  -2.322 -11.198   4.233
   51    HA   PRO  12           HA       PRO  12  -1.786  -8.448  -1.053
   52   1HB   PRO  12          1HB       PRO  12  -3.930  -7.892  -2.657
   53   2HB   PRO  12          2HB       PRO  12  -2.766  -9.174  -3.020
   54   1HG   PRO  12          1HG       PRO  12  -5.513  -9.344  -1.944
   55   2HG   PRO  12          2HG       PRO  12  -4.626 -10.481  -2.963
   56   1HD   PRO  12          2HD       PRO  12  -5.047 -10.707  -0.204
   57   2HD   PRO  12          1HD       PRO  12  -3.879 -11.639  -1.161
   58    H    LEU  13           H        LEU  13  -3.513  -6.295  -1.768
   59    HA   LEU  13           HA       LEU  13  -4.180  -5.241   0.925
   60   1HB   LEU  13          2HB       LEU  13  -3.766  -4.106  -1.848
   61   2HB   LEU  13          1HB       LEU  13  -4.415  -3.115  -0.541
   62    HG   LEU  13           HG       LEU  13  -2.348  -4.039   0.802
   63   1HD1  LEU  13          1HD2      LEU  13  -0.580  -3.991  -1.377
   64   2HD1  LEU  13          2HD2      LEU  13  -1.901  -5.043  -1.888
   65   3HD1  LEU  13          3HD2      LEU  13  -1.013  -5.398  -0.406
   66   1HD2  LEU  13          1HD1      LEU  13  -0.949  -2.161  -0.200
   67   2HD2  LEU  13          2HD1      LEU  13  -2.563  -1.695   0.341
   68   3HD2  LEU  13          3HD1      LEU  13  -2.244  -1.940  -1.377
   69    HA   PRO  14           HA       PRO  14  -8.526  -5.487   0.307
   70   1HB   PRO  14          2HB       PRO  14  -9.440  -3.110   1.315
   71   2HB   PRO  14          1HB       PRO  14  -8.832  -4.427   2.335
   72   1HG   PRO  14          1HG       PRO  14  -7.483  -1.923   1.459
   73   2HG   PRO  14          2HG       PRO  14  -7.403  -2.761   3.014
   74   1HD   PRO  14          2HD       PRO  14  -5.455  -2.906   1.095
   75   2HD   PRO  14          1HD       PRO  14  -5.748  -4.174   2.304
   76    H    ALA  15           H        ALA  15 -10.290  -4.697  -1.042
   77    HA   ALA  15           HA       ALA  15  -9.634  -3.725  -3.581
   78   1HB   ALA  15          1HB       ALA  15 -11.738  -4.782  -3.118
   79   2HB   ALA  15          2HB       ALA  15 -12.118  -3.138  -3.625
   80   3HB   ALA  15          3HB       ALA  15 -12.156  -3.564  -1.915
   81    H    GLY  16           H        GLY  16 -10.156  -1.604  -4.580
   82   1HA   GLY  16          1HA       GLY  16 -10.262   0.754  -4.615
   83   2HA   GLY  16          2HA       GLY  16 -10.496   0.732  -2.868
   84    H    TRP  17           H        TRP  17  -7.798  -1.124  -3.842
   85    HA   TRP  17           HA       TRP  17  -5.977   1.139  -3.091
   86   1HB   TRP  17          2HB       TRP  17  -6.227  -1.731  -2.358
   87   2HB   TRP  17          1HB       TRP  17  -4.588  -1.098  -2.507
   88    HD1  TRP  17           HD       TRP  17  -7.720  -0.847  -0.398
   89    HE1  TRP  17           1HE      TRP  17  -7.211   0.579   1.695
   90    HE3  TRP  17           3HE      TRP  17  -3.093   0.874  -1.634
   91    HZ2  TRP  17           2HZ      TRP  17  -5.093   2.237   2.704
   92    HZ3  TRP  17           3HZ      TRP  17  -1.856   2.369  -0.109
   93    HH2  TRP  17           HH       TRP  17  -2.834   3.051   2.053
   94    H    GLU  18           H        GLU  18  -4.022   1.352  -4.288
   95    HA   GLU  18           HA       GLU  18  -3.741  -0.455  -6.668
   96   1HB   GLU  18          1HB       GLU  18  -4.275   2.413  -6.478
   97   2HB   GLU  18          2HB       GLU  18  -2.845   2.067  -7.444
   98   1HG   GLU  18          2HG       GLU  18  -4.607   1.955  -9.007
   99   2HG   GLU  18          1HG       GLU  18  -4.305   0.267  -8.596
  100    H    MET  19           H        MET  19  -1.937  -1.530  -5.506
  101    HA   MET  19           HA       MET  19   0.294  -0.084  -4.432
  102   1HB   MET  19          1HB       MET  19   1.448  -2.273  -4.746
  103   2HB   MET  19          2HB       MET  19  -0.094  -2.444  -3.932
  104   1HG   MET  19          1HG       MET  19  -0.881  -2.713  -6.527
  105   2HG   MET  19          2HG       MET  19   0.756  -3.351  -6.632
  106   1HE   MET  19          1HE       MET  19  -2.636  -4.795  -3.923
  107   2HE   MET  19          2HE       MET  19  -2.430  -3.224  -4.692
  108   3HE   MET  19          3HE       MET  19  -1.481  -3.628  -3.264
  109    H    ALA  20           H        ALA  20   1.736   1.099  -5.559
  110    HA   ALA  20           HA       ALA  20   2.576   0.246  -8.259
  111   1HB   ALA  20          1HB       ALA  20   1.981   2.730  -8.953
  112   2HB   ALA  20          2HB       ALA  20   0.897   2.645  -7.564
  113   3HB   ALA  20          3HB       ALA  20   0.711   1.514  -8.895
  114    H    LYS  21           H        LYS  21   3.365   3.501  -8.008
  115    HA   LYS  21           HA       LYS  21   5.527   3.134  -6.046
  116   1HB   LYS  21          2HB       LYS  21   5.801   2.821  -8.959
  117   2HB   LYS  21          1HB       LYS  21   6.989   3.911  -8.248
  118   1HG   LYS  21          2HG       LYS  21   7.507   2.133  -6.551
  119   2HG   LYS  21          1HG       LYS  21   6.437   1.044  -7.432
  120   1HD   LYS  21          2HD       LYS  21   8.583   2.475  -8.954
  121   2HD   LYS  21          1HD       LYS  21   9.043   1.101  -7.949
  122   1HE   LYS  21          1HE       LYS  21   6.843   0.082  -9.216
  123   2HE   LYS  21          2HE       LYS  21   7.498   1.147 -10.476
  124   1HZ   LYS  21          1HZ       LYS  21   8.890  -1.020  -8.999
  125   2HZ   LYS  21          2HZ       LYS  21   9.737   0.179  -9.854
  126   3HZ   LYS  21          3HZ       LYS  21   8.681  -0.870 -10.675
  127    H    THR  22           H        THR  22   6.814   5.063  -5.705
  128    HA   THR  22           HA       THR  22   5.681   7.585  -6.845
  129    HB   THR  22           HB       THR  22   4.469   7.112  -4.778
  130    HG1  THR  22           1HG      THR  22   4.899   9.243  -4.988
  131   1HG2  THR  22          1HG2      THR  22   5.524   6.613  -2.714
  132   2HG2  THR  22          2HG2      THR  22   7.096   7.148  -3.306
  133   3HG2  THR  22          3HG2      THR  22   6.400   5.640  -3.895
  134    H    SER  23           H        SER  23   7.079   9.363  -5.302
  135    HA   SER  23           HA       SER  23   9.190  10.439  -5.309
  136   1HB   SER  23          1HB       SER  23   9.475   7.699  -4.117
  137   2HB   SER  23          2HB       SER  23  10.905   8.723  -4.262
  138    HG   SER  23           HG       SER  23   8.464   9.511  -3.055
  139    H    SER  24           H        SER  24  10.794   7.360  -5.899
  140    HA   SER  24           HA       SER  24  11.108   7.878  -8.779
  141   1HB   SER  24          1HB       SER  24  12.810   9.069  -6.909
  142   2HB   SER  24          2HB       SER  24  13.717   7.678  -7.500
  143    HG   SER  24           HG       SER  24  13.852   8.555  -9.410
  144    H    GLY  25           H        GLY  25  12.223   6.062  -5.953
  145   1HA   GLY  25          2HA       GLY  25  12.004   3.564  -7.545
  146   2HA   GLY  25          1HA       GLY  25  13.528   3.890  -6.717
  147    H    GLN  26           H        GLN  26  10.019   3.629  -6.082
  148    HA   GLN  26           HA       GLN  26  10.473   1.916  -3.770
  149   1HB   GLN  26          1HB       GLN  26  10.906   4.574  -3.335
  150   2HB   GLN  26          2HB       GLN  26   9.185   4.465  -2.968
  151   1HG   GLN  26          1HG       GLN  26   9.600   3.413  -1.017
  152   2HG   GLN  26          2HG       GLN  26  10.630   2.225  -1.816
  153   1HE2  GLN  26          1HE2      GLN  26  12.688   3.910  -2.804
  154   2HE2  GLN  26          2HE2      GLN  26  13.508   4.612  -1.494
  155    H    ARG  27           H        ARG  27   8.678   0.612  -3.746
  156    HA   ARG  27           HA       ARG  27   6.328   1.205  -5.315
  157   1HB   ARG  27          1HB       ARG  27   7.368  -0.959  -3.621
  158   2HB   ARG  27          2HB       ARG  27   5.621  -0.780  -3.508
  159   1HG   ARG  27          1HG       ARG  27   6.098  -0.497  -6.221
  160   2HG   ARG  27          2HG       ARG  27   7.239  -1.755  -5.741
  161   1HD   ARG  27          2HD       ARG  27   4.860  -2.392  -4.384
  162   2HD   ARG  27          1HD       ARG  27   4.355  -1.936  -6.021
  163    HE   ARG  27           HE       ARG  27   6.623  -3.509  -6.400
  164   1HH1  ARG  27          1HH2      ARG  27   3.551  -3.902  -4.811
  165   2HH1  ARG  27          2HH2      ARG  27   3.505  -5.608  -5.081
  166   1HH2  ARG  27          1HH1      ARG  27   6.541  -5.726  -6.739
  167   2HH2  ARG  27          2HH1      ARG  27   5.184  -6.637  -6.165
  168    H    TYR  28           H        TYR  28   4.481   2.179  -4.726
  169    HA   TYR  28           HA       TYR  28   3.998   2.594  -1.814
  170   1HB   TYR  28          1HB       TYR  28   3.603   4.868  -2.060
  171   2HB   TYR  28          2HB       TYR  28   4.873   4.628  -3.240
  172    HD1  TYR  28           1HD      TYR  28   3.119   3.270  -5.389
  173    HD2  TYR  28           2HD      TYR  28   2.558   6.792  -3.011
  174    HE1  TYR  28           1HE      TYR  28   1.759   4.258  -7.186
  175    HE2  TYR  28           2HE      TYR  28   1.170   7.767  -4.805
  176    HH   TYR  28           HH       TYR  28   1.169   7.296  -7.564
  177    H    PHE  29           H        PHE  29   1.666   3.153  -1.456
  178    HA   PHE  29           HA       PHE  29   0.030   1.523  -3.342
  179   1HB   PHE  29          2HB       PHE  29   0.070   1.674  -0.310
  180   2HB   PHE  29          1HB       PHE  29  -1.110   0.744  -1.244
  181    HD1  PHE  29           1HD      PHE  29  -0.550  -1.366  -2.151
  182    HD2  PHE  29           2HD      PHE  29   2.586   1.187  -0.711
  183    HE1  PHE  29           1HE      PHE  29   1.095  -3.177  -2.535
  184    HE2  PHE  29           2HE      PHE  29   4.229  -0.630  -1.092
  185    HZ   PHE  29           HZ       PHE  29   3.484  -2.811  -2.005
  186    H    LEU  30           H        LEU  30  -1.105   2.918  -4.417
  187    HA   LEU  30           HA       LEU  30  -2.023   5.476  -3.386
  188   1HB   LEU  30          1HB       LEU  30  -1.362   4.341  -5.782
  189   2HB   LEU  30          2HB       LEU  30  -3.107   4.255  -5.871
  190    HG   LEU  30           HG       LEU  30  -3.327   6.632  -5.670
  191   1HD1  LEU  30          1HD2      LEU  30  -0.735   6.427  -4.402
  192   2HD1  LEU  30          2HD2      LEU  30  -1.875   7.773  -4.396
  193   3HD1  LEU  30          3HD2      LEU  30  -0.693   7.626  -5.693
  194   1HD2  LEU  30          1HD1      LEU  30  -1.528   7.311  -7.498
  195   2HD2  LEU  30          2HD1      LEU  30  -2.857   6.224  -7.902
  196   3HD2  LEU  30          3HD1      LEU  30  -1.258   5.570  -7.545
  197    H    ASN  31           H        ASN  31  -3.598   5.372  -1.844
  198    HA   ASN  31           HA       ASN  31  -5.709   3.338  -1.881
  199   1HB   ASN  31          1HB       ASN  31  -4.623   4.182   0.179
  200   2HB   ASN  31          2HB       ASN  31  -5.214   5.804  -0.178
  201   1HD2  ASN  31          1HD2      ASN  31  -5.856   4.019   2.146
  202   2HD2  ASN  31          2HD2      ASN  31  -7.536   3.834   2.123
  203    H    HIS  32           H        HIS  32  -7.258   3.651  -3.458
  204    HA   HIS  32           HA       HIS  32  -8.104   6.339  -4.288
  205   1HB   HIS  32          1HB       HIS  32  -8.373   3.529  -5.117
  206   2HB   HIS  32          2HB       HIS  32  -9.826   4.487  -5.400
  207    HD1  HIS  32           1HD      HIS  32  -9.699   6.366  -7.153
  208    HD2  HIS  32           2HD      HIS  32  -6.060   4.414  -6.576
  209    HE1  HIS  32           1HE      HIS  32  -8.168   7.140  -9.016
  210    H    ILE  33           H        ILE  33  -8.866   4.441  -1.634
  211    HA   ILE  33           HA       ILE  33 -11.769   5.052  -1.605
  212    HB   ILE  33           HB       ILE  33 -10.382   4.044   0.839
  213   1HG1  ILE  33          2HG1      ILE  33 -10.468   2.452  -1.743
  214   2HG1  ILE  33          1HG1      ILE  33  -9.065   2.786  -0.731
  215   1HG2  ILE  33          1HG2      ILE  33 -12.362   2.744   1.050
  216   2HG2  ILE  33          2HG2      ILE  33 -12.737   2.894  -0.665
  217   3HG2  ILE  33          3HG2      ILE  33 -12.894   4.293   0.397
  218   1HD1  ILE  33          1HD1      ILE  33 -11.070   0.668  -0.473
  219   2HD1  ILE  33          2HD1      ILE  33 -10.811   1.552   1.031
  220   3HD1  ILE  33          3HD1      ILE  33  -9.452   0.775   0.219
  221    H    ASP  34           H        ASP  34  -9.029   5.583   0.592
  222    HA   ASP  34           HA       ASP  34 -10.346   8.029   1.660
  223   1HB   ASP  34          1HB       ASP  34  -8.876   5.943   2.739
  224   2HB   ASP  34          2HB       ASP  34  -7.696   7.251   2.666
  225    H    GLN  35           H        GLN  35  -8.669   7.529  -1.044
  226    HA   GLN  35           HA       GLN  35  -7.151   8.784  -2.344
  227   1HB   GLN  35          2HB       GLN  35  -8.245  10.951  -0.523
  228   2HB   GLN  35          1HB       GLN  35  -7.555  11.190  -2.129
  229   1HG   GLN  35          1HG       GLN  35  -9.520  10.690  -3.111
  230   2HG   GLN  35          2HG       GLN  35  -9.639   9.178  -2.212
  231   1HE2  GLN  35          1HE2      GLN  35 -11.807  11.193  -2.767
  232   2HE2  GLN  35          2HE2      GLN  35 -12.389  11.661  -1.243
  233    H    THR  36           H        THR  36  -5.385   7.584  -1.046
  234    HA   THR  36           HA       THR  36  -3.540   9.615   0.079
  235    HB   THR  36           HB       THR  36  -3.283   7.955   2.101
  236    HG1  THR  36           1HG      THR  36  -4.793   6.513   2.273
  237   1HG2  THR  36          1HG2      THR  36  -4.432  10.351   1.855
  238   2HG2  THR  36          2HG2      THR  36  -4.559   9.417   3.346
  239   3HG2  THR  36          3HG2      THR  36  -5.887   9.411   2.187
  240    H    THR  37           H        THR  37  -1.390   8.416   0.714
  241    HA   THR  37           HA       THR  37  -0.973   6.009  -1.012
  242    HB   THR  37           HB       THR  37   0.967   7.027  -2.013
  243    HG1  THR  37           1HG      THR  37   0.493   9.347  -0.479
  244   1HG2  THR  37          1HG2      THR  37  -0.131   8.434  -3.419
  245   2HG2  THR  37          2HG2      THR  37  -0.755   9.427  -2.103
  246   3HG2  THR  37          3HG2      THR  37  -1.548   7.906  -2.511
  247    H    THR  38           H        THR  38   0.074   4.451   0.143
  248    HA   THR  38           HA       THR  38   1.867   5.352   2.385
  249    HB   THR  38           HB       THR  38  -0.311   4.372   3.132
  250    HG1  THR  38           1HG      THR  38   1.224   3.972   4.575
  251   1HG2  THR  38          1HG2      THR  38  -0.487   2.864   1.103
  252   2HG2  THR  38          2HG2      THR  38  -0.885   2.103   2.640
  253   3HG2  THR  38          3HG2      THR  38   0.681   1.803   1.884
  254    H    TRP  39           H        TRP  39   3.663   3.779   2.803
  255    HA   TRP  39           HA       TRP  39   4.611   2.619   0.239
  256   1HB   TRP  39          1HB       TRP  39   6.080   2.680   2.885
  257   2HB   TRP  39          2HB       TRP  39   6.763   2.667   1.263
  258    HD1  TRP  39           HD       TRP  39   5.036   4.974   3.774
  259    HE1  TRP  39           1HE      TRP  39   5.513   7.422   3.118
  260    HE3  TRP  39           3HE      TRP  39   7.369   4.271  -0.733
  261    HZ2  TRP  39           2HZ      TRP  39   6.720   8.879   0.999
  262    HZ3  TRP  39           3HZ      TRP  39   8.180   6.209  -2.029
  263    HH2  TRP  39           HH       TRP  39   7.853   8.515  -1.179
  264    H    GLN  40           H        GLN  40   4.040   1.593   3.615
  265    HA   GLN  40           HA       GLN  40   4.500  -1.239   2.898
  266   1HB   GLN  40          2HB       GLN  40   5.338  -0.289   5.005
  267   2HB   GLN  40          1HB       GLN  40   3.701   0.182   5.460
  268   1HG   GLN  40          2HG       GLN  40   3.126  -2.334   5.155
  269   2HG   GLN  40          1HG       GLN  40   4.869  -2.590   5.239
  270   1HE2  GLN  40          1HE2      GLN  40   4.937  -3.552   7.347
  271   2HE2  GLN  40          2HE2      GLN  40   4.487  -2.719   8.755
  272    H    ASP  41           H        ASP  41   2.833  -2.844   3.046
  273    HA   ASP  41           HA       ASP  41   0.194  -1.996   2.215
  274   1HB   ASP  41          2HB       ASP  41   1.245  -4.658   3.234
  275   2HB   ASP  41          1HB       ASP  41  -0.240  -4.426   2.314
  276    HA   PRO  42           HA       PRO  42  -1.579  -1.420   6.224
  277   1HB   PRO  42          1HB       PRO  42  -4.222  -1.729   5.583
  278   2HB   PRO  42          2HB       PRO  42  -3.292  -0.275   5.177
  279   1HG   PRO  42          2HG       PRO  42  -4.041  -2.592   3.461
  280   2HG   PRO  42          1HG       PRO  42  -3.986  -0.870   3.064
  281   1HD   PRO  42          1HD       PRO  42  -2.044  -2.654   2.349
  282   2HD   PRO  42          2HD       PRO  42  -1.742  -0.923   2.605
  283    H    ARG  43           H        ARG  43  -3.733  -2.680   7.347
  284    HA   ARG  43           HA       ARG  43  -4.318  -4.688   8.449
  285   1HB   ARG  43          1HB       ARG  43  -4.402  -4.972   5.638
  286   2HB   ARG  43          2HB       ARG  43  -3.674  -6.455   6.251
  287   1HG   ARG  43          1HG       ARG  43  -5.702  -6.107   8.042
  288   2HG   ARG  43          2HG       ARG  43  -6.427  -5.424   6.586
  289   1HD   ARG  43          1HD       ARG  43  -5.802  -7.520   5.350
  290   2HD   ARG  43          2HD       ARG  43  -5.236  -8.204   6.886
  291    HE   ARG  43           HE       ARG  43  -7.497  -8.418   7.559
  292   1HH1  ARG  43          1HH2      ARG  43  -7.204  -6.251   4.850
  293   2HH1  ARG  43          2HH2      ARG  43  -8.914  -6.096   4.648
  294   1HH2  ARG  43          1HH1      ARG  43  -9.714  -8.200   7.276
  295   2HH2  ARG  43          2HH1      ARG  43 -10.326  -7.191   6.009
  296    H    LYS  44           H        LYS  44  -1.364  -3.807   8.252
  297    HA   LYS  44           HA       LYS  44  -0.166  -6.477   8.923
  298   1HB   LYS  44          1HB       LYS  44   0.564  -5.298   6.784
  299   2HB   LYS  44          2HB       LYS  44   1.245  -4.037   7.811
  300   1HG   LYS  44          1HG       LYS  44   3.015  -5.604   7.300
  301   2HG   LYS  44          2HG       LYS  44   2.571  -5.830   8.991
  302   1HD   LYS  44          1HD       LYS  44   0.845  -7.513   7.545
  303   2HD   LYS  44          2HD       LYS  44   2.428  -7.722   6.797
  304   1HE   LYS  44          2HE       LYS  44   2.051  -7.804   9.803
  305   2HE   LYS  44          1HE       LYS  44   1.945  -9.257   8.791
  306   1HZ   LYS  44          1HZ       LYS  44   4.219  -7.335   8.827
  307   2HZ   LYS  44          2HZ       LYS  44   4.117  -8.737   7.872
  308   3HZ   LYS  44          3HZ       LYS  44   4.225  -8.863   9.563
  309   1H    ACE  45          1H        ACE  45   6.772  16.256   0.083
  310   2H    ACE  45          2H        ACE  45   8.354  15.724   0.652
  311   3H    ACE  45          3H        ACE  45   7.534  17.063   1.455
  312    HA   PRO  46           HA       PRO  46   8.214  13.047   0.778
  313   1HB   PRO  46          2HB       PRO  46   8.112  11.021   2.611
  314   2HB   PRO  46          1HB       PRO  46   9.503  12.114   2.456
  315   1HG   PRO  46          2HG       PRO  46   7.293  12.134   4.442
  316   2HG   PRO  46          1HG       PRO  46   9.011  12.496   4.659
  317   1HD   PRO  46          2HD       PRO  46   7.068  14.406   4.460
  318   2HD   PRO  46          1HD       PRO  46   8.768  14.671   4.018
  319    H    LEU  47           H        LEU  47   7.109  10.729   0.495
  320    HA   LEU  47           HA       LEU  47   5.159   9.512  -0.012
  321   1HB   LEU  47          2HB       LEU  47   4.970   9.894   2.516
  322   2HB   LEU  47          1HB       LEU  47   3.860  11.210   2.132
  323    HG   LEU  47           HG       LEU  47   3.301   8.656   0.747
  324   1HD1  LEU  47          1HD1      LEU  47   3.463   7.384   2.614
  325   2HD1  LEU  47          2HD1      LEU  47   2.031   8.251   3.173
  326   3HD1  LEU  47          3HD1      LEU  47   3.637   8.796   3.656
  327   1HD2  LEU  47          1HD2      LEU  47   1.723  10.768   2.234
  328   2HD2  LEU  47          2HD2      LEU  47   0.978   9.312   1.573
  329   3HD2  LEU  47          3HD2      LEU  47   1.758  10.471   0.496
  330    HA   PRO  48           HA       PRO  48   3.296  12.445  -2.808
  331   1HB   PRO  48          2HB       PRO  48   1.709  10.679  -4.170
  332   2HB   PRO  48          1HB       PRO  48   3.454  10.829  -4.450
  333   1HG   PRO  48          2HG       PRO  48   1.949   8.806  -2.861
  334   2HG   PRO  48          1HG       PRO  48   3.356   8.594  -3.913
  335   1HD   PRO  48          2HD       PRO  48   3.505   8.696  -1.189
  336   2HD   PRO  48          1HD       PRO  48   4.833   9.182  -2.263
  337    HA   PRO  49           HA       PRO  49  -0.424  13.020  -0.364
  338   1HB   PRO  49          1HB       PRO  49  -1.183  15.405  -1.472
  339   2HB   PRO  49          2HB       PRO  49   0.104  15.268  -0.259
  340   1HG   PRO  49          1HG       PRO  49   0.302  15.552  -3.218
  341   2HG   PRO  49          2HG       PRO  49   1.300  16.275  -1.947
  342   1HD   PRO  49          2HD       PRO  49   2.060  14.106  -3.429
  343   2HD   PRO  49          1HD       PRO  49   2.643  14.428  -1.782
  344    H    TYR  50           H        TYR  50  -2.514  12.329  -0.786
  345    HA   TYR  50           HA       TYR  50  -3.483  12.415  -3.618
  346   1HB   TYR  50          2HB       TYR  50  -2.449  10.199  -2.666
  347   2HB   TYR  50          1HB       TYR  50  -3.976  10.072  -1.793
  348    HD1  TYR  50           1HD      TYR  50  -3.164  11.357  -5.220
  349    HD2  TYR  50           2HD      TYR  50  -5.300   8.469  -2.866
  350    HE1  TYR  50           1HE      TYR  50  -4.269  10.503  -7.268
  351    HE2  TYR  50           2HE      TYR  50  -6.403   7.615  -4.914
  352    HH   TYR  50           HH       TYR  50  -5.376   8.018  -7.859
  Start of MODEL   17
    1    H    PHE   5           H        PHE   5   4.497 -20.463  10.643
    2    HA   PHE   5           HA       PHE   5   3.712 -17.966   9.223
    3   1HB   PHE   5          2HB       PHE   5   2.397 -20.684   9.555
    4   2HB   PHE   5          1HB       PHE   5   1.802 -19.392   8.510
    5    HD1  PHE   5           1HD      PHE   5   2.973 -18.782   6.458
    6    HD2  PHE   5           2HD      PHE   5   4.458 -21.896   9.017
    7    HE1  PHE   5           1HE      PHE   5   4.505 -19.530   4.658
    8    HE2  PHE   5           2HE      PHE   5   5.992 -22.645   7.216
    9    HZ   PHE   5           HZ       PHE   5   6.014 -21.461   5.036
   10    H    GLU   6           H        GLU   6   2.480 -16.461  10.281
   11    HA   GLU   6           HA       GLU   6   1.287 -17.181  12.914
   12   1HB   GLU   6          1HB       GLU   6   2.851 -15.231  12.580
   13   2HB   GLU   6          2HB       GLU   6   1.627 -14.495  11.545
   14   1HG   GLU   6          2HG       GLU   6   0.904 -13.554  13.493
   15   2HG   GLU   6          1HG       GLU   6   0.129 -15.119  13.736
   16    H    ILE   7           H        ILE   7   0.356 -15.320   9.987
   17    HA   ILE   7           HA       ILE   7  -2.465 -16.239  10.436
   18    HB   ILE   7           HB       ILE   7  -3.116 -13.954   9.665
   19   1HG1  ILE   7          1HG1      ILE   7  -0.127 -13.439   9.812
   20   2HG1  ILE   7          2HG1      ILE   7  -1.073 -13.517   8.326
   21   1HG2  ILE   7          1HG2      ILE   7  -1.332 -13.144  11.804
   22   2HG2  ILE   7          2HG2      ILE   7  -2.038 -14.722  12.148
   23   3HG2  ILE   7          3HG2      ILE   7  -3.085 -13.338  11.833
   24   1HD1  ILE   7          1HD1      ILE   7  -0.620 -11.175   9.325
   25   2HD1  ILE   7          2HD1      ILE   7  -1.803 -11.617  10.557
   26   3HD1  ILE   7          3HD1      ILE   7  -2.279 -11.549   8.860
   27    HA   PRO   8           HA       PRO   8  -2.383 -17.419   6.198
   28   1HB   PRO   8          2HB       PRO   8  -4.957 -16.915   5.415
   29   2HB   PRO   8          1HB       PRO   8  -4.516 -18.270   6.471
   30   1HG   PRO   8          2HG       PRO   8  -5.685 -15.619   7.167
   31   2HG   PRO   8          1HG       PRO   8  -6.036 -17.217   7.842
   32   1HD   PRO   8          1HD       PRO   8  -4.448 -15.365   9.073
   33   2HD   PRO   8          2HD       PRO   8  -4.280 -17.117   9.310
   34    H    ASP   9           H        ASP   9  -3.802 -14.241   6.903
   35    HA   ASP   9           HA       ASP   9  -3.829 -12.238   5.650
   36   1HB   ASP   9          2HB       ASP   9  -1.478 -12.634   6.377
   37   2HB   ASP   9          1HB       ASP   9  -1.167 -13.432   4.835
   38    H    ASP  10           H        ASP  10  -5.562 -13.314   4.213
   39    HA   ASP  10           HA       ASP  10  -5.049 -14.592   1.755
   40   1HB   ASP  10          2HB       ASP  10  -7.205 -13.600   3.168
   41   2HB   ASP  10          1HB       ASP  10  -7.195 -12.579   1.728
   42    H    VAL  11           H        VAL  11  -5.615 -11.077   2.229
   43    HA   VAL  11           HA       VAL  11  -3.802 -10.574  -0.104
   44    HB   VAL  11           HB       VAL  11  -6.137 -10.452  -0.816
   45   1HG1  VAL  11          1HG2      VAL  11  -6.442  -9.296   1.823
   46   2HG1  VAL  11          2HG2      VAL  11  -7.684  -9.912   0.730
   47   3HG1  VAL  11          3HG2      VAL  11  -7.149  -8.237   0.601
   48   1HG2  VAL  11          1HG1      VAL  11  -6.231  -7.982  -1.412
   49   2HG2  VAL  11          2HG1      VAL  11  -4.734  -8.803  -1.854
   50   3HG2  VAL  11          3HG1      VAL  11  -4.784  -7.771  -0.425
   51    HA   PRO  12           HA       PRO  12  -1.996  -7.693   2.725
   52   1HB   PRO  12          2HB       PRO  12  -0.651  -6.114   0.938
   53   2HB   PRO  12          1HB       PRO  12  -0.108  -7.741   1.393
   54   1HG   PRO  12          2HG       PRO  12  -1.574  -6.837  -1.039
   55   2HG   PRO  12          1HG       PRO  12  -0.280  -8.033  -0.884
   56   1HD   PRO  12          2HD       PRO  12  -2.921  -8.683  -1.138
   57   2HD   PRO  12          1HD       PRO  12  -1.732  -9.711  -0.311
   58    H    LEU  13           H        LEU  13  -3.313  -6.217  -0.271
   59    HA   LEU  13           HA       LEU  13  -4.374  -3.974   1.411
   60   1HB   LEU  13          1HB       LEU  13  -3.761  -4.127  -1.560
   61   2HB   LEU  13          2HB       LEU  13  -4.230  -2.677  -0.674
   62    HG   LEU  13           HG       LEU  13  -2.074  -3.713   0.779
   63   1HD1  LEU  13          1HD1      LEU  13  -0.571  -3.487  -1.570
   64   2HD1  LEU  13          2HD1      LEU  13  -1.916  -4.537  -2.010
   65   3HD1  LEU  13          3HD1      LEU  13  -0.868  -4.967  -0.659
   66   1HD2  LEU  13          1HD2      LEU  13  -2.121  -1.542  -1.339
   67   2HD2  LEU  13          2HD2      LEU  13  -0.902  -1.710  -0.076
   68   3HD2  LEU  13          3HD2      LEU  13  -2.571  -1.336   0.353
   69    HA   PRO  14           HA       PRO  14  -8.378  -5.587   0.374
   70   1HB   PRO  14          2HB       PRO  14  -9.885  -3.423   1.105
   71   2HB   PRO  14          1HB       PRO  14  -9.167  -4.542   2.278
   72   1HG   PRO  14          1HG       PRO  14  -8.254  -1.842   1.421
   73   2HG   PRO  14          2HG       PRO  14  -8.216  -2.590   3.022
   74   1HD   PRO  14          2HD       PRO  14  -6.037  -2.386   1.373
   75   2HD   PRO  14          1HD       PRO  14  -6.223  -3.635   2.620
   76    H    ALA  15           H        ALA  15 -10.513  -4.067  -0.614
   77    HA   ALA  15           HA       ALA  15  -9.751  -3.716  -3.395
   78   1HB   ALA  15          1HB       ALA  15 -11.912  -4.585  -2.871
   79   2HB   ALA  15          2HB       ALA  15 -12.207  -2.953  -3.473
   80   3HB   ALA  15          3HB       ALA  15 -12.244  -3.273  -1.740
   81    H    GLY  16           H        GLY  16 -10.475  -1.622  -4.556
   82   1HA   GLY  16          1HA       GLY  16 -10.245   0.694  -4.865
   83   2HA   GLY  16          2HA       GLY  16 -10.592   0.870  -3.146
   84    H    TRP  17           H        TRP  17  -7.949  -1.214  -3.785
   85    HA   TRP  17           HA       TRP  17  -6.056   0.973  -3.005
   86   1HB   TRP  17          1HB       TRP  17  -6.484  -1.882  -2.312
   87   2HB   TRP  17          2HB       TRP  17  -4.802  -1.362  -2.423
   88    HD1  TRP  17           HD       TRP  17  -7.923  -0.983  -0.338
   89    HE1  TRP  17           1HE      TRP  17  -7.373   0.412   1.767
   90    HE3  TRP  17           3HE      TRP  17  -3.240   0.595  -1.551
   91    HZ2  TRP  17           2HZ      TRP  17  -5.205   1.995   2.790
   92    HZ3  TRP  17           3HZ      TRP  17  -1.960   2.040  -0.013
   93    HH2  TRP  17           HH       TRP  17  -2.920   2.743   2.150
   94    H    GLU  18           H        GLU  18  -4.067   1.146  -4.164
   95    HA   GLU  18           HA       GLU  18  -3.716  -0.707  -6.494
   96   1HB   GLU  18          1HB       GLU  18  -4.793   1.804  -6.696
   97   2HB   GLU  18          2HB       GLU  18  -3.087   2.144  -6.936
   98   1HG   GLU  18          1HG       GLU  18  -4.717   0.104  -8.478
   99   2HG   GLU  18          2HG       GLU  18  -4.168   1.664  -9.089
  100    H    MET  19           H        MET  19  -1.759  -1.652  -5.566
  101    HA   MET  19           HA       MET  19   0.338  -0.079  -4.407
  102   1HB   MET  19          1HB       MET  19   1.731  -2.051  -4.998
  103   2HB   MET  19          2HB       MET  19   0.274  -2.501  -4.132
  104   1HG   MET  19          1HG       MET  19  -0.604  -2.596  -6.724
  105   2HG   MET  19          2HG       MET  19   1.083  -3.051  -6.933
  106   1HE   MET  19          1HE       MET  19  -1.066  -3.802  -3.601
  107   2HE   MET  19          2HE       MET  19  -2.049  -5.090  -4.289
  108   3HE   MET  19          3HE       MET  19  -2.094  -3.482  -5.004
  109    H    ALA  20           H        ALA  20   1.378   1.482  -5.480
  110    HA   ALA  20           HA       ALA  20   2.006   1.069  -8.377
  111   1HB   ALA  20          1HB       ALA  20   0.663   3.319  -6.896
  112   2HB   ALA  20          2HB       ALA  20   0.194   2.559  -8.416
  113   3HB   ALA  20          3HB       ALA  20   1.562   3.672  -8.372
  114    H    LYS  21           H        LYS  21   3.557   3.325  -8.799
  115    HA   LYS  21           HA       LYS  21   5.657   3.034  -6.692
  116   1HB   LYS  21          2HB       LYS  21   5.799   2.075  -9.197
  117   2HB   LYS  21          1HB       LYS  21   6.376   3.713  -9.505
  118   1HG   LYS  21          1HG       LYS  21   8.176   3.469  -7.948
  119   2HG   LYS  21          2HG       LYS  21   7.495   1.980  -7.291
  120   1HD   LYS  21          2HD       LYS  21   8.250   0.705  -9.045
  121   2HD   LYS  21          1HD       LYS  21   8.051   2.010 -10.215
  122   1HE   LYS  21          2HE       LYS  21  10.041   3.149  -9.020
  123   2HE   LYS  21          1HE       LYS  21  10.331   1.566  -8.273
  124   1HZ   LYS  21          1HZ       LYS  21   9.923   1.938 -11.192
  125   2HZ   LYS  21          2HZ       LYS  21  10.489   0.550 -10.391
  126   3HZ   LYS  21          3HZ       LYS  21  11.462   1.939 -10.477
  127    H    THR  22           H        THR  22   6.576   4.848  -5.901
  128    HA   THR  22           HA       THR  22   5.855   7.466  -7.181
  129    HB   THR  22           HB       THR  22   4.465   6.967  -5.206
  130    HG1  THR  22           1HG      THR  22   5.566   8.756  -3.838
  131   1HG2  THR  22          1HG2      THR  22   6.007   5.369  -4.129
  132   2HG2  THR  22          2HG2      THR  22   5.576   6.651  -2.998
  133   3HG2  THR  22          3HG2      THR  22   7.143   6.673  -3.805
  134    H    SER  23           H        SER  23   7.261   9.055  -5.378
  135    HA   SER  23           HA       SER  23   9.441   9.983  -5.209
  136   1HB   SER  23          2HB       SER  23  10.862   8.458  -3.872
  137   2HB   SER  23          1HB       SER  23   9.189   8.405  -3.326
  138    HG   SER  23           HG       SER  23  10.252   6.591  -5.216
  139    H    SER  24           H        SER  24  11.900   8.235  -5.455
  140    HA   SER  24           HA       SER  24  12.085   8.333  -8.423
  141   1HB   SER  24          1HB       SER  24  13.708   9.618  -7.139
  142   2HB   SER  24          2HB       SER  24  14.118   8.198  -6.176
  143    HG   SER  24           HG       SER  24  15.289   7.440  -7.758
  144    H    GLY  25           H        GLY  25  12.050   6.112  -5.754
  145   1HA   GLY  25          1HA       GLY  25  11.915   3.824  -7.518
  146   2HA   GLY  25          2HA       GLY  25  13.477   3.906  -6.702
  147    H    GLN  26           H        GLN  26  10.004   3.540  -6.211
  148    HA   GLN  26           HA       GLN  26  10.360   1.828  -3.915
  149   1HB   GLN  26          2HB       GLN  26  10.275   4.736  -3.555
  150   2HB   GLN  26          1HB       GLN  26   9.041   3.904  -2.611
  151   1HG   GLN  26          2HG       GLN  26  11.648   2.559  -2.535
  152   2HG   GLN  26          1HG       GLN  26  11.690   4.192  -1.871
  153   1HE2  GLN  26          1HE2      GLN  26  10.322   0.961  -1.434
  154   2HE2  GLN  26          2HE2      GLN  26   9.661   1.252   0.101
  155    H    ARG  27           H        ARG  27   8.480   0.618  -3.766
  156    HA   ARG  27           HA       ARG  27   6.177   1.400  -5.416
  157   1HB   ARG  27          1HB       ARG  27   7.245  -1.000  -4.127
  158   2HB   ARG  27          2HB       ARG  27   5.500  -0.860  -3.936
  159   1HG   ARG  27          2HG       ARG  27   5.641  -1.921  -6.007
  160   2HG   ARG  27          1HG       ARG  27   5.557  -0.222  -6.484
  161   1HD   ARG  27          2HD       ARG  27   7.404  -0.983  -7.735
  162   2HD   ARG  27          1HD       ARG  27   8.203  -0.367  -6.275
  163    HE   ARG  27           HE       ARG  27   7.362  -3.107  -5.906
  164   1HH1  ARG  27          1HH2      ARG  27   9.775  -1.116  -7.435
  165   2HH1  ARG  27          2HH2      ARG  27  10.976  -2.359  -7.408
  166   1HH2  ARG  27          1HH1      ARG  27   8.939  -4.705  -5.883
  167   2HH2  ARG  27          2HH1      ARG  27  10.509  -4.377  -6.537
  168    H    TYR  28           H        TYR  28   4.507   2.560  -4.642
  169    HA   TYR  28           HA       TYR  28   4.053   2.538  -1.681
  170   1HB   TYR  28          1HB       TYR  28   3.243   4.777  -1.894
  171   2HB   TYR  28          2HB       TYR  28   4.674   4.723  -2.914
  172    HD1  TYR  28           1HD      TYR  28   1.058   5.194  -2.818
  173    HD2  TYR  28           2HD      TYR  28   4.408   4.466  -5.403
  174    HE1  TYR  28           1HE      TYR  28  -0.289   5.875  -4.775
  175    HE2  TYR  28           2HE      TYR  28   3.047   5.154  -7.351
  176    HH   TYR  28           HH       TYR  28   0.897   5.472  -8.050
  177    H    PHE  29           H        PHE  29   1.573   3.140  -1.358
  178    HA   PHE  29           HA       PHE  29   0.040   1.369  -3.195
  179   1HB   PHE  29          2HB       PHE  29   0.082   1.519  -0.166
  180   2HB   PHE  29          1HB       PHE  29  -1.069   0.546  -1.093
  181    HD1  PHE  29           1HD      PHE  29   2.572   1.057  -0.387
  182    HD2  PHE  29           2HD      PHE  29  -0.392  -1.443  -2.232
  183    HE1  PHE  29           1HE      PHE  29   4.291  -0.675  -0.829
  184    HE2  PHE  29           2HE      PHE  29   1.325  -3.176  -2.657
  185    HZ   PHE  29           HZ       PHE  29   3.668  -2.789  -1.963
  186    H    LEU  30           H        LEU  30  -0.968   2.866  -4.314
  187    HA   LEU  30           HA       LEU  30  -1.976   5.356  -3.318
  188   1HB   LEU  30          1HB       LEU  30  -1.269   4.455  -5.677
  189   2HB   LEU  30          2HB       LEU  30  -2.914   3.854  -5.768
  190    HG   LEU  30           HG       LEU  30  -3.794   5.934  -6.053
  191   1HD1  LEU  30          1HD2      LEU  30  -1.486   7.293  -4.687
  192   2HD1  LEU  30          2HD2      LEU  30  -2.979   6.851  -3.865
  193   3HD1  LEU  30          3HD2      LEU  30  -3.006   8.026  -5.173
  194   1HD2  LEU  30          1HD1      LEU  30  -1.252   7.083  -6.891
  195   2HD2  LEU  30          2HD1      LEU  30  -2.704   6.748  -7.835
  196   3HD2  LEU  30          3HD1      LEU  30  -1.547   5.458  -7.507
  197    H    ASN  31           H        ASN  31  -3.619   5.385  -1.828
  198    HA   ASN  31           HA       ASN  31  -5.690   3.286  -1.799
  199   1HB   ASN  31          1HB       ASN  31  -4.613   4.159   0.255
  200   2HB   ASN  31          2HB       ASN  31  -5.224   5.772  -0.117
  201   1HD2  ASN  31          1HD2      ASN  31  -5.841   3.854   2.177
  202   2HD2  ASN  31          2HD2      ASN  31  -7.528   3.711   2.165
  203    H    HIS  32           H        HIS  32  -7.247   3.562  -3.365
  204    HA   HIS  32           HA       HIS  32  -8.107   6.209  -4.278
  205   1HB   HIS  32          1HB       HIS  32  -8.152   3.503  -5.139
  206   2HB   HIS  32          2HB       HIS  32  -9.832   4.029  -5.041
  207    HD1  HIS  32           1HD      HIS  32 -10.219   6.538  -6.205
  208    HD2  HIS  32           2HD      HIS  32  -6.947   4.297  -7.490
  209    HE1  HIS  32           1HE      HIS  32  -9.518   7.508  -8.436
  210    H    ILE  33           H        ILE  33  -8.862   4.359  -1.555
  211    HA   ILE  33           HA       ILE  33 -11.726   5.136  -1.466
  212    HB   ILE  33           HB       ILE  33 -10.420   3.981   0.945
  213   1HG1  ILE  33          2HG1      ILE  33 -10.535   2.440  -1.672
  214   2HG1  ILE  33          1HG1      ILE  33  -9.124   2.713  -0.653
  215   1HG2  ILE  33          1HG2      ILE  33 -12.887   4.327   0.559
  216   2HG2  ILE  33          2HG2      ILE  33 -12.448   2.679   1.003
  217   3HG2  ILE  33          3HG2      ILE  33 -12.812   3.072  -0.677
  218   1HD1  ILE  33          1HD1      ILE  33  -9.704   0.551  -0.025
  219   2HD1  ILE  33          2HD1      ILE  33 -11.432   0.846  -0.216
  220   3HD1  ILE  33          3HD1      ILE  33 -10.574   1.497   1.182
  221    H    ASP  34           H        ASP  34  -8.935   5.417   0.725
  222    HA   ASP  34           HA       ASP  34 -10.084   7.810   2.004
  223   1HB   ASP  34          1HB       ASP  34  -8.816   5.942   3.147
  224   2HB   ASP  34          2HB       ASP  34  -7.363   6.509   2.323
  225    H    GLN  35           H        GLN  35  -8.624   7.431  -0.917
  226    HA   GLN  35           HA       GLN  35  -7.375   8.851  -2.326
  227   1HB   GLN  35          1HB       GLN  35  -8.450  10.841  -0.300
  228   2HB   GLN  35          2HB       GLN  35  -7.886  11.233  -1.923
  229   1HG   GLN  35          1HG       GLN  35  -9.691  10.117  -2.951
  230   2HG   GLN  35          2HG       GLN  35 -10.063   9.191  -1.496
  231   1HE2  GLN  35          1HE2      GLN  35 -10.604  12.233  -3.146
  232   2HE2  GLN  35          2HE2      GLN  35 -11.657  12.898  -1.991
  233    H    THR  36           H        THR  36  -5.475   7.650  -1.069
  234    HA   THR  36           HA       THR  36  -3.571   9.768  -0.268
  235    HB   THR  36           HB       THR  36  -3.855   7.520   1.676
  236    HG1  THR  36           1HG      THR  36  -5.935   8.043   1.717
  237   1HG2  THR  36          1HG2      THR  36  -2.436   8.866   2.775
  238   2HG2  THR  36          2HG2      THR  36  -3.686  10.108   2.849
  239   3HG2  THR  36          3HG2      THR  36  -2.563  10.066   1.488
  240    H    THR  37           H        THR  37  -1.445   8.462   0.549
  241    HA   THR  37           HA       THR  37  -1.077   6.021  -1.140
  242    HB   THR  37           HB       THR  37   0.951   6.995  -2.085
  243    HG1  THR  37           1HG      THR  37   0.300   9.292  -0.557
  244   1HG2  THR  37          1HG2      THR  37  -1.592   7.813  -2.700
  245   2HG2  THR  37          2HG2      THR  37  -0.153   8.213  -3.637
  246   3HG2  THR  37          3HG2      THR  37  -0.771   9.351  -2.440
  247    H    THR  38           H        THR  38  -0.310   4.483   0.267
  248    HA   THR  38           HA       THR  38   1.530   5.406   2.458
  249    HB   THR  38           HB       THR  38  -0.682   4.376   3.097
  250    HG1  THR  38           1HG      THR  38   0.623   3.995   4.701
  251   1HG2  THR  38          1HG2      THR  38   0.485   1.796   2.050
  252   2HG2  THR  38          2HG2      THR  38  -0.628   2.779   1.105
  253   3HG2  THR  38          3HG2      THR  38  -1.151   2.092   2.638
  254    H    TRP  39           H        TRP  39   3.522   4.271   2.676
  255    HA   TRP  39           HA       TRP  39   4.448   2.922   0.236
  256   1HB   TRP  39          1HB       TRP  39   5.871   3.313   2.889
  257   2HB   TRP  39          2HB       TRP  39   6.613   3.060   1.314
  258    HD1  TRP  39           HD       TRP  39   4.678   5.699   3.320
  259    HE1  TRP  39           1HE      TRP  39   5.171   8.022   2.313
  260    HE3  TRP  39           3HE      TRP  39   7.371   4.347  -0.822
  261    HZ2  TRP  39           2HZ      TRP  39   6.533   9.153   0.096
  262    HZ3  TRP  39           3HZ      TRP  39   8.265   6.073  -2.342
  263    HH2  TRP  39           HH       TRP  39   7.846   8.474  -1.898
  264    H    GLN  40           H        GLN  40   3.995   2.030   3.670
  265    HA   GLN  40           HA       GLN  40   4.769  -0.744   3.270
  266   1HB   GLN  40          1HB       GLN  40   3.807   1.060   5.392
  267   2HB   GLN  40          2HB       GLN  40   3.272  -0.611   5.584
  268   1HG   GLN  40          1HG       GLN  40   5.461  -1.431   5.731
  269   2HG   GLN  40          2HG       GLN  40   6.147  -0.022   4.920
  270   1HE2  GLN  40          1HE2      GLN  40   6.005   2.095   6.212
  271   2HE2  GLN  40          2HE2      GLN  40   6.117   2.000   7.902
  272    H    ASP  41           H        ASP  41   2.733  -2.166   4.538
  273    HA   ASP  41           HA       ASP  41   0.402  -1.834   2.676
  274   1HB   ASP  41          2HB       ASP  41   1.777  -4.355   3.667
  275   2HB   ASP  41          1HB       ASP  41   0.362  -4.318   2.614
  276    HA   PRO  42           HA       PRO  42  -1.934  -1.855   6.434
  277   1HB   PRO  42          1HB       PRO  42  -4.399  -2.452   5.405
  278   2HB   PRO  42          2HB       PRO  42  -3.644  -0.855   5.243
  279   1HG   PRO  42          1HG       PRO  42  -3.826  -3.082   3.272
  280   2HG   PRO  42          2HG       PRO  42  -3.962  -1.337   3.015
  281   1HD   PRO  42          1HD       PRO  42  -1.712  -2.785   2.456
  282   2HD   PRO  42          2HD       PRO  42  -1.695  -1.058   2.869
  283    H    ARG  43           H        ARG  43  -3.361  -3.404   7.701
  284    HA   ARG  43           HA       ARG  43  -3.682  -5.564   8.607
  285   1HB   ARG  43          1HB       ARG  43  -4.369  -5.479   5.805
  286   2HB   ARG  43          2HB       ARG  43  -3.758  -7.081   6.212
  287   1HG   ARG  43          2HG       ARG  43  -5.842  -7.495   6.999
  288   2HG   ARG  43          1HG       ARG  43  -5.386  -6.483   8.368
  289   1HD   ARG  43          1HD       ARG  43  -6.112  -4.640   6.395
  290   2HD   ARG  43          2HD       ARG  43  -7.315  -5.935   6.245
  291    HE   ARG  43           HE       ARG  43  -6.779  -5.286   9.023
  292   1HH1  ARG  43          1HH2      ARG  43  -8.517  -4.282   6.178
  293   2HH1  ARG  43          2HH2      ARG  43  -9.751  -3.477   7.083
  294   1HH2  ARG  43          1HH1      ARG  43  -8.394  -4.234  10.175
  295   2HH2  ARG  43          2HH1      ARG  43  -9.686  -3.449   9.328
  296    H    LYS  44           H        LYS  44  -2.807  -8.071   7.599
  297    HA   LYS  44           HA       LYS  44   0.030  -7.982   6.923
  298   1HB   LYS  44          1HB       LYS  44   0.771  -8.841   9.148
  299   2HB   LYS  44          2HB       LYS  44   0.080  -7.221   9.256
  300   1HG   LYS  44          1HG       LYS  44  -2.011  -9.201   9.504
  301   2HG   LYS  44          2HG       LYS  44  -0.734  -9.524  10.678
  302   1HD   LYS  44          1HD       LYS  44  -1.407  -6.674  10.438
  303   2HD   LYS  44          2HD       LYS  44  -2.752  -7.665  11.001
  304   1HE   LYS  44          1HE       LYS  44  -1.733  -8.110  13.004
  305   2HE   LYS  44          2HE       LYS  44  -0.134  -8.283  12.256
  306   1HZ   LYS  44          1HZ       LYS  44  -0.349  -6.242  13.621
  307   2HZ   LYS  44          2HZ       LYS  44  -1.581  -5.702  12.584
  308   3HZ   LYS  44          3HZ       LYS  44  -0.001  -5.910  11.995
  309   1H    ACE  45          1H        ACE  45   7.536  16.232   2.947
  310   2H    ACE  45          2H        ACE  45   8.609  14.907   3.398
  311   3H    ACE  45          3H        ACE  45   7.441  15.530   4.562
  312    HA   PRO  46           HA       PRO  46   8.064  13.009   1.391
  313   1HB   PRO  46          2HB       PRO  46   8.526  10.423   2.154
  314   2HB   PRO  46          1HB       PRO  46   9.487  11.791   2.750
  315   1HG   PRO  46          2HG       PRO  46   7.266  10.320   4.072
  316   2HG   PRO  46          1HG       PRO  46   8.764  10.966   4.763
  317   1HD   PRO  46          2HD       PRO  46   6.345  12.192   5.012
  318   2HD   PRO  46          1HD       PRO  46   7.893  13.063   5.028
  319    H    LEU  47           H        LEU  47   5.306  11.368   2.844
  320    HA   LEU  47           HA       LEU  47   4.699   9.471   0.828
  321   1HB   LEU  47          1HB       LEU  47   2.734  11.158   2.409
  322   2HB   LEU  47          2HB       LEU  47   2.472   9.532   1.786
  323    HG   LEU  47           HG       LEU  47   4.847   9.564   3.424
  324   1HD1  LEU  47          1HD2      LEU  47   3.388  11.552   4.352
  325   2HD1  LEU  47          2HD2      LEU  47   4.094  10.386   5.472
  326   3HD1  LEU  47          3HD2      LEU  47   2.396  10.253   5.015
  327   1HD2  LEU  47          1HD1      LEU  47   2.295   8.291   4.303
  328   2HD2  LEU  47          2HD1      LEU  47   3.920   7.610   4.224
  329   3HD2  LEU  47          3HD1      LEU  47   2.961   7.775   2.754
  330    HA   PRO  48           HA       PRO  48   3.700  12.189  -2.537
  331   1HB   PRO  48          2HB       PRO  48   2.423  10.390  -4.153
  332   2HB   PRO  48          1HB       PRO  48   4.184  10.426  -3.952
  333   1HG   PRO  48          1HG       PRO  48   2.165   8.627  -2.707
  334   2HG   PRO  48          2HG       PRO  48   3.785   8.254  -3.302
  335   1HD   PRO  48          1HD       PRO  48   3.172   8.593  -0.656
  336   2HD   PRO  48          2HD       PRO  48   4.782   8.892  -1.342
  337    HA   PRO  49           HA       PRO  49  -0.474  13.312  -1.557
  338   1HB   PRO  49          2HB       PRO  49  -0.930  15.077  -3.597
  339   2HB   PRO  49          1HB       PRO  49   0.080  15.466  -2.191
  340   1HG   PRO  49          1HG       PRO  49   0.880  14.656  -4.944
  341   2HG   PRO  49          2HG       PRO  49   1.619  15.841  -3.858
  342   1HD   PRO  49          1HD       PRO  49   2.599  13.316  -4.259
  343   2HD   PRO  49          2HD       PRO  49   2.859  14.252  -2.773
  344    H    TYR  50           H        TYR  50  -2.506  13.888  -3.355
  345    HA   TYR  50           HA       TYR  50  -2.644  11.522  -5.185
  346   1HB   TYR  50          2HB       TYR  50  -3.708  11.388  -2.767
  347   2HB   TYR  50          1HB       TYR  50  -4.988  12.355  -3.500
  348    HD1  TYR  50           1HD      TYR  50  -4.284   9.135  -2.667
  349    HD2  TYR  50           2HD      TYR  50  -5.368  11.420  -6.139
  350    HE1  TYR  50           1HE      TYR  50  -5.229   7.095  -3.716
  351    HE2  TYR  50           2HE      TYR  50  -6.311   9.381  -7.188
  352    HH   TYR  50           HH       TYR  50  -7.267   7.154  -6.340
  Start of MODEL   18
    1    H    PHE   5           H        PHE   5  -6.177  -5.325  19.413
    2    HA   PHE   5           HA       PHE   5  -6.642  -7.092  17.053
    3   1HB   PHE   5          2HB       PHE   5  -8.286  -4.987  18.488
    4   2HB   PHE   5          1HB       PHE   5  -8.840  -5.847  17.052
    5    HD1  PHE   5           1HD      PHE   5  -7.502  -6.439  20.498
    6    HD2  PHE   5           2HD      PHE   5  -9.893  -7.934  17.259
    7    HE1  PHE   5           1HE      PHE   5  -8.228  -8.340  21.913
    8    HE2  PHE   5           2HE      PHE   5 -10.618  -9.837  18.673
    9    HZ   PHE   5           HZ       PHE   5  -9.786 -10.039  21.000
   10    H    GLU   6           H        GLU   6  -5.112  -6.271  15.547
   11    HA   GLU   6           HA       GLU   6  -5.352  -3.358  14.873
   12   1HB   GLU   6          2HB       GLU   6  -3.165  -4.762  15.618
   13   2HB   GLU   6          1HB       GLU   6  -3.108  -5.043  13.877
   14   1HG   GLU   6          2HG       GLU   6  -1.879  -3.050  14.141
   15   2HG   GLU   6          1HG       GLU   6  -3.482  -2.476  13.678
   16    H    ILE   7           H        ILE   7  -5.299  -6.650  13.548
   17    HA   ILE   7           HA       ILE   7  -6.140  -5.535  10.896
   18    HB   ILE   7           HB       ILE   7  -3.980  -6.831  11.122
   19   1HG1  ILE   7          1HG1      ILE   7  -4.508  -8.381   9.196
   20   2HG1  ILE   7          2HG1      ILE   7  -6.205  -7.935   9.387
   21   1HG2  ILE   7          1HG2      ILE   7  -5.430  -8.493  12.736
   22   2HG2  ILE   7          2HG2      ILE   7  -3.908  -8.941  11.966
   23   3HG2  ILE   7          3HG2      ILE   7  -5.442  -9.395  11.221
   24   1HD1  ILE   7          1HD1      ILE   7  -3.929  -5.992   8.878
   25   2HD1  ILE   7          2HD1      ILE   7  -5.635  -5.572   9.016
   26   3HD1  ILE   7          3HD1      ILE   7  -5.076  -6.551   7.660
   27    HA   PRO   8           HA       PRO   8  -9.995  -7.527  11.733
   28   1HB   PRO   8          2HB       PRO   8 -11.131  -7.264   9.262
   29   2HB   PRO   8          1HB       PRO   8 -10.951  -5.914  10.396
   30   1HG   PRO   8          2HG       PRO   8  -9.424  -6.549   7.950
   31   2HG   PRO   8          1HG       PRO   8  -9.749  -4.986   8.705
   32   1HD   PRO   8          1HD       PRO   8  -7.361  -6.462   8.856
   33   2HD   PRO   8          2HD       PRO   8  -7.790  -5.048   9.835
   34    H    ASP   9           H        ASP   9  -9.800  -8.431   8.320
   35    HA   ASP   9           HA       ASP   9  -9.932 -11.279   9.112
   36   1HB   ASP   9          1HB       ASP   9 -10.649 -11.507   6.760
   37   2HB   ASP   9          2HB       ASP   9 -11.584 -10.267   7.583
   38    H    ASP  10           H        ASP  10  -7.339  -9.819   9.282
   39    HA   ASP  10           HA       ASP  10  -5.087 -10.132   8.624
   40   1HB   ASP  10          1HB       ASP  10  -5.677 -12.373   9.390
   41   2HB   ASP  10          2HB       ASP  10  -6.392 -12.749   7.822
   42    H    VAL  11           H        VAL  11  -5.990  -8.467   6.821
   43    HA   VAL  11           HA       VAL  11  -5.309  -9.678   4.163
   44    HB   VAL  11           HB       VAL  11  -7.717  -9.304   4.365
   45   1HG1  VAL  11          1HG1      VAL  11  -6.929  -6.462   5.078
   46   2HG1  VAL  11          2HG1      VAL  11  -7.650  -7.639   6.174
   47   3HG1  VAL  11          3HG1      VAL  11  -8.580  -7.020   4.809
   48   1HG2  VAL  11          1HG2      VAL  11  -7.976  -7.529   2.555
   49   2HG2  VAL  11          2HG2      VAL  11  -6.866  -8.846   2.172
   50   3HG2  VAL  11          3HG2      VAL  11  -6.235  -7.278   2.675
   51    HA   PRO  12           HA       PRO  12  -2.384  -6.351   4.152
   52   1HB   PRO  12          2HB       PRO  12  -1.667  -6.447   1.509
   53   2HB   PRO  12          1HB       PRO  12  -1.103  -7.618   2.716
   54   1HG   PRO  12          2HG       PRO  12  -3.230  -7.888   0.657
   55   2HG   PRO  12          1HG       PRO  12  -2.090  -9.092   1.268
   56   1HD   PRO  12          2HD       PRO  12  -4.736  -8.914   2.018
   57   2HD   PRO  12          1HD       PRO  12  -3.465  -9.691   2.981
   58    H    LEU  13           H        LEU  13  -3.517  -5.999   0.820
   59    HA   LEU  13           HA       LEU  13  -4.527  -3.282   1.530
   60   1HB   LEU  13          2HB       LEU  13  -3.745  -4.537  -1.122
   61   2HB   LEU  13          1HB       LEU  13  -4.114  -2.833  -0.856
   62    HG   LEU  13           HG       LEU  13  -2.116  -3.761   1.036
   63   1HD1  LEU  13          1HD1      LEU  13  -0.564  -3.669  -1.311
   64   2HD1  LEU  13          2HD1      LEU  13  -1.891  -4.770  -1.675
   65   3HD1  LEU  13          3HD1      LEU  13  -0.848  -5.075  -0.285
   66   1HD2  LEU  13          1HD2      LEU  13  -0.866  -1.838  -0.005
   67   2HD2  LEU  13          2HD2      LEU  13  -2.486  -1.414   0.550
   68   3HD2  LEU  13          3HD2      LEU  13  -2.184  -1.678  -1.167
   69    HA   PRO  14           HA       PRO  14  -8.552  -5.154   0.765
   70   1HB   PRO  14          2HB       PRO  14 -10.038  -2.930   1.353
   71   2HB   PRO  14          1HB       PRO  14  -9.352  -3.993   2.596
   72   1HG   PRO  14          2HG       PRO  14  -8.376  -1.363   1.593
   73   2HG   PRO  14          1HG       PRO  14  -8.389  -2.006   3.240
   74   1HD   PRO  14          2HD       PRO  14  -6.167  -1.949   1.649
   75   2HD   PRO  14          1HD       PRO  14  -6.418  -3.136   2.944
   76    H    ALA  15           H        ALA  15 -10.650  -3.656  -0.339
   77    HA   ALA  15           HA       ALA  15  -9.852  -3.487  -3.123
   78   1HB   ALA  15          1HB       ALA  15 -12.404  -2.373  -1.989
   79   2HB   ALA  15          2HB       ALA  15 -12.107  -4.110  -1.910
   80   3HB   ALA  15          3HB       ALA  15 -12.158  -3.294  -3.473
   81    H    GLY  16           H        GLY  16 -10.500  -1.445  -4.417
   82   1HA   GLY  16          1HA       GLY  16 -10.211   0.840  -4.860
   83   2HA   GLY  16          2HA       GLY  16 -10.544   1.130  -3.155
   84    H    TRP  17           H        TRP  17  -7.970  -1.069  -3.648
   85    HA   TRP  17           HA       TRP  17  -6.018   1.089  -2.960
   86   1HB   TRP  17          2HB       TRP  17  -6.498  -1.747  -2.240
   87   2HB   TRP  17          1HB       TRP  17  -4.805  -1.278  -2.395
   88    HD1  TRP  17           HD       TRP  17  -7.831  -0.850  -0.206
   89    HE1  TRP  17           1HE      TRP  17  -7.200   0.568   1.859
   90    HE3  TRP  17           3HE      TRP  17  -3.201   0.721  -1.622
   91    HZ2  TRP  17           2HZ      TRP  17  -4.996   2.164   2.779
   92    HZ3  TRP  17           3HZ      TRP  17  -1.863   2.183  -0.150
   93    HH2  TRP  17           HH       TRP  17  -2.739   2.906   2.041
   94    H    GLU  18           H        GLU  18  -4.065   1.252  -4.163
   95    HA   GLU  18           HA       GLU  18  -3.789  -0.611  -6.497
   96   1HB   GLU  18          1HB       GLU  18  -4.363   2.249  -6.412
   97   2HB   GLU  18          2HB       GLU  18  -2.923   1.896  -7.358
   98   1HG   GLU  18          2HG       GLU  18  -4.493   1.563  -9.003
   99   2HG   GLU  18          1HG       GLU  18  -4.499  -0.055  -8.301
  100    H    MET  19           H        MET  19  -1.924  -1.655  -5.539
  101    HA   MET  19           HA       MET  19   0.285  -0.170  -4.428
  102   1HB   MET  19          1HB       MET  19   1.470  -2.334  -4.748
  103   2HB   MET  19          2HB       MET  19  -0.069  -2.545  -3.941
  104   1HG   MET  19          1HG       MET  19  -0.837  -2.809  -6.546
  105   2HG   MET  19          2HG       MET  19   0.812  -3.420  -6.639
  106   1HE   MET  19          1HE       MET  19  -2.574  -4.933  -3.959
  107   2HE   MET  19          2HE       MET  19  -2.381  -3.349  -4.707
  108   3HE   MET  19          3HE       MET  19  -1.436  -3.763  -3.280
  109    H    ALA  20           H        ALA  20   1.713   1.026  -5.568
  110    HA   ALA  20           HA       ALA  20   2.530   0.218  -8.287
  111   1HB   ALA  20          1HB       ALA  20   1.855   2.890  -8.651
  112   2HB   ALA  20          2HB       ALA  20   0.566   2.311  -7.601
  113   3HB   ALA  20          3HB       ALA  20   0.859   1.525  -9.151
  114    H    LYS  21           H        LYS  21   3.737   2.921  -8.755
  115    HA   LYS  21           HA       LYS  21   5.613   2.941  -6.430
  116   1HB   LYS  21          2HB       LYS  21   6.084   2.871  -9.399
  117   2HB   LYS  21          1HB       LYS  21   7.319   3.527  -8.324
  118   1HG   LYS  21          1HG       LYS  21   7.371   1.430  -7.061
  119   2HG   LYS  21          2HG       LYS  21   6.075   0.772  -8.060
  120   1HD   LYS  21          1HD       LYS  21   7.674  -0.009  -9.448
  121   2HD   LYS  21          2HD       LYS  21   8.002   1.666  -9.891
  122   1HE   LYS  21          1HE       LYS  21   9.518   1.739  -7.800
  123   2HE   LYS  21          2HE       LYS  21   9.402  -0.032  -7.812
  124   1HZ   LYS  21          1HZ       LYS  21  10.127  -0.044 -10.105
  125   2HZ   LYS  21          2HZ       LYS  21  11.273   0.789  -9.166
  126   3HZ   LYS  21          3HZ       LYS  21  10.181   1.650 -10.142
  127    H    THR  22           H        THR  22   6.810   4.934  -6.115
  128    HA   THR  22           HA       THR  22   5.325   7.315  -7.209
  129    HB   THR  22           HB       THR  22   4.603   7.121  -4.980
  130    HG1  THR  22           1HG      THR  22   5.991   8.750  -3.865
  131   1HG2  THR  22          1HG2      THR  22   6.253   5.333  -4.335
  132   2HG2  THR  22          2HG2      THR  22   6.016   6.553  -3.087
  133   3HG2  THR  22          3HG2      THR  22   7.459   6.599  -4.101
  134    H    SER  23           H        SER  23   6.704   9.386  -6.573
  135    HA   SER  23           HA       SER  23   9.147   9.259  -8.096
  136   1HB   SER  23          2HB       SER  23   7.541  11.221  -6.554
  137   2HB   SER  23          1HB       SER  23   9.245  11.627  -6.764
  138    HG   SER  23           HG       SER  23   7.921  12.380  -8.485
  139    H    SER  24           H        SER  24  10.460   7.660  -6.988
  140    HA   SER  24           HA       SER  24  12.338   8.693  -5.107
  141   1HB   SER  24          1HB       SER  24   9.816   7.679  -4.050
  142   2HB   SER  24          2HB       SER  24  11.195   6.799  -3.390
  143    HG   SER  24           HG       SER  24  12.048   8.684  -2.646
  144    H    GLY  25           H        GLY  25  10.666   5.865  -6.350
  145   1HA   GLY  25          1HA       GLY  25  11.970   4.182  -7.605
  146   2HA   GLY  25          2HA       GLY  25  13.290   4.445  -6.463
  147    H    GLN  26           H        GLN  26   9.989   4.303  -5.341
  148    HA   GLN  26           HA       GLN  26  10.424   1.511  -4.359
  149   1HB   GLN  26          2HB       GLN  26   9.706   4.020  -2.826
  150   2HB   GLN  26          1HB       GLN  26   9.453   2.404  -2.164
  151   1HG   GLN  26          2HG       GLN  26  12.135   2.876  -3.324
  152   2HG   GLN  26          1HG       GLN  26  11.772   3.818  -1.877
  153   1HE2  GLN  26          1HE2      GLN  26  10.213   2.063  -0.375
  154   2HE2  GLN  26          2HE2      GLN  26  11.097   0.660  -0.009
  155    H    ARG  27           H        ARG  27   8.430   0.392  -3.844
  156    HA   ARG  27           HA       ARG  27   6.177   1.210  -5.528
  157   1HB   ARG  27          1HB       ARG  27   7.205  -1.195  -4.334
  158   2HB   ARG  27          2HB       ARG  27   5.534  -0.995  -3.833
  159   1HG   ARG  27          1HG       ARG  27   5.470  -0.296  -6.513
  160   2HG   ARG  27          2HG       ARG  27   6.600  -1.651  -6.471
  161   1HD   ARG  27          1HD       ARG  27   3.970  -1.810  -4.995
  162   2HD   ARG  27          2HD       ARG  27   4.073  -2.214  -6.721
  163    HE   ARG  27           HE       ARG  27   6.199  -3.469  -5.191
  164   1HH1  ARG  27          1HH2      ARG  27   2.838  -3.699  -6.071
  165   2HH1  ARG  27          2HH2      ARG  27   2.788  -5.415  -5.860
  166   1HH2  ARG  27          1HH1      ARG  27   6.108  -5.695  -4.923
  167   2HH2  ARG  27          2HH1      ARG  27   4.623  -6.538  -5.215
  168    H    TYR  28           H        TYR  28   4.702   2.620  -4.760
  169    HA   TYR  28           HA       TYR  28   4.152   2.606  -1.831
  170   1HB   TYR  28          1HB       TYR  28   3.512   4.865  -2.036
  171   2HB   TYR  28          2HB       TYR  28   4.881   4.731  -3.122
  172    HD1  TYR  28           1HD      TYR  28   2.760   6.890  -3.195
  173    HD2  TYR  28           2HD      TYR  28   3.022   3.137  -5.262
  174    HE1  TYR  28           1HE      TYR  28   1.431   7.807  -5.060
  175    HE2  TYR  28           2HE      TYR  28   1.705   4.062  -7.115
  176    HH   TYR  28           HH       TYR  28   1.176   6.251  -8.076
  177    H    PHE  29           H        PHE  29   1.749   3.202  -1.437
  178    HA   PHE  29           HA       PHE  29   0.145   1.472  -3.258
  179   1HB   PHE  29          2HB       PHE  29   0.288   1.647  -0.234
  180   2HB   PHE  29          1HB       PHE  29  -0.956   0.732  -1.098
  181    HD1  PHE  29           1HD      PHE  29  -0.480  -1.368  -2.062
  182    HD2  PHE  29           2HD      PHE  29   2.781   1.100  -0.752
  183    HE1  PHE  29           1HE      PHE  29   1.103  -3.210  -2.544
  184    HE2  PHE  29           2HE      PHE  29   4.359  -0.748  -1.230
  185    HZ   PHE  29           HZ       PHE  29   3.522  -2.902  -2.127
  186    H    LEU  30           H        LEU  30  -0.912   2.929  -4.370
  187    HA   LEU  30           HA       LEU  30  -1.902   5.452  -3.360
  188   1HB   LEU  30          1HB       LEU  30  -1.256   4.273  -5.751
  189   2HB   LEU  30          2HB       LEU  30  -3.005   4.224  -5.824
  190    HG   LEU  30           HG       LEU  30  -3.162   6.614  -5.593
  191   1HD1  LEU  30          1HD2      LEU  30  -0.561   6.332  -4.389
  192   2HD1  LEU  30          2HD2      LEU  30  -1.623   7.739  -4.419
  193   3HD1  LEU  30          3HD2      LEU  30  -0.467   7.484  -5.719
  194   1HD2  LEU  30          1HD1      LEU  30  -2.792   6.165  -7.844
  195   2HD2  LEU  30          2HD1      LEU  30  -1.177   5.519  -7.549
  196   3HD2  LEU  30          3HD1      LEU  30  -1.452   7.261  -7.497
  197    H    ASN  31           H        ASN  31  -3.515   5.417  -1.858
  198    HA   ASN  31           HA       ASN  31  -5.608   3.344  -1.889
  199   1HB   ASN  31          1HB       ASN  31  -4.514   4.183   0.182
  200   2HB   ASN  31          2HB       ASN  31  -5.148   5.794  -0.153
  201   1HD2  ASN  31          1HD2      ASN  31  -5.748   3.972   2.149
  202   2HD2  ASN  31          2HD2      ASN  31  -7.423   3.740   2.118
  203    H    HIS  32           H        HIS  32  -7.196   3.660  -3.411
  204    HA   HIS  32           HA       HIS  32  -8.015   6.345  -4.271
  205   1HB   HIS  32          1HB       HIS  32  -8.377   3.518  -5.026
  206   2HB   HIS  32          2HB       HIS  32  -9.789   4.529  -5.330
  207    HD1  HIS  32           1HD      HIS  32  -9.497   6.527  -6.996
  208    HD2  HIS  32           2HD      HIS  32  -6.130   4.096  -6.651
  209    HE1  HIS  32           1HE      HIS  32  -7.969   7.144  -8.919
  210    H    ILE  33           H        ILE  33  -8.802   4.413  -1.613
  211    HA   ILE  33           HA       ILE  33 -11.668   5.169  -1.522
  212    HB   ILE  33           HB       ILE  33 -10.322   4.037   0.886
  213   1HG1  ILE  33          2HG1      ILE  33 -10.473   2.503  -1.730
  214   2HG1  ILE  33          1HG1      ILE  33  -9.054   2.763  -0.718
  215   1HG2  ILE  33          1HG2      ILE  33 -12.394   3.144   1.238
  216   2HG2  ILE  33          2HG2      ILE  33 -12.613   2.714  -0.457
  217   3HG2  ILE  33          3HG2      ILE  33 -12.883   4.374   0.073
  218   1HD1  ILE  33          1HD1      ILE  33  -9.516   0.749   0.195
  219   2HD1  ILE  33          2HD1      ILE  33 -11.143   0.721  -0.488
  220   3HD1  ILE  33          3HD1      ILE  33 -10.838   1.567   1.029
  221    H    ASP  34           H        ASP  34  -8.922   5.472   0.716
  222    HA   ASP  34           HA       ASP  34 -10.092   7.919   1.895
  223   1HB   ASP  34          1HB       ASP  34  -8.114   5.854   2.534
  224   2HB   ASP  34          2HB       ASP  34  -7.566   7.470   2.974
  225    H    GLN  35           H        GLN  35  -8.504   7.445  -0.917
  226    HA   GLN  35           HA       GLN  35  -7.083   8.758  -2.265
  227   1HB   GLN  35          2HB       GLN  35  -8.150  10.867  -0.361
  228   2HB   GLN  35          1HB       GLN  35  -7.519  11.157  -1.981
  229   1HG   GLN  35          2HG       GLN  35  -9.491   9.127  -2.217
  230   2HG   GLN  35          1HG       GLN  35 -10.183  10.397  -1.208
  231   1HE2  GLN  35          1HE2      GLN  35 -11.187  12.011  -2.408
  232   2HE2  GLN  35          2HE2      GLN  35 -10.750  12.479  -3.979
  233    H    THR  36           H        THR  36  -5.207   7.602  -1.118
  234    HA   THR  36           HA       THR  36  -3.373   9.651  -0.040
  235    HB   THR  36           HB       THR  36  -3.566   7.274   1.711
  236    HG1  THR  36           1HG      THR  36  -5.554   7.555   2.295
  237   1HG2  THR  36          1HG2      THR  36  -2.910  10.143   1.836
  238   2HG2  THR  36          2HG2      THR  36  -2.219   8.788   2.728
  239   3HG2  THR  36          3HG2      THR  36  -3.734   9.516   3.263
  240    H    THR  37           H        THR  37  -1.217   8.430   0.623
  241    HA   THR  37           HA       THR  37  -0.755   6.098  -1.200
  242    HB   THR  37           HB       THR  37   1.242   7.188  -2.053
  243    HG1  THR  37           1HG      THR  37   1.482   9.480  -1.277
  244   1HG2  THR  37          1HG2      THR  37  -1.333   8.077  -2.556
  245   2HG2  THR  37          2HG2      THR  37   0.094   8.462  -3.516
  246   3HG2  THR  37          3HG2      THR  37  -0.445   9.569  -2.253
  247    H    THR  38           H        THR  38  -0.098   4.502   0.215
  248    HA   THR  38           HA       THR  38   1.814   5.304   2.392
  249    HB   THR  38           HB       THR  38  -0.451   4.410   3.056
  250    HG1  THR  38           1HG      THR  38   1.334   4.119   4.413
  251   1HG2  THR  38          1HG2      THR  38  -0.547   2.824   1.068
  252   2HG2  THR  38          2HG2      THR  38  -1.047   2.141   2.613
  253   3HG2  THR  38          3HG2      THR  38   0.551   1.777   1.962
  254    H    TRP  39           H        TRP  39   3.816   4.264   2.380
  255    HA   TRP  39           HA       TRP  39   4.666   2.866   0.015
  256   1HB   TRP  39          1HB       TRP  39   5.963   2.845   2.758
  257   2HB   TRP  39          2HB       TRP  39   6.764   2.652   1.204
  258    HD1  TRP  39           HD       TRP  39   5.382   5.255   3.570
  259    HE1  TRP  39           1HE      TRP  39   6.055   7.603   2.749
  260    HE3  TRP  39           3HE      TRP  39   7.304   4.097  -1.041
  261    HZ2  TRP  39           2HZ      TRP  39   7.247   8.824   0.480
  262    HZ3  TRP  39           3HZ      TRP  39   8.213   5.877  -2.488
  263    HH2  TRP  39           HH       TRP  39   8.184   8.240  -1.743
  264    H    GLN  40           H        GLN  40   3.631   1.774   3.230
  265    HA   GLN  40           HA       GLN  40   2.924  -0.859   2.205
  266   1HB   GLN  40          1HB       GLN  40   5.491  -0.762   2.435
  267   2HB   GLN  40          2HB       GLN  40   5.214  -0.734   4.176
  268   1HG   GLN  40          2HG       GLN  40   4.655  -2.932   4.233
  269   2HG   GLN  40          1HG       GLN  40   3.665  -2.805   2.779
  270   1HE2  GLN  40          1HE2      GLN  40   7.187  -2.216   3.323
  271   2HE2  GLN  40          2HE2      GLN  40   7.702  -3.289   2.113
  272    H    ASP  41           H        ASP  41   1.828   1.399   3.866
  273    HA   ASP  41           HA       ASP  41   1.136  -0.197   6.313
  274   1HB   ASP  41          2HB       ASP  41   1.934   2.659   5.874
  275   2HB   ASP  41          1HB       ASP  41   0.822   2.290   7.193
  276    HA   PRO  42           HA       PRO  42  -2.581   1.311   3.790
  277   1HB   PRO  42          1HB       PRO  42  -3.452  -1.110   2.858
  278   2HB   PRO  42          2HB       PRO  42  -2.324  -0.079   1.962
  279   1HG   PRO  42          1HG       PRO  42  -1.780  -2.484   3.634
  280   2HG   PRO  42          2HG       PRO  42  -1.043  -1.987   2.104
  281   1HD   PRO  42          1HD       PRO  42   0.147  -1.647   4.540
  282   2HD   PRO  42          2HD       PRO  42   0.462  -0.602   3.139
  283    H    ARG  43           H        ARG  43  -2.379  -1.898   5.392
  284    HA   ARG  43           HA       ARG  43  -4.166  -1.050   7.543
  285   1HB   ARG  43          2HB       ARG  43  -5.311  -1.814   5.124
  286   2HB   ARG  43          1HB       ARG  43  -5.403  -3.279   6.102
  287   1HG   ARG  43          2HG       ARG  43  -6.218  -1.540   7.958
  288   2HG   ARG  43          1HG       ARG  43  -6.701  -0.622   6.532
  289   1HD   ARG  43          1HD       ARG  43  -7.586  -3.160   5.901
  290   2HD   ARG  43          2HD       ARG  43  -7.874  -3.082   7.650
  291    HE   ARG  43           HE       ARG  43  -8.693  -0.598   6.602
  292   1HH1  ARG  43          1HH2      ARG  43  -9.539  -3.956   6.247
  293   2HH1  ARG  43          2HH2      ARG  43 -11.189  -3.614   5.866
  294   1HH2  ARG  43          1HH1      ARG  43 -10.842  -0.179   6.104
  295   2HH2  ARG  43          2HH1      ARG  43 -11.925  -1.492   5.787
  296    H    LYS  44           H        LYS  44  -1.526  -2.450   7.054
  297    HA   LYS  44           HA       LYS  44  -1.853  -4.543   9.067
  298   1HB   LYS  44          1HB       LYS  44  -2.677  -5.536   6.889
  299   2HB   LYS  44          2HB       LYS  44  -1.047  -5.321   6.248
  300   1HG   LYS  44          2HG       LYS  44  -1.315  -6.713   8.875
  301   2HG   LYS  44          1HG       LYS  44  -1.806  -7.601   7.433
  302   1HD   LYS  44          1HD       LYS  44   0.499  -6.687   6.490
  303   2HD   LYS  44          2HD       LYS  44   0.904  -6.581   8.203
  304   1HE   LYS  44          1HE       LYS  44  -0.179  -9.091   6.877
  305   2HE   LYS  44          2HE       LYS  44   1.540  -8.794   7.198
  306   1HZ   LYS  44          1HZ       LYS  44   0.740  -9.906   9.097
  307   2HZ   LYS  44          2HZ       LYS  44  -0.689  -8.988   9.147
  308   3HZ   LYS  44          3HZ       LYS  44   0.797  -8.272   9.550
  309   1H    ACE  45          1H        ACE  45   6.977  13.271   5.827
  310   2H    ACE  45          2H        ACE  45   5.840  13.661   4.537
  311   3H    ACE  45          3H        ACE  45   7.058  14.839   5.026
  312    HA   PRO  46           HA       PRO  46   8.801  11.733   2.007
  313   1HB   PRO  46          2HB       PRO  46   9.254   9.153   2.791
  314   2HB   PRO  46          1HB       PRO  46  10.416  10.464   3.073
  315   1HG   PRO  46          2HG       PRO  46   8.467   9.226   4.947
  316   2HG   PRO  46          1HG       PRO  46  10.124   9.776   5.241
  317   1HD   PRO  46          2HD       PRO  46   7.920  11.201   5.966
  318   2HD   PRO  46          1HD       PRO  46   9.486  11.944   5.578
  319    H    LEU  47           H        LEU  47   6.608  11.952   1.155
  320    HA   LEU  47           HA       LEU  47   5.305   9.441   0.571
  321   1HB   LEU  47          2HB       LEU  47   4.690   9.753   2.956
  322   2HB   LEU  47          1HB       LEU  47   3.977  11.316   2.557
  323    HG   LEU  47           HG       LEU  47   3.033   9.055   0.901
  324   1HD1  LEU  47          1HD2      LEU  47   2.779   7.692   2.722
  325   2HD1  LEU  47          2HD2      LEU  47   1.374   8.716   3.024
  326   3HD1  LEU  47          3HD2      LEU  47   2.891   9.032   3.864
  327   1HD2  LEU  47          1HD1      LEU  47   1.222  10.814   2.464
  328   2HD2  LEU  47          2HD1      LEU  47   1.152  10.355   0.764
  329   3HD2  LEU  47          3HD1      LEU  47   2.263  11.619   1.291
  330    HA   PRO  48           HA       PRO  48   4.059  12.381  -2.555
  331   1HB   PRO  48          2HB       PRO  48   2.617  10.655  -4.115
  332   2HB   PRO  48          1HB       PRO  48   4.389  10.711  -4.118
  333   1HG   PRO  48          2HG       PRO  48   2.550   8.809  -2.749
  334   2HG   PRO  48          1HG       PRO  48   4.092   8.499  -3.555
  335   1HD   PRO  48          1HD       PRO  48   3.805   8.673  -0.843
  336   2HD   PRO  48          2HD       PRO  48   5.315   9.055  -1.700
  337    HA   PRO  49           HA       PRO  49   0.026  13.388  -1.019
  338   1HB   PRO  49          2HB       PRO  49  -0.665  15.294  -2.856
  339   2HB   PRO  49          1HB       PRO  49   0.499  15.588  -1.551
  340   1HG   PRO  49          2HG       PRO  49   0.982  14.990  -4.428
  341   2HG   PRO  49          1HG       PRO  49   1.838  16.099  -3.348
  342   1HD   PRO  49          1HD       PRO  49   2.768  13.621  -4.045
  343   2HD   PRO  49          2HD       PRO  49   3.195  14.448  -2.532
  344    H    TYR  50           H        TYR  50  -2.224  14.020  -2.445
  345    HA   TYR  50           HA       TYR  50  -2.639  12.320  -4.771
  346   1HB   TYR  50          2HB       TYR  50  -2.392  10.776  -2.733
  347   2HB   TYR  50          1HB       TYR  50  -3.930  11.441  -2.179
  348    HD1  TYR  50           1HD      TYR  50  -2.366   9.955  -5.251
  349    HD2  TYR  50           2HD      TYR  50  -5.911  10.419  -2.871
  350    HE1  TYR  50           1HE      TYR  50  -3.580   8.406  -6.758
  351    HE2  TYR  50           2HE      TYR  50  -7.126   8.869  -4.377
  352    HH   TYR  50           HH       TYR  50  -6.551   7.021  -5.961
  Start of MODEL   19
    1    H    PHE   5           H        PHE   5   6.423 -12.620  16.162
    2    HA   PHE   5           HA       PHE   5   7.312 -11.311  14.406
    3   1HB   PHE   5          2HB       PHE   5   9.340 -12.499  15.951
    4   2HB   PHE   5          1HB       PHE   5   9.855 -12.713  14.277
    5    HD1  PHE   5           1HD      PHE   5   8.509 -10.132  16.633
    6    HD2  PHE   5           2HD      PHE   5  10.827 -10.925  13.106
    7    HE1  PHE   5           1HE      PHE   5   9.167  -7.743  16.530
    8    HE2  PHE   5           2HE      PHE   5  11.486  -8.536  13.002
    9    HZ   PHE   5           HZ       PHE   5  10.655  -6.946  14.714
   10    H    GLU   6           H        GLU   6   8.966 -11.860  12.296
   11    HA   GLU   6           HA       GLU   6   8.931 -12.847  10.147
   12   1HB   GLU   6          1HB       GLU   6   9.640 -14.668  11.985
   13   2HB   GLU   6          2HB       GLU   6   8.152 -15.431  11.428
   14   1HG   GLU   6          2HG       GLU   6   9.130 -14.923   9.036
   15   2HG   GLU   6          1HG       GLU   6  10.667 -14.844   9.896
   16    H    ILE   7           H        ILE   7   6.448 -11.652  10.995
   17    HA   ILE   7           HA       ILE   7   4.165 -13.335  10.650
   18    HB   ILE   7           HB       ILE   7   3.031 -11.170  10.261
   19   1HG1  ILE   7          1HG1      ILE   7   5.823  -9.988  10.184
   20   2HG1  ILE   7          2HG1      ILE   7   4.852 -10.290   8.743
   21   1HG2  ILE   7          1HG2      ILE   7   4.889 -10.165  12.235
   22   2HG2  ILE   7          2HG2      ILE   7   4.612 -11.888  12.489
   23   3HG2  ILE   7          3HG2      ILE   7   3.249 -10.769  12.467
   24   1HD1  ILE   7          1HD1      ILE   7   3.391  -8.847  10.841
   25   2HD1  ILE   7          2HD1      ILE   7   3.536  -8.483   9.121
   26   3HD1  ILE   7          3HD1      ILE   7   4.797  -7.967  10.241
   27    HA   PRO   8           HA       PRO   8   4.367 -14.088   6.298
   28   1HB   PRO   8          1HB       PRO   8   1.742 -14.711   5.839
   29   2HB   PRO   8          2HB       PRO   8   2.872 -15.816   6.643
   30   1HG   PRO   8          2HG       PRO   8   0.796 -14.034   7.821
   31   2HG   PRO   8          1HG       PRO   8   1.268 -15.673   8.287
   32   1HD   PRO   8          1HD       PRO   8   2.069 -13.425   9.619
   33   2HD   PRO   8          2HD       PRO   8   3.004 -14.935   9.586
   34    H    ASP   9           H        ASP   9   2.680 -13.465   4.316
   35    HA   ASP   9           HA       ASP   9   1.537 -10.764   4.666
   36   1HB   ASP   9          2HB       ASP   9   4.241 -11.167   3.958
   37   2HB   ASP   9          1HB       ASP   9   3.420 -10.717   2.463
   38    H    ASP  10           H        ASP  10   0.481 -13.370   3.836
   39    HA   ASP  10           HA       ASP  10   0.262 -13.632   1.002
   40   1HB   ASP  10          1HB       ASP  10  -1.698 -15.031   1.662
   41   2HB   ASP  10          2HB       ASP  10  -0.271 -15.381   2.629
   42    H    VAL  11           H        VAL  11  -1.465 -11.634   3.345
   43    HA   VAL  11           HA       VAL  11  -3.489 -10.819   1.346
   44    HB   VAL  11           HB       VAL  11  -2.965  -9.970   4.211
   45   1HG1  VAL  11          1HG2      VAL  11  -5.662  -9.847   2.967
   46   2HG1  VAL  11          2HG2      VAL  11  -4.491  -8.654   2.406
   47   3HG1  VAL  11          3HG2      VAL  11  -4.903  -8.747   4.117
   48   1HG2  VAL  11          1HG1      VAL  11  -4.652 -12.154   2.976
   49   2HG2  VAL  11          2HG1      VAL  11  -4.970 -11.527   4.594
   50   3HG2  VAL  11          3HG1      VAL  11  -3.429 -12.307   4.238
   51    HA   PRO  12           HA       PRO  12  -0.611  -7.468   0.403
   52   1HB   PRO  12          1HB       PRO  12  -1.804  -6.719  -1.945
   53   2HB   PRO  12          2HB       PRO  12  -0.676  -8.081  -1.817
   54   1HG   PRO  12          2HG       PRO  12  -3.630  -8.081  -2.041
   55   2HG   PRO  12          1HG       PRO  12  -2.451  -9.253  -2.633
   56   1HD   PRO  12          2HD       PRO  12  -4.025  -9.543  -0.358
   57   2HD   PRO  12          1HD       PRO  12  -2.561 -10.474  -0.726
   58    H    LEU  13           H        LEU  13  -3.644  -6.412  -1.089
   59    HA   LEU  13           HA       LEU  13  -4.149  -4.558   1.192
   60   1HB   LEU  13          1HB       LEU  13  -3.612  -3.879  -1.712
   61   2HB   LEU  13          2HB       LEU  13  -4.368  -2.741  -0.597
   62    HG   LEU  13           HG       LEU  13  -2.282  -3.409   0.927
   63   1HD1  LEU  13          1HD2      LEU  13  -0.503  -4.344  -0.137
   64   2HD1  LEU  13          2HD2      LEU  13  -0.769  -3.401  -1.602
   65   3HD1  LEU  13          3HD2      LEU  13  -1.695  -4.876  -1.323
   66   1HD2  LEU  13          1HD1      LEU  13  -1.031  -1.488  -0.206
   67   2HD2  LEU  13          2HD1      LEU  13  -2.678  -1.134   0.312
   68   3HD2  LEU  13          3HD1      LEU  13  -2.341  -1.459  -1.387
   69    HA   PRO  14           HA       PRO  14  -8.327  -5.558   0.243
   70   1HB   PRO  14          2HB       PRO  14  -9.626  -3.333   1.168
   71   2HB   PRO  14          1HB       PRO  14  -8.932  -4.568   2.234
   72   1HG   PRO  14          1HG       PRO  14  -7.868  -1.896   1.475
   73   2HG   PRO  14          2HG       PRO  14  -7.790  -2.741   3.026
   74   1HD   PRO  14          2HD       PRO  14  -5.706  -2.591   1.248
   75   2HD   PRO  14          1HD       PRO  14  -5.904  -3.892   2.439
   76    H    ALA  15           H        ALA  15 -10.411  -3.949  -0.580
   77    HA   ALA  15           HA       ALA  15  -9.769  -3.466  -3.368
   78   1HB   ALA  15          1HB       ALA  15 -12.029  -3.606  -3.521
   79   2HB   ALA  15          2HB       ALA  15 -12.265  -2.339  -2.318
   80   3HB   ALA  15          3HB       ALA  15 -11.997  -4.005  -1.804
   81    H    GLY  16           H        GLY  16 -10.423  -1.310  -4.405
   82   1HA   GLY  16          1HA       GLY  16 -10.145   1.009  -4.618
   83   2HA   GLY  16          2HA       GLY  16 -10.426   1.118  -2.880
   84    H    TRP  17           H        TRP  17  -7.874  -1.016  -3.681
   85    HA   TRP  17           HA       TRP  17  -5.887   1.098  -2.930
   86   1HB   TRP  17          2HB       TRP  17  -6.385  -1.748  -2.229
   87   2HB   TRP  17          1HB       TRP  17  -4.693  -1.261  -2.362
   88    HD1  TRP  17           HD       TRP  17  -7.772  -0.836  -0.232
   89    HE1  TRP  17           1HE      TRP  17  -7.174   0.556   1.863
   90    HE3  TRP  17           3HE      TRP  17  -3.084   0.678  -1.515
   91    HZ2  TRP  17           2HZ      TRP  17  -4.968   2.108   2.852
   92    HZ3  TRP  17           3HZ      TRP  17  -1.763   2.106   0.004
   93    HH2  TRP  17           HH       TRP  17  -2.683   2.821   2.178
   94    H    GLU  18           H        GLU  18  -4.064   1.352  -4.255
   95    HA   GLU  18           HA       GLU  18  -3.804  -0.564  -6.554
   96   1HB   GLU  18          1HB       GLU  18  -4.308   2.314  -6.452
   97   2HB   GLU  18          2HB       GLU  18  -2.906   1.916  -7.440
   98   1HG   GLU  18          2HG       GLU  18  -4.741   1.793  -8.936
   99   2HG   GLU  18          1HG       GLU  18  -4.387   0.116  -8.522
  100    H    MET  19           H        MET  19  -1.945  -1.645  -5.627
  101    HA   MET  19           HA       MET  19   0.305  -0.201  -4.540
  102   1HB   MET  19          1HB       MET  19   1.455  -2.381  -4.887
  103   2HB   MET  19          2HB       MET  19  -0.066  -2.570  -4.043
  104   1HG   MET  19          1HG       MET  19  -0.906  -2.838  -6.623
  105   2HG   MET  19          2HG       MET  19   0.737  -3.446  -6.770
  106   1HE   MET  19          1HE       MET  19  -1.619  -4.438  -3.220
  107   2HE   MET  19          2HE       MET  19  -2.818  -4.609  -4.499
  108   3HE   MET  19          3HE       MET  19  -1.909  -3.107  -4.349
  109    H    ALA  20           H        ALA  20   1.717   0.983  -5.691
  110    HA   ALA  20           HA       ALA  20   2.552   0.152  -8.392
  111   1HB   ALA  20          1HB       ALA  20   1.846   2.820  -8.791
  112   2HB   ALA  20          2HB       ALA  20   0.542   2.213  -7.775
  113   3HB   ALA  20          3HB       ALA  20   0.896   1.431  -9.313
  114    H    LYS  21           H        LYS  21   3.734   2.861  -8.896
  115    HA   LYS  21           HA       LYS  21   5.618   2.901  -6.575
  116   1HB   LYS  21          2HB       LYS  21   6.580   1.792  -8.530
  117   2HB   LYS  21          1HB       LYS  21   6.159   3.169  -9.546
  118   1HG   LYS  21          2HG       LYS  21   7.629   4.604  -8.100
  119   2HG   LYS  21          1HG       LYS  21   8.137   3.146  -7.249
  120   1HD   LYS  21          2HD       LYS  21   9.795   3.191  -8.839
  121   2HD   LYS  21          1HD       LYS  21   8.573   2.327  -9.773
  122   1HE   LYS  21          2HE       LYS  21   8.236   5.238  -9.921
  123   2HE   LYS  21          1HE       LYS  21   9.799   4.693 -10.558
  124   1HZ   LYS  21          1HZ       LYS  21   8.467   2.865 -11.680
  125   2HZ   LYS  21          2HZ       LYS  21   8.290   4.425 -12.327
  126   3HZ   LYS  21          3HZ       LYS  21   7.084   3.778 -11.322
  127    H    THR  22           H        THR  22   6.695   4.896  -6.134
  128    HA   THR  22           HA       THR  22   5.206   7.282  -7.209
  129    HB   THR  22           HB       THR  22   4.483   7.071  -4.993
  130    HG1  THR  22           1HG      THR  22   5.200   9.106  -5.108
  131   1HG2  THR  22          1HG2      THR  22   5.902   6.445  -3.099
  132   2HG2  THR  22          2HG2      THR  22   7.320   6.404  -4.147
  133   3HG2  THR  22          3HG2      THR  22   6.032   5.221  -4.361
  134    H    SER  23           H        SER  23   6.561   9.359  -6.555
  135    HA   SER  23           HA       SER  23   9.038   9.240  -8.043
  136   1HB   SER  23          1HB       SER  23   7.474  11.249  -6.454
  137   2HB   SER  23          2HB       SER  23   9.117  11.651  -6.952
  138    HG   SER  23           HG       SER  23   7.400  12.222  -8.461
  139    H    SER  24           H        SER  24  10.362   7.707  -6.864
  140    HA   SER  24           HA       SER  24  12.145   8.832  -4.938
  141   1HB   SER  24          2HB       SER  24   9.625   7.742  -3.961
  142   2HB   SER  24          1HB       SER  24  11.007   6.911  -3.246
  143    HG   SER  24           HG       SER  24  11.783   8.837  -2.503
  144    H    GLY  25           H        GLY  25  10.619   5.927  -6.195
  145   1HA   GLY  25          2HA       GLY  25  12.059   4.303  -7.401
  146   2HA   GLY  25          1HA       GLY  25  13.296   4.598  -6.177
  147    H    GLN  26           H        GLN  26   9.940   4.354  -5.254
  148    HA   GLN  26           HA       GLN  26  10.374   1.553  -4.302
  149   1HB   GLN  26          2HB       GLN  26   9.352   3.898  -2.666
  150   2HB   GLN  26          1HB       GLN  26   9.569   2.248  -2.085
  151   1HG   GLN  26          2HG       GLN  26  12.003   2.425  -2.639
  152   2HG   GLN  26          1HG       GLN  26  11.747   4.114  -3.074
  153   1HE2  GLN  26          1HE2      GLN  26  12.195   5.527  -1.384
  154   2HE2  GLN  26          2HE2      GLN  26  12.046   5.159   0.267
  155    H    ARG  27           H        ARG  27   8.377   0.401  -3.912
  156    HA   ARG  27           HA       ARG  27   6.166   1.301  -5.615
  157   1HB   ARG  27          1HB       ARG  27   7.147  -1.172  -4.435
  158   2HB   ARG  27          2HB       ARG  27   5.411  -1.003  -4.196
  159   1HG   ARG  27          2HG       ARG  27   5.413  -1.935  -6.313
  160   2HG   ARG  27          1HG       ARG  27   5.484  -0.219  -6.729
  161   1HD   ARG  27          2HD       ARG  27   7.702  -0.342  -7.401
  162   2HD   ARG  27          1HD       ARG  27   8.079  -1.652  -6.265
  163    HE   ARG  27           HE       ARG  27   6.175  -2.701  -8.051
  164   1HH1  ARG  27          1HH2      ARG  27   9.378  -1.348  -8.217
  165   2HH1  ARG  27          2HH2      ARG  27   9.818  -2.279  -9.607
  166   1HH2  ARG  27          1HH1      ARG  27   6.770  -3.899  -9.854
  167   2HH2  ARG  27          2HH1      ARG  27   8.354  -3.712 -10.528
  168    H    TYR  28           H        TYR  28   4.641   2.623  -4.814
  169    HA   TYR  28           HA       TYR  28   4.058   2.482  -1.892
  170   1HB   TYR  28          1HB       TYR  28   3.263   4.711  -2.058
  171   2HB   TYR  28          2HB       TYR  28   4.700   4.675  -3.063
  172    HD1  TYR  28           1HD      TYR  28   2.923   3.014  -5.298
  173    HD2  TYR  28           2HD      TYR  28   2.603   6.794  -3.277
  174    HE1  TYR  28           1HE      TYR  28   1.703   3.931  -7.212
  175    HE2  TYR  28           2HE      TYR  28   1.365   7.693  -5.206
  176    HH   TYR  28           HH       TYR  28   1.436   6.707  -8.053
  177    H    PHE  29           H        PHE  29   1.640   3.068  -1.529
  178    HA   PHE  29           HA       PHE  29   0.033   1.350  -3.358
  179   1HB   PHE  29          2HB       PHE  29   0.143   1.479  -0.321
  180   2HB   PHE  29          1HB       PHE  29  -1.048   0.537  -1.234
  181    HD1  PHE  29           1HD      PHE  29  -0.462  -1.505  -2.287
  182    HD2  PHE  29           2HD      PHE  29   2.636   0.999  -0.687
  183    HE1  PHE  29           1HE      PHE  29   1.198  -3.281  -2.747
  184    HE2  PHE  29           2HE      PHE  29   4.297  -0.786  -1.145
  185    HZ   PHE  29           HZ       PHE  29   3.578  -2.923  -2.175
  186    H    LEU  30           H        LEU  30  -0.979   2.926  -4.425
  187    HA   LEU  30           HA       LEU  30  -1.857   5.391  -3.227
  188   1HB   LEU  30          1HB       LEU  30  -1.557   4.154  -5.788
  189   2HB   LEU  30          2HB       LEU  30  -3.205   4.763  -5.686
  190    HG   LEU  30           HG       LEU  30  -0.663   6.334  -5.243
  191   1HD1  LEU  30          1HD1      LEU  30  -1.216   7.453  -7.268
  192   2HD1  LEU  30          2HD1      LEU  30  -2.841   6.767  -7.283
  193   3HD1  LEU  30          3HD1      LEU  30  -1.448   5.737  -7.605
  194   1HD2  LEU  30          1HD2      LEU  30  -2.756   6.904  -3.794
  195   2HD2  LEU  30          2HD2      LEU  30  -3.394   7.532  -5.309
  196   3HD2  LEU  30          3HD2      LEU  30  -1.904   8.192  -4.641
  197    H    ASN  31           H        ASN  31  -3.401   5.269  -1.672
  198    HA   ASN  31           HA       ASN  31  -5.530   3.282  -1.651
  199   1HB   ASN  31          1HB       ASN  31  -4.441   4.200   0.365
  200   2HB   ASN  31          2HB       ASN  31  -5.005   5.815  -0.059
  201   1HD2  ASN  31          1HD2      ASN  31  -5.647   3.932   2.286
  202   2HD2  ASN  31          2HD2      ASN  31  -7.337   3.872   2.311
  203    H    HIS  32           H        HIS  32  -7.050   3.532  -3.280
  204    HA   HIS  32           HA       HIS  32  -7.931   6.161  -4.217
  205   1HB   HIS  32          1HB       HIS  32  -8.119   3.341  -4.927
  206   2HB   HIS  32          2HB       HIS  32  -9.669   4.160  -5.128
  207    HD1  HIS  32           1HD      HIS  32  -9.777   6.125  -6.843
  208    HD2  HIS  32           2HD      HIS  32  -6.077   4.208  -6.698
  209    HE1  HIS  32           1HE      HIS  32  -8.484   6.909  -8.875
  210    H    ILE  33           H        ILE  33  -8.638   4.487  -1.424
  211    HA   ILE  33           HA       ILE  33 -11.552   5.042  -1.407
  212    HB   ILE  33           HB       ILE  33 -10.102   4.256   1.086
  213   1HG1  ILE  33          1HG1      ILE  33 -10.225   2.472  -1.363
  214   2HG1  ILE  33          2HG1      ILE  33  -8.807   2.890  -0.409
  215   1HG2  ILE  33          1HG2      ILE  33 -12.644   4.441   0.614
  216   2HG2  ILE  33          2HG2      ILE  33 -12.068   3.021   1.486
  217   3HG2  ILE  33          3HG2      ILE  33 -12.454   2.904  -0.231
  218   1HD1  ILE  33          1HD1      ILE  33 -11.123   1.138   0.448
  219   2HD1  ILE  33          2HD1      ILE  33  -9.877   1.715   1.553
  220   3HD1  ILE  33          3HD1      ILE  33  -9.444   0.652   0.214
  221    H    ASP  34           H        ASP  34  -8.794   5.806   0.698
  222    HA   ASP  34           HA       ASP  34 -10.155   8.321   1.552
  223   1HB   ASP  34          2HB       ASP  34  -7.871   6.608   2.526
  224   2HB   ASP  34          1HB       ASP  34  -8.087   8.245   3.144
  225    H    GLN  35           H        GLN  35  -8.530   7.678  -1.090
  226    HA   GLN  35           HA       GLN  35  -6.975   8.804  -2.468
  227   1HB   GLN  35          2HB       GLN  35  -7.955  11.119  -0.771
  228   2HB   GLN  35          1HB       GLN  35  -7.312  11.216  -2.410
  229   1HG   GLN  35          2HG       GLN  35  -9.223   9.569  -3.028
  230   2HG   GLN  35          1HG       GLN  35  -9.934  10.045  -1.486
  231   1HE2  GLN  35          1HE2      GLN  35 -11.361  11.770  -1.698
  232   2HE2  GLN  35          2HE2      GLN  35 -11.243  13.001  -2.860
  233    H    THR  36           H        THR  36  -5.303   7.592  -0.989
  234    HA   THR  36           HA       THR  36  -3.378   9.647  -0.010
  235    HB   THR  36           HB       THR  36  -3.113   7.950   2.008
  236    HG1  THR  36           1HG      THR  36  -5.845   7.644   1.352
  237   1HG2  THR  36          1HG2      THR  36  -3.776  10.296   2.245
  238   2HG2  THR  36          2HG2      THR  36  -4.781   9.277   3.275
  239   3HG2  THR  36          3HG2      THR  36  -5.421   9.898   1.752
  240    H    THR  37           H        THR  37  -1.230   8.406   0.601
  241    HA   THR  37           HA       THR  37  -0.895   5.982  -1.122
  242    HB   THR  37           HB       THR  37   1.087   6.987  -2.119
  243    HG1  THR  37           1HG      THR  37   0.474   9.318  -0.643
  244   1HG2  THR  37          1HG2      THR  37  -0.638   9.332  -2.429
  245   2HG2  THR  37          2HG2      THR  37  -1.499   7.805  -2.615
  246   3HG2  THR  37          3HG2      THR  37  -0.106   8.161  -3.634
  247    H    THR  38           H        THR  38   0.080   4.418   0.092
  248    HA   THR  38           HA       THR  38   1.962   5.323   2.259
  249    HB   THR  38           HB       THR  38  -0.228   4.382   3.043
  250    HG1  THR  38           1HG      THR  38   1.662   4.109   4.284
  251   1HG2  THR  38          1HG2      THR  38   0.720   1.725   1.989
  252   2HG2  THR  38          2HG2      THR  38  -0.305   2.778   1.019
  253   3HG2  THR  38          3HG2      THR  38  -0.886   2.172   2.568
  254    H    TRP  39           H        TRP  39   3.827   3.902   2.574
  255    HA   TRP  39           HA       TRP  39   4.655   2.584   0.055
  256   1HB   TRP  39          2HB       TRP  39   6.219   2.835   2.639
  257   2HB   TRP  39          1HB       TRP  39   6.853   2.680   1.006
  258    HD1  TRP  39           HD       TRP  39   5.143   5.204   3.328
  259    HE1  TRP  39           1HE      TRP  39   5.620   7.582   2.459
  260    HE3  TRP  39           3HE      TRP  39   7.485   4.105  -1.094
  261    HZ2  TRP  39           2HZ      TRP  39   6.831   8.849   0.222
  262    HZ3  TRP  39           3HZ      TRP  39   8.300   5.923  -2.555
  263    HH2  TRP  39           HH       TRP  39   7.971   8.294  -1.911
  264    H    GLN  40           H        GLN  40   4.188   1.742   3.492
  265    HA   GLN  40           HA       GLN  40   3.312  -0.942   2.899
  266   1HB   GLN  40          2HB       GLN  40   6.075  -0.476   2.717
  267   2HB   GLN  40          1HB       GLN  40   5.855  -1.260   4.282
  268   1HG   GLN  40          1HG       GLN  40   4.299  -2.437   2.057
  269   2HG   GLN  40          2HG       GLN  40   6.049  -2.613   1.920
  270   1HE2  GLN  40          1HE2      GLN  40   3.216  -3.679   3.672
  271   2HE2  GLN  40          2HE2      GLN  40   4.020  -4.757   4.710
  272    H    ASP  41           H        ASP  41   1.901  -1.162   4.598
  273    HA   ASP  41           HA       ASP  41   2.767  -1.233   7.335
  274   1HB   ASP  41          2HB       ASP  41   2.207   1.352   6.181
  275   2HB   ASP  41          1HB       ASP  41   1.033   1.011   7.452
  276    HA   PRO  42           HA       PRO  42  -2.000  -1.444   7.289
  277   1HB   PRO  42          1HB       PRO  42  -3.335  -0.771   4.996
  278   2HB   PRO  42          2HB       PRO  42  -2.940   0.402   6.267
  279   1HG   PRO  42          2HG       PRO  42  -1.573  -0.119   3.670
  280   2HG   PRO  42          1HG       PRO  42  -1.896   1.420   4.483
  281   1HD   PRO  42          1HD       PRO  42   0.533   0.184   4.515
  282   2HD   PRO  42          2HD       PRO  42  -0.038   1.248   5.816
  283    H    ARG  43           H        ARG  43  -2.762  -3.525   7.063
  284    HA   ARG  43           HA       ARG  43  -2.970  -5.718   6.202
  285   1HB   ARG  43          2HB       ARG  43  -3.877  -3.810   4.385
  286   2HB   ARG  43          1HB       ARG  43  -2.844  -4.855   3.409
  287   1HG   ARG  43          2HG       ARG  43  -4.570  -6.305   3.316
  288   2HG   ARG  43          1HG       ARG  43  -4.295  -6.618   5.030
  289   1HD   ARG  43          2HD       ARG  43  -5.740  -4.160   4.838
  290   2HD   ARG  43          1HD       ARG  43  -6.565  -5.355   3.821
  291    HE   ARG  43           HE       ARG  43  -6.266  -5.489   6.729
  292   1HH1  ARG  43          1HH2      ARG  43  -6.658  -7.302   3.783
  293   2HH1  ARG  43          2HH2      ARG  43  -7.359  -8.664   4.584
  294   1HH2  ARG  43          1HH1      ARG  43  -7.179  -7.270   7.746
  295   2HH2  ARG  43          2HH1      ARG  43  -7.653  -8.648   6.811
  296    H    LYS  44           H        LYS  44  -0.632  -6.015   6.928
  297    HA   LYS  44           HA       LYS  44   1.532  -5.764   5.020
  298   1HB   LYS  44          2HB       LYS  44   1.039  -6.589   7.761
  299   2HB   LYS  44          1HB       LYS  44   2.170  -7.687   6.972
  300   1HG   LYS  44          1HG       LYS  44   3.629  -5.860   6.368
  301   2HG   LYS  44          2HG       LYS  44   2.444  -4.670   6.903
  302   1HD   LYS  44          2HD       LYS  44   2.880  -6.434   9.085
  303   2HD   LYS  44          1HD       LYS  44   4.469  -6.006   8.450
  304   1HE   LYS  44          2HE       LYS  44   4.222  -4.106   9.703
  305   2HE   LYS  44          1HE       LYS  44   3.132  -3.578   8.406
  306   1HZ   LYS  44          1HZ       LYS  44   2.253  -5.309  10.653
  307   2HZ   LYS  44          2HZ       LYS  44   1.278  -4.484   9.533
  308   3HZ   LYS  44          3HZ       LYS  44   2.140  -3.618  10.713
  309   1H    ACE  45          1H        ACE  45   8.982  11.708   6.488
  310   2H    ACE  45          2H        ACE  45   9.560  12.194   4.894
  311   3H    ACE  45          3H        ACE  45  10.415  10.945   5.798
  312    HA   PRO  46           HA       PRO  46   7.820  11.927   3.105
  313   1HB   PRO  46          2HB       PRO  46   8.509  11.139   0.578
  314   2HB   PRO  46          1HB       PRO  46   9.615  12.022   1.649
  315   1HG   PRO  46          2HG       PRO  46   9.502   9.117   1.025
  316   2HG   PRO  46          1HG       PRO  46  10.907  10.170   1.257
  317   1HD   PRO  46          2HD       PRO  46   9.986   8.457   3.163
  318   2HD   PRO  46          1HD       PRO  46  10.856   9.961   3.532
  319    H    LEU  47           H        LEU  47   6.249  11.829   1.076
  320    HA   LEU  47           HA       LEU  47   4.936   9.332   0.457
  321   1HB   LEU  47          2HB       LEU  47   4.453   9.932   2.962
  322   2HB   LEU  47          1HB       LEU  47   3.339  11.117   2.282
  323    HG   LEU  47           HG       LEU  47   2.769   8.830   0.828
  324   1HD1  LEU  47          1HD1      LEU  47   3.957   8.099   3.407
  325   2HD1  LEU  47          2HD1      LEU  47   3.603   7.086   2.008
  326   3HD1  LEU  47          3HD1      LEU  47   2.337   7.439   3.184
  327   1HD2  LEU  47          1HD2      LEU  47   0.854   9.872   1.486
  328   2HD2  LEU  47          2HD2      LEU  47   1.558  10.401   3.013
  329   3HD2  LEU  47          3HD2      LEU  47   0.923   8.763   2.854
  330    HA   PRO  48           HA       PRO  48   3.676  12.341  -2.599
  331   1HB   PRO  48          2HB       PRO  48   2.224  10.644  -4.186
  332   2HB   PRO  48          1HB       PRO  48   3.996  10.707  -4.201
  333   1HG   PRO  48          2HG       PRO  48   2.173   8.776  -2.848
  334   2HG   PRO  48          1HG       PRO  48   3.705   8.482  -3.684
  335   1HD   PRO  48          1HD       PRO  48   3.467   8.594  -0.970
  336   2HD   PRO  48          2HD       PRO  48   4.956   9.017  -1.839
  337    HA   PRO  49           HA       PRO  49  -0.351  13.236  -0.922
  338   1HB   PRO  49          1HB       PRO  49  -0.946  15.402  -2.481
  339   2HB   PRO  49          2HB       PRO  49   0.190  15.474  -1.121
  340   1HG   PRO  49          2HG       PRO  49   0.730  15.298  -4.043
  341   2HG   PRO  49          1HG       PRO  49   1.594  16.196  -2.790
  342   1HD   PRO  49          1HD       PRO  49   2.447  13.810  -3.847
  343   2HD   PRO  49          2HD       PRO  49   2.894  14.401  -2.234
  344    H    TYR  50           H        TYR  50  -2.466  12.654  -1.499
  345    HA   TYR  50           HA       TYR  50  -3.111  12.281  -4.384
  346   1HB   TYR  50          2HB       TYR  50  -2.095  10.193  -3.375
  347   2HB   TYR  50          1HB       TYR  50  -3.471  10.133  -2.272
  348    HD1  TYR  50           1HD      TYR  50  -5.093   8.591  -2.916
  349    HD2  TYR  50           2HD      TYR  50  -3.001  10.813  -5.938
  350    HE1  TYR  50           1HE      TYR  50  -6.452   7.486  -4.669
  351    HE2  TYR  50           2HE      TYR  50  -4.361   9.707  -7.692
  352    HH   TYR  50           HH       TYR  50  -5.746   7.920  -8.087
  Start of MODEL   20
    1    H    PHE   5           H        PHE   5   2.436  -9.498   9.841
    2    HA   PHE   5           HA       PHE   5   1.349 -11.472   9.125
    3   1HB   PHE   5          2HB       PHE   5   0.765  -9.253   7.286
    4   2HB   PHE   5          1HB       PHE   5   0.504 -10.842   6.567
    5    HD1  PHE   5           1HD      PHE   5   0.072  -9.518  10.053
    6    HD2  PHE   5           2HD      PHE   5  -1.764 -11.383   6.647
    7    HE1  PHE   5           1HE      PHE   5  -2.047  -9.745  11.320
    8    HE2  PHE   5           2HE      PHE   5  -3.884 -11.611   7.915
    9    HZ   PHE   5           HZ       PHE   5  -4.024 -10.792  10.253
   10    H    GLU   6           H        GLU   6   1.184 -12.669   6.609
   11    HA   GLU   6           HA       GLU   6   3.918 -12.821   5.478
   12   1HB   GLU   6          2HB       GLU   6   3.407 -14.326   7.630
   13   2HB   GLU   6          1HB       GLU   6   2.687 -15.381   6.414
   14   1HG   GLU   6          1HG       GLU   6   4.712 -15.815   5.396
   15   2HG   GLU   6          2HG       GLU   6   5.384 -14.242   5.827
   16    H    ILE   7           H        ILE   7   1.551 -11.961   4.215
   17    HA   ILE   7           HA       ILE   7   0.226 -12.381   2.303
   18    HB   ILE   7           HB       ILE   7   2.393 -14.476   1.933
   19   1HG1  ILE   7          2HG1      ILE   7   3.317 -12.232   2.383
   20   2HG1  ILE   7          1HG1      ILE   7   3.579 -12.690   0.701
   21   1HG2  ILE   7          1HG2      ILE   7   1.918 -13.884  -0.521
   22   2HG2  ILE   7          2HG2      ILE   7   0.437 -13.127   0.065
   23   3HG2  ILE   7          3HG2      ILE   7   0.699 -14.855   0.304
   24   1HD1  ILE   7          1HD1      ILE   7   2.091 -10.445   1.764
   25   2HD1  ILE   7          2HD1      ILE   7   1.046 -11.453   0.763
   26   3HD1  ILE   7          3HD1      ILE   7   2.535 -10.788   0.092
   27    HA   PRO   8           HA       PRO   8  -1.957 -15.888   4.239
   28   1HB   PRO   8          2HB       PRO   8  -4.471 -14.915   3.743
   29   2HB   PRO   8          1HB       PRO   8  -3.505 -14.447   5.153
   30   1HG   PRO   8          2HG       PRO   8  -3.973 -12.983   2.604
   31   2HG   PRO   8          1HG       PRO   8  -3.839 -12.362   4.253
   32   1HD   PRO   8          1HD       PRO   8  -1.825 -12.241   2.399
   33   2HD   PRO   8          2HD       PRO   8  -1.558 -12.251   4.154
   34    H    ASP   9           H        ASP   9  -4.176 -14.693   1.757
   35    HA   ASP   9           HA       ASP   9  -3.887 -17.260   0.312
   36   1HB   ASP   9          2HB       ASP   9  -5.971 -15.547   0.999
   37   2HB   ASP   9          1HB       ASP   9  -5.755 -15.260  -0.727
   38    H    ASP  10           H        ASP  10  -4.178 -13.837  -0.731
   39    HA   ASP  10           HA       ASP  10  -1.774 -13.925  -2.354
   40   1HB   ASP  10          2HB       ASP  10  -3.592 -15.445  -3.453
   41   2HB   ASP  10          1HB       ASP  10  -4.355 -13.924  -3.911
   42    H    VAL  11           H        VAL  11  -5.062 -12.495  -2.583
   43    HA   VAL  11           HA       VAL  11  -4.333  -9.937  -3.481
   44    HB   VAL  11           HB       VAL  11  -6.523 -10.836  -1.585
   45   1HG1  VAL  11          1HG2      VAL  11  -7.507  -8.706  -3.014
   46   2HG1  VAL  11          2HG2      VAL  11  -5.835  -8.212  -2.744
   47   3HG1  VAL  11          3HG2      VAL  11  -6.872  -8.597  -1.371
   48   1HG2  VAL  11          1HG1      VAL  11  -7.849 -10.718  -3.770
   49   2HG2  VAL  11          2HG1      VAL  11  -6.687 -12.038  -3.644
   50   3HG2  VAL  11          3HG1      VAL  11  -6.294 -10.606  -4.593
   51    HA   PRO  12           HA       PRO  12  -2.093  -8.735   0.240
   52   1HB   PRO  12          1HB       PRO  12  -1.026  -6.431  -0.790
   53   2HB   PRO  12          2HB       PRO  12  -0.347  -8.040  -1.093
   54   1HG   PRO  12          2HG       PRO  12  -2.030  -6.330  -2.844
   55   2HG   PRO  12          1HG       PRO  12  -0.716  -7.433  -3.268
   56   1HD   PRO  12          2HD       PRO  12  -3.400  -8.000  -3.552
   57   2HD   PRO  12          1HD       PRO  12  -2.118  -9.219  -3.433
   58    H    LEU  13           H        LEU  13  -2.823  -5.611  -1.249
   59    HA   LEU  13           HA       LEU  13  -4.199  -4.707   1.149
   60   1HB   LEU  13          2HB       LEU  13  -3.509  -3.613  -1.572
   61   2HB   LEU  13          1HB       LEU  13  -4.560  -2.698  -0.490
   62    HG   LEU  13           HG       LEU  13  -2.752  -3.014   1.295
   63   1HD1  LEU  13          1HD1      LEU  13  -1.282  -4.646   0.596
   64   2HD1  LEU  13          2HD1      LEU  13  -0.445  -3.237  -0.057
   65   3HD1  LEU  13          3HD1      LEU  13  -1.460  -4.225  -1.107
   66   1HD2  LEU  13          1HD2      LEU  13  -2.471  -1.353  -1.193
   67   2HD2  LEU  13          2HD2      LEU  13  -1.211  -1.291   0.038
   68   3HD2  LEU  13          3HD2      LEU  13  -2.866  -0.841   0.448
   69    HA   PRO  14           HA       PRO  14  -8.340  -5.632   0.000
   70   1HB   PRO  14          2HB       PRO  14  -9.712  -3.441   0.897
   71   2HB   PRO  14          1HB       PRO  14  -9.040  -4.676   1.979
   72   1HG   PRO  14          1HG       PRO  14  -7.981  -1.981   1.279
   73   2HG   PRO  14          2HG       PRO  14  -7.971  -2.827   2.832
   74   1HD   PRO  14          2HD       PRO  14  -5.799  -2.652   1.177
   75   2HD   PRO  14          1HD       PRO  14  -6.056  -3.976   2.332
   76    H    ALA  15           H        ALA  15 -10.406  -4.191  -0.969
   77    HA   ALA  15           HA       ALA  15  -9.607  -3.545  -3.677
   78   1HB   ALA  15          1HB       ALA  15 -11.752  -4.562  -3.110
   79   2HB   ALA  15          2HB       ALA  15 -12.048  -2.990  -3.850
   80   3HB   ALA  15          3HB       ALA  15 -12.175  -3.179  -2.101
   81    H    GLY  16           H        GLY  16 -10.364  -1.390  -4.676
   82   1HA   GLY  16          1HA       GLY  16 -10.273   0.954  -4.768
   83   2HA   GLY  16          2HA       GLY  16 -10.574   0.964  -3.031
   84    H    TRP  17           H        TRP  17  -7.886  -0.978  -3.807
   85    HA   TRP  17           HA       TRP  17  -6.053   1.232  -2.965
   86   1HB   TRP  17          1HB       TRP  17  -6.382  -1.660  -2.401
   87   2HB   TRP  17          2HB       TRP  17  -4.715  -1.090  -2.525
   88    HD1  TRP  17           HD       TRP  17  -7.776  -0.922  -0.343
   89    HE1  TRP  17           1HE      TRP  17  -7.230   0.430   1.791
   90    HE3  TRP  17           3HE      TRP  17  -3.220   0.932  -1.642
   91    HZ2  TRP  17           2HZ      TRP  17  -5.112   2.088   2.803
   92    HZ3  TRP  17           3HZ      TRP  17  -1.964   2.391  -0.098
   93    HH2  TRP  17           HH       TRP  17  -2.889   2.972   2.117
   94    H    GLU  18           H        GLU  18  -3.959   1.362  -4.026
   95    HA   GLU  18           HA       GLU  18  -3.762  -0.161  -6.601
   96   1HB   GLU  18          1HB       GLU  18  -4.355   2.578  -6.214
   97   2HB   GLU  18          2HB       GLU  18  -2.700   2.518  -6.797
   98   1HG   GLU  18          2HG       GLU  18  -4.939   0.978  -8.112
   99   2HG   GLU  18          1HG       GLU  18  -4.492   2.615  -8.598
  100    H    MET  19           H        MET  19  -2.077  -1.470  -5.381
  101    HA   MET  19           HA       MET  19   0.277  -0.229  -4.305
  102   1HB   MET  19          1HB       MET  19   1.272  -2.484  -4.719
  103   2HB   MET  19          2HB       MET  19  -0.231  -2.558  -3.826
  104   1HG   MET  19          1HG       MET  19  -1.143  -2.723  -6.406
  105   2HG   MET  19          2HG       MET  19   0.421  -3.511  -6.557
  106   1HE   MET  19          1HE       MET  19  -2.118  -2.867  -4.071
  107   2HE   MET  19          2HE       MET  19  -2.004  -4.239  -2.975
  108   3HE   MET  19          3HE       MET  19  -3.221  -4.237  -4.248
  109    H    ALA  20           H        ALA  20   1.685   0.943  -5.463
  110    HA   ALA  20           HA       ALA  20   2.467   0.084  -8.178
  111   1HB   ALA  20          1HB       ALA  20   0.825   2.501  -7.437
  112   2HB   ALA  20          2HB       ALA  20   0.579   1.362  -8.753
  113   3HB   ALA  20          3HB       ALA  20   1.857   2.562  -8.866
  114    H    LYS  21           H        LYS  21   3.290   3.321  -7.978
  115    HA   LYS  21           HA       LYS  21   5.425   3.037  -5.994
  116   1HB   LYS  21          1HB       LYS  21   7.220   3.209  -7.731
  117   2HB   LYS  21          2HB       LYS  21   6.292   1.712  -7.838
  118   1HG   LYS  21          1HG       LYS  21   5.546   2.232  -9.904
  119   2HG   LYS  21          2HG       LYS  21   5.054   3.845  -9.386
  120   1HD   LYS  21          1HD       LYS  21   7.207   4.752  -9.801
  121   2HD   LYS  21          2HD       LYS  21   7.954   3.155  -9.878
  122   1HE   LYS  21          1HE       LYS  21   6.516   2.702 -11.933
  123   2HE   LYS  21          2HE       LYS  21   6.088   4.424 -11.910
  124   1HZ   LYS  21          1HZ       LYS  21   8.499   4.917 -11.829
  125   2HZ   LYS  21          2HZ       LYS  21   8.041   4.129 -13.263
  126   3HZ   LYS  21          3HZ       LYS  21   8.827   3.265 -12.030
  127    H    THR  22           H        THR  22   6.758   4.924  -5.784
  128    HA   THR  22           HA       THR  22   5.847   7.386  -7.186
  129    HB   THR  22           HB       THR  22   4.402   7.119  -5.215
  130    HG1  THR  22           1HG      THR  22   4.843   9.206  -5.482
  131   1HG2  THR  22          1HG2      THR  22   5.157   6.526  -3.125
  132   2HG2  THR  22          2HG2      THR  22   6.689   7.375  -3.334
  133   3HG2  THR  22          3HG2      THR  22   6.454   5.790  -4.071
  134    H    SER  23           H        SER  23   7.202   9.159  -5.465
  135    HA   SER  23           HA       SER  23   9.381  10.079  -5.254
  136   1HB   SER  23          2HB       SER  23  10.204   7.280  -4.520
  137   2HB   SER  23          1HB       SER  23  10.632   8.801  -3.737
  138    HG   SER  23           HG       SER  23   8.327   8.940  -3.206
  139    H    SER  24           H        SER  24  11.844   8.376  -5.554
  140    HA   SER  24           HA       SER  24  11.960   8.446  -8.530
  141   1HB   SER  24          1HB       SER  24  13.562   9.802  -7.287
  142   2HB   SER  24          2HB       SER  24  14.055   8.400  -6.337
  143    HG   SER  24           HG       SER  24  14.361   8.774  -9.130
  144    H    GLY  25           H        GLY  25  11.796   6.201  -5.928
  145   1HA   GLY  25          2HA       GLY  25  11.801   3.925  -7.643
  146   2HA   GLY  25          1HA       GLY  25  13.396   4.068  -6.907
  147    H    GLN  26           H        GLN  26   9.968   3.572  -6.239
  148    HA   GLN  26           HA       GLN  26  10.488   1.841  -3.996
  149   1HB   GLN  26          1HB       GLN  26  10.915   4.468  -3.401
  150   2HB   GLN  26          2HB       GLN  26   9.202   4.327  -3.010
  151   1HG   GLN  26          1HG       GLN  26  10.534   3.797  -1.028
  152   2HG   GLN  26          2HG       GLN  26   9.725   2.337  -1.599
  153   1HE2  GLN  26          1HE2      GLN  26  12.874   3.970  -1.395
  154   2HE2  GLN  26          2HE2      GLN  26  13.802   2.604  -1.790
  155    H    ARG  27           H        ARG  27   8.627   0.602  -3.737
  156    HA   ARG  27           HA       ARG  27   6.287   1.190  -5.344
  157   1HB   ARG  27          1HB       ARG  27   7.230  -0.932  -3.488
  158   2HB   ARG  27          2HB       ARG  27   5.480  -0.765  -3.624
  159   1HG   ARG  27          2HG       ARG  27   6.085  -2.285  -5.350
  160   2HG   ARG  27          1HG       ARG  27   5.833  -0.737  -6.162
  161   1HD   ARG  27          2HD       ARG  27   8.003  -0.666  -6.841
  162   2HD   ARG  27          1HD       ARG  27   8.589  -1.043  -5.210
  163    HE   ARG  27           HE       ARG  27   7.365  -3.376  -6.346
  164   1HH1  ARG  27          1HH2      ARG  27  10.196  -1.369  -6.627
  165   2HH1  ARG  27          2HH2      ARG  27  11.188  -2.659  -7.213
  166   1HH2  ARG  27          1HH1      ARG  27   8.673  -5.034  -7.109
  167   2HH2  ARG  27          2HH1      ARG  27  10.335  -4.719  -7.484
  168    H    TYR  28           H        TYR  28   4.372   2.067  -4.724
  169    HA   TYR  28           HA       TYR  28   3.970   2.635  -1.834
  170   1HB   TYR  28          1HB       TYR  28   3.609   4.908  -2.147
  171   2HB   TYR  28          2HB       TYR  28   4.869   4.610  -3.327
  172    HD1  TYR  28           1HD      TYR  28   3.025   3.196  -5.398
  173    HD2  TYR  28           2HD      TYR  28   2.642   6.842  -3.175
  174    HE1  TYR  28           1HE      TYR  28   1.665   4.157  -7.216
  175    HE2  TYR  28           2HE      TYR  28   1.256   7.792  -4.986
  176    HH   TYR  28           HH       TYR  28   1.213   7.097  -7.796
  177    H    PHE  29           H        PHE  29   1.654   3.231  -1.453
  178    HA   PHE  29           HA       PHE  29  -0.021   1.576  -3.285
  179   1HB   PHE  29          2HB       PHE  29   0.082   1.776  -0.261
  180   2HB   PHE  29          1HB       PHE  29  -1.146   0.861  -1.148
  181    HD1  PHE  29           1HD      PHE  29  -0.674  -1.285  -1.985
  182    HD2  PHE  29           2HD      PHE  29   2.591   1.230  -0.781
  183    HE1  PHE  29           1HE      PHE  29   0.907  -3.152  -2.379
  184    HE2  PHE  29           2HE      PHE  29   4.166  -0.639  -1.171
  185    HZ   PHE  29           HZ       PHE  29   3.325  -2.829  -1.972
  186    H    LEU  30           H        LEU  30  -1.076   3.022  -4.396
  187    HA   LEU  30           HA       LEU  30  -2.080   5.553  -3.380
  188   1HB   LEU  30          1HB       LEU  30  -1.368   4.400  -5.772
  189   2HB   LEU  30          2HB       LEU  30  -3.117   4.342  -5.880
  190    HG   LEU  30           HG       LEU  30  -3.287   6.731  -5.616
  191   1HD1  LEU  30          1HD2      LEU  30  -1.760   7.881  -4.455
  192   2HD1  LEU  30          2HD2      LEU  30  -0.567   7.572  -5.712
  193   3HD1  LEU  30          3HD2      LEU  30  -0.729   6.454  -4.359
  194   1HD2  LEU  30          1HD1      LEU  30  -2.907   6.380  -7.863
  195   2HD2  LEU  30          2HD1      LEU  30  -1.343   5.614  -7.580
  196   3HD2  LEU  30          3HD1      LEU  30  -1.496   7.368  -7.487
  197    H    ASN  31           H        ASN  31  -3.712   5.397  -1.870
  198    HA   ASN  31           HA       ASN  31  -5.761   3.289  -2.048
  199   1HB   ASN  31          1HB       ASN  31  -4.701   4.065   0.077
  200   2HB   ASN  31          2HB       ASN  31  -5.416   5.656  -0.177
  201   1HD2  ASN  31          1HD2      ASN  31  -5.981   3.888   2.075
  202   2HD2  ASN  31          2HD2      ASN  31  -7.621   3.480   1.988
  203    H    HIS  32           H        HIS  32  -7.398   3.625  -3.507
  204    HA   HIS  32           HA       HIS  32  -8.233   6.292  -4.362
  205   1HB   HIS  32          2HB       HIS  32  -9.563   3.595  -4.771
  206   2HB   HIS  32          1HB       HIS  32  -9.771   5.037  -5.758
  207    HD1  HIS  32           1HD      HIS  32  -8.701   2.285  -6.867
  208    HD2  HIS  32           2HD      HIS  32  -6.335   5.538  -5.802
  209    HE1  HIS  32           1HE      HIS  32  -6.544   2.056  -8.169
  210    H    ILE  33           H        ILE  33  -9.077   4.169  -1.783
  211    HA   ILE  33           HA       ILE  33 -11.823   5.185  -1.446
  212    HB   ILE  33           HB       ILE  33 -10.424   3.851   0.829
  213   1HG1  ILE  33          2HG1      ILE  33 -10.863   2.467  -1.834
  214   2HG1  ILE  33          1HG1      ILE  33  -9.380   2.535  -0.886
  215   1HG2  ILE  33          1HG2      ILE  33 -12.535   3.069   1.271
  216   2HG2  ILE  33          2HG2      ILE  33 -12.920   2.828  -0.433
  217   3HG2  ILE  33          3HG2      ILE  33 -12.984   4.446   0.265
  218   1HD1  ILE  33          1HD1      ILE  33 -11.109   1.407   0.914
  219   2HD1  ILE  33          2HD1      ILE  33 -10.016   0.494  -0.125
  220   3HD1  ILE  33          3HD1      ILE  33 -11.695   0.731  -0.605
  221    H    ASP  34           H        ASP  34  -8.998   5.172   0.704
  222    HA   ASP  34           HA       ASP  34  -9.915   7.557   2.127
  223   1HB   ASP  34          1HB       ASP  34  -7.296   6.018   2.126
  224   2HB   ASP  34          2HB       ASP  34  -7.769   7.215   3.333
  225    H    GLN  35           H        GLN  35  -8.482   7.168  -0.887
  226    HA   GLN  35           HA       GLN  35  -7.290   8.626  -2.305
  227   1HB   GLN  35          1HB       GLN  35  -8.377  10.624  -0.293
  228   2HB   GLN  35          2HB       GLN  35  -7.889  10.977  -1.950
  229   1HG   GLN  35          2HG       GLN  35  -9.706   8.830  -2.134
  230   2HG   GLN  35          1HG       GLN  35 -10.417   9.958  -0.980
  231   1HE2  GLN  35          1HE2      GLN  35  -9.392   9.575  -4.346
  232   2HE2  GLN  35          2HE2      GLN  35 -10.097  11.010  -4.912
  233    H    THR  36           H        THR  36  -5.364   7.480  -1.063
  234    HA   THR  36           HA       THR  36  -3.531   9.650  -0.223
  235    HB   THR  36           HB       THR  36  -3.729   7.365   1.683
  236    HG1  THR  36           1HG      THR  36  -5.810   7.765   1.819
  237   1HG2  THR  36          1HG2      THR  36  -2.825  10.172   1.605
  238   2HG2  THR  36          2HG2      THR  36  -2.201   8.811   2.536
  239   3HG2  THR  36          3HG2      THR  36  -3.618   9.694   3.106
  240    H    THR  37           H        THR  37  -1.360   8.432   0.569
  241    HA   THR  37           HA       THR  37  -0.883   6.056  -1.194
  242    HB   THR  37           HB       THR  37   1.099   7.103  -2.079
  243    HG1  THR  37           1HG      THR  37   1.419   9.392  -1.280
  244   1HG2  THR  37          1HG2      THR  37  -1.421   8.059  -2.595
  245   2HG2  THR  37          2HG2      THR  37   0.026   8.494  -3.506
  246   3HG2  THR  37          3HG2      THR  37  -0.546   9.538  -2.206
  247    H    THR  38           H        THR  38  -0.298   4.500   0.314
  248    HA   THR  38           HA       THR  38   1.620   5.359   2.463
  249    HB   THR  38           HB       THR  38  -0.668   4.486   3.123
  250    HG1  THR  38           1HG      THR  38   0.251   2.955   4.623
  251   1HG2  THR  38          1HG2      THR  38  -1.238   2.204   2.782
  252   2HG2  THR  38          2HG2      THR  38   0.389   1.800   2.236
  253   3HG2  THR  38          3HG2      THR  38  -0.664   2.777   1.218
  254    H    TRP  39           H        TRP  39   3.627   4.348   2.464
  255    HA   TRP  39           HA       TRP  39   4.494   2.882   0.156
  256   1HB   TRP  39          1HB       TRP  39   5.780   2.816   2.900
  257   2HB   TRP  39          2HB       TRP  39   6.578   2.708   1.337
  258    HD1  TRP  39           HD       TRP  39   5.285   5.162   3.877
  259    HE1  TRP  39           1HE      TRP  39   5.906   7.558   3.161
  260    HE3  TRP  39           3HE      TRP  39   6.951   4.292  -0.896
  261    HZ2  TRP  39           2HZ      TRP  39   6.974   8.915   0.908
  262    HZ3  TRP  39           3HZ      TRP  39   7.774   6.158  -2.280
  263    HH2  TRP  39           HH       TRP  39   7.783   8.472  -1.394
  264    H    GLN  40           H        GLN  40   3.599   1.827   3.443
  265    HA   GLN  40           HA       GLN  40   2.617  -0.732   2.539
  266   1HB   GLN  40          2HB       GLN  40   5.470  -0.382   3.074
  267   2HB   GLN  40          1HB       GLN  40   4.764  -1.657   4.065
  268   1HG   GLN  40          1HG       GLN  40   4.426  -3.018   2.277
  269   2HG   GLN  40          2HG       GLN  40   3.874  -1.690   1.257
  270   1HE2  GLN  40          1HE2      GLN  40   5.582  -0.338   0.213
  271   2HE2  GLN  40          2HE2      GLN  40   7.131  -0.984  -0.038
  272    H    ASP  41           H        ASP  41   1.609  -1.862   4.282
  273    HA   ASP  41           HA       ASP  41   2.098  -1.347   7.064
  274   1HB   ASP  41          1HB       ASP  41   0.554   0.607   5.578
  275   2HB   ASP  41          2HB       ASP  41  -0.428  -0.110   6.855
  276    HA   PRO  42           HA       PRO  42  -2.047  -3.667   6.694
  277   1HB   PRO  42          1HB       PRO  42  -3.271  -3.819   4.244
  278   2HB   PRO  42          2HB       PRO  42  -3.587  -2.525   5.415
  279   1HG   PRO  42          2HG       PRO  42  -1.867  -2.507   2.982
  280   2HG   PRO  42          1HG       PRO  42  -2.907  -1.238   3.638
  281   1HD   PRO  42          1HD       PRO  42  -0.192  -1.286   3.937
  282   2HD   PRO  42          2HD       PRO  42  -1.295  -0.486   5.074
  283    H    ARG  43           H        ARG  43  -1.598  -4.385   3.260
  284    HA   ARG  43           HA       ARG  43  -0.253  -6.944   4.057
  285   1HB   ARG  43          1HB       ARG  43  -2.457  -6.189   2.192
  286   2HB   ARG  43          2HB       ARG  43  -1.396  -7.504   1.684
  287   1HG   ARG  43          2HG       ARG  43  -2.818  -8.784   2.932
  288   2HG   ARG  43          1HG       ARG  43  -1.836  -8.203   4.277
  289   1HD   ARG  43          1HD       ARG  43  -3.422  -6.472   4.801
  290   2HD   ARG  43          2HD       ARG  43  -4.305  -6.737   3.285
  291    HE   ARG  43           HE       ARG  43  -4.143  -9.198   4.766
  292   1HH1  ARG  43          1HH2      ARG  43  -5.729  -6.100   4.757
  293   2HH1  ARG  43          2HH2      ARG  43  -7.130  -6.690   5.579
  294   1HH2  ARG  43          1HH1      ARG  43  -5.972  -9.942   5.833
  295   2HH2  ARG  43          2HH1      ARG  43  -7.270  -8.850   6.185
  296    H    LYS  44           H        LYS  44   1.379  -7.739   2.569
  297    HA   LYS  44           HA       LYS  44   3.267  -7.440   1.177
  298   1HB   LYS  44          1HB       LYS  44   0.859  -6.665  -0.129
  299   2HB   LYS  44          2HB       LYS  44   2.104  -5.514  -0.616
  300   1HG   LYS  44          1HG       LYS  44   3.569  -7.696  -0.906
  301   2HG   LYS  44          2HG       LYS  44   1.996  -8.484  -1.037
  302   1HD   LYS  44          1HD       LYS  44   2.049  -7.881  -3.219
  303   2HD   LYS  44          2HD       LYS  44   1.710  -6.247  -2.649
  304   1HE   LYS  44          1HE       LYS  44   3.690  -5.671  -3.623
  305   2HE   LYS  44          2HE       LYS  44   4.466  -6.522  -2.276
  306   1HZ   LYS  44          1HZ       LYS  44   5.017  -7.340  -4.608
  307   2HZ   LYS  44          2HZ       LYS  44   3.431  -7.948  -4.661
  308   3HZ   LYS  44          3HZ       LYS  44   4.523  -8.517  -3.490
  309   1H    ACE  45          1H        ACE  45   6.593  15.643   2.077
  310   2H    ACE  45          2H        ACE  45   5.794  14.840   3.429
  311   3H    ACE  45          3H        ACE  45   5.956  14.010   1.882
  312    HA   PRO  46           HA       PRO  46   8.962  12.219   1.781
  313   1HB   PRO  46          2HB       PRO  46   8.666   9.776   2.974
  314   2HB   PRO  46          1HB       PRO  46   9.912  10.942   3.460
  315   1HG   PRO  46          2HG       PRO  46   7.294  10.331   4.731
  316   2HG   PRO  46          1HG       PRO  46   8.857  10.689   5.480
  317   1HD   PRO  46          2HD       PRO  46   6.843  12.510   5.268
  318   2HD   PRO  46          1HD       PRO  46   8.563  12.950   5.326
  319    H    LEU  47           H        LEU  47   6.015  10.885   3.337
  320    HA   LEU  47           HA       LEU  47   5.087   9.260   1.247
  321   1HB   LEU  47          2HB       LEU  47   4.201   9.526   3.585
  322   2HB   LEU  47          1HB       LEU  47   3.445  11.037   3.076
  323    HG   LEU  47           HG       LEU  47   2.916   8.646   1.383
  324   1HD1  LEU  47          1HD2      LEU  47   0.920   8.323   3.155
  325   2HD1  LEU  47          2HD2      LEU  47   2.177   8.872   4.262
  326   3HD1  LEU  47          3HD2      LEU  47   2.436   7.431   3.280
  327   1HD2  LEU  47          1HD1      LEU  47   1.953  10.872   0.903
  328   2HD2  LEU  47          2HD1      LEU  47   1.189  10.881   2.493
  329   3HD2  LEU  47          3HD1      LEU  47   0.688   9.700   1.280
  330    HA   PRO  48           HA       PRO  48   4.289  12.374  -1.849
  331   1HB   PRO  48          2HB       PRO  48   3.089  10.746  -3.694
  332   2HB   PRO  48          1HB       PRO  48   4.843  10.792  -3.437
  333   1HG   PRO  48          1HG       PRO  48   2.831   8.821  -2.472
  334   2HG   PRO  48          2HG       PRO  48   4.484   8.557  -3.038
  335   1HD   PRO  48          2HD       PRO  48   3.754   8.590  -0.399
  336   2HD   PRO  48          1HD       PRO  48   5.385   8.978  -0.984
  337    HA   PRO  49           HA       PRO  49   0.053  13.251  -0.791
  338   1HB   PRO  49          2HB       PRO  49  -0.292  15.458  -2.371
  339   2HB   PRO  49          1HB       PRO  49   0.623  15.491  -0.852
  340   1HG   PRO  49          2HG       PRO  49   1.602  15.379  -3.661
  341   2HG   PRO  49          1HG       PRO  49   2.267  16.244  -2.268
  342   1HD   PRO  49          2HD       PRO  49   3.268  13.879  -3.238
  343   2HD   PRO  49          1HD       PRO  49   3.463  14.431  -1.561
  344    H    TYR  50           H        TYR  50  -1.771  12.298  -1.646
  345    HA   TYR  50           HA       TYR  50  -1.834  11.048  -4.207
  346   1HB   TYR  50          2HB       TYR  50  -3.216  10.662  -2.063
  347   2HB   TYR  50          1HB       TYR  50  -4.234  11.987  -2.625
  348    HD1  TYR  50           1HD      TYR  50  -3.832   8.506  -2.689
  349    HD2  TYR  50           2HD      TYR  50  -4.893  11.802  -5.229
  350    HE1  TYR  50           1HE      TYR  50  -5.018   6.951  -4.212
  351    HE2  TYR  50           2HE      TYR  50  -6.079  10.248  -6.752
  352    HH   TYR  50           HH       TYR  50  -5.731   7.489  -7.198